A0A077Z4A2_TRITR Loading...

Putative alpha-L-fucosidase

Alpha-L-fucosidase is responsible for hydrolyzing the alpha-1,6-linked fucose joined to the reducing-end N-acetylglucosamine of the carbohydrate moieties of glycoproteins.

AlphaFold DB , UniProt , Accession A0A077Z4A2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 471 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	42.8	Very low	228 Å²	228	161.6 Å²	161.6	100%	1.123	78%	0.783	S	S	*	*				0	89.3	0	-158.6	171.2	80.6	0	0	106.2	M3	M1-M3 PolarHBondContact O-N 3.2Å
2	E	37.8	Very low	42.7	Very low	173 Å²	173	159.3 Å²	159.3	81%	0.808	77%	0.774	S	S	*	*			trans	-74.6	118	-178.9	-73.2	173.6	153.3	0	0	109
3	M	40.1	Very low	42.7	Very low	149 Å²	149	155.5 Å²	155.5	73%	0.734	77%	0.774	S	S	*	*			trans	-108.1	88.6	173	-115.4	179.5	67.9	0	0	107.9	M1 L5	M1-M3 PolarHBondContact O-N 3.2Å; M3-L5 HydrophobicContact CE-CD1 3.8Å; M3-L5 PolarHBondContact O-N 3.49Å; M3-L5 VanDerWaalsContact O-N 3.15Å
4	H	42.9	Very low	43.1	Very low	157 Å²	157	150.2 Å²	150.2	73%	0.727	76%	0.758	S	S	*	*			trans	-72.1	100.9	167.8	-74.2	-69.8	0	0	0	108.8	L6	H4-L6 PolarHBondContact O-N 3.46Å
5	L	47.6	Very low	43.5	Very low	123 Å²	123	146.7 Å²	146.7	64%	0.644	76%	0.762	S	S	*	*			trans	-67.9	99.3	166.6	-114.5	83.4	0	0	0	108.3	M3 W7	M3-L5 HydrophobicContact CE-CD1 3.8Å; M3-L5 PolarHBondContact O-N 3.49Å; M3-L5 VanDerWaalsContact O-N 3.15Å; L5-W7 PolarHBondContact O-N 3.04Å; L5-W7 VanDerWaalsContact O-N 3.15Å
6	L	44	Very low	44.6	Very low	154 Å²	154	146.3 Å²	146.3	81%	0.806	75%	0.752	S	S	*	*			trans	-69.2	101.3	167.1	-80.4	156.7	0	0	0	108.6	H4 N8	H4-L6 PolarHBondContact O-N 3.46Å; L6-N8 PolarHBondContact O-N 3.31Å; L6-N8 VanDerWaalsContact O-N 3.08Å
7	W	50.3	Low	46.5	Very low	219 Å²	219	142.8 Å²	142.8	83%	0.83	75%	0.75	S	S	*	*			trans	-72.3	95.3	166.6	-79	59.2	0	0	0	108.4	L5 V9	L5-W7 PolarHBondContact O-N 3.04Å; L5-W7 VanDerWaalsContact O-N 3.15Å; W7-V9 VanDerWaalsContact C-N 3.34Å; W7-V9 PolarHBondContact O-N 3.1Å
8	N	39.6	Very low	49.1	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	74%	0.742	S	S	*	*			trans	-66.4	95.6	164	-80.2	-40.5	0	0	0	108.2	L6 I10	L6-N8 PolarHBondContact O-N 3.31Å; L6-N8 VanDerWaalsContact O-N 3.08Å; N8-I10 PolarHBondContact O-N 3.18Å
9	V	43.7	Very low	51.6	Low	104 Å²	104	136.6 Å²	136.6	63%	0.63	71%	0.709	S	S	*	*			trans	-72.6	97	165.2	-179.8	0	0	0	0	106.7	W7 F11	W7-V9 VanDerWaalsContact C-N 3.34Å; W7-V9 PolarHBondContact O-N 3.1Å; V9-F11 HydrophobicContact CG1-CD2 4.19Å; V9-F11 HydrophobicContact CG1-CE2 4.09Å; V9-F11 PolarHBondContact O-N 2.75Å
10	I	40.2	Very low	53.9	Low	139 Å²	139	135 Å²	135	71%	0.713	70%	0.701	S	S	*	*			trans	-67.8	101.4	168.6	-60.3	173.6	0	0	0	106.2	N8 I12	N8-I10 PolarHBondContact O-N 3.18Å; I10-I12 HydrophobicContact CG2-CG1 3.84Å; I10-I12 PolarHBondContact O-N 2.99Å
11	F	42.5	Very low	56	Low	188 Å²	188	131.1 Å²	131.1	83%	0.825	68%	0.684	S	S	*	*			trans	-67.9	92.7	160.9	-83.7	-87.4	0	0	0	106.9	V9 S13	V9-F11 HydrophobicContact CG1-CD2 4.19Å; V9-F11 HydrophobicContact CG1-CE2 4.09Å; V9-F11 PolarHBondContact O-N 2.75Å; F11-S13 PolarHBondContact O-N 2.74Å
12	I	41.7	Very low	58.7	Low	133 Å²	133	123.4 Å²	123.4	68%	0.682	65%	0.65	S	S	*	*			trans	-65.4	95.9	161.7	-58.5	176.1	0	0	0	104.6	I10 C14	I10-I12 HydrophobicContact CG2-CG1 3.84Å; I10-I12 PolarHBondContact O-N 2.99Å; I12-C14 PolarHBondContact O-N 2.77Å
13	S	43.6	Very low	61.5	Low	110 Å²	110	116.7 Å²	116.7	77%	0.769	62%	0.617	S	S	*	*			trans	-67.3	90.1	160.1	69.7	0	0	0	0	105.4	F11 A15	F11-S13 PolarHBondContact O-N 2.74Å; S13-A15 VanDerWaalsContact C-N 3.26Å; S13-A15 PolarHBondContact O-N 3.18Å
14	C	47.7	Very low	64.2	Low	82 Å²	82	116.5 Å²	116.5	55%	0.554	62%	0.619	S	S	*	*			trans	-56.8	104.1	160.2	-77.3	0	0	0	0	105.1	I12 F16	I12-C14 PolarHBondContact O-N 2.77Å; C14-F16 HydrophobicContact CB-CD2 3.89Å; C14-F16 HydrophobicContact CB-CE2 3.84Å; C14-F16 PolarHBondContact O-N 3.1Å
15	A	49.4	Very low	66.9	Low	98 Å²	98	110.1 Å²	110.1	81%	0.81	59%	0.592	S	S	*	*			trans	-62.5	84.9	157.8	0	0	0	0	0	104.8	S13 A17	S13-A15 VanDerWaalsContact C-N 3.26Å; S13-A15 PolarHBondContact O-N 3.18Å; A15-A17 PolarHBondContact O-N 3.49Å; A15-A17 VanDerWaalsContact O-N 3.09Å
16	F	60.6	Low	69.3	Low	140 Å²	140	104.6 Å²	104.6	61%	0.614	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-53.6	121.9	171.5	-85.7	-89.2	0	0	0	105.6	C14 K18	C14-F16 HydrophobicContact CB-CD2 3.89Å; C14-F16 HydrophobicContact CB-CE2 3.84Å; C14-F16 PolarHBondContact O-N 3.1Å; F16-K18 PolarHBondContact O-N 2.91Å
17	A	77.5	Confident	71.8	Confident	86 Å²	86	100 Å²	100	71%	0.711	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-50.4	141.3	169.7	0	0	0	0	0	108	A15 Y19	A15-A17 PolarHBondContact O-N 3.49Å; A15-A17 VanDerWaalsContact O-N 3.09Å; A17-Y19 PolarHBondContact O-N 2.82Å
18	K	92.8	Very high	73.9	Confident	139 Å²	139	93.3 Å²	93.3	60%	0.604	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-55.3	135.9	178.1	-73.1	-164.7	173.4	-151.8	0	109.7	F16 L20 N235 D236	F16-K18 PolarHBondContact O-N 2.91Å; K18-L20 PolarHBondContact O-N 2.91Å; K18-N235 VanDerWaalsContact CA-OD1 3.29Å; K18-N235 WeakPolarHBondContact CA-OD1 3.4Å; K18-D236 IonicContact NZ-OD1 2.77Å; K18-D236 PolarHBondContact NZ-OD1 3.21Å
19	Y	96.8	Very high	76.6	Confident	29 Å²	29	87.8 Å²	87.8	11%	0.114	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-66	129.7	173.2	-61.9	-74.5	0	0	0	109.8	A17 S25 R29 N235	A17-Y19 PolarHBondContact O-N 2.82Å; Y19-S25 WeakPolarHBondContact CA-OG 3.28Å; Y19-S25 WeakPolarHBondContact CD1-O 3.3Å; Y19-R29 HydrophobicContact CD1-CB 4.2Å; Y19-R29 HydrophobicContact CE1-CB 3.53Å; Y19-R29 HydrophobicContact CE1-CG 4.07Å; Y19-R29 HydrophobicContact CE2-CB 4.39Å; Y19-R29 HydrophobicContact CE2-CG 4.09Å; Y19-R29 WeakPolarHBondContact OH-CG 2.81Å; Y19-N235 PolarHBondContact N-ND2 2.9Å; Y19-N235 PolarHBondContact N-OD1 2.74Å; Y19-N235 PolarHBondContact O-ND2 3.46Å
20	L	98	Very high	79	Confident	105 Å²	105	86.5 Å²	86.5	55%	0.55	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-82.2	155	176	-60.7	178.1	0	0	0	110.1	K18 T22 S25	K18-L20 PolarHBondContact O-N 2.91Å; L20-T22 PolarHBondContact O-N 2.85Å; L20-S25 PolarHBondContact N-OG 2.83Å
21	P	97.8	Very high	81.5	Confident	53 Å²	53	82 Å²	82	34%	0.344	47%	0.465	S	S	.	.	S	Bend	trans	-76.2	54.3	176.5	34.7	-37.6	0	0	0	111.7	T227 A231	P21-T227 WeakPolarHBondContact O-CB 3.48Å; P21-T227 PolarHBondContact O-OG1 2.94Å; P21-A231 HydrophobicContact CB-CB 4.04Å
22	T	97.9	Very high	84	Confident	66 Å²	66	73.6 Å²	73.6	41%	0.405	43%	0.43	S	S	.	.	S	Bend	trans	-137.7	139.4	-179.8	57.6	0	0	0	0	108.5	L20 D24 S25 L26	L20-T22 PolarHBondContact O-N 2.85Å; T22-D24 PolarHBondContact O-N 2.88Å; T22-S25 PolarHBondContact O-N 2.99Å; T22-S25 WeakPolarHBondContact OG1-CB 3.39Å; T22-L26 WeakPolarHBondContact O-CG 3.34Å; T22-L26 PolarHBondContact O-N 3.01Å
23	W	97.7	Very high	86.5	Confident	32 Å²	32	71.7 Å²	71.7	12%	0.121	43%	0.426	C	S	.	.	H	α-helix	trans	-54.1	-46.1	-178	-69.4	123.6	0	0	0	113.6	S25 L26 D27 D221 T227 L230 W249 T253 H257	W23-S25 PolarHBondContact O-N 2.68Å; W23-S25 VanDerWaalsContact O-N 3.09Å; W23-L26 HydrophobicContact CE3-CB 4.48Å; W23-L26 HydrophobicContact CE3-CD1 4.2Å; W23-L26 HydrophobicContact CZ3-CD1 4.32Å; W23-L26 PolarHBondContact O-N 3.5Å; W23-D27 WeakPolarHBondContact O-CB 3.39Å; W23-D27 PolarHBondContact O-N 3.33Å; W23-D221 HydrophobicContact CZ2-CB 3.74Å; W23-T227 HydrophobicContact CD2-CG2 3.97Å; W23-T227 HydrophobicContact CE3-CG2 4.46Å; W23-T227 HydrophobicContact CG-CG2 4.44Å; W23-T227 HydrophobicContact CH2-CG2 4.3Å; W23-T227 HydrophobicContact CZ2-CG2 3.79Å; W23-L230 HydrophobicContact CH2-CD1 3.8Å; W23-L230 HydrophobicContact CZ3-CD1 3.67Å; W23-W249 HydrophobicContact CH2-CB 3.95Å; W23-T253 HydrophobicContact CH2-CG2 4.07Å; W23-T253 HydrophobicContact CZ2-CG2 3.51Å; W23-H257 VanDerWaalsContact CB-CE1 3.48Å; W23-H257 WeakPolarHBondContact CB-CE1 3.32Å; W23-H257 AromaticContact CD1-CD2 3.85Å; W23-H257 AromaticContact CD1-CE1 3.9Å; W23-H257 AromaticContact CD1-NE2 3.61Å; W23-H257 HydrophobicContact CD2-CB 3.84Å; W23-H257 AromaticContact CD2-CD2 3.75Å; W23-H257 AromaticContact CD2-CG 3.5Å; W23-H257 VanDerWaalsContact CD2-CG 3.5Å; W23-H257 AromaticContact CD2-ND1 3.77Å; W23-H257 AromaticContact CE2-CD2 3.79Å; W23-H257 AromaticContact CE2-CG 3.94Å; W23-H257 HydrophobicContact CE3-CB 3.48Å; W23-H257 VanDerWaalsContact CE3-CB 3.48Å; W23-H257 AromaticContact CE3-CG 3.66Å; W23-H257 AromaticContact CE3-ND1 3.98Å; W23-H257 AromaticContact CG-CD2 3.81Å; W23-H257 AromaticContact CG-CE1 3.56Å; W23-H257 AromaticContact CG-CG 3.76Å; W23-H257 AromaticContact CG-ND1 3.59Å; W23-H257 AromaticContact CG-NE2 3.7Å; W23-H257 HydrophobicContact CH2-CB 4.05Å; W23-H257 HydrophobicContact CZ2-CB 4.35Å; W23-H257 HydrophobicContact CZ3-CB 3.61Å; W23-H257 AromaticContact NE1-CD2 3.85Å
24	D	97	Very high	89	Confident	146 Å²	146	67.4 Å²	67.4	78%	0.781	39%	0.393	S	S	*	.	H	α-helix	trans	-52.7	-38	176.3	-67.1	-9.1	0	0	0	113.5	T22 S28	T22-D24 PolarHBondContact O-N 2.88Å; D24-S28 WeakPolarHBondContact O-CB 3.43Å; D24-S28 PolarHBondContact O-N 3.14Å
25	S	97.5	Very high	91.4	Very high	23 Å²	23	63.5 Å²	63.5	16%	0.161	37%	0.367	C	S	.	.	H	α-helix	trans	-78.5	-44.5	177.7	-173.4	0	0	0	0	111.7	Y19 L20 T22 W23 S28	Y19-S25 WeakPolarHBondContact CA-OG 3.28Å; Y19-S25 WeakPolarHBondContact CD1-O 3.3Å; L20-S25 PolarHBondContact N-OG 2.83Å; T22-S25 PolarHBondContact O-N 2.99Å; T22-S25 WeakPolarHBondContact OG1-CB 3.39Å; W23-S25 PolarHBondContact O-N 2.68Å; W23-S25 VanDerWaalsContact O-N 3.09Å; S25-S28 PolarHBondContact O-N 2.99Å; S25-S28 PolarHBondContact O-OG 2.9Å
26	L	98	Very high	93.5	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-66.1	-43.4	-178.1	-64.7	171.7	0	0	0	111.9	T22 W23 S28 R29 T227 L230 A231 Y234	T22-L26 WeakPolarHBondContact O-CG 3.34Å; T22-L26 PolarHBondContact O-N 3.01Å; W23-L26 HydrophobicContact CE3-CB 4.48Å; W23-L26 HydrophobicContact CE3-CD1 4.2Å; W23-L26 HydrophobicContact CZ3-CD1 4.32Å; W23-L26 PolarHBondContact O-N 3.5Å; L26-S28 PolarHBondContact O-N 2.58Å; L26-R29 WeakPolarHBondContact O-CB 3.2Å; L26-R29 PolarHBondContact O-N 2.96Å; L26-R29 VanDerWaalsContact O-N 3.13Å; L26-T227 HydrophobicContact CD1-CG2 4.08Å; L26-L230 HydrophobicContact CD1-CB 3.86Å; L26-L230 HydrophobicContact CD1-CD1 4.22Å; L26-L230 HydrophobicContact CD2-CB 4.02Å; L26-A231 HydrophobicContact CD2-CB 4.17Å; L26-Y234 HydrophobicContact CD2-CD2 3.86Å; L26-Y234 HydrophobicContact CD2-CE2 4.19Å
27	D	96.8	Very high	95.1	Very high	57 Å²	57	58.7 Å²	58.7	31%	0.305	33%	0.331	S	S	.	.	H	α-helix	trans	-71.9	-18.2	179.9	-64.2	-21.8	0	0	0	112	W23 R29 H257 G258	W23-D27 WeakPolarHBondContact O-CB 3.39Å; W23-D27 PolarHBondContact O-N 3.33Å; D27-R29 PolarHBondContact O-N 2.83Å; D27-H257 IonicContact OD2-CE1 3.92Å; D27-H257 IonicContact OD2-CG 3.89Å; D27-H257 IonicContact OD2-ND1 3.42Å; D27-H257 PolarHBondContact OD2-ND1 2.92Å; D27-G258 PolarHBondContact OD1-N 3.19Å
28	S	95.6	Very high	96.1	Very high	79 Å²	79	54.7 Å²	54.7	55%	0.552	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.9	171.4	79.4	0	0	0	0	113.7	D24 S25 L26	D24-S28 WeakPolarHBondContact O-CB 3.43Å; D24-S28 PolarHBondContact O-N 3.14Å; S25-S28 PolarHBondContact O-N 2.99Å; S25-S28 PolarHBondContact O-OG 2.9Å; L26-S28 PolarHBondContact O-N 2.58Å
29	R	95.4	Very high	96.3	Very high	28 Å²	28	48.1 Å²	48.1	11%	0.106	27%	0.269	C	S	.	.	S	Bend	trans	-68	122.8	-179	178.6	168.7	174.5	-86.8	3.3	110.4	Y19 L26 D27 K240 V243	Y19-R29 HydrophobicContact CD1-CB 4.2Å; Y19-R29 HydrophobicContact CE1-CB 3.53Å; Y19-R29 HydrophobicContact CE1-CG 4.07Å; Y19-R29 HydrophobicContact CE2-CB 4.39Å; Y19-R29 HydrophobicContact CE2-CG 4.09Å; Y19-R29 WeakPolarHBondContact OH-CG 2.81Å; L26-R29 WeakPolarHBondContact O-CB 3.2Å; L26-R29 PolarHBondContact O-N 2.96Å; L26-R29 VanDerWaalsContact O-N 3.13Å; D27-R29 PolarHBondContact O-N 2.83Å; R29-K240 PolarHBondContact NH2-O 3.31Å; R29-V243 PolarHBondContact NH1-O 2.84Å; R29-V243 PolarHBondContact NH2-O 3.37Å
30	P	93.5	Very high	96.4	Very high	78 Å²	78	46.7 Å²	46.7	51%	0.506	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-66	141	174.8	28.3	-34.3	0	0	0	110.7
31	L	93.8	Very high	96.5	Very high	44 Å²	44	41.7 Å²	41.7	23%	0.23	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65.1	138.6	170	-79.5	176.2	0	0	0	110.8	F35 V244 G259 K276	L31-F35 HydrophobicContact CD1-CD1 4.21Å; L31-F35 HydrophobicContact CD2-CD1 4.44Å; L31-V244 HydrophobicContact CD2-CB 4.14Å; L31-V244 HydrophobicContact CD2-CG1 3.58Å; L31-G259 VanDerWaalsContact CD1-O 3.28Å; L31-G259 WeakPolarHBondContact CD1-O 3.45Å; L31-G259 WeakPolarHBondContact CD2-O 3.49Å; L31-G259 WeakPolarHBondContact CG-O 3.35Å; L31-K276 HydrophobicContact CD1-CB 3.47Å; L31-K276 VanDerWaalsContact CD1-CB 3.47Å; L31-K276 HydrophobicContact CD1-CG 3.62Å
32	P	95.3	Very high	96.5	Very high	12 Å²	12	39.2 Å²	39.2	8%	0.078	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-62.3	131.7	171.6	28.5	-33.6	0	0	0	109.1	W34 F35 T242 V244	P32-W34 PolarHBondContact O-N 2.81Å; P32-F35 PolarHBondContact O-N 2.95Å; P32-T242 WeakPolarHBondContact CG-O 3.38Å; P32-V244 VanDerWaalsContact CD-CG1 3.41Å; P32-V244 HydrophobicContact CG-CG1 3.41Å; P32-V244 VanDerWaalsContact CG-CG1 3.41Å
33	P	93.5	Very high	96.5	Very high	92 Å²	92	36 Å²	36	60%	0.597	20%	0.202	S	C	*	.	H	α-helix	trans	-56.5	-28.2	-169.1	-29.5	34.5	0	0	0	114.9	F35 D36 Q37	P33-F35 PolarHBondContact O-N 2.89Å; P33-D36 PolarHBondContact O-N 2.58Å; P33-Q37 WeakPolarHBondContact O-CB 3.46Å; P33-Q37 WeakPolarHBondContact O-CG 3.42Å; P33-Q37 PolarHBondContact O-N 2.93Å; P33-Q37 VanDerWaalsContact O-N 3.08Å
34	W	96.1	Very high	96.6	Very high	21 Å²	21	34.5 Å²	34.5	8%	0.08	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-34.7	-179.5	76.1	-103.9	0	0	0	112.3	P32 Q37 A38 Y115 R162 E209 I210 T242 V244	P32-W34 PolarHBondContact O-N 2.81Å; W34-Q37 PolarHBondContact O-N 2.94Å; W34-A38 HydrophobicContact CE3-CB 4.13Å; W34-A38 HydrophobicContact CZ3-CB 4.35Å; W34-A38 VanDerWaalsContact O-CB 3.22Å; W34-A38 WeakPolarHBondContact O-CB 3.33Å; W34-A38 PolarHBondContact O-N 2.93Å; W34-Y115 HydrophobicContact CZ3-CD1 4.41Å; W34-Y115 HydrophobicContact CZ3-CG 4.34Å; W34-R162 VanDerWaalsContact CB-NH2 3.33Å; W34-R162 HydrophobicContact CE3-CG 4.41Å; W34-R162 HydrophobicContact CH2-CB 4.48Å; W34-R162 HydrophobicContact CZ3-CB 4.33Å; W34-R162 VanDerWaalsContact CZ3-CD 3.45Å; W34-E209 HydrophobicContact CZ2-CB 4.02Å; W34-E209 WeakPolarHBondContact CZ2-O 3.19Å; W34-I210 HydrophobicContact CH2-CD1 3.91Å; W34-I210 HydrophobicContact CH2-CG1 3.7Å; W34-I210 HydrophobicContact CZ2-CG1 4.29Å; W34-T242 PolarHBondContact NE1-O 3.39Å; W34-V244 HydrophobicContact CH2-CG2 4.23Å; W34-V244 HydrophobicContact CZ2-CG1 4.38Å; W34-V244 HydrophobicContact CZ2-CG2 4.09Å
35	F	97.5	Very high	96.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-45	-174	-176.6	-111.4	0	0	0	110.2	L31 P32 P33 Q37 A38 Y115 I210 V244 F260 K276 N318	L31-F35 HydrophobicContact CD1-CD1 4.21Å; L31-F35 HydrophobicContact CD2-CD1 4.44Å; P32-F35 PolarHBondContact O-N 2.95Å; P33-F35 PolarHBondContact O-N 2.89Å; F35-Q37 VanDerWaalsContact C-N 3.33Å; F35-Q37 PolarHBondContact O-N 3Å; F35-A38 PolarHBondContact O-N 3.02Å; F35-Y115 HydrophobicContact CE2-CE2 4.4Å; F35-I210 HydrophobicContact CE2-CD1 4.38Å; F35-V244 HydrophobicContact CB-CG1 3.93Å; F35-V244 HydrophobicContact CD1-CG1 4.4Å; F35-V244 HydrophobicContact CD2-CG2 3.72Å; F35-V244 HydrophobicContact CE2-CG2 3.94Å; F35-V244 HydrophobicContact CG-CB 4.47Å; F35-V244 HydrophobicContact CG-CG1 4.04Å; F35-V244 HydrophobicContact CG-CG2 4.04Å; F35-V244 HydrophobicContact CZ-CG2 4.44Å; F35-F260 HydrophobicContact CD1-CD1 4.36Å; F35-F260 HydrophobicContact CE1-CB 3.81Å; F35-F260 AromaticContact CE1-CD1 3.49Å; F35-F260 HydrophobicContact CE1-CD1 3.49Å; F35-F260 VanDerWaalsContact CE1-CD1 3.49Å; F35-F260 HydrophobicContact CE1-CD2 4.29Å; F35-F260 HydrophobicContact CE1-CE1 4.09Å; F35-F260 AromaticContact CE1-CG 3.6Å; F35-F260 HydrophobicContact CE1-CG 3.6Å; F35-F260 HydrophobicContact CE2-CD1 4.48Å; F35-F260 HydrophobicContact CE2-CE1 4.29Å; F35-F260 HydrophobicContact CZ-CB 4.43Å; F35-F260 AromaticContact CZ-CD1 3.56Å; F35-F260 HydrophobicContact CZ-CD1 3.56Å; F35-F260 HydrophobicContact CZ-CD2 4.07Å; F35-F260 AromaticContact CZ-CE1 3.68Å; F35-F260 HydrophobicContact CZ-CE1 3.68Å; F35-F260 HydrophobicContact CZ-CE2 4.17Å; F35-F260 AromaticContact CZ-CG 3.76Å; F35-F260 HydrophobicContact CZ-CG 3.76Å; F35-F260 AromaticContact CZ-CZ 3.99Å; F35-F260 HydrophobicContact CZ-CZ 3.99Å; F35-K276 HydrophobicContact CD1-CG 4.2Å; F35-K276 HydrophobicContact CE1-CG 3.98Å; F35-N318 WeakPolarHBondContact CE2-ND2 3.31Å; F35-N318 WeakPolarHBondContact CZ-ND2 3.37Å; F35-N318 PolarHBondContact O-ND2 3.35Å
36	D	94	Very high	96.7	Very high	55 Å²	55	26.9 Å²	26.9	29%	0.294	15%	0.153	S	C	.	.	H	α-helix	trans	-66.8	-34.9	173.9	-175.9	56.5	0	0	0	112.5	P33 A38 K39 K276	P33-D36 PolarHBondContact O-N 2.58Å; D36-A38 VanDerWaalsContact C-N 3.29Å; D36-A38 PolarHBondContact O-N 3.47Å; D36-K39 WeakPolarHBondContact O-CD 3.42Å; D36-K39 WeakPolarHBondContact O-CE 3.39Å; D36-K39 PolarHBondContact O-NZ 3.24Å; D36-K39 IonicContact OD1-NZ 3.42Å; D36-K39 PolarHBondContact OD1-NZ 3Å; D36-K39 IonicContact OD2-NZ 3.43Å; D36-K39 PolarHBondContact OD2-NZ 2.81Å; D36-K276 IonicContact OD1-NZ 2.78Å; D36-K276 PolarHBondContact OD1-NZ 3.26Å
37	Q	95.1	Very high	96.7	Very high	81 Å²	81	26.7 Å²	26.7	38%	0.379	15%	0.152	S	C	.	.	H	α-helix	trans	-71.7	-23.3	178.3	-68.9	166.6	4.4	0	0	113.6	P33 W34 F35 R114 E355	P33-Q37 WeakPolarHBondContact O-CB 3.46Å; P33-Q37 WeakPolarHBondContact O-CG 3.42Å; P33-Q37 PolarHBondContact O-N 2.93Å; P33-Q37 VanDerWaalsContact O-N 3.08Å; W34-Q37 PolarHBondContact O-N 2.94Å; F35-Q37 VanDerWaalsContact C-N 3.33Å; F35-Q37 PolarHBondContact O-N 3Å; Q37-R114 PolarHBondContact O-NH1 2.77Å; Q37-E355 HydrophobicContact CB-CG 3.79Å; Q37-E355 HydrophobicContact CG-CG 3.91Å; Q37-E355 PolarHBondContact O-N 3.5Å
38	A	97.2	Very high	96.8	Very high	3 Å²	3	24 Å²	24	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-73.8	-39.4	-171	0	0	0	0	0	113.2	W34 F35 D36 F40 R114 Y115 F354	W34-A38 HydrophobicContact CE3-CB 4.13Å; W34-A38 HydrophobicContact CZ3-CB 4.35Å; W34-A38 VanDerWaalsContact O-CB 3.22Å; W34-A38 WeakPolarHBondContact O-CB 3.33Å; W34-A38 PolarHBondContact O-N 2.93Å; F35-A38 PolarHBondContact O-N 3.02Å; D36-A38 VanDerWaalsContact C-N 3.29Å; D36-A38 PolarHBondContact O-N 3.47Å; A38-F40 PolarHBondContact O-N 3.36Å; A38-R114 HydrophobicContact CB-CB 3.83Å; A38-R114 WeakPolarHBondContact O-CD 3.48Å; A38-Y115 HydrophobicContact CB-CD1 3.77Å; A38-Y115 HydrophobicContact CB-CE1 4.05Å; A38-F354 WeakPolarHBondContact O-CD1 3.38Å; A38-F354 WeakPolarHBondContact O-CE1 3.18Å
39	K	98.2	Very high	96.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.			trans	56.6	-28.7	177.3	-54.6	-60.3	-172.5	-164.4	0	117.9	D36 V313 N318 F319 I353 F354 T356	D36-K39 WeakPolarHBondContact O-CD 3.42Å; D36-K39 WeakPolarHBondContact O-CE 3.39Å; D36-K39 PolarHBondContact O-NZ 3.24Å; D36-K39 IonicContact OD1-NZ 3.42Å; D36-K39 PolarHBondContact OD1-NZ 3Å; D36-K39 IonicContact OD2-NZ 3.43Å; D36-K39 PolarHBondContact OD2-NZ 2.81Å; K39-V313 HydrophobicContact CB-CG2 4.1Å; K39-V313 HydrophobicContact CD-CG1 4.2Å; K39-V313 HydrophobicContact CG-CG1 4.46Å; K39-N318 WeakPolarHBondContact CA-OD1 3.44Å; K39-N318 CarbonylContact O-C 3.52Å; K39-N318 WeakPolarHBondContact O-CA 3.34Å; K39-F319 PolarHBondContact O-N 2.92Å; K39-I353 HydrophobicContact CB-CG2 4.1Å; K39-I353 WeakPolarHBondContact CG-O 3.41Å; K39-F354 HydrophobicContact CB-CD1 4.33Å; K39-T356 WeakPolarHBondContact CE-O 3.18Å; K39-T356 PolarHBondContact NZ-O 2.78Å
40	F	98.8	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	126.9	-175.1	-174.9	-136.6	0	0	0	111.9	A38 I42 S111 A113 R114 Y115 F309 F319 L321 I342 L346 F354	A38-F40 PolarHBondContact O-N 3.36Å; F40-I42 HydrophobicContact CE1-CD1 4.22Å; F40-I42 HydrophobicContact CE2-CD1 4.12Å; F40-I42 HydrophobicContact CZ-CD1 3.61Å; F40-S111 WeakPolarHBondContact CE1-O 3.37Å; F40-A113 VanDerWaalsContact CD1-CA 3.49Å; F40-A113 HydrophobicContact CD1-CB 3.82Å; F40-A113 HydrophobicContact CE1-CB 3.91Å; F40-A113 HydrophobicContact CG-CB 4.44Å; F40-R114 PolarHBondContact O-N 2.86Å; F40-Y115 VanDerWaalsContact O-CD1 3.31Å; F40-Y115 WeakPolarHBondContact O-CD1 3.48Å; F40-Y115 WeakPolarHBondContact O-CE1 3.29Å; F40-F309 HydrophobicContact CB-CE1 4.45Å; F40-F309 HydrophobicContact CB-CE2 3.98Å; F40-F309 HydrophobicContact CB-CZ 3.62Å; F40-F309 HydrophobicContact CD2-CE2 4.41Å; F40-F309 HydrophobicContact CD2-CZ 4.29Å; F40-F309 HydrophobicContact CG-CE1 4.35Å; F40-F309 HydrophobicContact CG-CE2 4.42Å; F40-F309 AromaticContact CG-CZ 3.97Å; F40-F309 HydrophobicContact CG-CZ 3.97Å; F40-F319 WeakPolarHBondContact CA-O 3.47Å; F40-F319 HydrophobicContact CD2-CB 4.45Å; F40-F319 AromaticContact CD2-CD1 3.92Å; F40-F319 HydrophobicContact CD2-CD1 3.92Å; F40-F319 WeakPolarHBondContact CD2-O 3.31Å; F40-F319 AromaticContact CE2-CD1 3.85Å; F40-F319 HydrophobicContact CE2-CD1 3.85Å; F40-F319 HydrophobicContact CE2-CE1 4.41Å; F40-L321 HydrophobicContact CE2-CB 3.82Å; F40-L321 HydrophobicContact CE2-CD2 4.35Å; F40-L321 HydrophobicContact CZ-CB 4.42Å; F40-L321 HydrophobicContact CZ-CD2 4.35Å; F40-I342 HydrophobicContact CE1-CG2 3.91Å; F40-I342 HydrophobicContact CZ-CD1 4.38Å; F40-I342 HydrophobicContact CZ-CG2 4.03Å; F40-L346 HydrophobicContact CD1-CD1 4.14Å; F40-L346 HydrophobicContact CE1-CD1 4.5Å; F40-F354 HydrophobicContact CB-CE1 4.14Å
41	G	98.9	Very high	97.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161.7	174.7	0	0	0	0	0	112.4	Y115 F319 L320 L321	G41-Y115 CarbonylContact C-O 3.56Å; G41-Y115 WeakPolarHBondContact CA-O 3.48Å; G41-Y115 VanDerWaalsContact N-CE1 3.29Å; G41-F319 PolarHBondContact N-O 2.97Å; G41-L320 WeakPolarHBondContact O-CA 3.42Å; G41-L321 PolarHBondContact O-N 3.27Å
42	I	98.9	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.3	172.4	-60.4	-51.5	0	0	0	110	F40 V108 A113 Y115 F116 V117 L320 L321 V323 L339	F40-I42 HydrophobicContact CE1-CD1 4.22Å; F40-I42 HydrophobicContact CE2-CD1 4.12Å; F40-I42 HydrophobicContact CZ-CD1 3.61Å; I42-V108 HydrophobicContact CB-CG1 4.14Å; I42-V108 HydrophobicContact CB-CG2 4.39Å; I42-V108 HydrophobicContact CG1-CG1 3.83Å; I42-V108 HydrophobicContact CG1-CG2 4.39Å; I42-V108 HydrophobicContact CG2-CG2 4.31Å; I42-A113 HydrophobicContact CD1-CB 4.16Å; I42-A113 HydrophobicContact CG1-CB 3.63Å; I42-Y115 PolarHBondContact N-O 2.92Å; I42-F116 HydrophobicContact CB-CD2 3.99Å; I42-F116 HydrophobicContact CG2-CD2 4Å; I42-F116 HydrophobicContact CG2-CE2 4.12Å; I42-F116 CarbonylContact O-C 3.5Å; I42-F116 VanDerWaalsContact O-CA 3.26Å; I42-F116 WeakPolarHBondContact O-CA 3.16Å; I42-V117 PolarHBondContact O-N 3.09Å; I42-L320 VanDerWaalsContact C-CD1 3.48Å; I42-L321 CarbonylContact C-O 3.51Å; I42-L321 WeakPolarHBondContact CA-O 3.49Å; I42-L321 HydrophobicContact CD1-CB 4.27Å; I42-V323 HydrophobicContact CG2-CG2 4.22Å; I42-L339 HydrophobicContact CD1-CD1 4.33Å; I42-L339 HydrophobicContact CD1-CD2 3.45Å; I42-L339 VanDerWaalsContact CD1-CD2 3.45Å
43	F	98.8	Very high	97.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.1	170	-146.3	163.5	0	0	0	109.1	H45 V117 T119 Y166 W212 W288 L320 L321 N322 V323	F43-H45 AromaticContact CD1-CE1 3.97Å; F43-H45 AromaticContact CE1-CE1 3.52Å; F43-H45 AromaticContact CE2-CE1 3.62Å; F43-H45 AromaticContact CE2-ND1 3.92Å; F43-H45 AromaticContact CZ-CE1 3.28Å; F43-H45 WeakPolarHBondContact CZ-CE1 3.42Å; F43-V117 CarbonylContact C-O 3.56Å; F43-V117 WeakPolarHBondContact CA-O 3.4Å; F43-V117 HydrophobicContact CD2-CB 3.87Å; F43-V117 HydrophobicContact CD2-CG1 3.9Å; F43-V117 WeakPolarHBondContact CD2-O 3.35Å; F43-V117 HydrophobicContact CE2-CB 4.24Å; F43-V117 HydrophobicContact CE2-CG1 3.73Å; F43-V117 HydrophobicContact CG-CB 4.45Å; F43-V117 HydrophobicContact CZ-CG1 4.45Å; F43-T119 HydrophobicContact CE2-CG2 3.94Å; F43-Y166 HydrophobicContact CE2-CD2 4.01Å; F43-Y166 HydrophobicContact CE2-CG 4.11Å; F43-Y166 AromaticContact CZ-CD2 3.45Å; F43-Y166 HydrophobicContact CZ-CD2 3.45Å; F43-Y166 VanDerWaalsContact CZ-CD2 3.45Å; F43-Y166 HydrophobicContact CZ-CE2 4.16Å; F43-Y166 HydrophobicContact CZ-CG 4.03Å; F43-W212 HydrophobicContact CE1-CZ2 4.29Å; F43-W212 HydrophobicContact CZ-CD2 4.41Å; F43-W288 HydrophobicContact CD1-CE3 4.45Å; F43-W288 AromaticContact CD1-CZ3 3.81Å; F43-W288 HydrophobicContact CD1-CZ3 3.81Å; F43-W288 HydrophobicContact CE1-CZ3 4.08Å; F43-L320 HydrophobicContact CB-CD1 3.77Å; F43-L320 HydrophobicContact CB-CD2 4.27Å; F43-L320 HydrophobicContact CB-CG 3.81Å; F43-L320 HydrophobicContact CD1-CD2 3.5Å; F43-L320 VanDerWaalsContact CD1-CD2 3.5Å; F43-L320 HydrophobicContact CD1-CG 3.79Å; F43-L320 HydrophobicContact CE1-CD2 4.03Å; F43-L320 HydrophobicContact CG-CD1 4.25Å; F43-L320 HydrophobicContact CG-CD2 3.92Å; F43-L320 HydrophobicContact CG-CG 4.01Å; F43-L321 PolarHBondContact N-O 2.98Å; F43-N322 HydrophobicContact CB-CB 3.87Å; F43-N322 CarbonylContact O-C 3.58Å; F43-N322 VanDerWaalsContact O-CA 3.29Å; F43-N322 WeakPolarHBondContact O-CA 3.4Å; F43-N322 PolarHBondContact O-OD1 2.85Å; F43-V323 WeakPolarHBondContact O-CG2 3.4Å; F43-V323 PolarHBondContact O-N 3.18Å
44	M	98.7	Very high	97.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	112.1	172.2	178	-179.3	-73.7	0	0	110.6	W46 F104 F116 V117 L118 T119 L152 V323 P325	M44-W46 HydrophobicContact CG-CB 3.9Å; M44-W46 HydrophobicContact SD-CB 4.16Å; M44-W46 HydrophobicContact SD-CE3 4.28Å; M44-F104 HydrophobicContact CE-CD1 3.33Å; M44-F104 HydrophobicContact CE-CE1 3.03Å; M44-F104 HydrophobicContact CE-CE2 4.49Å; M44-F104 HydrophobicContact CE-CG 4.17Å; M44-F104 HydrophobicContact CE-CZ 3.7Å; M44-F116 HydrophobicContact CB-CE2 3.87Å; M44-F116 HydrophobicContact CB-CZ 3.71Å; M44-F116 HydrophobicContact CE-CE2 4.07Å; M44-F116 HydrophobicContact CE-CZ 3.85Å; M44-F116 HydrophobicContact CG-CZ 4.47Å; M44-F116 HydrophobicContact SD-CZ 3.98Å; M44-V117 PolarHBondContact N-O 3.21Å; M44-L118 HydrophobicContact CB-CD1 4.13Å; M44-L118 HydrophobicContact CG-CD1 3.91Å; M44-L118 HydrophobicContact SD-CD1 3.58Å; M44-L118 VanDerWaalsContact SD-CD1 3.58Å; M44-T119 WeakPolarHBondContact O-CB 3.22Å; M44-T119 WeakPolarHBondContact O-CG2 3.45Å; M44-T119 PolarHBondContact O-N 3.21Å; M44-T119 PolarHBondContact O-OG1 2.99Å; M44-L152 HydrophobicContact SD-CD1 4.17Å; M44-V323 WeakPolarHBondContact CA-O 3.37Å; M44-V323 HydrophobicContact CB-CG2 4.35Å; M44-V323 HydrophobicContact CE-CG2 4.35Å; M44-P325 HydrophobicContact CE-CG 3.71Å; M44-P325 HydrophobicContact CG-CG 3.74Å; M44-P325 HydrophobicContact SD-CG 3.77Å
45	H	98.6	Very high	97.8	Very high	7 Å²	7	9.8 Å²	9.8	3%	0.032	5%	0.047	C	C	.	.			trans	-91.3	96.6	166.7	-81.3	73.1	0	0	0	109.8	F43 Y49 T119 W288 N322 V323	F43-H45 AromaticContact CD1-CE1 3.97Å; F43-H45 AromaticContact CE1-CE1 3.52Å; F43-H45 AromaticContact CE2-CE1 3.62Å; F43-H45 AromaticContact CE2-ND1 3.92Å; F43-H45 AromaticContact CZ-CE1 3.28Å; F43-H45 WeakPolarHBondContact CZ-CE1 3.42Å; H45-Y49 WeakPolarHBondContact CA-OH 3.48Å; H45-T119 VanDerWaalsContact CA-OG1 3.32Å; H45-T119 WeakPolarHBondContact CA-OG1 3.26Å; H45-T119 HydrophobicContact CB-CG2 4.3Å; H45-W288 HydrophobicContact CB-CB 3.98Å; H45-W288 WeakPolarHBondContact CB-O 3.45Å; H45-W288 AromaticContact CE1-CD2 3.86Å; H45-W288 AromaticContact CE1-CE3 3.34Å; H45-W288 AromaticContact ND1-CE3 3.54Å; H45-N322 PolarHBondContact N-OD1 2.99Å; H45-N322 VanDerWaalsContact N-OD1 3.11Å; H45-N322 PolarHBondContact ND1-OD1 2.84Å; H45-V323 PolarHBondContact N-O 2.97Å; H45-V323 VanDerWaalsContact N-O 3.13Å
46	W	98.3	Very high	97.6	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.008	6%	0.061	C	C	.	.			trans	-134.2	132.6	178.8	-167.6	38.7	0	0	0	109.5	M44 Y49 M94 C96 F99 T119 L128 L148 P325 T326	M44-W46 HydrophobicContact CG-CB 3.9Å; M44-W46 HydrophobicContact SD-CB 4.16Å; M44-W46 HydrophobicContact SD-CE3 4.28Å; W46-Y49 PolarHBondContact N-OH 3.01Å; W46-Y49 VanDerWaalsContact N-OH 3.11Å; W46-M94 HydrophobicContact CD2-CE 3.96Å; W46-M94 HydrophobicContact CG-CE 4.29Å; W46-M94 HydrophobicContact CZ2-CE 3.94Å; W46-C96 HydrophobicContact CH2-CB 4.27Å; W46-C96 WeakPolarHBondContact CH2-SG 3.44Å; W46-C96 HydrophobicContact CZ2-CB 4.31Å; W46-C96 WeakPolarHBondContact CZ2-SG 3.49Å; W46-F99 HydrophobicContact CH2-CB 4.26Å; W46-F99 HydrophobicContact CH2-CD1 4.31Å; W46-F99 AromaticContact CH2-CD2 3.74Å; W46-F99 HydrophobicContact CH2-CD2 3.74Å; W46-F99 HydrophobicContact CH2-CE2 4.21Å; W46-F99 AromaticContact CH2-CG 3.82Å; W46-F99 HydrophobicContact CH2-CG 3.82Å; W46-F99 HydrophobicContact CZ3-CD2 4.03Å; W46-F99 HydrophobicContact CZ3-CE2 4.03Å; W46-F99 HydrophobicContact CZ3-CG 4.4Å; W46-F99 HydrophobicContact CZ3-CZ 4.4Å; W46-T119 PolarHBondContact N-OG1 2.68Å; W46-T119 PolarHBondContact O-OG1 2.95Å; W46-L128 HydrophobicContact CE3-CD1 4.14Å; W46-L128 WeakPolarHBondContact O-CD1 3.2Å; W46-L148 HydrophobicContact CE3-CD1 4.34Å; W46-L148 HydrophobicContact CH2-CD1 3.75Å; W46-L148 HydrophobicContact CH2-CD2 4.01Å; W46-L148 HydrophobicContact CH2-CG 4.43Å; W46-L148 HydrophobicContact CZ3-CB 4.26Å; W46-L148 HydrophobicContact CZ3-CD1 3.64Å; W46-L148 HydrophobicContact CZ3-CD2 4.09Å; W46-L148 HydrophobicContact CZ3-CG 4.21Å; W46-P325 HydrophobicContact CB-CG 4.12Å; W46-P325 HydrophobicContact CD2-CB 4.31Å; W46-P325 HydrophobicContact CG-CB 4Å; W46-P325 HydrophobicContact CG-CG 4.07Å; W46-T326 PolarHBondContact NE1-O 3.44Å
47	G	98	Very high	97.7	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.01	6%	0.056	C	C	.	.	S	Bend	trans	-178.5	-171.3	-172.6	0	0	0	0	0	110.2	Y49 S50	G47-Y49 PolarHBondContact O-N 3.35Å; G47-S50 VanDerWaalsContact O-CB 3.26Å; G47-S50 WeakPolarHBondContact O-CB 3.29Å; G47-S50 PolarHBondContact O-N 3.14Å; G47-S50 PolarHBondContact O-OG 2.89Å
48	L	98.1	Very high	97.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-63.9	-29.5	-172.5	-174.1	53.4	0	0	0	112.6	S50 V51 P52 Y87 F90 A91 M94 E124 Y126 F137	L48-S50 PolarHBondContact O-N 3.28Å; L48-S50 VanDerWaalsContact O-N 3.12Å; L48-V51 HydrophobicContact CD1-CG2 4.08Å; L48-V51 WeakPolarHBondContact O-CB 3.37Å; L48-V51 WeakPolarHBondContact O-CG2 3.39Å; L48-V51 PolarHBondContact O-N 3.15Å; L48-P52 WeakPolarHBondContact O-CD 3.5Å; L48-Y87 HydrophobicContact CB-CE1 4.33Å; L48-Y87 HydrophobicContact CD2-CD1 4.12Å; L48-Y87 HydrophobicContact CD2-CE1 3.78Å; L48-Y87 HydrophobicContact CG-CE1 4.09Å; L48-F90 HydrophobicContact CD1-CB 3.66Å; L48-F90 HydrophobicContact CD2-CB 4.24Å; L48-F90 HydrophobicContact CG-CB 3.92Å; L48-A91 VanDerWaalsContact CD1-CA 3.5Å; L48-A91 HydrophobicContact CD1-CB 4.24Å; L48-A91 HydrophobicContact CD2-CB 4.12Å; L48-M94 HydrophobicContact CD1-CB 4.23Å; L48-E124 HydrophobicContact CB-CG 4.48Å; L48-Y126 HydrophobicContact CB-CD1 4.19Å; L48-Y126 HydrophobicContact CB-CG 4.01Å; L48-Y126 HydrophobicContact CD2-CD2 4.27Å; L48-Y126 HydrophobicContact CD2-CG 4.45Å; L48-F137 HydrophobicContact CD2-CE2 3.78Å; L48-F137 HydrophobicContact CD2-CZ 3.66Å
49	Y	98.4	Very high	97.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-59.6	-17.9	173.5	52.6	-99.9	0	0	0	114.4	H45 W46 G47 V51 P52 S53 A58 E59 Y87 H122 E124	H45-Y49 WeakPolarHBondContact CA-OH 3.48Å; W46-Y49 PolarHBondContact N-OH 3.01Å; W46-Y49 VanDerWaalsContact N-OH 3.11Å; G47-Y49 PolarHBondContact O-N 3.35Å; Y49-V51 PolarHBondContact O-N 3.49Å; Y49-P52 VanDerWaalsContact O-CD 3.31Å; Y49-P52 WeakPolarHBondContact O-CD 3.46Å; Y49-P52 WeakPolarHBondContact O-CG 3.42Å; Y49-S53 WeakPolarHBondContact O-CA 3.08Å; Y49-S53 PolarHBondContact O-N 3.19Å; Y49-A58 WeakPolarHBondContact CB-O 3.44Å; Y49-E59 HydrophobicContact CD1-CB 4.14Å; Y49-E59 HydrophobicContact CD2-CB 3.78Å; Y49-E59 HydrophobicContact CE1-CB 4.03Å; Y49-E59 HydrophobicContact CE2-CB 3.64Å; Y49-E59 HydrophobicContact CG-CB 4.02Å; Y49-Y87 WeakPolarHBondContact CA-OH 3.46Å; Y49-Y87 PolarHBondContact N-OH 3.29Å; Y49-H122 HydrophobicContact CE1-CB 3.81Å; Y49-H122 AromaticContact CE1-CG 3.89Å; Y49-H122 AromaticContact CE1-ND1 3.87Å; Y49-E124 VanDerWaalsContact CD1-OE1 3.31Å; Y49-E124 WeakPolarHBondContact CD1-OE1 3.22Å; Y49-E124 WeakPolarHBondContact CE1-OE1 3.37Å
50	S	98.4	Very high	97.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-66.7	-13.9	172.5	68.4	0	0	0	0	113.5	G47 L48 S53 H327	G47-S50 VanDerWaalsContact O-CB 3.26Å; G47-S50 WeakPolarHBondContact O-CB 3.29Å; G47-S50 PolarHBondContact O-N 3.14Å; G47-S50 PolarHBondContact O-OG 2.89Å; L48-S50 PolarHBondContact O-N 3.28Å; L48-S50 VanDerWaalsContact O-N 3.12Å; S50-S53 VanDerWaalsContact O-CB 3.26Å; S50-S53 WeakPolarHBondContact O-CB 3.32Å; S50-S53 PolarHBondContact O-OG 3.38Å; S50-H327 PolarHBondContact O-ND1 3.42Å; S50-H327 WeakPolarHBondContact OG-CA 3.44Å; S50-H327 WeakPolarHBondContact OG-CB 3.49Å
51	V	98.5	Very high	97.9	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.018	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-62.1	174.5	179.3	0	0	0	0	110.9	L48 Y49 S53 F90 M93 M94 H327	L48-V51 HydrophobicContact CD1-CG2 4.08Å; L48-V51 WeakPolarHBondContact O-CB 3.37Å; L48-V51 WeakPolarHBondContact O-CG2 3.39Å; L48-V51 PolarHBondContact O-N 3.15Å; Y49-V51 PolarHBondContact O-N 3.49Å; V51-S53 VanDerWaalsContact C-N 3.27Å; V51-S53 PolarHBondContact O-N 3.24Å; V51-S53 PolarHBondContact O-OG 3.1Å; V51-F90 HydrophobicContact CB-CB 4.2Å; V51-F90 HydrophobicContact CB-CD1 4.15Å; V51-F90 HydrophobicContact CB-CG 4.4Å; V51-F90 HydrophobicContact CG1-CB 4.17Å; V51-F90 HydrophobicContact CG1-CD1 3.52Å; V51-F90 HydrophobicContact CG1-CE1 4.24Å; V51-F90 HydrophobicContact CG1-CG 4.19Å; V51-M93 HydrophobicContact CG1-CB 3.69Å; V51-M93 HydrophobicContact CG1-CE 3.93Å; V51-M93 HydrophobicContact CG1-SD 4.18Å; V51-M93 HydrophobicContact CG2-CB 4.33Å; V51-M94 HydrophobicContact CG2-CB 3.84Å; V51-H327 HydrophobicContact CB-CB 4.32Å; V51-H327 HydrophobicContact CG2-CB 3.61Å
52	P	98.1	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.6	174.3	23.9	-32.6	0	0	0	111.5	L48 Y49 Y54 F61 F76 F90 R292	L48-P52 WeakPolarHBondContact O-CD 3.5Å; Y49-P52 VanDerWaalsContact O-CD 3.31Å; Y49-P52 WeakPolarHBondContact O-CD 3.46Å; Y49-P52 WeakPolarHBondContact O-CG 3.42Å; P52-Y54 VanDerWaalsContact C-N 3.35Å; P52-Y54 WeakPolarHBondContact O-CB 3.23Å; P52-Y54 PolarHBondContact O-N 3.2Å; P52-F61 HydrophobicContact CB-CD1 3.95Å; P52-F61 HydrophobicContact CB-CD2 3.84Å; P52-F61 HydrophobicContact CB-CE1 3.85Å; P52-F61 HydrophobicContact CB-CE2 3.74Å; P52-F61 HydrophobicContact CB-CG 3.95Å; P52-F61 HydrophobicContact CB-CZ 3.75Å; P52-F61 HydrophobicContact CG-CB 4.27Å; P52-F61 HydrophobicContact CG-CD1 3.77Å; P52-F61 HydrophobicContact CG-CD2 4.17Å; P52-F61 HydrophobicContact CG-CE1 4.14Å; P52-F61 HydrophobicContact CG-CE2 4.5Å; P52-F61 HydrophobicContact CG-CG 3.8Å; P52-F61 HydrophobicContact CG-CZ 4.48Å; P52-F76 HydrophobicContact CB-CE1 4.3Å; P52-F76 WeakPolarHBondContact O-CZ 3.49Å; P52-F90 HydrophobicContact CB-CE1 4.2Å; P52-F90 HydrophobicContact CB-CE2 4.25Å; P52-F90 HydrophobicContact CB-CZ 3.85Å; P52-F90 HydrophobicContact CG-CD2 4.41Å; P52-F90 HydrophobicContact CG-CE2 4.1Å; P52-F90 HydrophobicContact CG-CZ 4.17Å; P52-R292 PolarHBondContact O-NH1 2.82Å
53	S	98.2	Very high	97.8	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	7%	0.071	C	C	.	.			trans	44.8	52.4	170.6	44.4	0	0	0	0	114	Y49 S50 V51 Y290 R292	Y49-S53 WeakPolarHBondContact O-CA 3.08Å; Y49-S53 PolarHBondContact O-N 3.19Å; S50-S53 VanDerWaalsContact O-CB 3.26Å; S50-S53 WeakPolarHBondContact O-CB 3.32Å; S50-S53 PolarHBondContact O-OG 3.38Å; V51-S53 VanDerWaalsContact C-N 3.27Å; V51-S53 PolarHBondContact O-N 3.24Å; V51-S53 PolarHBondContact O-OG 3.1Å; S53-Y290 CarbonylContact C-O 3.14Å; S53-Y290 WeakPolarHBondContact CA-O 3.49Å; S53-Y290 VanDerWaalsContact CB-CD1 3.49Å; S53-Y290 WeakPolarHBondContact CB-O 3.29Å; S53-R292 WeakPolarHBondContact O-CG 3.38Å; S53-R292 PolarHBondContact O-N 3.01Å; S53-R292 WeakPolarHBondContact OG-CD 3.04Å
54	Y	97.9	Very high	97.8	Very high	52 Å²	52	16.6 Å²	16.6	20%	0.204	8%	0.076	C	C	.	.			trans	-145.8	137.7	-168.1	179.9	-111.4	0	0	0	114.2	P52 F61 E72 F76 E293	P52-Y54 VanDerWaalsContact C-N 3.35Å; P52-Y54 WeakPolarHBondContact O-CB 3.23Å; P52-Y54 PolarHBondContact O-N 3.2Å; Y54-F61 HydrophobicContact CD1-CE2 4.24Å; Y54-E72 HydrophobicContact CE1-CG 3.47Å; Y54-E72 VanDerWaalsContact CE1-CG 3.47Å; Y54-E72 WeakPolarHBondContact OH-CG 3.32Å; Y54-E72 PolarHBondContact OH-OE1 3.15Å; Y54-F76 HydrophobicContact CD1-CB 3.71Å; Y54-F76 AromaticContact CD1-CD1 3.9Å; Y54-F76 HydrophobicContact CD1-CD1 3.9Å; Y54-F76 AromaticContact CD1-CD2 3.37Å; Y54-F76 HydrophobicContact CD1-CD2 3.37Å; Y54-F76 HydrophobicContact CD1-CE1 4.26Å; Y54-F76 AromaticContact CD1-CE2 3.78Å; Y54-F76 HydrophobicContact CD1-CE2 3.78Å; Y54-F76 AromaticContact CD1-CG 3.4Å; Y54-F76 HydrophobicContact CD1-CG 3.4Å; Y54-F76 VanDerWaalsContact CD1-CG 3.4Å; Y54-F76 HydrophobicContact CD1-CZ 4.18Å; Y54-F76 AromaticContact CD2-CD2 3.88Å; Y54-F76 HydrophobicContact CD2-CD2 3.88Å; Y54-F76 AromaticContact CD2-CE2 3.73Å; Y54-F76 HydrophobicContact CD2-CE2 3.73Å; Y54-F76 HydrophobicContact CD2-CZ 4.44Å; Y54-F76 HydrophobicContact CE1-CB 3.49Å; Y54-F76 VanDerWaalsContact CE1-CB 3.49Å; Y54-F76 AromaticContact CE1-CD2 3.54Å; Y54-F76 HydrophobicContact CE1-CD2 3.54Å; Y54-F76 HydrophobicContact CE1-CE2 4.31Å; Y54-F76 AromaticContact CE1-CG 3.64Å; Y54-F76 HydrophobicContact CE1-CG 3.64Å; Y54-F76 HydrophobicContact CE2-CD2 4.09Å; Y54-F76 HydrophobicContact CE2-CE2 4.32Å; Y54-F76 HydrophobicContact CG-CD1 4.37Å; Y54-F76 AromaticContact CG-CD2 3.54Å; Y54-F76 HydrophobicContact CG-CD2 3.54Å; Y54-F76 HydrophobicContact CG-CE1 4.29Å; Y54-F76 AromaticContact CG-CE2 3.45Å; Y54-F76 HydrophobicContact CG-CE2 3.45Å; Y54-F76 VanDerWaalsContact CG-CE2 3.45Å; Y54-F76 AromaticContact CG-CG 3.99Å; Y54-F76 HydrophobicContact CG-CG 3.99Å; Y54-F76 AromaticContact CG-CZ 3.81Å; Y54-F76 HydrophobicContact CG-CZ 3.81Å; Y54-F76 AromaticContact CZ-CD2 3.93Å; Y54-E293 HydrophobicContact CD2-CG 4.23Å; Y54-E293 HydrophobicContact CE2-CG 4.3Å
55	G	96	Very high	97.7	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	8%	0.08	C	C	.	.	S	Bend	trans	88.4	161.1	176.8	0	0	0	0	0	112.1	A58 R291 E293	G55-A58 PolarHBondContact O-N 3.06Å; G55-R291 WeakPolarHBondContact O-CD 3.46Å; G55-R291 WeakPolarHBondContact O-CG 3.38Å; G55-E293 PolarHBondContact N-OE1 2.91Å
56	S	93.7	Very high	97.7	Very high	42 Å²	42	21 Å²	21	29%	0.294	10%	0.095	S	C	.	.	S	Bend	trans	-51	144.8	169.1	55.8	0	0	0	0	110	A58 R64	S56-A58 PolarHBondContact O-N 2.62Å; S56-R64 VanDerWaalsContact O-CZ 3.26Å; S56-R64 PolarHBondContact O-NH1 3.15Å; S56-R64 PolarHBondContact OG-NH1 2.92Å
57	S	95.5	Very high	97.6	Very high	28 Å²	28	22.2 Å²	22.2	20%	0.196	11%	0.108	C	C	.	.	S	Bend	trans	46.6	59.1	-175.3	-37.7	0	0	0	0	111.6	E59 W60 R64 E286	S57-E59 WeakPolarHBondContact CA-OE1 3.39Å; S57-E59 WeakPolarHBondContact CA-OE2 3.31Å; S57-E59 WeakPolarHBondContact CB-OE1 3.22Å; S57-E59 PolarHBondContact O-N 3.14Å; S57-E59 VanDerWaalsContact O-N 3.08Å; S57-W60 WeakPolarHBondContact O-CA 3.34Å; S57-W60 WeakPolarHBondContact O-CB 3.47Å; S57-W60 PolarHBondContact O-N 3.43Å; S57-R64 PolarHBondContact OG-NH2 2.88Å; S57-E286 PolarHBondContact N-O 2.69Å
58	A	97.6	Very high	97.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-58.8	-24.5	-172.9	0	0	0	0	0	113.1	Y49 G55 S56 W60 F61 S287 Y290 R291	Y49-A58 WeakPolarHBondContact CB-O 3.44Å; G55-A58 PolarHBondContact O-N 3.06Å; S56-A58 PolarHBondContact O-N 2.62Å; A58-W60 PolarHBondContact O-N 3.39Å; A58-F61 VanDerWaalsContact O-CB 3.23Å; A58-F61 WeakPolarHBondContact O-CB 3.28Å; A58-F61 PolarHBondContact O-N 2.69Å; A58-S287 PolarHBondContact N-OG 3.22Å; A58-Y290 WeakPolarHBondContact CB-O 3.48Å; A58-R291 HydrophobicContact CB-CG 3.81Å
59	E	98.2	Very high	97.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.8	-21.6	170.9	72.1	-68.1	162.8	0	0	113.8	Y49 S57 H122 S287 W288 G289	Y49-E59 HydrophobicContact CD1-CB 4.14Å; Y49-E59 HydrophobicContact CD2-CB 3.78Å; Y49-E59 HydrophobicContact CE1-CB 4.03Å; Y49-E59 HydrophobicContact CE2-CB 3.64Å; Y49-E59 HydrophobicContact CG-CB 4.02Å; S57-E59 WeakPolarHBondContact CA-OE1 3.39Å; S57-E59 WeakPolarHBondContact CA-OE2 3.31Å; S57-E59 WeakPolarHBondContact CB-OE1 3.22Å; S57-E59 PolarHBondContact O-N 3.14Å; S57-E59 VanDerWaalsContact O-N 3.08Å; E59-H122 PolarHBondContact O-CE1 3.05Å; E59-H122 VanDerWaalsContact O-CE1 3.29Å; E59-S287 PolarHBondContact OE2-OG 2.92Å; E59-W288 HydrophobicContact CG-CB 4.11Å; E59-W288 PolarHBondContact OE2-N 2.69Å; E59-W288 VanDerWaalsContact OE2-N 3.13Å; E59-G289 PolarHBondContact OE2-N 2.7Å
60	W	98.2	Very high	97.5	Very high	63 Å²	63	36.9 Å²	36.9	24%	0.239	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-89.3	9	173.6	-73.5	76.3	0	0	0	114.3	S57 A58 W62 W63 R64 H123 W172 W217	S57-W60 WeakPolarHBondContact O-CA 3.34Å; S57-W60 WeakPolarHBondContact O-CB 3.47Å; S57-W60 PolarHBondContact O-N 3.43Å; A58-W60 PolarHBondContact O-N 3.39Å; W60-W62 VanDerWaalsContact C-N 3.29Å; W60-W62 PolarHBondContact O-N 2.85Å; W60-W62 VanDerWaalsContact O-N 3.16Å; W60-W63 HydrophobicContact CE3-CB 3.95Å; W60-W63 AromaticContact CE3-CD1 3.54Å; W60-W63 AromaticContact CE3-CG 3.88Å; W60-W63 HydrophobicContact CE3-CG 3.88Å; W60-W63 HydrophobicContact CZ3-CB 4.49Å; W60-W63 AromaticContact CZ3-CD1 3.73Å; W60-W63 HydrophobicContact CZ3-CG 4.08Å; W60-W63 PolarHBondContact O-N 2.98Å; W60-R64 HydrophobicContact CB-CG 4.2Å; W60-R64 WeakPolarHBondContact O-CG 3.33Å; W60-R64 PolarHBondContact O-N 2.68Å; W60-H123 AromaticContact CZ2-CD2 3.96Å; W60-W172 HydrophobicContact CD2-CH2 4.34Å; W60-W172 AromaticContact CD2-CZ2 3.72Å; W60-W172 HydrophobicContact CD2-CZ2 3.72Å; W60-W172 HydrophobicContact CE3-CH2 4.29Å; W60-W172 AromaticContact CE3-CZ2 3.43Å; W60-W172 HydrophobicContact CE3-CZ2 3.43Å; W60-W172 VanDerWaalsContact CE3-CZ2 3.43Å; W60-W172 HydrophobicContact CG-CH2 4.49Å; W60-W172 HydrophobicContact CG-CZ2 4.32Å; W60-W172 HydrophobicContact CH2-CZ2 4.28Å; W60-W172 AromaticContact CZ3-CE2 3.99Å; W60-W172 AromaticContact CZ3-CZ2 3.74Å; W60-W172 HydrophobicContact CZ3-CZ2 3.74Å; W60-W172 AromaticContact CZ3-NE1 3.74Å; W60-W217 HydrophobicContact CH2-CH2 4.4Å; W60-W217 AromaticContact CH2-CZ3 3.94Å; W60-W217 HydrophobicContact CH2-CZ3 3.94Å; W60-W217 AromaticContact CZ2-CH2 3.95Å; W60-W217 HydrophobicContact CZ2-CH2 3.95Å; W60-W217 AromaticContact CZ2-CZ3 3.94Å; W60-W217 HydrophobicContact CZ2-CZ3 3.94Å
61	F	98.5	Very high	97.5	Very high	1 Å²	1	44 Å²	44	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-50.7	-46	-173	-175.9	-85.1	0	0	0	113.1	P52 Y54 A58 R64 W65 Q73 F76 M77 Y87 F90	P52-F61 HydrophobicContact CB-CD1 3.95Å; P52-F61 HydrophobicContact CB-CD2 3.84Å; P52-F61 HydrophobicContact CB-CE1 3.85Å; P52-F61 HydrophobicContact CB-CE2 3.74Å; P52-F61 HydrophobicContact CB-CG 3.95Å; P52-F61 HydrophobicContact CB-CZ 3.75Å; P52-F61 HydrophobicContact CG-CB 4.27Å; P52-F61 HydrophobicContact CG-CD1 3.77Å; P52-F61 HydrophobicContact CG-CD2 4.17Å; P52-F61 HydrophobicContact CG-CE1 4.14Å; P52-F61 HydrophobicContact CG-CE2 4.5Å; P52-F61 HydrophobicContact CG-CG 3.8Å; P52-F61 HydrophobicContact CG-CZ 4.48Å; Y54-F61 HydrophobicContact CD1-CE2 4.24Å; A58-F61 VanDerWaalsContact O-CB 3.23Å; A58-F61 WeakPolarHBondContact O-CB 3.28Å; A58-F61 PolarHBondContact O-N 2.69Å; F61-R64 PolarHBondContact O-N 2.9Å; F61-W65 HydrophobicContact CE1-CB 4.38Å; F61-W65 HydrophobicContact CE1-CD2 4.37Å; F61-W65 AromaticContact CE1-CE3 3.96Å; F61-W65 HydrophobicContact CE1-CE3 3.96Å; F61-W65 VanDerWaalsContact O-CB 3.24Å; F61-W65 WeakPolarHBondContact O-CB 3.31Å; F61-W65 PolarHBondContact O-N 2.88Å; F61-Q73 HydrophobicContact CD2-CG 3.93Å; F61-Q73 HydrophobicContact CE2-CB 4.26Å; F61-Q73 HydrophobicContact CE2-CG 3.93Å; F61-Q73 HydrophobicContact CZ-CB 4.46Å; F61-F76 AromaticContact CE2-CD1 3.84Å; F61-F76 HydrophobicContact CE2-CD1 3.84Å; F61-F76 AromaticContact CE2-CE1 3.96Å; F61-F76 HydrophobicContact CE2-CE1 3.96Å; F61-F76 AromaticContact CZ-CD1 3.85Å; F61-F76 HydrophobicContact CZ-CD1 3.85Å; F61-F76 HydrophobicContact CZ-CE1 4.06Å; F61-M77 HydrophobicContact CE1-CG 4.11Å; F61-M77 HydrophobicContact CE1-SD 3.77Å; F61-M77 HydrophobicContact CZ-CG 3.78Å; F61-M77 HydrophobicContact CZ-SD 3.54Å; F61-M77 VanDerWaalsContact CZ-SD 3.54Å; F61-Y87 HydrophobicContact CD1-CD2 4.37Å; F61-Y87 AromaticContact CD1-CE2 4Å; F61-Y87 HydrophobicContact CD1-CE2 4Å; F61-F90 HydrophobicContact CE1-CE2 4.15Å; F61-F90 HydrophobicContact CE1-CZ 4.35Å
62	W	98.2	Very high	97.4	Very high	47 Å²	47	47.4 Å²	47.4	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-46.9	-176	-165.4	12.1	0	0	0	112.3	W60 W65 Q66 Y87 E124 W172 F173	W60-W62 VanDerWaalsContact C-N 3.29Å; W60-W62 PolarHBondContact O-N 2.85Å; W60-W62 VanDerWaalsContact O-N 3.16Å; W62-W65 PolarHBondContact O-N 3.44Å; W62-Q66 PolarHBondContact O-N 2.97Å; W62-Y87 HydrophobicContact CB-CD1 4.22Å; W62-Y87 HydrophobicContact CB-CD2 3.64Å; W62-Y87 HydrophobicContact CB-CE1 4.12Å; W62-Y87 HydrophobicContact CB-CE2 3.55Å; W62-Y87 HydrophobicContact CB-CG 3.99Å; W62-Y87 AromaticContact CD1-CD2 3.75Å; W62-Y87 AromaticContact CD1-CG 3.64Å; W62-Y87 AromaticContact CD2-CD1 3.47Å; W62-Y87 HydrophobicContact CD2-CD1 3.47Å; W62-Y87 VanDerWaalsContact CD2-CD1 3.47Å; W62-Y87 HydrophobicContact CD2-CD2 4.16Å; W62-Y87 HydrophobicContact CD2-CE1 4.01Å; W62-Y87 AromaticContact CD2-CG 3.55Å; W62-Y87 HydrophobicContact CD2-CG 3.55Å; W62-Y87 AromaticContact CE2-CD1 3.94Å; W62-Y87 AromaticContact CE2-CG 3.8Å; W62-Y87 AromaticContact CE3-CD1 3.62Å; W62-Y87 HydrophobicContact CE3-CD1 3.62Å; W62-Y87 AromaticContact CE3-CE1 3.89Å; W62-Y87 HydrophobicContact CE3-CE1 3.89Å; W62-Y87 HydrophobicContact CE3-CG 4.2Å; W62-Y87 AromaticContact CG-CD1 3.78Å; W62-Y87 HydrophobicContact CG-CD1 3.78Å; W62-Y87 AromaticContact CG-CD2 3.55Å; W62-Y87 HydrophobicContact CG-CD2 3.55Å; W62-Y87 HydrophobicContact CG-CE1 4.16Å; W62-Y87 AromaticContact CG-CE2 3.98Å; W62-Y87 HydrophobicContact CG-CE2 3.98Å; W62-Y87 AromaticContact CG-CG 3.45Å; W62-Y87 HydrophobicContact CG-CG 3.45Å; W62-Y87 VanDerWaalsContact CG-CG 3.45Å; W62-Y87 HydrophobicContact CZ2-CD1 4.45Å; W62-Y87 HydrophobicContact CZ3-CD1 4.17Å; W62-Y87 AromaticContact NE1-CG 3.85Å; W62-E124 HydrophobicContact CE3-CB 3.64Å; W62-E124 HydrophobicContact CZ3-CB 4.11Å; W62-E124 WeakPolarHBondContact CZ3-O 3.47Å; W62-W172 HydrophobicContact CB-CE3 4.15Å; W62-W172 HydrophobicContact CB-CZ3 3.93Å; W62-W172 HydrophobicContact CE3-CE3 4.22Å; W62-F173 AromaticContact CD1-CE2 3.84Å; W62-F173 AromaticContact CD2-CD2 3.49Å; W62-F173 HydrophobicContact CD2-CD2 3.49Å; W62-F173 VanDerWaalsContact CD2-CD2 3.49Å; W62-F173 AromaticContact CD2-CE2 3.67Å; W62-F173 HydrophobicContact CD2-CE2 3.67Å; W62-F173 AromaticContact CE2-CD2 3.32Å; W62-F173 AromaticContact CE2-CE2 3.69Å; W62-F173 AromaticContact CE3-CD2 3.69Å; W62-F173 HydrophobicContact CE3-CD2 3.69Å; W62-F173 HydrophobicContact CE3-CE2 4.18Å; W62-F173 HydrophobicContact CG-CD2 4.16Å; W62-F173 AromaticContact CG-CE2 3.82Å; W62-F173 HydrophobicContact CG-CE2 3.82Å; W62-F173 HydrophobicContact CH2-CB 3.81Å; W62-F173 AromaticContact CH2-CD2 3.69Å; W62-F173 HydrophobicContact CH2-CD2 3.69Å; W62-F173 HydrophobicContact CH2-CG 4.2Å; W62-F173 HydrophobicContact CZ2-CB 3.95Å; W62-F173 AromaticContact CZ2-CD2 3.45Å; W62-F173 HydrophobicContact CZ2-CD2 3.45Å; W62-F173 VanDerWaalsContact CZ2-CD2 3.45Å; W62-F173 HydrophobicContact CZ2-CE2 4.27Å; W62-F173 HydrophobicContact CZ2-CG 4.01Å; W62-F173 HydrophobicContact CZ3-CB 4.4Å; W62-F173 AromaticContact CZ3-CD2 3.79Å; W62-F173 HydrophobicContact CZ3-CD2 3.79Å; W62-F173 AromaticContact NE1-CD2 3.8Å; W62-F173 AromaticContact NE1-CE2 3.74Å
63	W	98.2	Very high	97.4	Very high	74 Å²	74	47.5 Å²	47.5	28%	0.28	22%	0.219	S	C	.	.	I	π-helix	trans	-60.9	-46.5	176.1	178.6	-106.4	0	0	0	111.9	W60 W65 G67 E68 W172 F173	W60-W63 HydrophobicContact CE3-CB 3.95Å; W60-W63 AromaticContact CE3-CD1 3.54Å; W60-W63 AromaticContact CE3-CG 3.88Å; W60-W63 HydrophobicContact CE3-CG 3.88Å; W60-W63 HydrophobicContact CZ3-CB 4.49Å; W60-W63 AromaticContact CZ3-CD1 3.73Å; W60-W63 HydrophobicContact CZ3-CG 4.08Å; W60-W63 PolarHBondContact O-N 2.98Å; W63-W65 PolarHBondContact O-N 2.78Å; W63-G67 CarbonylContact O-C 3.54Å; W63-G67 WeakPolarHBondContact O-CA 3.33Å; W63-G67 PolarHBondContact O-N 2.84Å; W63-E68 HydrophobicContact CZ2-CG 4.4Å; W63-E68 VanDerWaalsContact NE1-CD 3.34Å; W63-E68 PolarHBondContact NE1-OE1 2.66Å; W63-E68 PolarHBondContact O-N 2.95Å; W63-W172 HydrophobicContact CB-CD2 3.73Å; W63-W172 HydrophobicContact CB-CE3 3.91Å; W63-W172 HydrophobicContact CB-CG 4.36Å; W63-W172 HydrophobicContact CB-CH2 3.98Å; W63-W172 HydrophobicContact CB-CZ2 3.74Å; W63-W172 HydrophobicContact CB-CZ3 4.05Å; W63-W172 HydrophobicContact CD2-CG 4.41Å; W63-W172 HydrophobicContact CE3-CB 3.98Å; W63-W172 AromaticContact CE3-CD1 3.77Å; W63-W172 HydrophobicContact CE3-CD2 4.37Å; W63-W172 AromaticContact CE3-CG 3.79Å; W63-W172 HydrophobicContact CE3-CG 3.79Å; W63-W172 HydrophobicContact CG-CD2 4.43Å; W63-W172 HydrophobicContact CG-CZ2 4.49Å; W63-W172 HydrophobicContact CZ3-CB 4.45Å; W63-F173 HydrophobicContact CE3-CE1 4.41Å; W63-F173 AromaticContact CE3-CZ 3.89Å; W63-F173 HydrophobicContact CE3-CZ 3.89Å; W63-F173 HydrophobicContact CZ3-CE1 4.34Å; W63-F173 HydrophobicContact CZ3-CZ 4.27Å
64	R	98.2	Very high	97.4	Very high	24 Å²	24	50.1 Å²	50.1	9%	0.091	24%	0.235	C	C	.	.	I	π-helix	trans	-64.1	-32.8	179.5	-70	177.4	-179.4	-156.2	2.3	112.2	S56 S57 W60 F61 H69 R70 Q73	S56-R64 VanDerWaalsContact O-CZ 3.26Å; S56-R64 PolarHBondContact O-NH1 3.15Å; S56-R64 PolarHBondContact OG-NH1 2.92Å; S57-R64 PolarHBondContact OG-NH2 2.88Å; W60-R64 HydrophobicContact CB-CG 4.2Å; W60-R64 WeakPolarHBondContact O-CG 3.33Å; W60-R64 PolarHBondContact O-N 2.68Å; F61-R64 PolarHBondContact O-N 2.9Å; R64-H69 PolarHBondContact O-N 3.19Å; R64-R70 HydrophobicContact CB-CB 4.46Å; R64-R70 HydrophobicContact CB-CG 4.25Å; R64-R70 WeakPolarHBondContact O-CB 3.49Å; R64-R70 PolarHBondContact O-N 3.45Å; R64-Q73 HydrophobicContact CB-CG 4.05Å
65	W	97.8	Very high	97.3	Very high	22 Å²	22	51.9 Å²	51.9	8%	0.083	25%	0.245	C	C	.	.	I	π-helix	trans	-77.5	-51.8	177.1	177.8	30	0	0	0	113.3	F61 W62 W63 H69 Q73 M77 F85 Y87	F61-W65 HydrophobicContact CE1-CB 4.38Å; F61-W65 HydrophobicContact CE1-CD2 4.37Å; F61-W65 AromaticContact CE1-CE3 3.96Å; F61-W65 HydrophobicContact CE1-CE3 3.96Å; F61-W65 VanDerWaalsContact O-CB 3.24Å; F61-W65 WeakPolarHBondContact O-CB 3.31Å; F61-W65 PolarHBondContact O-N 2.88Å; W62-W65 PolarHBondContact O-N 3.44Å; W63-W65 PolarHBondContact O-N 2.78Å; W65-H69 WeakPolarHBondContact O-CA 3.4Å; W65-H69 PolarHBondContact O-ND1 2.91Å; W65-Q73 HydrophobicContact CB-CB 3.89Å; W65-M77 HydrophobicContact CD2-CG 3.76Å; W65-M77 HydrophobicContact CE3-CG 4.26Å; W65-M77 HydrophobicContact CG-CG 4.16Å; W65-M77 HydrophobicContact CH2-CE 3.59Å; W65-M77 HydrophobicContact CH2-CG 4.41Å; W65-M77 HydrophobicContact CZ2-CB 4.18Å; W65-M77 HydrophobicContact CZ2-CE 3.84Å; W65-M77 HydrophobicContact CZ2-CG 3.9Å; W65-M77 HydrophobicContact CZ3-CE 3.95Å; W65-F85 VanDerWaalsContact CH2-O 3.28Å; W65-F85 WeakPolarHBondContact CH2-O 3.4Å; W65-Y87 HydrophobicContact CE3-CD2 4.44Å; W65-Y87 HydrophobicContact CZ3-CD2 4.37Å
66	Q	97	Very high	97.4	Very high	78 Å²	78	52.7 Å²	52.7	36%	0.364	25%	0.248	S	C	.	.	I	π-helix	trans	-104.7	-26.4	-169.2	-68.9	-67.7	-18.5	0	0	114.2	W62 H69 F173	W62-Q66 PolarHBondContact O-N 2.97Å; Q66-H69 PolarHBondContact O-CE1 3Å; Q66-F173 HydrophobicContact CB-CE2 4.27Å; Q66-F173 HydrophobicContact CB-CZ 3.9Å
67	G	97	Very high	97.6	Very high	27 Å²	27	51.1 Å²	51.1	28%	0.278	24%	0.237	S	C	.	.	I	π-helix	trans	-87.4	-48.8	177	0	0	0	0	0	112.3	W63	W63-G67 CarbonylContact O-C 3.54Å; W63-G67 WeakPolarHBondContact O-CA 3.33Å; W63-G67 PolarHBondContact O-N 2.84Å
68	E	97.8	Very high	97.7	Very high	83 Å²	83	58.9 Å²	58.9	39%	0.388	26%	0.262	S	S	.	.	S	Bend	trans	-98.6	-14.2	-177.3	-66	179.1	175.4	0	0	114.1	W63 R70	W63-E68 HydrophobicContact CZ2-CG 4.4Å; W63-E68 VanDerWaalsContact NE1-CD 3.34Å; W63-E68 PolarHBondContact NE1-OE1 2.66Å; W63-E68 PolarHBondContact O-N 2.95Å; E68-R70 HydrophobicContact CB-CG 4.08Å; E68-R70 PolarHBondContact O-N 2.96Å; E68-R70 IonicContact OE1-NH2 3.53Å; E68-R70 IonicContact OE2-CZ 2.69Å; E68-R70 IonicContact OE2-NE 2.7Å; E68-R70 PolarHBondContact OE2-NE 3.11Å; E68-R70 IonicContact OE2-NH2 3.83Å; E68-R70 PolarHBondContact OE2-NH2 3.06Å
69	H	97	Very high	97.7	Very high	126 Å²	126	66.9 Å²	66.9	58%	0.583	30%	0.296	S	S	*	.			trans	53	39.6	-176.1	-54.1	-58.2	0	0	0	113.9	R64 W65 Q66 K71	R64-H69 PolarHBondContact O-N 3.19Å; W65-H69 WeakPolarHBondContact O-CA 3.4Å; W65-H69 PolarHBondContact O-ND1 2.91Å; Q66-H69 PolarHBondContact O-CE1 3Å; H69-K71 PolarHBondContact O-N 3.08Å
70	R	98.1	Very high	97.7	Very high	99 Å²	99	70.6 Å²	70.6	37%	0.374	32%	0.316	S	S	.	.			trans	-58.1	134.6	176.8	-70	-162.2	-172.3	-166.5	2.9	110.2	R64 E68 E72 Q73 T74	R64-R70 HydrophobicContact CB-CB 4.46Å; R64-R70 HydrophobicContact CB-CG 4.25Å; R64-R70 WeakPolarHBondContact O-CB 3.49Å; R64-R70 PolarHBondContact O-N 3.45Å; E68-R70 HydrophobicContact CB-CG 4.08Å; E68-R70 PolarHBondContact O-N 2.96Å; E68-R70 IonicContact OE1-NH2 3.53Å; E68-R70 IonicContact OE2-CZ 2.69Å; E68-R70 IonicContact OE2-NE 2.7Å; E68-R70 PolarHBondContact OE2-NE 3.11Å; E68-R70 IonicContact OE2-NH2 3.83Å; E68-R70 PolarHBondContact OE2-NH2 3.06Å; R70-E72 VanDerWaalsContact C-N 3.29Å; R70-E72 PolarHBondContact O-N 3.36Å; R70-Q73 PolarHBondContact O-N 3.42Å; R70-T74 WeakPolarHBondContact O-CB 3.27Å; R70-T74 PolarHBondContact O-N 2.78Å; R70-T74 PolarHBondContact O-OG1 3.08Å
71	K	97.9	Very high	97.7	Very high	150 Å²	150	69.3 Å²	69.3	65%	0.652	31%	0.312	S	S	*	.	H	α-helix	trans	-56.2	-44	-177.5	-178.1	-179.7	175.4	-176.4	0	111.9	H69 T74 E75	H69-K71 PolarHBondContact O-N 3.08Å; K71-T74 PolarHBondContact O-N 2.89Å; K71-E75 WeakPolarHBondContact CE-OE1 3.41Å; K71-E75 HydrophobicContact CG-CG 4.11Å; K71-E75 IonicContact NZ-OE1 2.72Å; K71-E75 WeakPolarHBondContact O-CB 3.18Å; K71-E75 WeakPolarHBondContact O-CG 3.45Å; K71-E75 PolarHBondContact O-N 2.73Å
72	E	96.8	Very high	97.6	Very high	75 Å²	75	76.2 Å²	76.2	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-56.1	-55.3	-178.3	176	179	-151.5	0	0	112.1	Y54 R70 T74 E75 F76	Y54-E72 HydrophobicContact CE1-CG 3.47Å; Y54-E72 VanDerWaalsContact CE1-CG 3.47Å; Y54-E72 WeakPolarHBondContact OH-CG 3.32Å; Y54-E72 PolarHBondContact OH-OE1 3.15Å; R70-E72 VanDerWaalsContact C-N 3.29Å; R70-E72 PolarHBondContact O-N 3.36Å; E72-T74 PolarHBondContact O-N 3.06Å; E72-E75 PolarHBondContact O-N 2.9Å; E72-F76 VanDerWaalsContact O-CB 3.28Å; E72-F76 WeakPolarHBondContact O-CB 3.31Å; E72-F76 PolarHBondContact O-N 3.29Å
73	Q	97.8	Very high	97.4	Very high	1 Å²	1	79.4 Å²	79.4	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-68	-37.7	-179.6	-70.5	67	31.4	0	0	111.2	F61 R64 W65 R70 F76 M77	F61-Q73 HydrophobicContact CD2-CG 3.93Å; F61-Q73 HydrophobicContact CE2-CB 4.26Å; F61-Q73 HydrophobicContact CE2-CG 3.93Å; F61-Q73 HydrophobicContact CZ-CB 4.46Å; R64-Q73 HydrophobicContact CB-CG 4.05Å; W65-Q73 HydrophobicContact CB-CB 3.89Å; R70-Q73 PolarHBondContact O-N 3.42Å; Q73-F76 PolarHBondContact O-N 3.06Å; Q73-M77 WeakPolarHBondContact O-CB 3.48Å; Q73-M77 VanDerWaalsContact O-CG 3.31Å; Q73-M77 WeakPolarHBondContact O-CG 3.21Å; Q73-M77 PolarHBondContact O-N 3.32Å
74	T	97.3	Very high	97.2	Very high	57 Å²	57	83.8 Å²	83.8	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-44.6	178.4	-56.5	0	0	0	0	112.1	R70 K71 E72 M77 R78	R70-T74 WeakPolarHBondContact O-CB 3.27Å; R70-T74 PolarHBondContact O-N 2.78Å; R70-T74 PolarHBondContact O-OG1 3.08Å; K71-T74 PolarHBondContact O-N 2.89Å; E72-T74 PolarHBondContact O-N 3.06Å; T74-M77 PolarHBondContact O-N 3.25Å; T74-R78 WeakPolarHBondContact O-CB 3.14Å; T74-R78 PolarHBondContact O-N 2.7Å
75	E	97.5	Very high	97.2	Very high	89 Å²	89	83.9 Å²	83.9	42%	0.416	40%	0.398	S	S	.	.	H	α-helix	trans	-68.5	-39.6	176.9	-74.6	-176.9	159.1	0	0	112	K71 E72 M77 R78 K79	K71-E75 WeakPolarHBondContact CE-OE1 3.41Å; K71-E75 HydrophobicContact CG-CG 4.11Å; K71-E75 IonicContact NZ-OE1 2.72Å; K71-E75 WeakPolarHBondContact O-CB 3.18Å; K71-E75 WeakPolarHBondContact O-CG 3.45Å; K71-E75 PolarHBondContact O-N 2.73Å; E72-E75 PolarHBondContact O-N 2.9Å; E75-M77 VanDerWaalsContact C-N 3.34Å; E75-R78 PolarHBondContact O-N 2.87Å; E75-K79 VanDerWaalsContact O-CB 3.26Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 2.81Å
76	F	97.7	Very high	97.2	Very high	17 Å²	17	84.2 Å²	84.2	8%	0.075	41%	0.409	C	S	.	.	H	α-helix	trans	-59.2	-45.8	173.6	176.8	-92.3	0	0	0	111.6	P52 Y54 F61 E72 Q73 K79 N80 Y81 R292	P52-F76 HydrophobicContact CB-CE1 4.3Å; P52-F76 WeakPolarHBondContact O-CZ 3.49Å; Y54-F76 HydrophobicContact CD1-CB 3.71Å; Y54-F76 AromaticContact CD1-CD1 3.9Å; Y54-F76 HydrophobicContact CD1-CD1 3.9Å; Y54-F76 AromaticContact CD1-CD2 3.37Å; Y54-F76 HydrophobicContact CD1-CD2 3.37Å; Y54-F76 HydrophobicContact CD1-CE1 4.26Å; Y54-F76 AromaticContact CD1-CE2 3.78Å; Y54-F76 HydrophobicContact CD1-CE2 3.78Å; Y54-F76 AromaticContact CD1-CG 3.4Å; Y54-F76 HydrophobicContact CD1-CG 3.4Å; Y54-F76 VanDerWaalsContact CD1-CG 3.4Å; Y54-F76 HydrophobicContact CD1-CZ 4.18Å; Y54-F76 AromaticContact CD2-CD2 3.88Å; Y54-F76 HydrophobicContact CD2-CD2 3.88Å; Y54-F76 AromaticContact CD2-CE2 3.73Å; Y54-F76 HydrophobicContact CD2-CE2 3.73Å; Y54-F76 HydrophobicContact CD2-CZ 4.44Å; Y54-F76 HydrophobicContact CE1-CB 3.49Å; Y54-F76 VanDerWaalsContact CE1-CB 3.49Å; Y54-F76 AromaticContact CE1-CD2 3.54Å; Y54-F76 HydrophobicContact CE1-CD2 3.54Å; Y54-F76 HydrophobicContact CE1-CE2 4.31Å; Y54-F76 AromaticContact CE1-CG 3.64Å; Y54-F76 HydrophobicContact CE1-CG 3.64Å; Y54-F76 HydrophobicContact CE2-CD2 4.09Å; Y54-F76 HydrophobicContact CE2-CE2 4.32Å; Y54-F76 HydrophobicContact CG-CD1 4.37Å; Y54-F76 AromaticContact CG-CD2 3.54Å; Y54-F76 HydrophobicContact CG-CD2 3.54Å; Y54-F76 HydrophobicContact CG-CE1 4.29Å; Y54-F76 AromaticContact CG-CE2 3.45Å; Y54-F76 HydrophobicContact CG-CE2 3.45Å; Y54-F76 VanDerWaalsContact CG-CE2 3.45Å; Y54-F76 AromaticContact CG-CG 3.99Å; Y54-F76 HydrophobicContact CG-CG 3.99Å; Y54-F76 AromaticContact CG-CZ 3.81Å; Y54-F76 HydrophobicContact CG-CZ 3.81Å; Y54-F76 AromaticContact CZ-CD2 3.93Å; F61-F76 AromaticContact CE2-CD1 3.84Å; F61-F76 HydrophobicContact CE2-CD1 3.84Å; F61-F76 AromaticContact CE2-CE1 3.96Å; F61-F76 HydrophobicContact CE2-CE1 3.96Å; F61-F76 AromaticContact CZ-CD1 3.85Å; F61-F76 HydrophobicContact CZ-CD1 3.85Å; F61-F76 HydrophobicContact CZ-CE1 4.06Å; E72-F76 VanDerWaalsContact O-CB 3.28Å; E72-F76 WeakPolarHBondContact O-CB 3.31Å; E72-F76 PolarHBondContact O-N 3.29Å; Q73-F76 PolarHBondContact O-N 3.06Å; F76-K79 PolarHBondContact O-N 3.44Å; F76-N80 WeakPolarHBondContact CD2-ND2 3.48Å; F76-N80 WeakPolarHBondContact O-CB 3.37Å; F76-N80 PolarHBondContact O-N 3.21Å; F76-N80 VanDerWaalsContact O-N 3.08Å; F76-N80 PolarHBondContact O-ND2 2.86Å; F76-Y81 HydrophobicContact CD1-CE2 4.17Å; F76-Y81 AromaticContact CE1-CE2 3.69Å; F76-Y81 HydrophobicContact CE1-CE2 3.69Å; F76-Y81 HydrophobicContact CZ-CE2 4.42Å; F76-R292 VanDerWaalsContact CZ-CZ 3.43Å
77	M	97.9	Very high	97.2	Very high	9 Å²	9	80.8 Å²	80.8	4%	0.044	39%	0.393	C	S	.	.	H	α-helix	trans	-62.2	-48.4	176.4	-73.1	-55.5	-66.2	0	0	111.6	F61 W65 Q73 T74 E75 K79 N80 Y81 F85 F90	F61-M77 HydrophobicContact CE1-CG 4.11Å; F61-M77 HydrophobicContact CE1-SD 3.77Å; F61-M77 HydrophobicContact CZ-CG 3.78Å; F61-M77 HydrophobicContact CZ-SD 3.54Å; F61-M77 VanDerWaalsContact CZ-SD 3.54Å; W65-M77 HydrophobicContact CD2-CG 3.76Å; W65-M77 HydrophobicContact CE3-CG 4.26Å; W65-M77 HydrophobicContact CG-CG 4.16Å; W65-M77 HydrophobicContact CH2-CE 3.59Å; W65-M77 HydrophobicContact CH2-CG 4.41Å; W65-M77 HydrophobicContact CZ2-CB 4.18Å; W65-M77 HydrophobicContact CZ2-CE 3.84Å; W65-M77 HydrophobicContact CZ2-CG 3.9Å; W65-M77 HydrophobicContact CZ3-CE 3.95Å; Q73-M77 WeakPolarHBondContact O-CB 3.48Å; Q73-M77 VanDerWaalsContact O-CG 3.31Å; Q73-M77 WeakPolarHBondContact O-CG 3.21Å; Q73-M77 PolarHBondContact O-N 3.32Å; T74-M77 PolarHBondContact O-N 3.25Å; E75-M77 VanDerWaalsContact C-N 3.34Å; M77-K79 VanDerWaalsContact C-N 3.27Å; M77-K79 PolarHBondContact O-N 3.01Å; M77-N80 PolarHBondContact O-N 3.41Å; M77-Y81 HydrophobicContact CE-CD2 3.71Å; M77-Y81 HydrophobicContact CE-CE2 4.35Å; M77-Y81 HydrophobicContact CE-CG 3.8Å; M77-Y81 PolarHBondContact O-N 2.99Å; M77-Y81 HydrophobicContact SD-CD2 3.48Å; M77-Y81 WeakPolarHBondContact SD-CD2 3.21Å; M77-Y81 HydrophobicContact SD-CE2 3.73Å; M77-Y81 HydrophobicContact SD-CG 4.2Å; M77-F85 HydrophobicContact CE-CD1 3.63Å; M77-F85 HydrophobicContact CE-CE1 4.29Å; M77-F85 HydrophobicContact CE-CG 4.4Å; M77-F90 HydrophobicContact CE-CE2 4.2Å; M77-F90 HydrophobicContact CE-CZ 3.72Å; M77-F90 HydrophobicContact SD-CE2 4.37Å; M77-F90 HydrophobicContact SD-CZ 3.72Å
78	R	97.5	Very high	97.2	Very high	192 Å²	192	82.3 Å²	82.3	73%	0.725	40%	0.402	S	S	*	.	H	α-helix	trans	-59.7	-35.4	178.6	-171.2	-172.2	66.7	78.1	-1.2	113.2	T74 E75	T74-R78 WeakPolarHBondContact O-CB 3.14Å; T74-R78 PolarHBondContact O-N 2.7Å; E75-R78 PolarHBondContact O-N 2.87Å
79	K	97.8	Very high	97.2	Very high	169 Å²	169	81.7 Å²	81.7	74%	0.735	40%	0.402	S	S	*	.	H	α-helix	trans	-81.2	-34.7	-176	-177.1	178.9	176.6	-175.6	0	112.9	E75 F76 M77	E75-K79 VanDerWaalsContact O-CB 3.26Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 2.81Å; F76-K79 PolarHBondContact O-N 3.44Å; M77-K79 VanDerWaalsContact C-N 3.27Å; M77-K79 PolarHBondContact O-N 3.01Å
80	N	97.7	Very high	97.2	Very high	80 Å²	80	75.7 Å²	75.7	43%	0.428	37%	0.374	S	S	.	.	H	α-helix	trans	-112.4	-12.6	-166.4	-58.9	-74.3	0	0	0	114.1	F76 M77	F76-N80 WeakPolarHBondContact CD2-ND2 3.48Å; F76-N80 WeakPolarHBondContact O-CB 3.37Å; F76-N80 PolarHBondContact O-N 3.21Å; F76-N80 VanDerWaalsContact O-N 3.08Å; F76-N80 PolarHBondContact O-ND2 2.86Å; M77-N80 PolarHBondContact O-N 3.41Å
81	Y	97.1	Very high	97.2	Very high	36 Å²	36	71.1 Å²	71.1	14%	0.141	36%	0.357	C	S	.	.	S	Bend	trans	-126.9	153	-177.2	-59.4	-88.7	0	0	0	111.5	F76 M77 F85 F90 M93	F76-Y81 HydrophobicContact CD1-CE2 4.17Å; F76-Y81 AromaticContact CE1-CE2 3.69Å; F76-Y81 HydrophobicContact CE1-CE2 3.69Å; F76-Y81 HydrophobicContact CZ-CE2 4.42Å; M77-Y81 HydrophobicContact CE-CD2 3.71Å; M77-Y81 HydrophobicContact CE-CE2 4.35Å; M77-Y81 HydrophobicContact CE-CG 3.8Å; M77-Y81 PolarHBondContact O-N 2.99Å; M77-Y81 HydrophobicContact SD-CD2 3.48Å; M77-Y81 WeakPolarHBondContact SD-CD2 3.21Å; M77-Y81 HydrophobicContact SD-CE2 3.73Å; M77-Y81 HydrophobicContact SD-CG 4.2Å; Y81-F85 HydrophobicContact CD1-CD1 4.15Å; Y81-F85 HydrophobicContact CD1-CD2 4.12Å; Y81-F85 AromaticContact CD1-CE1 3.96Å; Y81-F85 HydrophobicContact CD1-CE1 3.96Å; Y81-F85 AromaticContact CD1-CE2 3.93Å; Y81-F85 HydrophobicContact CD1-CE2 3.93Å; Y81-F85 HydrophobicContact CD1-CG 4.22Å; Y81-F85 AromaticContact CD1-CZ 3.85Å; Y81-F85 HydrophobicContact CD1-CZ 3.85Å; Y81-F85 HydrophobicContact CE1-CE1 4.4Å; Y81-F85 HydrophobicContact CE1-CZ 4.24Å; Y81-F85 HydrophobicContact CG-CD1 4.36Å; Y81-F85 HydrophobicContact CG-CG 4.39Å; Y81-F90 HydrophobicContact CD1-CE1 4.12Å; Y81-F90 HydrophobicContact CE1-CD1 4.33Å; Y81-F90 AromaticContact CE1-CE1 3.44Å; Y81-F90 HydrophobicContact CE1-CE1 3.44Å; Y81-F90 VanDerWaalsContact CE1-CE1 3.44Å; Y81-F90 HydrophobicContact CE1-CZ 4.2Å; Y81-F90 HydrophobicContact CE2-CE1 4.26Å; Y81-F90 HydrophobicContact CE2-CZ 4.34Å; Y81-F90 AromaticContact CZ-CE1 3.51Å; Y81-M93 HydrophobicContact CE1-CE 4.42Å
82	K	96.4	Very high	97.2	Very high	145 Å²	145	66.9 Å²	66.9	63%	0.63	35%	0.345	S	S	*	.			trans	-62.3	155	178.7	64.2	-178.8	-177.9	-178.4	0	111	F85	K82-F85 HydrophobicContact CG-CB 4.17Å; K82-F85 HydrophobicContact CG-CD2 4.06Å; K82-F85 VanDerWaalsContact O-CB 3.27Å; K82-F85 WeakPolarHBondContact O-CB 3.34Å; K82-F85 PolarHBondContact O-N 3.16Å
83	P	95.2	Very high	97.3	Very high	114 Å²	114	66.9 Å²	66.9	74%	0.74	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	145.8	169.8	-25.2	34.6	0	0	0	111.8	F85	P83-F85 PolarHBondContact O-N 2.83Å
84	N	94.5	Very high	97.3	Very high	166 Å²	166	66.9 Å²	66.9	89%	0.888	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	14.4	-178.7	-50.5	-34.9	0	0	0	115.5	G86	N84-G86 PolarHBondContact O-N 3.06Å
85	F	97.6	Very high	97.1	Very high	27 Å²	27	69.3 Å²	69.3	12%	0.118	35%	0.352	C	S	.	.			trans	-62.5	121.9	169.3	-165.8	-81.2	0	0	0	109.2	W65 M77 Y81 K82 P83 D89 F90 M93	W65-F85 VanDerWaalsContact CH2-O 3.28Å; W65-F85 WeakPolarHBondContact CH2-O 3.4Å; M77-F85 HydrophobicContact CE-CD1 3.63Å; M77-F85 HydrophobicContact CE-CE1 4.29Å; M77-F85 HydrophobicContact CE-CG 4.4Å; Y81-F85 HydrophobicContact CD1-CD1 4.15Å; Y81-F85 HydrophobicContact CD1-CD2 4.12Å; Y81-F85 AromaticContact CD1-CE1 3.96Å; Y81-F85 HydrophobicContact CD1-CE1 3.96Å; Y81-F85 AromaticContact CD1-CE2 3.93Å; Y81-F85 HydrophobicContact CD1-CE2 3.93Å; Y81-F85 HydrophobicContact CD1-CG 4.22Å; Y81-F85 AromaticContact CD1-CZ 3.85Å; Y81-F85 HydrophobicContact CD1-CZ 3.85Å; Y81-F85 HydrophobicContact CE1-CE1 4.4Å; Y81-F85 HydrophobicContact CE1-CZ 4.24Å; Y81-F85 HydrophobicContact CG-CD1 4.36Å; Y81-F85 HydrophobicContact CG-CG 4.39Å; K82-F85 HydrophobicContact CG-CB 4.17Å; K82-F85 HydrophobicContact CG-CD2 4.06Å; K82-F85 VanDerWaalsContact O-CB 3.27Å; K82-F85 WeakPolarHBondContact O-CB 3.34Å; K82-F85 PolarHBondContact O-N 3.16Å; P83-F85 PolarHBondContact O-N 2.83Å; F85-D89 WeakPolarHBondContact CA-OD2 3.21Å; F85-D89 HydrophobicContact CD1-CB 3.95Å; F85-D89 HydrophobicContact CD2-CB 3.93Å; F85-D89 HydrophobicContact CE1-CB 3.59Å; F85-D89 HydrophobicContact CE2-CB 3.57Å; F85-D89 HydrophobicContact CG-CB 4.12Å; F85-D89 HydrophobicContact CZ-CB 3.39Å; F85-F90 HydrophobicContact CD1-CE1 4.47Å; F85-F90 HydrophobicContact CD1-CZ 4.35Å; F85-F90 AromaticContact CE1-CD1 3.6Å; F85-F90 HydrophobicContact CE1-CD1 3.6Å; F85-F90 HydrophobicContact CE1-CD2 4.14Å; F85-F90 AromaticContact CE1-CE1 3.5Å; F85-F90 HydrophobicContact CE1-CE1 3.5Å; F85-F90 VanDerWaalsContact CE1-CE1 3.5Å; F85-F90 HydrophobicContact CE1-CE2 4.03Å; F85-F90 AromaticContact CE1-CG 3.93Å; F85-F90 HydrophobicContact CE1-CG 3.93Å; F85-F90 AromaticContact CE1-CZ 3.72Å; F85-F90 HydrophobicContact CE1-CZ 3.72Å; F85-F90 AromaticContact CZ-CD1 3.83Å; F85-F90 HydrophobicContact CZ-CD1 3.83Å; F85-F90 AromaticContact CZ-CE1 3.96Å; F85-F90 HydrophobicContact CZ-CE1 3.96Å; F85-F90 HydrophobicContact CZ-CG 4.39Å; F85-M93 HydrophobicContact CE2-SD 4.47Å; F85-M93 HydrophobicContact CZ-SD 3.94Å
86	G	96.9	Very high	97.1	Very high	29 Å²	29	65.1 Å²	65.1	30%	0.299	33%	0.332	S	S	.	.			trans	-97.3	166	176.9	0	0	0	0	0	112.2	N84 A88 D89	N84-G86 PolarHBondContact O-N 3.06Å; G86-A88 VanDerWaalsContact C-N 3.28Å; G86-A88 PolarHBondContact O-N 3.45Å; G86-D89 PolarHBondContact N-OD2 3.29Å; G86-D89 WeakPolarHBondContact O-CB 3Å; G86-D89 PolarHBondContact O-N 2.9Å; G86-D89 VanDerWaalsContact O-N 3.09Å
87	Y	97.8	Very high	97.1	Very high	6 Å²	6	69.7 Å²	69.7	2%	0.024	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-63.3	-35.2	-179.6	-168.2	-101	0	0	0	112.6	L48 Y49 F61 W62 W65 D89 F90 E124	L48-Y87 HydrophobicContact CB-CE1 4.33Å; L48-Y87 HydrophobicContact CD2-CD1 4.12Å; L48-Y87 HydrophobicContact CD2-CE1 3.78Å; L48-Y87 HydrophobicContact CG-CE1 4.09Å; Y49-Y87 WeakPolarHBondContact CA-OH 3.46Å; Y49-Y87 PolarHBondContact N-OH 3.29Å; F61-Y87 HydrophobicContact CD1-CD2 4.37Å; F61-Y87 AromaticContact CD1-CE2 4Å; F61-Y87 HydrophobicContact CD1-CE2 4Å; W62-Y87 HydrophobicContact CB-CD1 4.22Å; W62-Y87 HydrophobicContact CB-CD2 3.64Å; W62-Y87 HydrophobicContact CB-CE1 4.12Å; W62-Y87 HydrophobicContact CB-CE2 3.55Å; W62-Y87 HydrophobicContact CB-CG 3.99Å; W62-Y87 AromaticContact CD1-CD2 3.75Å; W62-Y87 AromaticContact CD1-CG 3.64Å; W62-Y87 AromaticContact CD2-CD1 3.47Å; W62-Y87 HydrophobicContact CD2-CD1 3.47Å; W62-Y87 VanDerWaalsContact CD2-CD1 3.47Å; W62-Y87 HydrophobicContact CD2-CD2 4.16Å; W62-Y87 HydrophobicContact CD2-CE1 4.01Å; W62-Y87 AromaticContact CD2-CG 3.55Å; W62-Y87 HydrophobicContact CD2-CG 3.55Å; W62-Y87 AromaticContact CE2-CD1 3.94Å; W62-Y87 AromaticContact CE2-CG 3.8Å; W62-Y87 AromaticContact CE3-CD1 3.62Å; W62-Y87 HydrophobicContact CE3-CD1 3.62Å; W62-Y87 AromaticContact CE3-CE1 3.89Å; W62-Y87 HydrophobicContact CE3-CE1 3.89Å; W62-Y87 HydrophobicContact CE3-CG 4.2Å; W62-Y87 AromaticContact CG-CD1 3.78Å; W62-Y87 HydrophobicContact CG-CD1 3.78Å; W62-Y87 AromaticContact CG-CD2 3.55Å; W62-Y87 HydrophobicContact CG-CD2 3.55Å; W62-Y87 HydrophobicContact CG-CE1 4.16Å; W62-Y87 AromaticContact CG-CE2 3.98Å; W62-Y87 HydrophobicContact CG-CE2 3.98Å; W62-Y87 AromaticContact CG-CG 3.45Å; W62-Y87 HydrophobicContact CG-CG 3.45Å; W62-Y87 VanDerWaalsContact CG-CG 3.45Å; W62-Y87 HydrophobicContact CZ2-CD1 4.45Å; W62-Y87 HydrophobicContact CZ3-CD1 4.17Å; W62-Y87 AromaticContact NE1-CG 3.85Å; W65-Y87 HydrophobicContact CE3-CD2 4.44Å; W65-Y87 HydrophobicContact CZ3-CD2 4.37Å; Y87-D89 PolarHBondContact O-N 3.27Å; Y87-F90 AromaticContact CD2-CD2 3.63Å; Y87-F90 HydrophobicContact CD2-CD2 3.63Å; Y87-F90 AromaticContact CD2-CE2 3.76Å; Y87-F90 HydrophobicContact CD2-CE2 3.76Å; Y87-F90 AromaticContact CE2-CD2 3.9Å; Y87-F90 HydrophobicContact CE2-CD2 3.9Å; Y87-F90 HydrophobicContact CE2-CE2 4.12Å; Y87-F90 HydrophobicContact CG-CD2 4.16Å; Y87-F90 WeakPolarHBondContact O-CB 3.42Å; Y87-F90 VanDerWaalsContact O-CD2 3.25Å; Y87-F90 WeakPolarHBondContact O-CD2 3.29Å; Y87-F90 PolarHBondContact O-N 2.94Å; Y87-F90 VanDerWaalsContact O-N 3.09Å; Y87-E124 HydrophobicContact CE1-CB 3.8Å; Y87-E124 HydrophobicContact CE1-CG 4Å
88	A	96.6	Very high	97.1	Very high	58 Å²	58	75.4 Å²	75.4	48%	0.479	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-64.6	-21.6	176.2	0	0	0	0	0	113.8	G86 F90 A91 F137	G86-A88 VanDerWaalsContact C-N 3.28Å; G86-A88 PolarHBondContact O-N 3.45Å; A88-F90 PolarHBondContact O-N 3.44Å; A88-A91 WeakPolarHBondContact O-CB 3.47Å; A88-A91 PolarHBondContact O-N 2.91Å; A88-F137 HydrophobicContact CB-CD2 4.44Å; A88-F137 HydrophobicContact CB-CE2 3.97Å
89	D	97.7	Very high	97.1	Very high	71 Å²	71	66.7 Å²	66.7	38%	0.38	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-68.4	-13.7	175.6	-65.5	-41.9	0	0	0	112.3	F85 G86 Y87 A91	F85-D89 WeakPolarHBondContact CA-OD2 3.21Å; F85-D89 HydrophobicContact CD1-CB 3.95Å; F85-D89 HydrophobicContact CD2-CB 3.93Å; F85-D89 HydrophobicContact CE1-CB 3.59Å; F85-D89 HydrophobicContact CE2-CB 3.57Å; F85-D89 HydrophobicContact CG-CB 4.12Å; F85-D89 HydrophobicContact CZ-CB 3.39Å; G86-D89 PolarHBondContact N-OD2 3.29Å; G86-D89 WeakPolarHBondContact O-CB 3Å; G86-D89 PolarHBondContact O-N 2.9Å; G86-D89 VanDerWaalsContact O-N 3.09Å; Y87-D89 PolarHBondContact O-N 3.27Å; D89-A91 VanDerWaalsContact C-N 3.31Å
90	F	98.3	Very high	97.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-70.8	-25.6	169.4	-68.8	-55.8	0	0	0	112.8	L48 V51 P52 F61 M77 Y81 F85 Y87 A88 M93 M94	L48-F90 HydrophobicContact CD1-CB 3.66Å; L48-F90 HydrophobicContact CD2-CB 4.24Å; L48-F90 HydrophobicContact CG-CB 3.92Å; V51-F90 HydrophobicContact CB-CB 4.2Å; V51-F90 HydrophobicContact CB-CD1 4.15Å; V51-F90 HydrophobicContact CB-CG 4.4Å; V51-F90 HydrophobicContact CG1-CB 4.17Å; V51-F90 HydrophobicContact CG1-CD1 3.52Å; V51-F90 HydrophobicContact CG1-CE1 4.24Å; V51-F90 HydrophobicContact CG1-CG 4.19Å; P52-F90 HydrophobicContact CB-CE1 4.2Å; P52-F90 HydrophobicContact CB-CE2 4.25Å; P52-F90 HydrophobicContact CB-CZ 3.85Å; P52-F90 HydrophobicContact CG-CD2 4.41Å; P52-F90 HydrophobicContact CG-CE2 4.1Å; P52-F90 HydrophobicContact CG-CZ 4.17Å; F61-F90 HydrophobicContact CE1-CE2 4.15Å; F61-F90 HydrophobicContact CE1-CZ 4.35Å; M77-F90 HydrophobicContact CE-CE2 4.2Å; M77-F90 HydrophobicContact CE-CZ 3.72Å; M77-F90 HydrophobicContact SD-CE2 4.37Å; M77-F90 HydrophobicContact SD-CZ 3.72Å; Y81-F90 HydrophobicContact CD1-CE1 4.12Å; Y81-F90 HydrophobicContact CE1-CD1 4.33Å; Y81-F90 AromaticContact CE1-CE1 3.44Å; Y81-F90 HydrophobicContact CE1-CE1 3.44Å; Y81-F90 VanDerWaalsContact CE1-CE1 3.44Å; Y81-F90 HydrophobicContact CE1-CZ 4.2Å; Y81-F90 HydrophobicContact CE2-CE1 4.26Å; Y81-F90 HydrophobicContact CE2-CZ 4.34Å; Y81-F90 AromaticContact CZ-CE1 3.51Å; F85-F90 HydrophobicContact CD1-CE1 4.47Å; F85-F90 HydrophobicContact CD1-CZ 4.35Å; F85-F90 AromaticContact CE1-CD1 3.6Å; F85-F90 HydrophobicContact CE1-CD1 3.6Å; F85-F90 HydrophobicContact CE1-CD2 4.14Å; F85-F90 AromaticContact CE1-CE1 3.5Å; F85-F90 HydrophobicContact CE1-CE1 3.5Å; F85-F90 VanDerWaalsContact CE1-CE1 3.5Å; F85-F90 HydrophobicContact CE1-CE2 4.03Å; F85-F90 AromaticContact CE1-CG 3.93Å; F85-F90 HydrophobicContact CE1-CG 3.93Å; F85-F90 AromaticContact CE1-CZ 3.72Å; F85-F90 HydrophobicContact CE1-CZ 3.72Å; F85-F90 AromaticContact CZ-CD1 3.83Å; F85-F90 HydrophobicContact CZ-CD1 3.83Å; F85-F90 AromaticContact CZ-CE1 3.96Å; F85-F90 HydrophobicContact CZ-CE1 3.96Å; F85-F90 HydrophobicContact CZ-CG 4.39Å; Y87-F90 AromaticContact CD2-CD2 3.63Å; Y87-F90 HydrophobicContact CD2-CD2 3.63Å; Y87-F90 AromaticContact CD2-CE2 3.76Å; Y87-F90 HydrophobicContact CD2-CE2 3.76Å; Y87-F90 AromaticContact CE2-CD2 3.9Å; Y87-F90 HydrophobicContact CE2-CD2 3.9Å; Y87-F90 HydrophobicContact CE2-CE2 4.12Å; Y87-F90 HydrophobicContact CG-CD2 4.16Å; Y87-F90 WeakPolarHBondContact O-CB 3.42Å; Y87-F90 VanDerWaalsContact O-CD2 3.25Å; Y87-F90 WeakPolarHBondContact O-CD2 3.29Å; Y87-F90 PolarHBondContact O-N 2.94Å; Y87-F90 VanDerWaalsContact O-N 3.09Å; A88-F90 PolarHBondContact O-N 3.44Å; F90-M93 HydrophobicContact CD1-SD 4.1Å; F90-M93 WeakPolarHBondContact O-CA 3.31Å; F90-M93 VanDerWaalsContact O-CB 3.24Å; F90-M93 WeakPolarHBondContact O-CB 3.22Å; F90-M93 PolarHBondContact O-N 3.42Å; F90-M94 PolarHBondContact O-N 2.87Å
91	A	98	Very high	97.2	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-59.7	-43.9	-168.4	0	0	0	0	0	113.1	L48 A88 D89 M93 M94 Y126 F137 T142 G143	L48-A91 VanDerWaalsContact CD1-CA 3.5Å; L48-A91 HydrophobicContact CD1-CB 4.24Å; L48-A91 HydrophobicContact CD2-CB 4.12Å; A88-A91 WeakPolarHBondContact O-CB 3.47Å; A88-A91 PolarHBondContact O-N 2.91Å; D89-A91 VanDerWaalsContact C-N 3.31Å; A91-M93 PolarHBondContact O-N 3.24Å; A91-M93 VanDerWaalsContact O-N 3.1Å; A91-M94 PolarHBondContact O-N 3.09Å; A91-Y126 HydrophobicContact CB-CE2 4.11Å; A91-F137 HydrophobicContact CB-CE2 4.42Å; A91-T142 HydrophobicContact CB-CG2 3.62Å; A91-G143 WeakPolarHBondContact O-CA 3.47Å
92	P	97.3	Very high	97.3	Very high	62 Å²	62	61.3 Å²	61.3	40%	0.403	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-64.4	-14.3	173.7	-22.2	35	0	0	0	114.9	K95	P92-K95 WeakPolarHBondContact O-CD 3.45Å; P92-K95 WeakPolarHBondContact O-CE 3.44Å; P92-K95 PolarHBondContact O-NZ 2.68Å
93	M	98	Very high	97.4	Very high	75 Å²	75	57.9 Å²	57.9	37%	0.369	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-92.5	-13.3	-178.8	-54.7	175.3	59.9	0	0	113.1	V51 Y81 F85 F90 A91 K95 H327	V51-M93 HydrophobicContact CG1-CB 3.69Å; V51-M93 HydrophobicContact CG1-CE 3.93Å; V51-M93 HydrophobicContact CG1-SD 4.18Å; V51-M93 HydrophobicContact CG2-CB 4.33Å; Y81-M93 HydrophobicContact CE1-CE 4.42Å; F85-M93 HydrophobicContact CE2-SD 4.47Å; F85-M93 HydrophobicContact CZ-SD 3.94Å; F90-M93 HydrophobicContact CD1-SD 4.1Å; F90-M93 WeakPolarHBondContact O-CA 3.31Å; F90-M93 VanDerWaalsContact O-CB 3.24Å; F90-M93 WeakPolarHBondContact O-CB 3.22Å; F90-M93 PolarHBondContact O-N 3.42Å; A91-M93 PolarHBondContact O-N 3.24Å; A91-M93 VanDerWaalsContact O-N 3.1Å; M93-K95 VanDerWaalsContact C-N 3.35Å; M93-K95 PolarHBondContact O-N 3.49Å; M93-H327 PolarHBondContact O-CD2 3.47Å
94	M	97.6	Very high	97.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.28	C	S	.	.			trans	-76.9	87.4	169.3	-173.5	172	179.9	0	0	108.6	W46 L48 V51 F90 A91 Y126 L128 G143 P144 L148	W46-M94 HydrophobicContact CD2-CE 3.96Å; W46-M94 HydrophobicContact CG-CE 4.29Å; W46-M94 HydrophobicContact CZ2-CE 3.94Å; L48-M94 HydrophobicContact CD1-CB 4.23Å; V51-M94 HydrophobicContact CG2-CB 3.84Å; F90-M94 PolarHBondContact O-N 2.87Å; A91-M94 PolarHBondContact O-N 3.09Å; M94-Y126 HydrophobicContact SD-CD1 4.4Å; M94-Y126 HydrophobicContact SD-CE1 3.69Å; M94-L128 HydrophobicContact CE-CD2 3.91Å; M94-G143 CarbonylContact O-C 3.24Å; M94-G143 VanDerWaalsContact O-C 3.24Å; M94-G143 VanDerWaalsContact O-CA 3.31Å; M94-G143 WeakPolarHBondContact O-CA 3.35Å; M94-P144 HydrophobicContact CG-CG 4.33Å; M94-P144 WeakPolarHBondContact O-CD 3.41Å; M94-P144 VanDerWaalsContact O-CG 3.28Å; M94-P144 WeakPolarHBondContact O-CG 3.31Å; M94-L148 HydrophobicContact CE-CD1 4.38Å
95	K	94.8	Very high	97.7	Very high	109 Å²	109	44.9 Å²	44.9	47%	0.474	24%	0.239	S	C	.	.			trans	-90	-31.1	-166.6	-74	-56.7	-169.2	-161.1	0	114.7	P92 M93 E97 H327	P92-K95 WeakPolarHBondContact O-CD 3.45Å; P92-K95 WeakPolarHBondContact O-CE 3.44Å; P92-K95 PolarHBondContact O-NZ 2.68Å; M93-K95 VanDerWaalsContact C-N 3.35Å; M93-K95 PolarHBondContact O-N 3.49Å; K95-E97 WeakPolarHBondContact CB-OE2 3.25Å; K95-E97 PolarHBondContact O-N 3.37Å; K95-E97 VanDerWaalsContact O-N 3.11Å; K95-H327 PolarHBondContact N-O 3.1Å
96	C	97.4	Very high	97.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	25%	0.246	C	C	.	.			trans	52.5	29.1	179.9	-55.6	0	0	0	0	114.3	W46 F98 F99 P144 R146 H327 D328	W46-C96 HydrophobicContact CH2-CB 4.27Å; W46-C96 WeakPolarHBondContact CH2-SG 3.44Å; W46-C96 HydrophobicContact CZ2-CB 4.31Å; W46-C96 WeakPolarHBondContact CZ2-SG 3.49Å; C96-F98 PolarHBondContact O-N 3.32Å; C96-F99 HydrophobicContact CB-CB 3.82Å; C96-F99 VanDerWaalsContact O-CB 3.26Å; C96-F99 WeakPolarHBondContact O-CB 3.2Å; C96-F99 PolarHBondContact O-N 3.13Å; C96-P144 HydrophobicContact CB-CB 3.97Å; C96-P144 HydrophobicContact CB-CG 4.11Å; C96-P144 WeakPolarHBondContact SG-CG 3.39Å; C96-R146 PolarHBondContact O-NH1 3.34Å; C96-H327 PolarHBondContact N-O 2.99Å; C96-D328 CarbonylContact C-O 3.55Å; C96-D328 VanDerWaalsContact C-O 3.3Å; C96-D328 WeakPolarHBondContact CA-O 3.36Å
97	E	97	Very high	97.8	Very high	113 Å²	113	44.8 Å²	44.8	53%	0.528	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.2	-174.5	65.2	-91.4	-132.4	0	0	113.3	K95 D328	K95-E97 WeakPolarHBondContact CB-OE2 3.25Å; K95-E97 PolarHBondContact O-N 3.37Å; K95-E97 VanDerWaalsContact O-N 3.11Å; E97-D328 HydrophobicContact CG-CB 4.5Å; E97-D328 PolarHBondContact N-O 2.92Å; E97-D328 WeakPolarHBondContact OE2-CA 3.24Å; E97-D328 VanDerWaalsContact OE2-CB 3.31Å; E97-D328 WeakPolarHBondContact OE2-CB 3.46Å
98	F	98.1	Very high	97.8	Very high	128 Å²	128	44.7 Å²	44.7	56%	0.561	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	6.4	173.9	-57.7	-60.9	0	0	0	112.7	C96 N100 D328 R330	C96-F98 PolarHBondContact O-N 3.32Å; F98-N100 PolarHBondContact O-N 3.43Å; F98-D328 WeakPolarHBondContact CA-O 3.26Å; F98-D328 WeakPolarHBondContact CB-O 3.45Å; F98-D328 HydrophobicContact CD2-CB 3.98Å; F98-D328 PolarHBondContact N-O 2.97Å; F98-R330 HydrophobicContact CB-CG 3.59Å; F98-R330 HydrophobicContact CD2-CG 4.35Å; F98-R330 HydrophobicContact CG-CG 4.3Å
99	F	98.4	Very high	97.9	Very high	10 Å²	10	47.8 Å²	47.8	4%	0.044	23%	0.233	C	C	.	.			trans	-69.6	120.9	179.2	177.9	-117.9	0	0	0	112	W46 C96 A101 F104 R146 L148 E151 L152 G329	W46-F99 HydrophobicContact CH2-CB 4.26Å; W46-F99 HydrophobicContact CH2-CD1 4.31Å; W46-F99 AromaticContact CH2-CD2 3.74Å; W46-F99 HydrophobicContact CH2-CD2 3.74Å; W46-F99 HydrophobicContact CH2-CE2 4.21Å; W46-F99 AromaticContact CH2-CG 3.82Å; W46-F99 HydrophobicContact CH2-CG 3.82Å; W46-F99 HydrophobicContact CZ3-CD2 4.03Å; W46-F99 HydrophobicContact CZ3-CE2 4.03Å; W46-F99 HydrophobicContact CZ3-CG 4.4Å; W46-F99 HydrophobicContact CZ3-CZ 4.4Å; C96-F99 HydrophobicContact CB-CB 3.82Å; C96-F99 VanDerWaalsContact O-CB 3.26Å; C96-F99 WeakPolarHBondContact O-CB 3.2Å; C96-F99 PolarHBondContact O-N 3.13Å; F99-A101 HydrophobicContact CE1-CB 4.17Å; F99-A101 HydrophobicContact CZ-CB 3.76Å; F99-F104 AromaticContact CD2-CD2 3.92Å; F99-F104 HydrophobicContact CD2-CD2 3.92Å; F99-F104 AromaticContact CD2-CE2 3.91Å; F99-F104 HydrophobicContact CD2-CE2 3.91Å; F99-F104 AromaticContact CE2-CD2 3.64Å; F99-F104 HydrophobicContact CE2-CD2 3.64Å; F99-F104 AromaticContact CE2-CE2 3.98Å; F99-F104 HydrophobicContact CE2-CE2 3.98Å; F99-R146 PolarHBondContact O-NH1 2.9Å; F99-R146 PolarHBondContact O-NH2 2.71Å; F99-L148 HydrophobicContact CD1-CD2 3.53Å; F99-L148 HydrophobicContact CE1-CD2 3.6Å; F99-L148 HydrophobicContact CG-CD2 4.4Å; F99-L148 HydrophobicContact CZ-CD2 4.49Å; F99-E151 HydrophobicContact CE1-CB 4.38Å; F99-L152 HydrophobicContact CE2-CD2 4.04Å; F99-L152 HydrophobicContact CE2-CG 4.34Å; F99-L152 HydrophobicContact CZ-CD1 4.26Å; F99-L152 HydrophobicContact CZ-CD2 3.82Å; F99-L152 HydrophobicContact CZ-CG 3.78Å; F99-G329 WeakPolarHBondContact CA-O 3.39Å
100	N	98.3	Very high	97.9	Very high	82 Å²	82	48.7 Å²	48.7	44%	0.439	23%	0.233	S	C	.	.			trans	-130.7	108.7	173.7	-178.8	-20.8	0	0	0	110.2	F98 D102 H103 F104	F98-N100 PolarHBondContact O-N 3.43Å; N100-D102 VanDerWaalsContact C-N 3.35Å; N100-D102 PolarHBondContact O-N 2.91Å; N100-D102 WeakPolarHBondContact OD1-CB 3.33Å; N100-D102 PolarHBondContact OD1-N 3.42Å; N100-H103 HydrophobicContact CB-CB 3.95Å; N100-H103 PolarHBondContact O-N 3.4Å; N100-H103 PolarHBondContact OD1-N 3.05Å; N100-H103 VanDerWaalsContact OD1-N 3.09Å; N100-F104 PolarHBondContact O-N 3.14Å; N100-F104 VanDerWaalsContact O-N 3.09Å
101	A	98.4	Very high	97.9	Very high	9 Å²	9	48.7 Å²	48.7	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-36.5	-178.9	0	0	0	0	0	113.2	F99 F104 A105 E151 L152 A155	F99-A101 HydrophobicContact CE1-CB 4.17Å; F99-A101 HydrophobicContact CZ-CB 3.76Å; A101-F104 PolarHBondContact O-N 3.25Å; A101-A105 WeakPolarHBondContact O-CB 3.3Å; A101-A105 PolarHBondContact O-N 2.98Å; A101-E151 HydrophobicContact CB-CB 4.18Å; A101-L152 HydrophobicContact CB-CD2 4.22Å; A101-A155 VanDerWaalsContact C-CB 3.5Å; A101-A155 HydrophobicContact CB-CB 3.75Å; A101-A155 VanDerWaalsContact O-CB 3.28Å; A101-A155 WeakPolarHBondContact O-CB 3.49Å
102	D	98.5	Very high	97.9	Very high	80 Å²	80	49.7 Å²	49.7	43%	0.428	24%	0.244	S	C	.	.	H	α-helix	trans	-67.3	-39.1	177.5	-85.3	-39.8	0	0	0	111.2	N100 A105 D106 K158	N100-D102 VanDerWaalsContact C-N 3.35Å; N100-D102 PolarHBondContact O-N 2.91Å; N100-D102 WeakPolarHBondContact OD1-CB 3.33Å; N100-D102 PolarHBondContact OD1-N 3.42Å; D102-A105 PolarHBondContact O-N 3.3Å; D102-D106 PolarHBondContact O-N 2.99Å; D102-K158 IonicContact OD1-NZ 2.87Å; D102-K158 PolarHBondContact OD1-NZ 2.84Å; D102-K158 IonicContact OD2-NZ 3.79Å; D102-K158 PolarHBondContact OD2-NZ 2.81Å
103	H	98.2	Very high	98	Very high	73 Å²	73	47 Å²	47	34%	0.338	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-46.7	173.7	177.7	62.4	0	0	0	111	N100 A105 D106 V107 E336	N100-H103 HydrophobicContact CB-CB 3.95Å; N100-H103 PolarHBondContact O-N 3.4Å; N100-H103 PolarHBondContact OD1-N 3.05Å; N100-H103 VanDerWaalsContact OD1-N 3.09Å; H103-A105 PolarHBondContact O-N 3.04Å; H103-D106 WeakPolarHBondContact O-CB 3.37Å; H103-D106 PolarHBondContact O-N 2.95Å; H103-D106 VanDerWaalsContact O-N 3.13Å; H103-V107 WeakPolarHBondContact O-CG2 3.43Å; H103-V107 PolarHBondContact O-N 3.34Å; H103-E336 IonicContact CD2-OE1 3.77Å; H103-E336 IonicContact CE1-OE1 3.11Å; H103-E336 IonicContact CE1-OE2 2.65Å; H103-E336 IonicContact NE2-OE1 3.35Å; H103-E336 PolarHBondContact NE2-OE1 3.17Å; H103-E336 IonicContact NE2-OE2 4Å
104	F	97.8	Very high	98	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-48.3	175.2	-100.8	-74.1	0	0	0	112.4	M44 F99 N100 A101 D106 V107 V108 L152 P325 G329 I331	M44-F104 HydrophobicContact CE-CD1 3.33Å; M44-F104 HydrophobicContact CE-CE1 3.03Å; M44-F104 HydrophobicContact CE-CE2 4.49Å; M44-F104 HydrophobicContact CE-CG 4.17Å; M44-F104 HydrophobicContact CE-CZ 3.7Å; F99-F104 AromaticContact CD2-CD2 3.92Å; F99-F104 HydrophobicContact CD2-CD2 3.92Å; F99-F104 AromaticContact CD2-CE2 3.91Å; F99-F104 HydrophobicContact CD2-CE2 3.91Å; F99-F104 AromaticContact CE2-CD2 3.64Å; F99-F104 HydrophobicContact CE2-CD2 3.64Å; F99-F104 AromaticContact CE2-CE2 3.98Å; F99-F104 HydrophobicContact CE2-CE2 3.98Å; N100-F104 PolarHBondContact O-N 3.14Å; N100-F104 VanDerWaalsContact O-N 3.09Å; A101-F104 PolarHBondContact O-N 3.25Å; F104-D106 VanDerWaalsContact C-N 3.25Å; F104-D106 PolarHBondContact O-N 2.84Å; F104-V107 PolarHBondContact O-N 2.9Å; F104-V107 VanDerWaalsContact O-N 3.17Å; F104-V108 WeakPolarHBondContact O-CG2 3.19Å; F104-V108 PolarHBondContact O-N 2.93Å; F104-L152 HydrophobicContact CB-CD2 4.09Å; F104-P325 HydrophobicContact CE1-CG 4.12Å; F104-P325 HydrophobicContact CZ-CB 3.98Å; F104-P325 HydrophobicContact CZ-CG 3.76Å; F104-G329 WeakPolarHBondContact CE2-O 3.17Å; F104-I331 HydrophobicContact CD1-CB 4.38Å; F104-I331 HydrophobicContact CD1-CG2 4.32Å; F104-I331 HydrophobicContact CE1-CB 3.49Å; F104-I331 VanDerWaalsContact CE1-CB 3.49Å; F104-I331 HydrophobicContact CE1-CD1 4.01Å; F104-I331 HydrophobicContact CE1-CG1 4.29Å; F104-I331 HydrophobicContact CE1-CG2 3.85Å; F104-I331 HydrophobicContact CE2-CB 4.43Å; F104-I331 HydrophobicContact CE2-CG2 4.4Å; F104-I331 HydrophobicContact CZ-CB 3.53Å; F104-I331 HydrophobicContact CZ-CG2 3.91Å
105	A	98.6	Very high	98.1	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-35.2	178	0	0	0	0	0	112.2	A101 D102 H103 R109 A155 I156 A159	A101-A105 WeakPolarHBondContact O-CB 3.3Å; A101-A105 PolarHBondContact O-N 2.98Å; D102-A105 PolarHBondContact O-N 3.3Å; H103-A105 PolarHBondContact O-N 3.04Å; A105-R109 VanDerWaalsContact O-CB 3.24Å; A105-R109 WeakPolarHBondContact O-CB 3.49Å; A105-R109 PolarHBondContact O-N 3.47Å; A105-A155 HydrophobicContact CB-CB 3.83Å; A105-A155 WeakPolarHBondContact CB-O 3.31Å; A105-I156 HydrophobicContact CB-CD1 4.09Å; A105-A159 HydrophobicContact CB-CB 4.1Å
106	D	98.6	Very high	98.3	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	20%	0.201	S	C	.	.	H	α-helix	trans	-67.7	-39.5	174.5	-171.5	56.7	0	0	0	112.8	D102 H103 F104 R109 K110	D102-D106 PolarHBondContact O-N 2.99Å; H103-D106 WeakPolarHBondContact O-CB 3.37Å; H103-D106 PolarHBondContact O-N 2.95Å; H103-D106 VanDerWaalsContact O-N 3.13Å; F104-D106 VanDerWaalsContact C-N 3.25Å; F104-D106 PolarHBondContact O-N 2.84Å; D106-R109 PolarHBondContact O-N 3.29Å; D106-R109 IonicContact OD1-CZ 3.17Å; D106-R109 VanDerWaalsContact OD1-CZ 3.32Å; D106-R109 IonicContact OD1-NE 2.89Å; D106-R109 PolarHBondContact OD1-NE 2.91Å; D106-R109 VanDerWaalsContact OD1-NE 3.11Å; D106-R109 IonicContact OD1-NH2 2.84Å; D106-R109 PolarHBondContact OD1-NH2 2.83Å; D106-K110 WeakPolarHBondContact O-CB 3.46Å; D106-K110 VanDerWaalsContact O-CG 3.28Å; D106-K110 WeakPolarHBondContact O-CG 3.09Å; D106-K110 PolarHBondContact O-N 3.39Å; D106-K110 WeakPolarHBondContact OD2-CE 2.91Å; D106-K110 IonicContact OD2-NZ 2.66Å; D106-K110 PolarHBondContact OD2-NZ 3.27Å
107	V	98.5	Very high	98.4	Very high	8 Å²	8	42 Å²	42	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-47.9	173.6	174.7	0	0	0	0	110.9	H103 F104 R109 K110 S111 I331 E336 L339	H103-V107 WeakPolarHBondContact O-CG2 3.43Å; H103-V107 PolarHBondContact O-N 3.34Å; F104-V107 PolarHBondContact O-N 2.9Å; F104-V107 VanDerWaalsContact O-N 3.17Å; V107-R109 VanDerWaalsContact C-N 3.33Å; V107-R109 PolarHBondContact O-N 2.79Å; V107-K110 PolarHBondContact O-N 3.32Å; V107-S111 PolarHBondContact O-N 3.26Å; V107-I331 HydrophobicContact CG1-CD1 4Å; V107-I331 HydrophobicContact CG2-CG2 4.45Å; V107-E336 HydrophobicContact CG1-CB 4.49Å; V107-E336 HydrophobicContact CG1-CG 4.13Å; V107-E336 HydrophobicContact CG2-CG 3.98Å; V107-L339 HydrophobicContact CG1-CB 4.46Å; V107-L339 HydrophobicContact CG1-CD1 3.87Å
108	V	98.6	Very high	98.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-41.3	177.5	-178.9	0	0	0	0	110.7	I42 F104 K110 S111 A113 F116 I156 I161	I42-V108 HydrophobicContact CB-CG1 4.14Å; I42-V108 HydrophobicContact CB-CG2 4.39Å; I42-V108 HydrophobicContact CG1-CG1 3.83Å; I42-V108 HydrophobicContact CG1-CG2 4.39Å; I42-V108 HydrophobicContact CG2-CG2 4.31Å; F104-V108 WeakPolarHBondContact O-CG2 3.19Å; F104-V108 PolarHBondContact O-N 2.93Å; V108-K110 PolarHBondContact O-N 3.08Å; V108-S111 PolarHBondContact O-N 3.34Å; V108-S111 PolarHBondContact O-OG 3.47Å; V108-A113 HydrophobicContact CG1-CB 4.04Å; V108-F116 HydrophobicContact CG1-CB 4.5Å; V108-F116 HydrophobicContact CG1-CD2 4.38Å; V108-F116 HydrophobicContact CG2-CD2 3.96Å; V108-F116 HydrophobicContact CG2-CE2 4.24Å; V108-I156 HydrophobicContact CB-CD1 4.33Å; V108-I156 HydrophobicContact CG1-CD1 4.48Å; V108-I156 HydrophobicContact CG2-CD1 4.21Å; V108-I161 HydrophobicContact CB-CD1 4.11Å; V108-I161 HydrophobicContact CG1-CD1 3.67Å; V108-I161 HydrophobicContact CG1-CG2 4.36Å
109	R	98.6	Very high	98.5	Very high	123 Å²	123	30.6 Å²	30.6	46%	0.464	15%	0.149	S	C	.	.	H	α-helix	trans	-61.9	-43.3	175.4	-174.8	-164.8	63.7	72.7	-1.7	111.9	A105 D106 V107 S111 G112 A159 I161	A105-R109 VanDerWaalsContact O-CB 3.24Å; A105-R109 WeakPolarHBondContact O-CB 3.49Å; A105-R109 PolarHBondContact O-N 3.47Å; D106-R109 PolarHBondContact O-N 3.29Å; D106-R109 IonicContact OD1-CZ 3.17Å; D106-R109 VanDerWaalsContact OD1-CZ 3.32Å; D106-R109 IonicContact OD1-NE 2.89Å; D106-R109 PolarHBondContact OD1-NE 2.91Å; D106-R109 VanDerWaalsContact OD1-NE 3.11Å; D106-R109 IonicContact OD1-NH2 2.84Å; D106-R109 PolarHBondContact OD1-NH2 2.83Å; V107-R109 VanDerWaalsContact C-N 3.33Å; V107-R109 PolarHBondContact O-N 2.79Å; R109-S111 PolarHBondContact O-N 3.41Å; R109-G112 PolarHBondContact O-N 3.24Å; R109-A159 HydrophobicContact CB-CB 4.38Å; R109-I161 HydrophobicContact CB-CD1 4.05Å
110	K	98.1	Very high	98.5	Very high	91 Å²	91	30.1 Å²	30.1	40%	0.396	15%	0.147	S	C	.	.	H	α-helix	trans	-67.9	-23	178.6	-77.2	171.6	176.5	161.5	0	112.9	D106 V107 V108 G112 G343	D106-K110 WeakPolarHBondContact O-CB 3.46Å; D106-K110 VanDerWaalsContact O-CG 3.28Å; D106-K110 WeakPolarHBondContact O-CG 3.09Å; D106-K110 PolarHBondContact O-N 3.39Å; D106-K110 WeakPolarHBondContact OD2-CE 2.91Å; D106-K110 IonicContact OD2-NZ 2.66Å; D106-K110 PolarHBondContact OD2-NZ 3.27Å; V107-K110 PolarHBondContact O-N 3.32Å; V108-K110 PolarHBondContact O-N 3.08Å; K110-G112 PolarHBondContact O-N 2.88Å; K110-G343 WeakPolarHBondContact O-CA 3.31Å
111	S	98.1	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-72.5	-16.9	174.1	84.8	0	0	0	0	113.5	F40 V107 V108 R109 A113 L339 G343	F40-S111 WeakPolarHBondContact CE1-O 3.37Å; V107-S111 PolarHBondContact O-N 3.26Å; V108-S111 PolarHBondContact O-N 3.34Å; V108-S111 PolarHBondContact O-OG 3.47Å; R109-S111 PolarHBondContact O-N 3.41Å; S111-A113 VanDerWaalsContact C-N 3.33Å; S111-A113 WeakPolarHBondContact OG-CB 3.13Å; S111-A113 PolarHBondContact OG-N 2.91Å; S111-L339 VanDerWaalsContact CA-O 3.27Å; S111-L339 WeakPolarHBondContact CA-O 3.38Å; S111-L339 WeakPolarHBondContact CB-O 3.23Å; S111-G343 WeakPolarHBondContact O-CA 3.15Å; S111-G343 PolarHBondContact O-N 3.23Å
112	G	98.1	Very high	98.5	Very high	23 Å²	23	26 Å²	26	24%	0.237	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	2.2	-174	0	0	0	0	0	114.1	R109 K110 F354	R109-G112 PolarHBondContact O-N 3.24Å; K110-G112 PolarHBondContact O-N 2.88Å; G112-F354 VanDerWaalsContact O-CZ 3.24Å; G112-F354 WeakPolarHBondContact O-CZ 3.46Å
113	A	98.7	Very high	98.5	Very high	6 Å²	6	22.3 Å²	22.3	5%	0.05	10%	0.104	C	C	.	.			trans	-62.1	143.2	176.8	0	0	0	0	0	112.4	F40 I42 V108 S111	F40-A113 VanDerWaalsContact CD1-CA 3.49Å; F40-A113 HydrophobicContact CD1-CB 3.82Å; F40-A113 HydrophobicContact CE1-CB 3.91Å; F40-A113 HydrophobicContact CG-CB 4.44Å; I42-A113 HydrophobicContact CD1-CB 4.16Å; I42-A113 HydrophobicContact CG1-CB 3.63Å; V108-A113 HydrophobicContact CG1-CB 4.04Å; S111-A113 VanDerWaalsContact C-N 3.33Å; S111-A113 WeakPolarHBondContact OG-CB 3.13Å; S111-A113 PolarHBondContact OG-N 2.91Å
114	R	98.7	Very high	98.5	Very high	79 Å²	79	19 Å²	19	30%	0.298	9%	0.089	S	C	.	.	S	Bend	trans	-105.2	-10.9	-178.3	-69.6	-177.6	175.2	-157.3	-1.7	113.2	Q37 A38 F40 R162 F354 E355	Q37-R114 PolarHBondContact O-NH1 2.77Å; A38-R114 HydrophobicContact CB-CB 3.83Å; A38-R114 WeakPolarHBondContact O-CD 3.48Å; F40-R114 PolarHBondContact O-N 2.86Å; R114-R162 PolarHBondContact O-N 2.88Å; R114-F354 HydrophobicContact CG-CD1 4.34Å; R114-F354 HydrophobicContact CG-CE1 3.98Å; R114-E355 IonicContact CZ-OE1 3.19Å; R114-E355 IonicContact NH1-OE1 3.34Å; R114-E355 PolarHBondContact NH1-OE1 2.84Å; R114-E355 IonicContact NH2-OE1 2.84Å; R114-E355 PolarHBondContact NH2-OE1 3.49Å
115	Y	98.9	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162.4	171.6	64.1	-80.6	0	0	0	111.8	W34 F35 A38 F40 G41 I42 V117 R162 I210 E278 N318 L320	W34-Y115 HydrophobicContact CZ3-CD1 4.41Å; W34-Y115 HydrophobicContact CZ3-CG 4.34Å; F35-Y115 HydrophobicContact CE2-CE2 4.4Å; A38-Y115 HydrophobicContact CB-CD1 3.77Å; A38-Y115 HydrophobicContact CB-CE1 4.05Å; F40-Y115 VanDerWaalsContact O-CD1 3.31Å; F40-Y115 WeakPolarHBondContact O-CD1 3.48Å; F40-Y115 WeakPolarHBondContact O-CE1 3.29Å; G41-Y115 CarbonylContact C-O 3.56Å; G41-Y115 WeakPolarHBondContact CA-O 3.48Å; G41-Y115 VanDerWaalsContact N-CE1 3.29Å; I42-Y115 PolarHBondContact N-O 2.92Å; Y115-V117 HydrophobicContact CD2-CG2 4.26Å; Y115-R162 CarbonylContact C-O 3.41Å; Y115-R162 WeakPolarHBondContact CA-O 3.27Å; Y115-I210 HydrophobicContact CD2-CD1 3.16Å; Y115-I210 HydrophobicContact CE2-CD1 3.71Å; Y115-I210 HydrophobicContact CG-CD1 3.87Å; Y115-E278 VanDerWaalsContact CE2-OE1 3.3Å; Y115-E278 WeakPolarHBondContact CE2-OE1 3.43Å; Y115-E278 VanDerWaalsContact CZ-OE1 3.3Å; Y115-E278 PolarHBondContact OH-OE1 3.26Å; Y115-N318 WeakPolarHBondContact OH-CB 3.41Å; Y115-L320 HydrophobicContact CE2-CD1 3.87Å
116	F	98.9	Very high	98.5	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.5	-178.1	174.5	-98.8	0	0	0	109.9	I42 M44 V108 L118 I156 I161 R162 F163 G164	I42-F116 HydrophobicContact CB-CD2 3.99Å; I42-F116 HydrophobicContact CG2-CD2 4Å; I42-F116 HydrophobicContact CG2-CE2 4.12Å; I42-F116 CarbonylContact O-C 3.5Å; I42-F116 VanDerWaalsContact O-CA 3.26Å; I42-F116 WeakPolarHBondContact O-CA 3.16Å; M44-F116 HydrophobicContact CB-CE2 3.87Å; M44-F116 HydrophobicContact CB-CZ 3.71Å; M44-F116 HydrophobicContact CE-CE2 4.07Å; M44-F116 HydrophobicContact CE-CZ 3.85Å; M44-F116 HydrophobicContact CG-CZ 4.47Å; M44-F116 HydrophobicContact SD-CZ 3.98Å; V108-F116 HydrophobicContact CG1-CB 4.5Å; V108-F116 HydrophobicContact CG1-CD2 4.38Å; V108-F116 HydrophobicContact CG2-CD2 3.96Å; V108-F116 HydrophobicContact CG2-CE2 4.24Å; F116-L118 HydrophobicContact CE1-CB 3.79Å; F116-L118 HydrophobicContact CZ-CB 4.31Å; F116-I156 HydrophobicContact CB-CD1 4.08Å; F116-I156 HydrophobicContact CB-CG1 4.42Å; F116-I156 HydrophobicContact CB-CG2 3.94Å; F116-I156 HydrophobicContact CD1-CD1 4Å; F116-I156 HydrophobicContact CD1-CG1 3.83Å; F116-I156 HydrophobicContact CD2-CD1 4.18Å; F116-I156 HydrophobicContact CE1-CD1 4.46Å; F116-I156 HydrophobicContact CE1-CG1 4.27Å; F116-I156 HydrophobicContact CG-CD1 3.82Å; F116-I156 HydrophobicContact CG-CG1 4.14Å; F116-I161 HydrophobicContact CB-CG2 4.15Å; F116-R162 PolarHBondContact N-O 2.82Å; F116-F163 AromaticContact CD1-CD2 3.98Å; F116-F163 HydrophobicContact CD1-CD2 3.98Å; F116-F163 HydrophobicContact CD1-CE2 4.03Å; F116-F163 HydrophobicContact CE1-CE2 4.19Å; F116-G164 WeakPolarHBondContact O-CA 3.47Å; F116-G164 PolarHBondContact O-N 2.01Å
117	V	98.9	Very high	98.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.7	177.5	-174.9	0	0	0	0	109.1	I42 F43 M44 Y115 G164 I210 W212 L320	I42-V117 PolarHBondContact O-N 3.09Å; F43-V117 CarbonylContact C-O 3.56Å; F43-V117 WeakPolarHBondContact CA-O 3.4Å; F43-V117 HydrophobicContact CD2-CB 3.87Å; F43-V117 HydrophobicContact CD2-CG1 3.9Å; F43-V117 WeakPolarHBondContact CD2-O 3.35Å; F43-V117 HydrophobicContact CE2-CB 4.24Å; F43-V117 HydrophobicContact CE2-CG1 3.73Å; F43-V117 HydrophobicContact CG-CB 4.45Å; F43-V117 HydrophobicContact CZ-CG1 4.45Å; M44-V117 PolarHBondContact N-O 3.21Å; Y115-V117 HydrophobicContact CD2-CG2 4.26Å; V117-G164 WeakPolarHBondContact CA-O 3.46Å; V117-I210 HydrophobicContact CG2-CB 4.39Å; V117-I210 HydrophobicContact CG2-CD1 3.8Å; V117-I210 HydrophobicContact CG2-CG2 4.25Å; V117-W212 HydrophobicContact CG1-CB 4.17Å; V117-L320 HydrophobicContact CG2-CD1 4.23Å; V117-L320 HydrophobicContact CG2-CD2 4.3Å
118	L	98.9	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.3	174.2	174	66.7	0	0	0	110.4	M44 F116 S120 L128 V149 L152 G164 L165 Y166	M44-L118 HydrophobicContact CB-CD1 4.13Å; M44-L118 HydrophobicContact CG-CD1 3.91Å; M44-L118 HydrophobicContact SD-CD1 3.58Å; M44-L118 VanDerWaalsContact SD-CD1 3.58Å; F116-L118 HydrophobicContact CE1-CB 3.79Å; F116-L118 HydrophobicContact CZ-CB 4.31Å; L118-S120 PolarHBondContact O-N 3.27Å; L118-L128 HydrophobicContact CD1-CD1 3.96Å; L118-L128 HydrophobicContact CD2-CD1 4.32Å; L118-L128 HydrophobicContact CG-CD1 4.29Å; L118-V149 HydrophobicContact CD2-CB 4.48Å; L118-V149 HydrophobicContact CD2-CG2 3.94Å; L118-L152 HydrophobicContact CD1-CD1 3.98Å; L118-L152 HydrophobicContact CD2-CD1 3.65Å; L118-L152 HydrophobicContact CG-CD1 4.37Å; L118-G164 PolarHBondContact N-O 3.45Å; L118-G164 VanDerWaalsContact N-O 3.14Å; L118-L165 HydrophobicContact CB-CD2 3.97Å; L118-L165 HydrophobicContact CD2-CD2 4.39Å; L118-L165 WeakPolarHBondContact O-CA 3.45Å; L118-Y166 PolarHBondContact O-N 3.22Å
119	T	98.6	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	95.2	162	46.2	0	0	0	0	110.2	F43 M44 H45 W46 K121 L128 Y166	F43-T119 HydrophobicContact CE2-CG2 3.94Å; M44-T119 WeakPolarHBondContact O-CB 3.22Å; M44-T119 WeakPolarHBondContact O-CG2 3.45Å; M44-T119 PolarHBondContact O-N 3.21Å; M44-T119 PolarHBondContact O-OG1 2.99Å; H45-T119 VanDerWaalsContact CA-OG1 3.32Å; H45-T119 WeakPolarHBondContact CA-OG1 3.26Å; H45-T119 HydrophobicContact CB-CG2 4.3Å; W46-T119 PolarHBondContact N-OG1 2.68Å; W46-T119 PolarHBondContact O-OG1 2.95Å; T119-K121 VanDerWaalsContact C-N 3.34Å; T119-L128 VanDerWaalsContact O-CD1 3.28Å; T119-L128 WeakPolarHBondContact O-CD1 3.06Å; T119-Y166 HydrophobicContact CG2-CD1 3.63Å; T119-Y166 HydrophobicContact CG2-CD2 4.41Å; T119-Y166 HydrophobicContact CG2-CE1 4.12Å; T119-Y166 HydrophobicContact CG2-CG 3.81Å
120	S	98.7	Very high	98.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-36.5	178.9	69.1	0	0	0	0	110.9	L118 L128 W129 Y166 L202	L118-S120 PolarHBondContact O-N 3.27Å; S120-L128 PolarHBondContact O-N 3.03Å; S120-W129 VanDerWaalsContact CB-CZ3 3.44Å; S120-W129 VanDerWaalsContact O-CZ3 3.25Å; S120-W129 WeakPolarHBondContact O-CZ3 3.28Å; S120-W129 WeakPolarHBondContact OG-CZ3 3.42Å; S120-Y166 PolarHBondContact N-O 2.7Å; S120-Y166 PolarHBondContact OG-O 3.06Å; S120-L202 VanDerWaalsContact OG-CD1 3.31Å; S120-L202 WeakPolarHBondContact OG-CD1 3.37Å
121	K	98.6	Very high	98.5	Very high	1 Å²	1	8 Å²	8	0%	0.004	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	123.2	175.4	-170.8	-163.7	79.3	165.8	0	108.2	T119 T127 W129 Y166 Y167 S168 E171 Y190	T119-K121 VanDerWaalsContact C-N 3.34Å; K121-T127 HydrophobicContact CB-CG2 4.14Å; K121-T127 HydrophobicContact CD-CG2 3.98Å; K121-T127 HydrophobicContact CG-CG2 3.9Å; K121-W129 HydrophobicContact CB-CH2 4.13Å; K121-W129 HydrophobicContact CB-CZ3 3.92Å; K121-Y166 WeakPolarHBondContact O-CE1 3.45Å; K121-Y167 HydrophobicContact CB-CD2 4.45Å; K121-Y167 HydrophobicContact CB-CE2 4.46Å; K121-Y167 HydrophobicContact CD-CE2 4.18Å; K121-Y167 PolarHBondContact NZ-OH 2.86Å; K121-S168 WeakPolarHBondContact CE-O 3.38Å; K121-S168 PolarHBondContact NZ-O 2.93Å; K121-S168 WeakPolarHBondContact O-CB 3.19Å; K121-S168 PolarHBondContact O-N 3.45Å; K121-E171 IonicContact NZ-OE1 3.36Å; K121-E171 PolarHBondContact NZ-OE1 3.18Å; K121-Y190 PolarHBondContact NZ-OH 3.34Å
122	H	98.5	Very high	98.4	Very high	5 Å²	5	11.6 Å²	11.6	2%	0.023	8%	0.075	C	C	.	.			trans	-96.9	-177.9	170.7	-176.4	-95.4	0	0	0	110.3	Y49 E59 E124 G125	Y49-H122 HydrophobicContact CE1-CB 3.81Å; Y49-H122 AromaticContact CE1-CG 3.89Å; Y49-H122 AromaticContact CE1-ND1 3.87Å; E59-H122 PolarHBondContact O-CE1 3.05Å; E59-H122 VanDerWaalsContact O-CE1 3.29Å; H122-E124 VanDerWaalsContact C-OE2 3.32Å; H122-E124 WeakPolarHBondContact CB-OE2 3.32Å; H122-E124 IonicContact CG-OE2 3.79Å; H122-E124 IonicContact ND1-OE2 3.54Å; H122-E124 PolarHBondContact ND1-OE2 3.27Å; H122-E124 PolarHBondContact O-N 2.95Å; H122-G125 PolarHBondContact O-N 3.43Å
123	H	98.3	Very high	98.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-13.7	-170.3	-53.3	-49	0	0	0	115.1	W60 G125 Y166 S168 L170 E171 W172 D214 W217	W60-H123 AromaticContact CZ2-CD2 3.96Å; H123-G125 VanDerWaalsContact C-N 3.33Å; H123-Y166 PolarHBondContact CE1-OH 3.16Å; H123-S168 WeakPolarHBondContact CA-OG 3.47Å; H123-S168 WeakPolarHBondContact ND1-CB 3.29Å; H123-S168 PolarHBondContact ND1-OG 3.36Å; H123-L170 HydrophobicContact CB-CD1 3.79Å; H123-E171 VanDerWaalsContact O-CA 3.29Å; H123-E171 WeakPolarHBondContact O-CA 3.32Å; H123-W172 HydrophobicContact CB-CD2 3.78Å; H123-W172 HydrophobicContact CB-CE3 4.16Å; H123-W172 HydrophobicContact CB-CG 4.44Å; H123-W172 HydrophobicContact CB-CH2 3.71Å; H123-W172 HydrophobicContact CB-CZ2 3.33Å; H123-W172 HydrophobicContact CB-CZ3 4.11Å; H123-W172 AromaticContact CD2-CZ2 3.73Å; H123-W172 AromaticContact CG-CZ2 3.86Å; H123-W172 PolarHBondContact O-N 2.86Å; H123-W172 VanDerWaalsContact O-N 3.12Å; H123-D214 IonicContact CE1-OD2 2.81Å; H123-D214 IonicContact NE2-OD2 3.74Å; H123-W217 AromaticContact CE1-CH2 3.43Å; H123-W217 VanDerWaalsContact CE1-CH2 3.43Å; H123-W217 WeakPolarHBondContact CE1-CH2 3.46Å; H123-W217 AromaticContact CE1-CZ3 3.35Å; H123-W217 WeakPolarHBondContact CE1-CZ3 3.31Å; H123-W217 AromaticContact NE2-CH2 3.23Å; H123-W217 WeakPolarHBondContact NE2-CH2 3.37Å; H123-W217 AromaticContact NE2-CZ3 3.37Å; H123-W217 WeakPolarHBondContact NE2-CZ3 2.99Å
124	E	97.8	Very high	98.2	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.019	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-16.1	172.8	75.9	-78.9	-170.8	0	0	114	L48 Y49 W62 Y87 H122 Y126 W172	L48-E124 HydrophobicContact CB-CG 4.48Å; Y49-E124 VanDerWaalsContact CD1-OE1 3.31Å; Y49-E124 WeakPolarHBondContact CD1-OE1 3.22Å; Y49-E124 WeakPolarHBondContact CE1-OE1 3.37Å; W62-E124 HydrophobicContact CE3-CB 3.64Å; W62-E124 HydrophobicContact CZ3-CB 4.11Å; W62-E124 WeakPolarHBondContact CZ3-O 3.47Å; Y87-E124 HydrophobicContact CE1-CB 3.8Å; Y87-E124 HydrophobicContact CE1-CG 4Å; H122-E124 VanDerWaalsContact C-OE2 3.32Å; H122-E124 WeakPolarHBondContact CB-OE2 3.32Å; H122-E124 IonicContact CG-OE2 3.79Å; H122-E124 IonicContact ND1-OE2 3.54Å; H122-E124 PolarHBondContact ND1-OE2 3.27Å; H122-E124 PolarHBondContact O-N 2.95Å; E124-Y126 PolarHBondContact O-N 3.2Å; E124-W172 HydrophobicContact CB-CZ3 4.23Å
125	G	98	Very high	97.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.092	C	C	.	.			trans	85.2	-1.1	175.5	0	0	0	0	0	116.5	H122 H123 T127 S134	H122-G125 PolarHBondContact O-N 3.43Å; H123-G125 VanDerWaalsContact C-N 3.33Å; G125-T127 PolarHBondContact O-N 3.44Å; G125-S134 PolarHBondContact O-OG 2.88Å
126	Y	98.4	Very high	97.6	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.123	C	C	.	.			trans	-72.5	117.4	173.4	-176.3	-96.7	0	0	0	110	L48 A91 M94 E124 L128 F137 S139 T142 P144	L48-Y126 HydrophobicContact CB-CD1 4.19Å; L48-Y126 HydrophobicContact CB-CG 4.01Å; L48-Y126 HydrophobicContact CD2-CD2 4.27Å; L48-Y126 HydrophobicContact CD2-CG 4.45Å; A91-Y126 HydrophobicContact CB-CE2 4.11Å; M94-Y126 HydrophobicContact SD-CD1 4.4Å; M94-Y126 HydrophobicContact SD-CE1 3.69Å; E124-Y126 PolarHBondContact O-N 3.2Å; Y126-L128 HydrophobicContact CD1-CD2 4.03Å; Y126-L128 HydrophobicContact CE1-CD2 3.9Å; Y126-F137 HydrophobicContact CD2-CD1 4.26Å; Y126-F137 HydrophobicContact CD2-CD2 4.18Å; Y126-F137 HydrophobicContact CD2-CE1 4.31Å; Y126-F137 HydrophobicContact CD2-CE2 4.19Å; Y126-F137 HydrophobicContact CD2-CG 4.21Å; Y126-F137 HydrophobicContact CD2-CZ 4.27Å; Y126-S139 WeakPolarHBondContact OH-CA 3.32Å; Y126-S139 PolarHBondContact OH-N 3.22Å; Y126-T142 HydrophobicContact CE2-CG2 3.93Å; Y126-T142 PolarHBondContact OH-O 3.34Å; Y126-P144 WeakPolarHBondContact OH-CD 3.43Å
127	T	98.7	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-91.8	136.8	-177.7	64.6	0	0	0	0	111.6	K121 G125 W129 S131 S134 F137 N138 S139	K121-T127 HydrophobicContact CB-CG2 4.14Å; K121-T127 HydrophobicContact CD-CG2 3.98Å; K121-T127 HydrophobicContact CG-CG2 3.9Å; G125-T127 PolarHBondContact O-N 3.44Å; T127-W129 VanDerWaalsContact CB-CZ3 3.49Å; T127-W129 HydrophobicContact CG2-CE3 4.2Å; T127-W129 HydrophobicContact CG2-CH2 3.49Å; T127-W129 VanDerWaalsContact CG2-CH2 3.49Å; T127-W129 HydrophobicContact CG2-CZ2 3.95Å; T127-W129 HydrophobicContact CG2-CZ3 3.65Å; T127-W129 PolarHBondContact O-N 2.87Å; T127-W129 PolarHBondContact OG1-O 2.89Å; T127-S131 WeakPolarHBondContact OG1-CB 3.22Å; T127-S134 WeakPolarHBondContact CG2-OG 3.24Å; T127-F137 PolarHBondContact N-O 3.03Å; T127-N138 CarbonylContact O-C 3.58Å; T127-N138 WeakPolarHBondContact O-CA 3.32Å; T127-N138 WeakPolarHBondContact O-CB 3.42Å; T127-N138 WeakPolarHBondContact OG1-CB 3.48Å; T127-S139 PolarHBondContact O-N 3.5Å
128	L	98.7	Very high	97.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.132	C	C	.	.	S	Bend	trans	-82.3	15	176.2	-62.2	-164.5	0	0	0	114	W46 M94 L118 T119 S120 Y126 S139 L148 V149	W46-L128 HydrophobicContact CE3-CD1 4.14Å; W46-L128 WeakPolarHBondContact O-CD1 3.2Å; M94-L128 HydrophobicContact CE-CD2 3.91Å; L118-L128 HydrophobicContact CD1-CD1 3.96Å; L118-L128 HydrophobicContact CD2-CD1 4.32Å; L118-L128 HydrophobicContact CG-CD1 4.29Å; T119-L128 VanDerWaalsContact O-CD1 3.28Å; T119-L128 WeakPolarHBondContact O-CD1 3.06Å; S120-L128 PolarHBondContact O-N 3.03Å; Y126-L128 HydrophobicContact CD1-CD2 4.03Å; Y126-L128 HydrophobicContact CE1-CD2 3.9Å; L128-S139 WeakPolarHBondContact CA-OG 3.35Å; L128-S139 PolarHBondContact O-OG 3.48Å; L128-S139 VanDerWaalsContact O-OG 3.07Å; L128-L148 HydrophobicContact CB-CB 4.29Å; L128-L148 HydrophobicContact CD2-CD1 4.15Å; L128-L148 PolarHBondContact O-N 2.69Å; L128-L148 VanDerWaalsContact O-N 3.08Å; L128-V149 HydrophobicContact CB-CG2 3.92Å; L128-V149 PolarHBondContact O-N 2.75Å; L128-V149 VanDerWaalsContact O-N 3.11Å
129	W	98.6	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-143.9	158.8	178.2	81.4	96.4	0	0	0	109.6	S120 K121 T127 S131 N138 S139 V149 Y167 Q198 D201 L202 Y206	S120-W129 VanDerWaalsContact CB-CZ3 3.44Å; S120-W129 VanDerWaalsContact O-CZ3 3.25Å; S120-W129 WeakPolarHBondContact O-CZ3 3.28Å; S120-W129 WeakPolarHBondContact OG-CZ3 3.42Å; K121-W129 HydrophobicContact CB-CH2 4.13Å; K121-W129 HydrophobicContact CB-CZ3 3.92Å; T127-W129 VanDerWaalsContact CB-CZ3 3.49Å; T127-W129 HydrophobicContact CG2-CE3 4.2Å; T127-W129 HydrophobicContact CG2-CH2 3.49Å; T127-W129 VanDerWaalsContact CG2-CH2 3.49Å; T127-W129 HydrophobicContact CG2-CZ2 3.95Å; T127-W129 HydrophobicContact CG2-CZ3 3.65Å; T127-W129 PolarHBondContact O-N 2.87Å; T127-W129 PolarHBondContact OG1-O 2.89Å; W129-S131 PolarHBondContact O-N 3.06Å; W129-S131 VanDerWaalsContact O-N 3.14Å; W129-N138 WeakPolarHBondContact O-CB 3.35Å; W129-S139 PolarHBondContact N-OG 3.31Å; W129-V149 HydrophobicContact CB-CB 3.96Å; W129-V149 HydrophobicContact CB-CG2 3.88Å; W129-V149 HydrophobicContact CE3-CG2 4.15Å; W129-Y167 HydrophobicContact CH2-CD2 4.45Å; W129-Y167 HydrophobicContact CH2-CE2 4.2Å; W129-Q198 HydrophobicContact CH2-CB 4.48Å; W129-Q198 HydrophobicContact CZ2-CB 4.04Å; W129-Q198 HydrophobicContact CZ2-CG 4.11Å; W129-D201 PolarHBondContact NE1-OD2 2.94Å; W129-L202 HydrophobicContact CD2-CD2 3.46Å; W129-L202 VanDerWaalsContact CD2-CD2 3.46Å; W129-L202 HydrophobicContact CD2-CG 4.29Å; W129-L202 HydrophobicContact CE3-CD2 3.63Å; W129-L202 HydrophobicContact CE3-CG 4.45Å; W129-L202 HydrophobicContact CG-CD2 4.03Å; W129-L202 HydrophobicContact CH2-CD1 3.62Å; W129-L202 HydrophobicContact CH2-CD2 3.97Å; W129-L202 HydrophobicContact CH2-CG 3.88Å; W129-L202 HydrophobicContact CZ2-CD1 3.91Å; W129-L202 HydrophobicContact CZ2-CD2 3.79Å; W129-L202 HydrophobicContact CZ2-CG 3.65Å; W129-L202 HydrophobicContact CZ3-CD1 3.96Å; W129-L202 HydrophobicContact CZ3-CD2 3.87Å; W129-L202 HydrophobicContact CZ3-CG 4.24Å; W129-Y206 HydrophobicContact CB-CE2 4.01Å; W129-Y206 WeakPolarHBondContact CB-OH 3.35Å; W129-Y206 AromaticContact CD1-CE2 3.88Å; W129-Y206 AromaticContact CG-CE2 3.98Å; W129-Y206 HydrophobicContact CG-CE2 3.98Å
130	P	98	Very high	97.4	Very high	43 Å²	43	27.9 Å²	27.9	28%	0.279	15%	0.15	S	C	.	.			trans	-63.9	113.7	174	25.5	-33.5	0	0	0	110.9	M140	P130-M140 HydrophobicContact CB-CB 3.82Å; P130-M140 HydrophobicContact CB-CG 4.09Å; P130-M140 HydrophobicContact CG-CB 4.46Å
131	S	97.7	Very high	97.4	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.028	17%	0.167	C	C	.	.			trans	-123.2	124.9	-175.5	173.8	0	0	0	0	110	T127 W129 E133 S134 M135 Q198	T127-S131 WeakPolarHBondContact OG1-CB 3.22Å; W129-S131 PolarHBondContact O-N 3.06Å; W129-S131 VanDerWaalsContact O-N 3.14Å; S131-E133 PolarHBondContact O-N 3.37Å; S131-E133 PolarHBondContact OG-N 3.15Å; S131-S134 CarbonylContact O-C 3.5Å; S131-S134 PolarHBondContact O-N 3.38Å; S131-S134 PolarHBondContact OG-N 3.22Å; S131-M135 PolarHBondContact O-N 3.44Å; S131-Q198 PolarHBondContact OG-NE2 3.2Å
132	A	96.4	Very high	97.3	Very high	74 Å²	74	32.4 Å²	32.4	61%	0.612	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-69.8	-23.8	177.3	0	0	0	0	0	111.8	M135	A132-M135 WeakPolarHBondContact O-CG 3.15Å
133	E	97.6	Very high	97.2	Very high	59 Å²	59	32.5 Å²	32.5	28%	0.276	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-85.5	-14.3	179	-64.9	69.1	-141.8	0	0	112.4	S131 N193 I194 P197 Q198	S131-E133 PolarHBondContact O-N 3.37Å; S131-E133 PolarHBondContact OG-N 3.15Å; E133-N193 WeakPolarHBondContact CG-O 3.49Å; E133-I194 HydrophobicContact CB-CD1 3.89Å; E133-I194 HydrophobicContact CB-CG2 4.39Å; E133-I194 HydrophobicContact CG-CD1 4.43Å; E133-P197 HydrophobicContact CG-CB 3.92Å; E133-P197 HydrophobicContact CG-CG 4.44Å; E133-Q198 HydrophobicContact CB-CG 3.89Å; E133-Q198 HydrophobicContact CG-CG 4.24Å
134	S	95.4	Very high	97.1	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.07	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-122.1	45	175.8	-60.3	0	0	0	0	111.5	G125 T127 S131 H136 F137 N138 Q198	G125-S134 PolarHBondContact O-OG 2.88Å; T127-S134 WeakPolarHBondContact CG2-OG 3.24Å; S131-S134 CarbonylContact O-C 3.5Å; S131-S134 PolarHBondContact O-N 3.38Å; S131-S134 PolarHBondContact OG-N 3.22Å; S134-H136 PolarHBondContact O-N 2.86Å; S134-F137 CarbonylContact O-C 3.46Å; S134-F137 PolarHBondContact O-N 2.91Å; S134-N138 PolarHBondContact O-ND2 2.77Å; S134-Q198 PolarHBondContact OG-NE2 3.35Å
135	M	91.4	Very high	97.1	Very high	123 Å²	123	38.4 Å²	38.4	61%	0.606	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	136	178	-72.9	-177.4	66.8	0	0	111.7	S131 A132 F137	S131-M135 PolarHBondContact O-N 3.44Å; A132-M135 WeakPolarHBondContact O-CG 3.15Å; M135-F137 PolarHBondContact O-N 2.64Å
136	H	94.3	Very high	97.1	Very high	142 Å²	142	41.6 Å²	41.6	66%	0.657	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	1.6	-177.7	-48.1	-59.1	0	0	0	115.4	S134 D141 T142	S134-H136 PolarHBondContact O-N 2.86Å; H136-D141 PolarHBondContact N-OD2 3.09Å; H136-T142 VanDerWaalsContact O-CG2 3.3Å; H136-T142 WeakPolarHBondContact O-CG2 3.25Å
137	F	97.1	Very high	97.1	Very high	42 Å²	42	43.6 Å²	43.6	18%	0.184	23%	0.229	C	C	.	.	S	Bend	trans	-131.7	50.6	-179.6	-157.8	-114	0	0	0	111.1	L48 A88 A91 Y126 T127 S134 M135	L48-F137 HydrophobicContact CD2-CE2 3.78Å; L48-F137 HydrophobicContact CD2-CZ 3.66Å; A88-F137 HydrophobicContact CB-CD2 4.44Å; A88-F137 HydrophobicContact CB-CE2 3.97Å; A91-F137 HydrophobicContact CB-CE2 4.42Å; Y126-F137 HydrophobicContact CD2-CD1 4.26Å; Y126-F137 HydrophobicContact CD2-CD2 4.18Å; Y126-F137 HydrophobicContact CD2-CE1 4.31Å; Y126-F137 HydrophobicContact CD2-CE2 4.19Å; Y126-F137 HydrophobicContact CD2-CG 4.21Å; Y126-F137 HydrophobicContact CD2-CZ 4.27Å; T127-F137 PolarHBondContact N-O 3.03Å; S134-F137 CarbonylContact O-C 3.46Å; S134-F137 PolarHBondContact O-N 2.91Å; M135-F137 PolarHBondContact O-N 2.64Å
138	N	98.2	Very high	97.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-147.6	164.8	177.5	66.5	72.8	0	0	0	111.3	T127 W129 S134 M140 D141 T142	T127-N138 CarbonylContact O-C 3.58Å; T127-N138 WeakPolarHBondContact O-CA 3.32Å; T127-N138 WeakPolarHBondContact O-CB 3.42Å; T127-N138 WeakPolarHBondContact OG1-CB 3.48Å; W129-N138 WeakPolarHBondContact O-CB 3.35Å; S134-N138 PolarHBondContact O-ND2 2.77Å; N138-M140 PolarHBondContact O-N 3.45Å; N138-M140 WeakPolarHBondContact OD1-CA 3.34Å; N138-M140 WeakPolarHBondContact OD1-CB 3.43Å; N138-M140 PolarHBondContact OD1-N 2.96Å; N138-D141 VanDerWaalsContact ND2-CG 3.27Å; N138-D141 PolarHBondContact ND2-OD2 3.04Å; N138-D141 PolarHBondContact O-N 3.01Å; N138-D141 PolarHBondContact OD1-N 3.39Å; N138-T142 WeakPolarHBondContact O-CG2 3.46Å; N138-T142 PolarHBondContact O-N 3.5Å; N138-T142 VanDerWaalsContact O-O 3.08Å
139	S	98.1	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.9	-175.1	67.7	0	0	0	0	115.6	Y126 T127 L128 W129 H145 R146	Y126-S139 WeakPolarHBondContact OH-CA 3.32Å; Y126-S139 PolarHBondContact OH-N 3.22Å; T127-S139 PolarHBondContact O-N 3.5Å; L128-S139 WeakPolarHBondContact CA-OG 3.35Å; L128-S139 PolarHBondContact O-OG 3.48Å; L128-S139 VanDerWaalsContact O-OG 3.07Å; W129-S139 PolarHBondContact N-OG 3.31Å; S139-H145 CarbonylContact O-C 3.36Å; S139-H145 WeakPolarHBondContact O-CA 3.17Å; S139-H145 PolarHBondContact O-N 3.08Å; S139-R146 CarbonylContact C-O 3.57Å; S139-R146 WeakPolarHBondContact CB-O 3.35Å; S139-R146 PolarHBondContact O-N 2.79Å; S139-R146 PolarHBondContact OG-O 2.79Å
140	M	97.8	Very high	97.1	Very high	75 Å²	75	44.2 Å²	44.2	37%	0.369	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-42	175.2	-169.4	67.3	-133.1	0	0	111.3	P130 N138 H145	P130-M140 HydrophobicContact CB-CB 3.82Å; P130-M140 HydrophobicContact CB-CG 4.09Å; P130-M140 HydrophobicContact CG-CB 4.46Å; N138-M140 PolarHBondContact O-N 3.45Å; N138-M140 WeakPolarHBondContact OD1-CA 3.34Å; N138-M140 WeakPolarHBondContact OD1-CB 3.43Å; N138-M140 PolarHBondContact OD1-N 2.96Å; M140-H145 WeakPolarHBondContact CE-O 3.38Å; M140-H145 WeakPolarHBondContact O-CA 3.43Å; M140-H145 PolarHBondContact O-ND1 3.34Å
141	D	97.5	Very high	97.2	Very high	69 Å²	69	45.1 Å²	45.1	37%	0.369	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-33.8	-175.7	-67.7	-12.9	0	0	0	112.8	H136 N138 H145	H136-D141 PolarHBondContact N-OD2 3.09Å; N138-D141 VanDerWaalsContact ND2-CG 3.27Å; N138-D141 PolarHBondContact ND2-OD2 3.04Å; N138-D141 PolarHBondContact O-N 3.01Å; N138-D141 PolarHBondContact OD1-N 3.39Å; D141-H145 PolarHBondContact O-CE1 3.35Å; D141-H145 VanDerWaalsContact O-CE1 3.28Å
142	T	96.5	Very high	97.2	Very high	27 Å²	27	44.9 Å²	44.9	17%	0.166	24%	0.235	C	C	.	.	S	Bend	trans	-146.2	142.6	-175.9	-173.1	0	0	0	0	112.5	A91 Y126 H136 N138 P144	A91-T142 HydrophobicContact CB-CG2 3.62Å; Y126-T142 HydrophobicContact CE2-CG2 3.93Å; Y126-T142 PolarHBondContact OH-O 3.34Å; H136-T142 VanDerWaalsContact O-CG2 3.3Å; H136-T142 WeakPolarHBondContact O-CG2 3.25Å; N138-T142 WeakPolarHBondContact O-CG2 3.46Å; N138-T142 PolarHBondContact O-N 3.5Å; N138-T142 VanDerWaalsContact O-O 3.08Å; T142-P144 WeakPolarHBondContact O-CD 3.45Å
143	G	96.8	Very high	97.3	Very high	7 Å²	7	41.5 Å²	41.5	7%	0.072	21%	0.207	C	C	.	.	S	Bend	trans	88.4	-102.2	-178.3	0	0	0	0	0	112.2	A91 M94 H145	A91-G143 WeakPolarHBondContact O-CA 3.47Å; M94-G143 CarbonylContact O-C 3.24Å; M94-G143 VanDerWaalsContact O-C 3.24Å; M94-G143 VanDerWaalsContact O-CA 3.31Å; M94-G143 WeakPolarHBondContact O-CA 3.35Å; G143-H145 PolarHBondContact O-CD2 3.13Å
144	P	97	Very high	97.4	Very high	15 Å²	15	43.6 Å²	43.6	10%	0.097	22%	0.223	C	C	.	.	S	Bend	trans	-72.4	-27.4	-173.8	-21.3	35.4	0	0	0	115	M94 C96 Y126 T142 R146 L148	M94-P144 HydrophobicContact CG-CG 4.33Å; M94-P144 WeakPolarHBondContact O-CD 3.41Å; M94-P144 VanDerWaalsContact O-CG 3.28Å; M94-P144 WeakPolarHBondContact O-CG 3.31Å; C96-P144 HydrophobicContact CB-CB 3.97Å; C96-P144 HydrophobicContact CB-CG 4.11Å; C96-P144 WeakPolarHBondContact SG-CG 3.39Å; Y126-P144 WeakPolarHBondContact OH-CD 3.43Å; T142-P144 WeakPolarHBondContact O-CD 3.45Å; P144-R146 VanDerWaalsContact C-N 3.32Å; P144-R146 HydrophobicContact CB-CB 4.11Å; P144-R146 HydrophobicContact CB-CG 4.38Å; P144-R146 WeakPolarHBondContact O-CG 3.47Å; P144-L148 HydrophobicContact CG-CD1 4.19Å
145	H	97.6	Very high	97.5	Very high	114 Å²	114	43.3 Å²	43.3	53%	0.528	22%	0.221	S	C	.	.			trans	56	42.9	-167.5	-56.7	-66.2	0	0	0	113.7	S139 M140 D141 G143	S139-H145 CarbonylContact O-C 3.36Å; S139-H145 WeakPolarHBondContact O-CA 3.17Å; S139-H145 PolarHBondContact O-N 3.08Å; M140-H145 WeakPolarHBondContact CE-O 3.38Å; M140-H145 WeakPolarHBondContact O-CA 3.43Å; M140-H145 PolarHBondContact O-ND1 3.34Å; D141-H145 PolarHBondContact O-CE1 3.35Å; D141-H145 VanDerWaalsContact O-CE1 3.28Å; G143-H145 PolarHBondContact O-CD2 3.13Å
146	R	97.8	Very high	97.9	Very high	66 Å²	66	37.4 Å²	37.4	25%	0.249	19%	0.192	C	C	.	.	S	Bend	trans	-139.2	146.5	-172.9	-69.7	171.2	78.6	170.2	6.5	111.8	C96 F99 S139 P144 L148 E151	C96-R146 PolarHBondContact O-NH1 3.34Å; F99-R146 PolarHBondContact O-NH1 2.9Å; F99-R146 PolarHBondContact O-NH2 2.71Å; S139-R146 CarbonylContact C-O 3.57Å; S139-R146 WeakPolarHBondContact CB-O 3.35Å; S139-R146 PolarHBondContact O-N 2.79Å; S139-R146 PolarHBondContact OG-O 2.79Å; P144-R146 VanDerWaalsContact C-N 3.32Å; P144-R146 HydrophobicContact CB-CB 4.11Å; P144-R146 HydrophobicContact CB-CG 4.38Å; P144-R146 WeakPolarHBondContact O-CG 3.47Å; R146-L148 HydrophobicContact CB-CD2 3.91Å; R146-L148 HydrophobicContact CB-CG 4.32Å; R146-L148 PolarHBondContact O-N 2.89Å; R146-E151 WeakPolarHBondContact CB-OE1 2.94Å; R146-E151 IonicContact CZ-OE1 3.61Å; R146-E151 IonicContact CZ-OE2 3.46Å; R146-E151 IonicContact NE-OE1 2.83Å; R146-E151 PolarHBondContact NE-OE1 2.83Å; R146-E151 IonicContact NE-OE2 3.5Å; R146-E151 PolarHBondContact NE-OE2 3.34Å; R146-E151 IonicContact NH2-OE1 3.57Å; R146-E151 IonicContact NH2-OE2 2.65Å; R146-E151 PolarHBondContact NH2-OE2 3Å
147	D	98.4	Very high	98.1	Very high	44 Å²	44	35.2 Å²	35.2	24%	0.235	18%	0.178	C	C	.	.			trans	-85.3	82.9	166.1	-179.5	3.8	0	0	0	109.4	V149 G150 E151 Y206	D147-V149 VanDerWaalsContact C-N 3.31Å; D147-V149 PolarHBondContact O-N 2.95Å; D147-G150 PolarHBondContact O-N 3.35Å; D147-G150 PolarHBondContact OD1-N 3.16Å; D147-E151 WeakPolarHBondContact O-CG 3.48Å; D147-E151 PolarHBondContact O-N 2.57Å; D147-Y206 PolarHBondContact OD1-OH 3.28Å; D147-Y206 WeakPolarHBondContact OD2-CE1 3.28Å; D147-Y206 PolarHBondContact OD2-OH 2.94Å
148	L	98.6	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-34.8	-173.9	-61	172.3	0	0	0	111.8	W46 M94 F99 L128 P144 R146 L152	W46-L148 HydrophobicContact CE3-CD1 4.34Å; W46-L148 HydrophobicContact CH2-CD1 3.75Å; W46-L148 HydrophobicContact CH2-CD2 4.01Å; W46-L148 HydrophobicContact CH2-CG 4.43Å; W46-L148 HydrophobicContact CZ3-CB 4.26Å; W46-L148 HydrophobicContact CZ3-CD1 3.64Å; W46-L148 HydrophobicContact CZ3-CD2 4.09Å; W46-L148 HydrophobicContact CZ3-CG 4.21Å; M94-L148 HydrophobicContact CE-CD1 4.38Å; F99-L148 HydrophobicContact CD1-CD2 3.53Å; F99-L148 HydrophobicContact CE1-CD2 3.6Å; F99-L148 HydrophobicContact CG-CD2 4.4Å; F99-L148 HydrophobicContact CZ-CD2 4.49Å; L128-L148 HydrophobicContact CB-CB 4.29Å; L128-L148 HydrophobicContact CD2-CD1 4.15Å; L128-L148 PolarHBondContact O-N 2.69Å; L128-L148 VanDerWaalsContact O-N 3.08Å; P144-L148 HydrophobicContact CG-CD1 4.19Å; R146-L148 HydrophobicContact CB-CD2 3.91Å; R146-L148 HydrophobicContact CB-CG 4.32Å; R146-L148 PolarHBondContact O-N 2.89Å; L148-L152 WeakPolarHBondContact O-CB 2.95Å; L148-L152 PolarHBondContact O-N 3.2Å
149	V	98.8	Very high	98.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-51.1	172.3	174	0	0	0	0	110.2	L118 L128 W129 D147 E151 L152 A153 F163 L165 Y206	L118-V149 HydrophobicContact CD2-CB 4.48Å; L118-V149 HydrophobicContact CD2-CG2 3.94Å; L128-V149 HydrophobicContact CB-CG2 3.92Å; L128-V149 PolarHBondContact O-N 2.75Å; L128-V149 VanDerWaalsContact O-N 3.11Å; W129-V149 HydrophobicContact CB-CB 3.96Å; W129-V149 HydrophobicContact CB-CG2 3.88Å; W129-V149 HydrophobicContact CE3-CG2 4.15Å; D147-V149 VanDerWaalsContact C-N 3.31Å; D147-V149 PolarHBondContact O-N 2.95Å; V149-E151 PolarHBondContact O-N 2.93Å; V149-L152 PolarHBondContact O-N 3.31Å; V149-A153 WeakPolarHBondContact O-CB 3.18Å; V149-A153 PolarHBondContact O-N 3.44Å; V149-F163 HydrophobicContact CG1-CE1 4.42Å; V149-F163 HydrophobicContact CG1-CZ 4.2Å; V149-L165 HydrophobicContact CG1-CD1 4.03Å; V149-L165 HydrophobicContact CG1-CD2 4.01Å; V149-Y206 HydrophobicContact CB-CD1 4.5Å; V149-Y206 HydrophobicContact CB-CE1 4.3Å; V149-Y206 HydrophobicContact CB-CE2 4.36Å; V149-Y206 HydrophobicContact CG1-CD1 3.68Å; V149-Y206 HydrophobicContact CG1-CD2 3.57Å; V149-Y206 HydrophobicContact CG1-CE1 3.95Å; V149-Y206 HydrophobicContact CG1-CE2 3.87Å; V149-Y206 HydrophobicContact CG1-CG 3.49Å; V149-Y206 VanDerWaalsContact CG1-CG 3.49Å
150	G	98.8	Very high	98.2	Very high	14 Å²	14	52.3 Å²	52.3	14%	0.144	25%	0.25	C	S	.	.	H	α-helix	trans	-59.9	-45.2	179.5	0	0	0	0	0	113.1	D147 A153 V154 Y206	D147-G150 PolarHBondContact O-N 3.35Å; D147-G150 PolarHBondContact OD1-N 3.16Å; G150-A153 PolarHBondContact O-N 2.83Å; G150-V154 WeakPolarHBondContact O-CG2 3.48Å; G150-V154 PolarHBondContact O-N 2.89Å; G150-V154 VanDerWaalsContact O-N 3.09Å; G150-Y206 VanDerWaalsContact CA-CE1 3.45Å
151	E	98.7	Very high	98.2	Very high	61 Å²	61	49.2 Å²	49.2	29%	0.285	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-47.2	179	-71.3	-172.4	-127.1	0	0	112.6	F99 A101 R146 D147 V149 V154 A155	F99-E151 HydrophobicContact CE1-CB 4.38Å; A101-E151 HydrophobicContact CB-CB 4.18Å; R146-E151 WeakPolarHBondContact CB-OE1 2.94Å; R146-E151 IonicContact CZ-OE1 3.61Å; R146-E151 IonicContact CZ-OE2 3.46Å; R146-E151 IonicContact NE-OE1 2.83Å; R146-E151 PolarHBondContact NE-OE1 2.83Å; R146-E151 IonicContact NE-OE2 3.5Å; R146-E151 PolarHBondContact NE-OE2 3.34Å; R146-E151 IonicContact NH2-OE1 3.57Å; R146-E151 IonicContact NH2-OE2 2.65Å; R146-E151 PolarHBondContact NH2-OE2 3Å; D147-E151 WeakPolarHBondContact O-CG 3.48Å; D147-E151 PolarHBondContact O-N 2.57Å; V149-E151 PolarHBondContact O-N 2.93Å; E151-V154 PolarHBondContact O-N 2.97Å; E151-A155 PolarHBondContact O-N 3.05Å; E151-A155 VanDerWaalsContact O-N 3.11Å
152	L	98.7	Very high	98.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-40.2	176.1	-76.1	169	0	0	0	111.7	M44 F99 A101 F104 L118 L148 V149 V154 A155 I156 F163	M44-L152 HydrophobicContact SD-CD1 4.17Å; F99-L152 HydrophobicContact CE2-CD2 4.04Å; F99-L152 HydrophobicContact CE2-CG 4.34Å; F99-L152 HydrophobicContact CZ-CD1 4.26Å; F99-L152 HydrophobicContact CZ-CD2 3.82Å; F99-L152 HydrophobicContact CZ-CG 3.78Å; A101-L152 HydrophobicContact CB-CD2 4.22Å; F104-L152 HydrophobicContact CB-CD2 4.09Å; L118-L152 HydrophobicContact CD1-CD1 3.98Å; L118-L152 HydrophobicContact CD2-CD1 3.65Å; L118-L152 HydrophobicContact CG-CD1 4.37Å; L148-L152 WeakPolarHBondContact O-CB 2.95Å; L148-L152 PolarHBondContact O-N 3.2Å; V149-L152 PolarHBondContact O-N 3.31Å; L152-V154 VanDerWaalsContact C-N 3.27Å; L152-V154 PolarHBondContact O-N 3.4Å; L152-A155 PolarHBondContact O-N 3.5Å; L152-I156 VanDerWaalsContact O-CB 3.25Å; L152-I156 WeakPolarHBondContact O-CB 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.42Å; L152-I156 PolarHBondContact O-N 3.3Å; L152-F163 HydrophobicContact CB-CE2 4.24Å
153	A	98.8	Very high	98.4	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-37.8	178.9	0	0	0	0	0	112.3	V149 G150 R157 F163	V149-A153 WeakPolarHBondContact O-CB 3.18Å; V149-A153 PolarHBondContact O-N 3.44Å; G150-A153 PolarHBondContact O-N 2.83Å; A153-R157 WeakPolarHBondContact O-CB 3.27Å; A153-R157 VanDerWaalsContact O-CG 3.23Å; A153-R157 WeakPolarHBondContact O-CG 3.09Å; A153-R157 PolarHBondContact O-N 3.44Å; A153-F163 HydrophobicContact CB-CD1 3.82Å; A153-F163 HydrophobicContact CB-CD2 4.2Å; A153-F163 HydrophobicContact CB-CE1 3.57Å; A153-F163 HydrophobicContact CB-CE2 3.98Å; A153-F163 HydrophobicContact CB-CG 4.11Å; A153-F163 HydrophobicContact CB-CZ 3.65Å
154	V	98.9	Very high	98.5	Very high	103 Å²	103	48 Å²	48	62%	0.624	22%	0.22	S	C	*	.	H	α-helix	trans	-69.7	-50.4	174.5	170.9	0	0	0	0	111	G150 E151 L152 R157 K158	G150-V154 WeakPolarHBondContact O-CG2 3.48Å; G150-V154 PolarHBondContact O-N 2.89Å; G150-V154 VanDerWaalsContact O-N 3.09Å; E151-V154 PolarHBondContact O-N 2.97Å; L152-V154 VanDerWaalsContact C-N 3.27Å; L152-V154 PolarHBondContact O-N 3.4Å; V154-R157 PolarHBondContact O-N 2.8Å; V154-K158 WeakPolarHBondContact O-CB 2.84Å; V154-K158 PolarHBondContact O-N 2.95Å
155	A	98.8	Very high	98.6	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-44.2	-175.5	0	0	0	0	0	112.8	A101 A105 E151 L152 R157 K158 A159	A101-A155 VanDerWaalsContact C-CB 3.5Å; A101-A155 HydrophobicContact CB-CB 3.75Å; A101-A155 VanDerWaalsContact O-CB 3.28Å; A101-A155 WeakPolarHBondContact O-CB 3.49Å; A105-A155 HydrophobicContact CB-CB 3.83Å; A105-A155 WeakPolarHBondContact CB-O 3.31Å; E151-A155 PolarHBondContact O-N 3.05Å; E151-A155 VanDerWaalsContact O-N 3.11Å; L152-A155 PolarHBondContact O-N 3.5Å; A155-R157 PolarHBondContact O-N 2.93Å; A155-K158 WeakPolarHBondContact O-CB 3.4Å; A155-K158 PolarHBondContact O-N 2.8Å; A155-A159 PolarHBondContact O-N 3.48Å
156	I	98.8	Very high	98.7	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-42.9	178.8	-68.1	-68	0	0	0	111	A105 V108 F116 L152 A159 R160 I161 F163	A105-I156 HydrophobicContact CB-CD1 4.09Å; V108-I156 HydrophobicContact CB-CD1 4.33Å; V108-I156 HydrophobicContact CG1-CD1 4.48Å; V108-I156 HydrophobicContact CG2-CD1 4.21Å; F116-I156 HydrophobicContact CB-CD1 4.08Å; F116-I156 HydrophobicContact CB-CG1 4.42Å; F116-I156 HydrophobicContact CB-CG2 3.94Å; F116-I156 HydrophobicContact CD1-CD1 4Å; F116-I156 HydrophobicContact CD1-CG1 3.83Å; F116-I156 HydrophobicContact CD2-CD1 4.18Å; F116-I156 HydrophobicContact CE1-CD1 4.46Å; F116-I156 HydrophobicContact CE1-CG1 4.27Å; F116-I156 HydrophobicContact CG-CD1 3.82Å; F116-I156 HydrophobicContact CG-CG1 4.14Å; L152-I156 VanDerWaalsContact O-CB 3.25Å; L152-I156 WeakPolarHBondContact O-CB 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.42Å; L152-I156 PolarHBondContact O-N 3.3Å; I156-A159 CarbonylContact O-C 3.5Å; I156-A159 WeakPolarHBondContact O-CB 3.28Å; I156-A159 PolarHBondContact O-N 2.91Å; I156-R160 PolarHBondContact O-N 3.12Å; I156-I161 HydrophobicContact CG2-CB 3.76Å; I156-I161 HydrophobicContact CG2-CG2 3.79Å; I156-I161 PolarHBondContact O-N 3.22Å; I156-I161 VanDerWaalsContact O-N 3.1Å; I156-F163 HydrophobicContact CB-CD2 4.13Å; I156-F163 HydrophobicContact CG1-CD2 4.34Å; I156-F163 HydrophobicContact CG2-CB 4.14Å; I156-F163 HydrophobicContact CG2-CD2 4.12Å
157	R	98.7	Very high	98.7	Very high	95 Å²	95	39 Å²	39	36%	0.358	18%	0.18	S	C	.	.	H	α-helix	trans	-68.2	-37.3	176.2	-73	-177.3	-178.2	110.7	2.7	112.8	A153 V154 A155 A159 R160 F163 Y206 K207	A153-R157 WeakPolarHBondContact O-CB 3.27Å; A153-R157 VanDerWaalsContact O-CG 3.23Å; A153-R157 WeakPolarHBondContact O-CG 3.09Å; A153-R157 PolarHBondContact O-N 3.44Å; V154-R157 PolarHBondContact O-N 2.8Å; A155-R157 PolarHBondContact O-N 2.93Å; R157-A159 PolarHBondContact O-N 3.39Å; R157-R160 WeakPolarHBondContact O-CA 3.33Å; R157-R160 PolarHBondContact O-N 3.36Å; R157-F163 HydrophobicContact CG-CB 4.36Å; R157-Y206 PolarHBondContact NH1-O 3.05Å; R157-Y206 VanDerWaalsContact NH1-O 3.17Å; R157-Y206 PolarHBondContact NH2-O 3.29Å; R157-K207 PolarHBondContact NH2-O 2.63Å
158	K	98.6	Very high	98.7	Very high	143 Å²	143	36.9 Å²	36.9	62%	0.622	17%	0.169	S	C	*	.	H	α-helix	trans	-59.4	-34.2	172.2	178.1	-177.1	167.5	-163.2	0	111.3	D102 V154 A155 R160	D102-K158 IonicContact OD1-NZ 2.87Å; D102-K158 PolarHBondContact OD1-NZ 2.84Å; D102-K158 IonicContact OD2-NZ 3.79Å; D102-K158 PolarHBondContact OD2-NZ 2.81Å; V154-K158 WeakPolarHBondContact O-CB 2.84Å; V154-K158 PolarHBondContact O-N 2.95Å; A155-K158 WeakPolarHBondContact O-CB 3.4Å; A155-K158 PolarHBondContact O-N 2.8Å; K158-R160 PolarHBondContact O-N 3.43Å
159	A	98.3	Very high	98.7	Very high	24 Å²	24	37 Å²	37	20%	0.198	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2.6	171.8	0	0	0	0	0	114.7	A105 R109 A155 I156 R157 I161	A105-A159 HydrophobicContact CB-CB 4.1Å; R109-A159 HydrophobicContact CB-CB 4.38Å; A155-A159 PolarHBondContact O-N 3.48Å; I156-A159 CarbonylContact O-C 3.5Å; I156-A159 WeakPolarHBondContact O-CB 3.28Å; I156-A159 PolarHBondContact O-N 2.91Å; R157-A159 PolarHBondContact O-N 3.39Å; A159-I161 VanDerWaalsContact C-N 3.29Å; A159-I161 HydrophobicContact CB-CD1 4.06Å; A159-I161 HydrophobicContact CB-CG1 4.27Å; A159-I161 PolarHBondContact O-N 2.7Å
160	R	98.1	Very high	98.6	Very high	236 Å²	236	37.7 Å²	37.7	89%	0.891	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	31.6	-177.3	-55.2	-177.9	177	171.7	-0.8	114.3	I156 R157 K158	I156-R160 PolarHBondContact O-N 3.12Å; R157-R160 WeakPolarHBondContact O-CA 3.33Å; R157-R160 PolarHBondContact O-N 3.36Å; K158-R160 PolarHBondContact O-N 3.43Å
161	I	98.7	Very high	98.6	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.046	17%	0.169	C	C	.	.			trans	-104.7	141.2	176.9	-60.6	173.3	0	0	0	107.5	V108 R109 F116 I156 A159	V108-I161 HydrophobicContact CB-CD1 4.11Å; V108-I161 HydrophobicContact CG1-CD1 3.67Å; V108-I161 HydrophobicContact CG1-CG2 4.36Å; R109-I161 HydrophobicContact CB-CD1 4.05Å; F116-I161 HydrophobicContact CB-CG2 4.15Å; I156-I161 HydrophobicContact CG2-CB 3.76Å; I156-I161 HydrophobicContact CG2-CG2 3.79Å; I156-I161 PolarHBondContact O-N 3.22Å; I156-I161 VanDerWaalsContact O-N 3.1Å; A159-I161 VanDerWaalsContact C-N 3.29Å; A159-I161 HydrophobicContact CB-CD1 4.06Å; A159-I161 HydrophobicContact CB-CG1 4.27Å; A159-I161 PolarHBondContact O-N 2.7Å
162	R	98.7	Very high	98.5	Very high	79 Å²	79	35.6 Å²	35.6	30%	0.298	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.1	178.5	-63.6	-175.4	174.6	-85.1	11.3	110.1	W34 R114 Y115 F116 E209	W34-R162 VanDerWaalsContact CB-NH2 3.33Å; W34-R162 HydrophobicContact CE3-CG 4.41Å; W34-R162 HydrophobicContact CH2-CB 4.48Å; W34-R162 HydrophobicContact CZ3-CB 4.33Å; W34-R162 VanDerWaalsContact CZ3-CD 3.45Å; R114-R162 PolarHBondContact O-N 2.88Å; Y115-R162 CarbonylContact C-O 3.41Å; Y115-R162 WeakPolarHBondContact CA-O 3.27Å; F116-R162 PolarHBondContact N-O 2.82Å; R162-E209 WeakPolarHBondContact CB-OE2 3.37Å; R162-E209 VanDerWaalsContact CG-OE2 3.22Å; R162-E209 WeakPolarHBondContact CG-OE2 3.05Å; R162-E209 IonicContact CZ-OE1 2.83Å; R162-E209 IonicContact CZ-OE2 2.78Å; R162-E209 IonicContact NH1-OE1 3.42Å; R162-E209 PolarHBondContact NH1-OE1 3.45Å; R162-E209 IonicContact NH1-OE2 3.79Å; R162-E209 PolarHBondContact NH1-OE2 3.12Å
163	F	98.9	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.7	-174.7	-179.3	-100.5	0	0	0	110.3	F116 V149 L152 A153 I156 R157 L165 P208 E209	F116-F163 AromaticContact CD1-CD2 3.98Å; F116-F163 HydrophobicContact CD1-CD2 3.98Å; F116-F163 HydrophobicContact CD1-CE2 4.03Å; F116-F163 HydrophobicContact CE1-CE2 4.19Å; V149-F163 HydrophobicContact CG1-CE1 4.42Å; V149-F163 HydrophobicContact CG1-CZ 4.2Å; L152-F163 HydrophobicContact CB-CE2 4.24Å; A153-F163 HydrophobicContact CB-CD1 3.82Å; A153-F163 HydrophobicContact CB-CD2 4.2Å; A153-F163 HydrophobicContact CB-CE1 3.57Å; A153-F163 HydrophobicContact CB-CE2 3.98Å; A153-F163 HydrophobicContact CB-CG 4.11Å; A153-F163 HydrophobicContact CB-CZ 3.65Å; I156-F163 HydrophobicContact CB-CD2 4.13Å; I156-F163 HydrophobicContact CG1-CD2 4.34Å; I156-F163 HydrophobicContact CG2-CB 4.14Å; I156-F163 HydrophobicContact CG2-CD2 4.12Å; R157-F163 HydrophobicContact CG-CB 4.36Å; F163-L165 HydrophobicContact CE1-CD1 4.18Å; F163-L165 HydrophobicContact CE1-CD2 3.68Å; F163-L165 HydrophobicContact CE1-CG 3.74Å; F163-L165 HydrophobicContact CZ-CD2 3.49Å; F163-L165 VanDerWaalsContact CZ-CD2 3.49Å; F163-L165 HydrophobicContact CZ-CG 4.1Å; F163-P208 HydrophobicContact CD1-CB 4.47Å; F163-P208 CarbonylContact O-C 3.36Å; F163-P208 WeakPolarHBondContact O-CA 3.31Å; F163-E209 PolarHBondContact O-N 2.9Å
164	G	98.9	Very high	98.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	161.5	-178.6	0	0	0	0	0	111.3	F116 V117 L118 I210	F116-G164 WeakPolarHBondContact O-CA 3.47Å; F116-G164 PolarHBondContact O-N 2.01Å; V117-G164 WeakPolarHBondContact CA-O 3.46Å; L118-G164 PolarHBondContact N-O 3.45Å; L118-G164 VanDerWaalsContact N-O 3.14Å; G164-I210 CarbonylContact C-O 3.4Å; G164-I210 WeakPolarHBondContact CA-O 3.31Å
165	L	98.9	Very high	98.2	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.4	-179.7	-70.8	179.6	0	0	0	110.7	L118 V149 F163 L202 P208 I210 V211 W212	L118-L165 HydrophobicContact CB-CD2 3.97Å; L118-L165 HydrophobicContact CD2-CD2 4.39Å; L118-L165 WeakPolarHBondContact O-CA 3.45Å; V149-L165 HydrophobicContact CG1-CD1 4.03Å; V149-L165 HydrophobicContact CG1-CD2 4.01Å; F163-L165 HydrophobicContact CE1-CD1 4.18Å; F163-L165 HydrophobicContact CE1-CD2 3.68Å; F163-L165 HydrophobicContact CE1-CG 3.74Å; F163-L165 HydrophobicContact CZ-CD2 3.49Å; F163-L165 VanDerWaalsContact CZ-CD2 3.49Å; F163-L165 HydrophobicContact CZ-CG 4.1Å; L165-L202 HydrophobicContact CD1-CB 4.2Å; L165-L202 HydrophobicContact CD1-CD1 4.43Å; L165-L202 HydrophobicContact CD1-CD2 3.79Å; L165-L202 HydrophobicContact CD1-CG 4.37Å; L165-P208 HydrophobicContact CB-CB 4.12Å; L165-P208 HydrophobicContact CB-CG 4.41Å; L165-P208 HydrophobicContact CD1-CB 4.17Å; L165-P208 HydrophobicContact CD1-CG 4.12Å; L165-P208 HydrophobicContact CG-CB 3.93Å; L165-P208 HydrophobicContact CG-CG 4.36Å; L165-I210 PolarHBondContact N-O 3.47Å; L165-V211 WeakPolarHBondContact O-CA 3.4Å; L165-W212 PolarHBondContact O-N 3.1Å
166	Y	98.8	Very high	98.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	141.2	163.3	164.2	-71.2	0	0	0	109.8	F43 L118 T119 S120 K121 H123 W212 D214	F43-Y166 HydrophobicContact CE2-CD2 4.01Å; F43-Y166 HydrophobicContact CE2-CG 4.11Å; F43-Y166 AromaticContact CZ-CD2 3.45Å; F43-Y166 HydrophobicContact CZ-CD2 3.45Å; F43-Y166 VanDerWaalsContact CZ-CD2 3.45Å; F43-Y166 HydrophobicContact CZ-CE2 4.16Å; F43-Y166 HydrophobicContact CZ-CG 4.03Å; L118-Y166 PolarHBondContact O-N 3.22Å; T119-Y166 HydrophobicContact CG2-CD1 3.63Å; T119-Y166 HydrophobicContact CG2-CD2 4.41Å; T119-Y166 HydrophobicContact CG2-CE1 4.12Å; T119-Y166 HydrophobicContact CG2-CG 3.81Å; S120-Y166 PolarHBondContact N-O 2.7Å; S120-Y166 PolarHBondContact OG-O 3.06Å; K121-Y166 WeakPolarHBondContact O-CE1 3.45Å; H123-Y166 PolarHBondContact CE1-OH 3.16Å; Y166-W212 CarbonylContact C-O 3.51Å; Y166-W212 WeakPolarHBondContact CA-O 3.45Å; Y166-W212 AromaticContact CD2-CD2 4Å; Y166-W212 HydrophobicContact CD2-CD2 4Å; Y166-W212 AromaticContact CD2-CE3 3.15Å; Y166-W212 HydrophobicContact CD2-CE3 3.15Å; Y166-W212 AromaticContact CD2-CZ3 3.51Å; Y166-W212 HydrophobicContact CD2-CZ3 3.51Å; Y166-W212 AromaticContact CE2-CE3 3.51Å; Y166-W212 HydrophobicContact CE2-CE3 3.51Å; Y166-W212 HydrophobicContact CE2-CH2 4.36Å; Y166-W212 AromaticContact CE2-CZ3 3.33Å; Y166-W212 HydrophobicContact CE2-CZ3 3.33Å; Y166-W212 HydrophobicContact CG-CE3 4.28Å; Y166-D214 HydrophobicContact CD2-CB 4.32Å; Y166-D214 HydrophobicContact CE1-CB 4.42Å; Y166-D214 HydrophobicContact CE2-CB 3.37Å; Y166-D214 VanDerWaalsContact CE2-OD2 3.31Å; Y166-D214 WeakPolarHBondContact CE2-OD2 3.34Å; Y166-D214 VanDerWaalsContact CZ-CB 3.4Å; Y166-D214 WeakPolarHBondContact OH-CB 3.38Å; Y166-D214 PolarHBondContact OH-OD2 3.18Å
167	Y	98.8	Very high	98.2	Very high	2 Å²	2	43 Å²	43	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	122.1	175.5	-175.2	-90	0	0	0	110.9	K121 W129 L169 V195 Q198 L199 L202 W212 D214	K121-Y167 HydrophobicContact CB-CD2 4.45Å; K121-Y167 HydrophobicContact CB-CE2 4.46Å; K121-Y167 HydrophobicContact CD-CE2 4.18Å; K121-Y167 PolarHBondContact NZ-OH 2.86Å; W129-Y167 HydrophobicContact CH2-CD2 4.45Å; W129-Y167 HydrophobicContact CH2-CE2 4.2Å; Y167-L169 HydrophobicContact CD1-CD2 4.26Å; Y167-L169 HydrophobicContact CE1-CD2 4.34Å; Y167-L169 PolarHBondContact O-N 2.84Å; Y167-V195 HydrophobicContact CE1-CG1 4Å; Y167-V195 WeakPolarHBondContact OH-CA 3.3Å; Y167-Q198 HydrophobicContact CE2-CB 3.84Å; Y167-Q198 VanDerWaalsContact CE2-OE1 3.31Å; Y167-Q198 PolarHBondContact OH-OE1 3.09Å; Y167-L199 HydrophobicContact CD1-CD2 3.58Å; Y167-L199 HydrophobicContact CD1-CG 4.03Å; Y167-L199 HydrophobicContact CD2-CD2 4.07Å; Y167-L199 HydrophobicContact CE1-CD1 4.47Å; Y167-L199 HydrophobicContact CE1-CD2 4.1Å; Y167-L199 HydrophobicContact CE1-CG 4.02Å; Y167-L199 HydrophobicContact CG-CD2 3.57Å; Y167-L199 HydrophobicContact CG-CG 4.34Å; Y167-L202 HydrophobicContact CD2-CD1 3.73Å; Y167-L202 HydrophobicContact CE2-CD1 4.33Å; Y167-W212 PolarHBondContact N-O 2.88Å; Y167-D214 PolarHBondContact O-N 3.35Å; Y167-D214 VanDerWaalsContact O-N 3.08Å
168	S	98.6	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.8	168.1	170.6	0	0	0	0	111.3	K121 H123 L170	K121-S168 WeakPolarHBondContact CE-O 3.38Å; K121-S168 PolarHBondContact NZ-O 2.93Å; K121-S168 WeakPolarHBondContact O-CB 3.19Å; K121-S168 PolarHBondContact O-N 3.45Å; H123-S168 WeakPolarHBondContact CA-OG 3.47Å; H123-S168 WeakPolarHBondContact ND1-CB 3.29Å; H123-S168 PolarHBondContact ND1-OG 3.36Å; S168-L170 PolarHBondContact OG-O 2.89Å
169	L	98.6	Very high	98.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.187	C	C	.	.	S	Bend	trans	-62.1	-48.4	173.7	-66.4	177.1	0	0	0	111.6	Y167 Y190 V195 S213 D214 D216 W224 W249	Y167-L169 HydrophobicContact CD1-CD2 4.26Å; Y167-L169 HydrophobicContact CE1-CD2 4.34Å; Y167-L169 PolarHBondContact O-N 2.84Å; L169-Y190 WeakPolarHBondContact O-CE1 3.4Å; L169-Y190 PolarHBondContact O-OH 2.92Å; L169-Y190 VanDerWaalsContact O-OH 3.1Å; L169-V195 HydrophobicContact CD2-CG1 3.9Å; L169-V195 WeakPolarHBondContact O-CG2 3.28Å; L169-S213 WeakPolarHBondContact CD1-OG 3.43Å; L169-S213 WeakPolarHBondContact CG-OG 3.44Å; L169-D214 VanDerWaalsContact CB-O 3.29Å; L169-D214 WeakPolarHBondContact CB-O 3.28Å; L169-D214 WeakPolarHBondContact CG-O 3.48Å; L169-D214 PolarHBondContact N-O 3.34Å; L169-D216 HydrophobicContact CD1-CB 3.93Å; L169-W224 HydrophobicContact CB-CD2 4.04Å; L169-W224 HydrophobicContact CB-CE3 3.9Å; L169-W224 HydrophobicContact CB-CH2 3.89Å; L169-W224 HydrophobicContact CB-CZ2 4Å; L169-W224 HydrophobicContact CB-CZ3 3.84Å; L169-W224 HydrophobicContact CD1-CB 4.43Å; L169-W224 HydrophobicContact CD1-CD2 3.95Å; L169-W224 HydrophobicContact CD1-CE3 4.5Å; L169-W224 HydrophobicContact CD1-CG 3.9Å; L169-W224 HydrophobicContact CG-CD2 4.49Å; L169-W224 WeakPolarHBondContact O-CZ3 3.48Å; L169-W249 HydrophobicContact CD2-CZ3 4.5Å
170	L	97.3	Very high	98.1	Very high	16 Å²	16	36.9 Å²	36.9	8%	0.084	18%	0.177	C	C	.	.			trans	-83.8	162.4	179.7	74.3	78.1	0	0	0	113.4	H123 S168 W172 F177 G215 W217 W224	H123-L170 HydrophobicContact CB-CD1 3.79Å; S168-L170 PolarHBondContact OG-O 2.89Å; L170-W172 HydrophobicContact CD1-CG 4.22Å; L170-F177 HydrophobicContact CB-CE2 4.2Å; L170-F177 HydrophobicContact CB-CZ 4.11Å; L170-G215 WeakPolarHBondContact CB-O 3.33Å; L170-G215 WeakPolarHBondContact CD2-O 3.24Å; L170-W217 HydrophobicContact CD2-CE3 3.93Å; L170-W217 HydrophobicContact CD2-CZ3 4.29Å; L170-W224 HydrophobicContact CB-CH2 3.89Å; L170-W224 HydrophobicContact CB-CZ2 4.34Å
171	E	97.4	Very high	98	Very high	13 Å²	13	27.9 Å²	27.9	6%	0.061	15%	0.151	C	C	.	.			trans	-133.5	121.2	160.8	-83.3	164.9	-130.1	0	0	109.4	K121 H123 F173 N174 F177 Y190	K121-E171 IonicContact NZ-OE1 3.36Å; K121-E171 PolarHBondContact NZ-OE1 3.18Å; H123-E171 VanDerWaalsContact O-CA 3.29Å; H123-E171 WeakPolarHBondContact O-CA 3.32Å; E171-F173 PolarHBondContact O-N 3.46Å; E171-F173 VanDerWaalsContact O-N 3.11Å; E171-N174 HydrophobicContact CB-CB 3.52Å; E171-N174 HydrophobicContact CG-CB 4.45Å; E171-N174 PolarHBondContact O-N 3.43Å; E171-N174 WeakPolarHBondContact OE2-CB 3.37Å; E171-N174 PolarHBondContact OE2-ND2 2.84Å; E171-F177 WeakPolarHBondContact O-CD1 3.46Å; E171-Y190 HydrophobicContact CB-CE2 4.34Å; E171-Y190 VanDerWaalsContact CD-OH 3.28Å; E171-Y190 VanDerWaalsContact CG-OH 3.28Å; E171-Y190 WeakPolarHBondContact CG-OH 3.34Å; E171-Y190 PolarHBondContact N-OH 2.88Å; E171-Y190 PolarHBondContact OE1-OH 2.84Å
172	W	96.7	Very high	98	Very high	18 Å²	18	34.1 Å²	34.1	7%	0.068	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.8	-169.7	-63.7	-49.3	0	0	0	114.1	W60 W62 W63 H123 E124 L170	W60-W172 HydrophobicContact CD2-CH2 4.34Å; W60-W172 AromaticContact CD2-CZ2 3.72Å; W60-W172 HydrophobicContact CD2-CZ2 3.72Å; W60-W172 HydrophobicContact CE3-CH2 4.29Å; W60-W172 AromaticContact CE3-CZ2 3.43Å; W60-W172 HydrophobicContact CE3-CZ2 3.43Å; W60-W172 VanDerWaalsContact CE3-CZ2 3.43Å; W60-W172 HydrophobicContact CG-CH2 4.49Å; W60-W172 HydrophobicContact CG-CZ2 4.32Å; W60-W172 HydrophobicContact CH2-CZ2 4.28Å; W60-W172 AromaticContact CZ3-CE2 3.99Å; W60-W172 AromaticContact CZ3-CZ2 3.74Å; W60-W172 HydrophobicContact CZ3-CZ2 3.74Å; W60-W172 AromaticContact CZ3-NE1 3.74Å; W62-W172 HydrophobicContact CB-CE3 4.15Å; W62-W172 HydrophobicContact CB-CZ3 3.93Å; W62-W172 HydrophobicContact CE3-CE3 4.22Å; W63-W172 HydrophobicContact CB-CD2 3.73Å; W63-W172 HydrophobicContact CB-CE3 3.91Å; W63-W172 HydrophobicContact CB-CG 4.36Å; W63-W172 HydrophobicContact CB-CH2 3.98Å; W63-W172 HydrophobicContact CB-CZ2 3.74Å; W63-W172 HydrophobicContact CB-CZ3 4.05Å; W63-W172 HydrophobicContact CD2-CG 4.41Å; W63-W172 HydrophobicContact CE3-CB 3.98Å; W63-W172 AromaticContact CE3-CD1 3.77Å; W63-W172 HydrophobicContact CE3-CD2 4.37Å; W63-W172 AromaticContact CE3-CG 3.79Å; W63-W172 HydrophobicContact CE3-CG 3.79Å; W63-W172 HydrophobicContact CG-CD2 4.43Å; W63-W172 HydrophobicContact CG-CZ2 4.49Å; W63-W172 HydrophobicContact CZ3-CB 4.45Å; H123-W172 HydrophobicContact CB-CD2 3.78Å; H123-W172 HydrophobicContact CB-CE3 4.16Å; H123-W172 HydrophobicContact CB-CG 4.44Å; H123-W172 HydrophobicContact CB-CH2 3.71Å; H123-W172 HydrophobicContact CB-CZ2 3.33Å; H123-W172 HydrophobicContact CB-CZ3 4.11Å; H123-W172 AromaticContact CD2-CZ2 3.73Å; H123-W172 AromaticContact CG-CZ2 3.86Å; H123-W172 PolarHBondContact O-N 2.86Å; H123-W172 VanDerWaalsContact O-N 3.12Å; E124-W172 HydrophobicContact CB-CZ3 4.23Å; L170-W172 HydrophobicContact CD1-CG 4.22Å
173	F	97.1	Very high	97.8	Very high	59 Å²	59	32 Å²	32	26%	0.259	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	18.7	-171.4	-52.3	-69.9	0	0	0	113.3	W62 W63 Q66 E171	W62-F173 AromaticContact CD1-CE2 3.84Å; W62-F173 AromaticContact CD2-CD2 3.49Å; W62-F173 HydrophobicContact CD2-CD2 3.49Å; W62-F173 VanDerWaalsContact CD2-CD2 3.49Å; W62-F173 AromaticContact CD2-CE2 3.67Å; W62-F173 HydrophobicContact CD2-CE2 3.67Å; W62-F173 AromaticContact CE2-CD2 3.32Å; W62-F173 AromaticContact CE2-CE2 3.69Å; W62-F173 AromaticContact CE3-CD2 3.69Å; W62-F173 HydrophobicContact CE3-CD2 3.69Å; W62-F173 HydrophobicContact CE3-CE2 4.18Å; W62-F173 HydrophobicContact CG-CD2 4.16Å; W62-F173 AromaticContact CG-CE2 3.82Å; W62-F173 HydrophobicContact CG-CE2 3.82Å; W62-F173 HydrophobicContact CH2-CB 3.81Å; W62-F173 AromaticContact CH2-CD2 3.69Å; W62-F173 HydrophobicContact CH2-CD2 3.69Å; W62-F173 HydrophobicContact CH2-CG 4.2Å; W62-F173 HydrophobicContact CZ2-CB 3.95Å; W62-F173 AromaticContact CZ2-CD2 3.45Å; W62-F173 HydrophobicContact CZ2-CD2 3.45Å; W62-F173 VanDerWaalsContact CZ2-CD2 3.45Å; W62-F173 HydrophobicContact CZ2-CE2 4.27Å; W62-F173 HydrophobicContact CZ2-CG 4.01Å; W62-F173 HydrophobicContact CZ3-CB 4.4Å; W62-F173 AromaticContact CZ3-CD2 3.79Å; W62-F173 HydrophobicContact CZ3-CD2 3.79Å; W62-F173 AromaticContact NE1-CD2 3.8Å; W62-F173 AromaticContact NE1-CE2 3.74Å; W63-F173 HydrophobicContact CE3-CE1 4.41Å; W63-F173 AromaticContact CE3-CZ 3.89Å; W63-F173 HydrophobicContact CE3-CZ 3.89Å; W63-F173 HydrophobicContact CZ3-CE1 4.34Å; W63-F173 HydrophobicContact CZ3-CZ 4.27Å; Q66-F173 HydrophobicContact CB-CE2 4.27Å; Q66-F173 HydrophobicContact CB-CZ 3.9Å; E171-F173 PolarHBondContact O-N 3.46Å; E171-F173 VanDerWaalsContact O-N 3.11Å
174	N	97.2	Very high	97.7	Very high	22 Å²	22	36.6 Å²	36.6	12%	0.118	21%	0.213	C	C	.	.			trans	-67.4	128.4	175.4	-176.4	-63.7	0	0	0	110.1	E171 L176 F177 L178 Y190	E171-N174 HydrophobicContact CB-CB 3.52Å; E171-N174 HydrophobicContact CG-CB 4.45Å; E171-N174 PolarHBondContact O-N 3.43Å; E171-N174 WeakPolarHBondContact OE2-CB 3.37Å; E171-N174 PolarHBondContact OE2-ND2 2.84Å; N174-L176 VanDerWaalsContact C-N 3.27Å; N174-L176 PolarHBondContact O-N 2.77Å; N174-L176 WeakPolarHBondContact OD1-CB 3.22Å; N174-L176 PolarHBondContact OD1-N 2.85Å; N174-F177 HydrophobicContact CB-CB 3.98Å; N174-F177 PolarHBondContact O-N 2.84Å; N174-F177 VanDerWaalsContact O-N 3.08Å; N174-F177 PolarHBondContact OD1-N 2.93Å; N174-L178 WeakPolarHBondContact O-CG 3.09Å; N174-L178 PolarHBondContact O-N 2.69Å; N174-Y190 HydrophobicContact CB-CD2 4.35Å; N174-Y190 HydrophobicContact CB-CE2 4Å
175	P	97.4	Very high	97.6	Very high	101 Å²	101	39.3 Å²	39.3	66%	0.656	23%	0.226	S	C	*	.	H	α-helix	trans	-57.4	-35.5	-178.1	-27.7	35.5	0	0	0	114.6	S179	P175-S179 VanDerWaalsContact O-CB 3.25Å; P175-S179 WeakPolarHBondContact O-CB 3.21Å; P175-S179 PolarHBondContact O-N 3.3Å
176	L	98.1	Very high	97.4	Very high	58 Å²	58	44.8 Å²	44.8	30%	0.304	26%	0.259	S	S	.	.	H	α-helix	trans	-71.5	-40.3	176.8	-62.8	-179.9	0	0	0	111.1	N174 S179 D180 Y190 N193 I194	N174-L176 VanDerWaalsContact C-N 3.27Å; N174-L176 PolarHBondContact O-N 2.77Å; N174-L176 WeakPolarHBondContact OD1-CB 3.22Å; N174-L176 PolarHBondContact OD1-N 2.85Å; L176-S179 WeakPolarHBondContact O-CB 3.37Å; L176-S179 PolarHBondContact O-N 2.8Å; L176-D180 PolarHBondContact O-N 2.97Å; L176-Y190 HydrophobicContact CB-CD2 4.13Å; L176-N193 HydrophobicContact CD1-CB 4.1Å; L176-I194 HydrophobicContact CD1-CD1 4.09Å; L176-I194 HydrophobicContact CD1-CG1 3.9Å
177	F	97.8	Very high	97.3	Very high	24 Å²	24	47.8 Å²	47.8	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-44.3	176.2	-178.9	-106.3	0	0	0	111.1	L170 E171 N174 S179 D180 S181 F185 Y190 L219 Y223 W224	L170-F177 HydrophobicContact CB-CE2 4.2Å; L170-F177 HydrophobicContact CB-CZ 4.11Å; E171-F177 WeakPolarHBondContact O-CD1 3.46Å; N174-F177 HydrophobicContact CB-CB 3.98Å; N174-F177 PolarHBondContact O-N 2.84Å; N174-F177 VanDerWaalsContact O-N 3.08Å; N174-F177 PolarHBondContact OD1-N 2.93Å; F177-S179 VanDerWaalsContact C-N 3.31Å; F177-S179 PolarHBondContact O-N 2.72Å; F177-D180 PolarHBondContact O-N 3.05Å; F177-S181 WeakPolarHBondContact O-CB 3.44Å; F177-S181 PolarHBondContact O-N 3.4Å; F177-F185 AromaticContact CE2-CE1 3.94Å; F177-F185 HydrophobicContact CE2-CE1 3.94Å; F177-F185 HydrophobicContact CZ-CE1 4.14Å; F177-F185 HydrophobicContact CZ-CZ 4.39Å; F177-Y190 HydrophobicContact CB-CD1 3.98Å; F177-Y190 HydrophobicContact CB-CD2 3.9Å; F177-Y190 HydrophobicContact CB-CE1 4.28Å; F177-Y190 HydrophobicContact CB-CE2 4.25Å; F177-Y190 HydrophobicContact CB-CG 3.77Å; F177-Y190 AromaticContact CD2-CD1 3.64Å; F177-Y190 HydrophobicContact CD2-CD1 3.64Å; F177-Y190 AromaticContact CD2-CE1 3.91Å; F177-Y190 HydrophobicContact CD2-CE1 3.91Å; F177-Y190 HydrophobicContact CD2-CG 4.23Å; F177-Y190 HydrophobicContact CG-CD1 4.26Å; F177-Y190 HydrophobicContact CG-CE1 4.43Å; F177-L219 HydrophobicContact CE2-CD1 3.73Å; F177-L219 HydrophobicContact CZ-CD1 4.03Å; F177-Y223 HydrophobicContact CE2-CE1 4.49Å; F177-W224 HydrophobicContact CD2-CH2 4.46Å; F177-W224 AromaticContact CE2-CH2 3.89Å; F177-W224 HydrophobicContact CE2-CH2 3.89Å
178	L	97.7	Very high	97.2	Very high	71 Å²	71	50.2 Å²	50.2	37%	0.372	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-36.4	174.2	-66.4	177	0	0	0	112	N174 S181 N182	N174-L178 WeakPolarHBondContact O-CG 3.09Å; N174-L178 PolarHBondContact O-N 2.69Å; L178-S181 PolarHBondContact O-N 3.2Å; L178-N182 WeakPolarHBondContact O-CB 3.47Å; L178-N182 PolarHBondContact O-N 2.98Å; L178-N182 PolarHBondContact O-ND2 3.07Å
179	S	98.2	Very high	97.2	Very high	62 Å²	62	52.1 Å²	52.1	43%	0.434	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-45.6	174.1	-176.4	0	0	0	0	111.9	P175 L176 F177 S181 N182 S183	P175-S179 VanDerWaalsContact O-CB 3.25Å; P175-S179 WeakPolarHBondContact O-CB 3.21Å; P175-S179 PolarHBondContact O-N 3.3Å; L176-S179 WeakPolarHBondContact O-CB 3.37Å; L176-S179 PolarHBondContact O-N 2.8Å; F177-S179 VanDerWaalsContact C-N 3.31Å; F177-S179 PolarHBondContact O-N 2.72Å; S179-S181 VanDerWaalsContact C-N 3.33Å; S179-N182 PolarHBondContact O-N 2.97Å; S179-S183 PolarHBondContact O-N 2.69Å; S179-S183 VanDerWaalsContact O-N 3.14Å
180	D	98.2	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-39.7	174.6	-73	-20	0	0	0	110.7	L176 F177 N182 S183 S184 F185 T187 Q188 S189 Y190 Y223	L176-D180 PolarHBondContact O-N 2.97Å; F177-D180 PolarHBondContact O-N 3.05Å; D180-N182 PolarHBondContact O-N 2.9Å; D180-S183 CarbonylContact O-C 3.46Å; D180-S183 PolarHBondContact O-N 2.88Å; D180-S183 VanDerWaalsContact O-N 3.15Å; D180-S183 PolarHBondContact O-OG 3.47Å; D180-S184 PolarHBondContact O-N 2.9Å; D180-F185 HydrophobicContact CB-CD1 4.23Å; D180-F185 VanDerWaalsContact O-CA 3.31Å; D180-F185 WeakPolarHBondContact O-CA 3.48Å; D180-F185 PolarHBondContact O-N 3.24Å; D180-T187 VanDerWaalsContact CG-O 3.31Å; D180-T187 VanDerWaalsContact OD1-CB 3.29Å; D180-T187 WeakPolarHBondContact OD1-CB 3.36Å; D180-T187 PolarHBondContact OD1-OG1 3.02Å; D180-Q188 VanDerWaalsContact OD2-C 3.29Å; D180-S189 PolarHBondContact OD1-N 3.05Å; D180-S189 VanDerWaalsContact OD1-N 3.08Å; D180-S189 PolarHBondContact OD2-N 2.8Å; D180-Y190 VanDerWaalsContact OD2-CB 3.28Å; D180-Y190 WeakPolarHBondContact OD2-CB 3.28Å; D180-Y190 PolarHBondContact OD2-N 3.22Å; D180-Y223 HydrophobicContact CB-CE2 4.16Å; D180-Y223 PolarHBondContact OD2-OH 2.88Å
181	S	96.7	Very high	97.3	Very high	48 Å²	48	51.3 Å²	51.3	34%	0.336	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-41.9	173.7	-174.8	0	0	0	0	112.3	F177 L178 S179 S183 S184	F177-S181 WeakPolarHBondContact O-CB 3.44Å; F177-S181 PolarHBondContact O-N 3.4Å; L178-S181 PolarHBondContact O-N 3.2Å; S179-S181 VanDerWaalsContact C-N 3.33Å; S181-S183 PolarHBondContact O-N 2.99Å; S181-S184 PolarHBondContact O-N 3.01Å
182	N	97.3	Very high	97.3	Very high	140 Å²	140	56.6 Å²	56.6	75%	0.749	32%	0.323	S	S	*	.	H	α-helix	trans	-65.7	-24	177.4	-72.8	-26.7	0	0	0	112.6	L178 S179 D180 S184	L178-N182 WeakPolarHBondContact O-CB 3.47Å; L178-N182 PolarHBondContact O-N 2.98Å; L178-N182 PolarHBondContact O-ND2 3.07Å; S179-N182 PolarHBondContact O-N 2.97Å; D180-N182 PolarHBondContact O-N 2.9Å; N182-S184 VanDerWaalsContact C-N 3.29Å
183	S	96.1	Very high	97.4	Very high	33 Å²	33	59.8 Å²	59.8	23%	0.231	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	14	172.2	78.5	0	0	0	0	113	S179 D180 S181 F185 T186 T187	S179-S183 PolarHBondContact O-N 2.69Å; S179-S183 VanDerWaalsContact O-N 3.14Å; D180-S183 CarbonylContact O-C 3.46Å; D180-S183 PolarHBondContact O-N 2.88Å; D180-S183 VanDerWaalsContact O-N 3.15Å; D180-S183 PolarHBondContact O-OG 3.47Å; S181-S183 PolarHBondContact O-N 2.99Å; S183-F185 PolarHBondContact O-N 2.82Å; S183-T186 WeakPolarHBondContact O-CB 3.38Å; S183-T186 WeakPolarHBondContact O-CG2 3.21Å; S183-T186 PolarHBondContact O-N 3.25Å; S183-T186 PolarHBondContact O-OG1 3.03Å; S183-T187 PolarHBondContact OG-N 2.6Å; S183-T187 PolarHBondContact OG-OG1 2.92Å
184	S	96.2	Very high	97.5	Very high	97 Å²	97	57.6 Å²	57.6	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	33.9	-173.9	-55.2	0	0	0	0	113.3	D180 S181 N182 T186	D180-S184 PolarHBondContact O-N 2.9Å; S181-S184 PolarHBondContact O-N 3.01Å; N182-S184 VanDerWaalsContact C-N 3.29Å; S184-T186 PolarHBondContact O-N 3.03Å
185	F	96.5	Very high	97.5	Very high	58 Å²	58	56.5 Å²	56.5	25%	0.254	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	26.7	-178.9	-52.6	-78.9	0	0	0	113.8	F177 D180 S183 T187 L219 Y223	F177-F185 AromaticContact CE2-CE1 3.94Å; F177-F185 HydrophobicContact CE2-CE1 3.94Å; F177-F185 HydrophobicContact CZ-CE1 4.14Å; F177-F185 HydrophobicContact CZ-CZ 4.39Å; D180-F185 HydrophobicContact CB-CD1 4.23Å; D180-F185 VanDerWaalsContact O-CA 3.31Å; D180-F185 WeakPolarHBondContact O-CA 3.48Å; D180-F185 PolarHBondContact O-N 3.24Å; S183-F185 PolarHBondContact O-N 2.82Å; F185-T187 VanDerWaalsContact C-N 3.27Å; F185-L219 HydrophobicContact CB-CD2 4.44Å; F185-L219 HydrophobicContact CD1-CD1 3.87Å; F185-L219 HydrophobicContact CD1-CD2 3.83Å; F185-L219 HydrophobicContact CD2-CD2 3.41Å; F185-L219 VanDerWaalsContact CD2-CD2 3.41Å; F185-L219 HydrophobicContact CE1-CD1 3.51Å; F185-L219 HydrophobicContact CE1-CD2 3.83Å; F185-L219 HydrophobicContact CE1-CG 4.35Å; F185-L219 HydrophobicContact CE2-CD2 3.43Å; F185-L219 VanDerWaalsContact CE2-CD2 3.43Å; F185-L219 HydrophobicContact CG-CD1 4.49Å; F185-L219 HydrophobicContact CG-CD2 3.62Å; F185-L219 HydrophobicContact CZ-CD1 3.88Å; F185-L219 HydrophobicContact CZ-CD2 3.62Å; F185-L219 HydrophobicContact CZ-CG 4.35Å; F185-Y223 HydrophobicContact CB-CD2 3.83Å; F185-Y223 HydrophobicContact CB-CE2 4.01Å; F185-Y223 HydrophobicContact CB-CG 4.49Å; F185-Y223 HydrophobicContact CD1-CD2 4.16Å; F185-Y223 HydrophobicContact CD1-CE1 4.2Å; F185-Y223 AromaticContact CD1-CE2 3.63Å; F185-Y223 HydrophobicContact CD1-CE2 3.63Å; F185-Y223 AromaticContact CD1-CZ 3.64Å; F185-Y223 HydrophobicContact CG-CD2 4.44Å; F185-Y223 HydrophobicContact CG-CE2 4.3Å
186	T	95.4	Very high	97.6	Very high	118 Å²	118	52.9 Å²	52.9	72%	0.724	30%	0.3	S	S	*	.			trans	-76.5	-19.1	170.9	57.7	0	0	0	0	112.2	S183 S184	S183-T186 WeakPolarHBondContact O-CB 3.38Å; S183-T186 WeakPolarHBondContact O-CG2 3.21Å; S183-T186 PolarHBondContact O-N 3.25Å; S183-T186 PolarHBondContact O-OG1 3.03Å; S184-T186 PolarHBondContact O-N 3.03Å
187	T	96.5	Very high	97.6	Very high	62 Å²	62	52 Å²	52	38%	0.38	30%	0.299	S	S	.	.			trans	-104.9	156	168.7	56.1	0	0	0	0	110.3	D180 S183 F185 Y223	D180-T187 VanDerWaalsContact CG-O 3.31Å; D180-T187 VanDerWaalsContact OD1-CB 3.29Å; D180-T187 WeakPolarHBondContact OD1-CB 3.36Å; D180-T187 PolarHBondContact OD1-OG1 3.02Å; S183-T187 PolarHBondContact OG-N 2.6Å; S183-T187 PolarHBondContact OG-OG1 2.92Å; F185-T187 VanDerWaalsContact C-N 3.27Å; T187-Y223 WeakPolarHBondContact O-CE2 3.41Å
188	Q	96.8	Very high	97.6	Very high	53 Å²	53	50.9 Å²	50.9	25%	0.248	29%	0.294	C	S	.	.			trans	-126.4	34.4	179.2	-66.6	-178.7	-6.3	0	0	110.7	D180 Y190 V191 Q192 T222 Y223	D180-Q188 VanDerWaalsContact OD2-C 3.29Å; Q188-Y190 VanDerWaalsContact C-N 3.29Å; Q188-Y190 PolarHBondContact O-N 2.59Å; Q188-V191 HydrophobicContact CB-CB 4.27Å; Q188-V191 PolarHBondContact O-N 3.01Å; Q188-Q192 HydrophobicContact CB-CG 4.46Å; Q188-Q192 WeakPolarHBondContact O-CB 3.44Å; Q188-Q192 VanDerWaalsContact O-CG 3.3Å; Q188-Q192 WeakPolarHBondContact O-CG 3.27Å; Q188-Q192 PolarHBondContact O-N 3.45Å; Q188-T222 PolarHBondContact NE2-O 2.82Å; Q188-Y223 VanDerWaalsContact CD-O 3.31Å; Q188-Y223 HydrophobicContact CG-CD2 3.87Å; Q188-Y223 HydrophobicContact CG-CE2 4.2Å; Q188-Y223 PolarHBondContact NE2-O 3.39Å
189	S	98.2	Very high	97.7	Very high	40 Å²	40	47.7 Å²	47.7	28%	0.28	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-39	-174.7	-172.2	0	0	0	0	111.4	D180 N193	D180-S189 PolarHBondContact OD1-N 3.05Å; D180-S189 VanDerWaalsContact OD1-N 3.08Å; D180-S189 PolarHBondContact OD2-N 2.8Å; S189-N193 VanDerWaalsContact O-CB 3.29Å; S189-N193 WeakPolarHBondContact O-CB 3.28Å; S189-N193 PolarHBondContact O-N 3.4Å; S189-N193 PolarHBondContact O-ND2 3.28Å; S189-N193 PolarHBondContact OG-ND2 3.3Å
190	Y	98.5	Very high	97.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-45.6	175.2	176.2	-113.6	0	0	0	111.6	K121 L169 E171 N174 L176 F177 D180 Q188 Q192 I194 V195 W224	K121-Y190 PolarHBondContact NZ-OH 3.34Å; L169-Y190 WeakPolarHBondContact O-CE1 3.4Å; L169-Y190 PolarHBondContact O-OH 2.92Å; L169-Y190 VanDerWaalsContact O-OH 3.1Å; E171-Y190 HydrophobicContact CB-CE2 4.34Å; E171-Y190 VanDerWaalsContact CD-OH 3.28Å; E171-Y190 VanDerWaalsContact CG-OH 3.28Å; E171-Y190 WeakPolarHBondContact CG-OH 3.34Å; E171-Y190 PolarHBondContact N-OH 2.88Å; E171-Y190 PolarHBondContact OE1-OH 2.84Å; N174-Y190 HydrophobicContact CB-CD2 4.35Å; N174-Y190 HydrophobicContact CB-CE2 4Å; L176-Y190 HydrophobicContact CB-CD2 4.13Å; F177-Y190 HydrophobicContact CB-CD1 3.98Å; F177-Y190 HydrophobicContact CB-CD2 3.9Å; F177-Y190 HydrophobicContact CB-CE1 4.28Å; F177-Y190 HydrophobicContact CB-CE2 4.25Å; F177-Y190 HydrophobicContact CB-CG 3.77Å; F177-Y190 AromaticContact CD2-CD1 3.64Å; F177-Y190 HydrophobicContact CD2-CD1 3.64Å; F177-Y190 AromaticContact CD2-CE1 3.91Å; F177-Y190 HydrophobicContact CD2-CE1 3.91Å; F177-Y190 HydrophobicContact CD2-CG 4.23Å; F177-Y190 HydrophobicContact CG-CD1 4.26Å; F177-Y190 HydrophobicContact CG-CE1 4.43Å; D180-Y190 VanDerWaalsContact OD2-CB 3.28Å; D180-Y190 WeakPolarHBondContact OD2-CB 3.28Å; D180-Y190 PolarHBondContact OD2-N 3.22Å; Q188-Y190 VanDerWaalsContact C-N 3.29Å; Q188-Y190 PolarHBondContact O-N 2.59Å; Y190-Q192 PolarHBondContact O-N 3.36Å; Y190-I194 HydrophobicContact CD2-CB 3.82Å; Y190-I194 HydrophobicContact CD2-CG1 3.65Å; Y190-I194 HydrophobicContact CD2-CG2 4.35Å; Y190-I194 HydrophobicContact CE2-CB 3.66Å; Y190-I194 HydrophobicContact CE2-CG1 3.82Å; Y190-I194 HydrophobicContact CE2-CG2 3.68Å; Y190-I194 WeakPolarHBondContact O-CA 3.3Å; Y190-I194 VanDerWaalsContact O-CB 3.27Å; Y190-I194 WeakPolarHBondContact O-CB 3.16Å; Y190-I194 PolarHBondContact O-N 2.81Å; Y190-V195 HydrophobicContact CD1-CG2 3.87Å; Y190-V195 HydrophobicContact CE1-CG2 3.45Å; Y190-V195 VanDerWaalsContact CE1-CG2 3.45Å; Y190-V195 PolarHBondContact O-N 2.83Å; Y190-W224 HydrophobicContact CD1-CZ3 4.12Å; Y190-W224 HydrophobicContact CE1-CH2 4.41Å; Y190-W224 AromaticContact CE1-CZ3 3.95Å; Y190-W224 HydrophobicContact CE1-CZ3 3.95Å
191	V	98.5	Very high	97.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	28%	0.278	C	S	.	.	I	π-helix	trans	-64.7	-44.8	-178.4	177.6	0	0	0	0	111	Q188 V195 Q196 Y223 W224 N225	Q188-V191 HydrophobicContact CB-CB 4.27Å; Q188-V191 PolarHBondContact O-N 3.01Å; V191-V195 HydrophobicContact CG1-CB 4.39Å; V191-V195 PolarHBondContact O-N 3.45Å; V191-Q196 HydrophobicContact CG1-CG 4.04Å; V191-Q196 WeakPolarHBondContact O-CG 3.4Å; V191-Q196 PolarHBondContact O-N 3.1Å; V191-Y223 HydrophobicContact CG2-CD1 4.18Å; V191-Y223 HydrophobicContact CG2-CE1 3.69Å; V191-Y223 HydrophobicContact CG2-CE2 4.22Å; V191-Y223 WeakPolarHBondContact CG2-O 3.48Å; V191-W224 WeakPolarHBondContact CG1-O 3.26Å; V191-W224 HydrophobicContact CG2-CE3 3.68Å; V191-W224 HydrophobicContact CG2-CZ3 4.01Å; V191-N225 HydrophobicContact CG1-CB 4.32Å
192	Q	98.5	Very high	97.8	Very high	123 Å²	123	47.2 Å²	47.2	58%	0.575	26%	0.263	S	S	*	.	I	π-helix	trans	-70	-36.8	-178.3	-69.5	173.3	5	0	0	113.3	Q188 Y190 P197	Q188-Q192 HydrophobicContact CB-CG 4.46Å; Q188-Q192 WeakPolarHBondContact O-CB 3.44Å; Q188-Q192 VanDerWaalsContact O-CG 3.3Å; Q188-Q192 WeakPolarHBondContact O-CG 3.27Å; Q188-Q192 PolarHBondContact O-N 3.45Å; Y190-Q192 PolarHBondContact O-N 3.36Å; Q192-P197 VanDerWaalsContact O-CD 3.3Å; Q192-P197 WeakPolarHBondContact O-CD 3.21Å; Q192-P197 WeakPolarHBondContact O-CG 3.26Å
193	N	98.4	Very high	97.9	Very high	85 Å²	85	40.6 Å²	40.6	46%	0.455	23%	0.228	S	C	.	.	I	π-helix	trans	-101	-17.2	-172.3	-63.6	-79.3	0	0	0	113.9	E133 L176 S189	E133-N193 WeakPolarHBondContact CG-O 3.49Å; L176-N193 HydrophobicContact CD1-CB 4.1Å; S189-N193 VanDerWaalsContact O-CB 3.29Å; S189-N193 WeakPolarHBondContact O-CB 3.28Å; S189-N193 PolarHBondContact O-N 3.4Å; S189-N193 PolarHBondContact O-ND2 3.28Å; S189-N193 PolarHBondContact OG-ND2 3.3Å
194	I	98.5	Very high	98	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.067	24%	0.236	C	C	.	.	I	π-helix	trans	-120.3	-60	-178.8	-51	-63.2	0	0	0	110.8	E133 L176 Y190 Q198	E133-I194 HydrophobicContact CB-CD1 3.89Å; E133-I194 HydrophobicContact CB-CG2 4.39Å; E133-I194 HydrophobicContact CG-CD1 4.43Å; L176-I194 HydrophobicContact CD1-CD1 4.09Å; L176-I194 HydrophobicContact CD1-CG1 3.9Å; Y190-I194 HydrophobicContact CD2-CB 3.82Å; Y190-I194 HydrophobicContact CD2-CG1 3.65Å; Y190-I194 HydrophobicContact CD2-CG2 4.35Å; Y190-I194 HydrophobicContact CE2-CB 3.66Å; Y190-I194 HydrophobicContact CE2-CG1 3.82Å; Y190-I194 HydrophobicContact CE2-CG2 3.68Å; Y190-I194 WeakPolarHBondContact O-CA 3.3Å; Y190-I194 VanDerWaalsContact O-CB 3.27Å; Y190-I194 WeakPolarHBondContact O-CB 3.16Å; Y190-I194 PolarHBondContact O-N 2.81Å; I194-Q198 VanDerWaalsContact O-CB 3.26Å; I194-Q198 WeakPolarHBondContact O-CB 3.48Å; I194-Q198 WeakPolarHBondContact O-CG 3.26Å; I194-Q198 PolarHBondContact O-N 2.87Å; I194-Q198 VanDerWaalsContact O-N 3.1Å
195	V	98.6	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-65.6	-54	-169.8	178.3	0	0	0	0	112.1	Y167 L169 Y190 V191 Q198 L199 W224	Y167-V195 HydrophobicContact CE1-CG1 4Å; Y167-V195 WeakPolarHBondContact OH-CA 3.3Å; L169-V195 HydrophobicContact CD2-CG1 3.9Å; L169-V195 WeakPolarHBondContact O-CG2 3.28Å; Y190-V195 HydrophobicContact CD1-CG2 3.87Å; Y190-V195 HydrophobicContact CE1-CG2 3.45Å; Y190-V195 VanDerWaalsContact CE1-CG2 3.45Å; Y190-V195 PolarHBondContact O-N 2.83Å; V191-V195 HydrophobicContact CG1-CB 4.39Å; V191-V195 PolarHBondContact O-N 3.45Å; V195-Q198 PolarHBondContact O-N 2.87Å; V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 HydrophobicContact CG1-CG 4.41Å; V195-L199 WeakPolarHBondContact O-CB 3.4Å; V195-L199 WeakPolarHBondContact O-CG 3.16Å; V195-L199 PolarHBondContact O-N 2.78Å; V195-W224 HydrophobicContact CG2-CZ3 4.24Å
196	Q	98.7	Very high	98.2	Very high	24 Å²	24	41.2 Å²	41.2	11%	0.112	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-47.2	-176.3	-63.9	-68.1	-43.6	0	0	112.3	V191 Q198 L199 H200 W224	V191-Q196 HydrophobicContact CG1-CG 4.04Å; V191-Q196 WeakPolarHBondContact O-CG 3.4Å; V191-Q196 PolarHBondContact O-N 3.1Å; Q196-Q198 PolarHBondContact O-N 3.07Å; Q196-L199 PolarHBondContact O-N 3.39Å; Q196-H200 WeakPolarHBondContact O-CB 3.34Å; Q196-H200 PolarHBondContact O-N 2.79Å; Q196-W224 PolarHBondContact NE2-O 2.77Å
197	P	98.6	Very high	98.4	Very high	41 Å²	41	40.1 Å²	40.1	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-59.4	-45.8	175.3	-25.9	36.5	0	0	0	113	E133 Q192 H200 D201	E133-P197 HydrophobicContact CG-CB 3.92Å; E133-P197 HydrophobicContact CG-CG 4.44Å; Q192-P197 VanDerWaalsContact O-CD 3.3Å; Q192-P197 WeakPolarHBondContact O-CD 3.21Å; Q192-P197 WeakPolarHBondContact O-CG 3.26Å; P197-H200 PolarHBondContact O-N 2.6Å; P197-D201 VanDerWaalsContact O-CB 3.26Å; P197-D201 WeakPolarHBondContact O-CB 3.23Å; P197-D201 PolarHBondContact O-N 3.41Å
198	Q	98.7	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-43.8	-179.8	-74.2	-177.3	-2.7	0	0	112.8	W129 S131 E133 S134 Y167 I194 V195 Q196 D201 L202	W129-Q198 HydrophobicContact CH2-CB 4.48Å; W129-Q198 HydrophobicContact CZ2-CB 4.04Å; W129-Q198 HydrophobicContact CZ2-CG 4.11Å; S131-Q198 PolarHBondContact OG-NE2 3.2Å; E133-Q198 HydrophobicContact CB-CG 3.89Å; E133-Q198 HydrophobicContact CG-CG 4.24Å; S134-Q198 PolarHBondContact OG-NE2 3.35Å; Y167-Q198 HydrophobicContact CE2-CB 3.84Å; Y167-Q198 VanDerWaalsContact CE2-OE1 3.31Å; Y167-Q198 PolarHBondContact OH-OE1 3.09Å; I194-Q198 VanDerWaalsContact O-CB 3.26Å; I194-Q198 WeakPolarHBondContact O-CB 3.48Å; I194-Q198 WeakPolarHBondContact O-CG 3.26Å; I194-Q198 PolarHBondContact O-N 2.87Å; I194-Q198 VanDerWaalsContact O-N 3.1Å; V195-Q198 PolarHBondContact O-N 2.87Å; Q196-Q198 PolarHBondContact O-N 3.07Å; Q198-D201 PolarHBondContact O-N 2.78Å; Q198-L202 WeakPolarHBondContact O-CB 3.22Å; Q198-L202 WeakPolarHBondContact O-CG 3.19Å; Q198-L202 PolarHBondContact O-N 3.49Å
199	L	98.8	Very high	98.6	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-47.9	177.1	-77.1	173.1	0	0	0	111	Y167 V195 Q196 D201 L202 I203 V211 F229	Y167-L199 HydrophobicContact CD1-CD2 3.58Å; Y167-L199 HydrophobicContact CD1-CG 4.03Å; Y167-L199 HydrophobicContact CD2-CD2 4.07Å; Y167-L199 HydrophobicContact CE1-CD1 4.47Å; Y167-L199 HydrophobicContact CE1-CD2 4.1Å; Y167-L199 HydrophobicContact CE1-CG 4.02Å; Y167-L199 HydrophobicContact CG-CD2 3.57Å; Y167-L199 HydrophobicContact CG-CG 4.34Å; V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 HydrophobicContact CG1-CG 4.41Å; V195-L199 WeakPolarHBondContact O-CB 3.4Å; V195-L199 WeakPolarHBondContact O-CG 3.16Å; V195-L199 PolarHBondContact O-N 2.78Å; Q196-L199 PolarHBondContact O-N 3.39Å; L199-D201 VanDerWaalsContact C-N 3.31Å; L199-D201 PolarHBondContact O-N 3.18Å; L199-L202 PolarHBondContact O-N 3.11Å; L199-I203 WeakPolarHBondContact O-CB 3.11Å; L199-I203 VanDerWaalsContact O-CD1 3.31Å; L199-I203 WeakPolarHBondContact O-CD1 3.24Å; L199-I203 WeakPolarHBondContact O-CG1 3.41Å; L199-I203 PolarHBondContact O-N 3.38Å; L199-V211 HydrophobicContact CD2-CG1 4.46Å; L199-F229 HydrophobicContact CB-CD2 4.22Å; L199-F229 HydrophobicContact CB-CE2 3.5Å; L199-F229 HydrophobicContact CB-CZ 3.88Å; L199-F229 HydrophobicContact CD1-CD1 4.39Å; L199-F229 HydrophobicContact CD1-CD2 4.1Å; L199-F229 HydrophobicContact CD1-CE1 4.21Å; L199-F229 HydrophobicContact CD1-CE2 3.91Å; L199-F229 HydrophobicContact CD1-CG 4.32Å; L199-F229 HydrophobicContact CD1-CZ 3.93Å; L199-F229 HydrophobicContact CD2-CZ 4.15Å; L199-F229 HydrophobicContact CG-CE2 4.22Å; L199-F229 HydrophobicContact CG-CZ 4.23Å
200	H	98.8	Very high	98.6	Very high	59 Å²	59	34.2 Å²	34.2	27%	0.273	17%	0.167	S	C	.	.	H	α-helix	trans	-61	-40.6	176.3	-72.1	-6	0	0	0	112	Q196 P197 I203 N204 F229 W232	Q196-H200 WeakPolarHBondContact O-CB 3.34Å; Q196-H200 PolarHBondContact O-N 2.79Å; P197-H200 PolarHBondContact O-N 2.6Å; H200-I203 PolarHBondContact O-N 2.81Å; H200-N204 VanDerWaalsContact O-CB 3.27Å; H200-N204 WeakPolarHBondContact O-CB 3.47Å; H200-N204 PolarHBondContact O-N 3.35Å; H200-N204 PolarHBondContact O-ND2 3.18Å; H200-F229 AromaticContact CE1-CD2 3.73Å; H200-F229 AromaticContact ND1-CD2 3.9Å; H200-F229 AromaticContact ND1-CE2 3.8Å; H200-W232 AromaticContact CE1-CD2 3.71Å; H200-W232 AromaticContact CE1-CE3 3.51Å; H200-W232 AromaticContact CE1-CZ3 3.82Å; H200-W232 AromaticContact ND1-CE3 3.58Å; H200-W232 AromaticContact ND1-CH2 3.69Å; H200-W232 AromaticContact ND1-CZ3 3.37Å; H200-W232 WeakPolarHBondContact ND1-CZ3 3.3Å
201	D	98.4	Very high	98.6	Very high	35 Å²	35	34.5 Å²	34.5	19%	0.187	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-51.3	177.4	-170	50.6	0	0	0	111.7	W129 P197 Q198 L199 I203 N204 K205	W129-D201 PolarHBondContact NE1-OD2 2.94Å; P197-D201 VanDerWaalsContact O-CB 3.26Å; P197-D201 WeakPolarHBondContact O-CB 3.23Å; P197-D201 PolarHBondContact O-N 3.41Å; Q198-D201 PolarHBondContact O-N 2.78Å; L199-D201 VanDerWaalsContact C-N 3.31Å; L199-D201 PolarHBondContact O-N 3.18Å; D201-I203 VanDerWaalsContact C-N 3.3Å; D201-I203 PolarHBondContact O-N 3.02Å; D201-N204 PolarHBondContact O-N 3.2Å; D201-K205 VanDerWaalsContact O-CB 3.29Å; D201-K205 WeakPolarHBondContact O-CB 3.28Å; D201-K205 WeakPolarHBondContact O-CG 3.24Å; D201-K205 PolarHBondContact O-N 2.99Å; D201-K205 WeakPolarHBondContact OD1-CD 3.43Å; D201-K205 WeakPolarHBondContact OD1-CE 3.43Å; D201-K205 IonicContact OD1-NZ 3.33Å; D201-K205 PolarHBondContact OD1-NZ 2.79Å; D201-K205 IonicContact OD2-NZ 2.83Å; D201-K205 PolarHBondContact OD2-NZ 2.84Å
202	L	98.5	Very high	98.7	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-56.4	-45.5	178.7	-78.8	176.6	0	0	0	112	S120 W129 L165 Y167 Q198 L199 Y206	S120-L202 VanDerWaalsContact OG-CD1 3.31Å; S120-L202 WeakPolarHBondContact OG-CD1 3.37Å; W129-L202 HydrophobicContact CD2-CD2 3.46Å; W129-L202 VanDerWaalsContact CD2-CD2 3.46Å; W129-L202 HydrophobicContact CD2-CG 4.29Å; W129-L202 HydrophobicContact CE3-CD2 3.63Å; W129-L202 HydrophobicContact CE3-CG 4.45Å; W129-L202 HydrophobicContact CG-CD2 4.03Å; W129-L202 HydrophobicContact CH2-CD1 3.62Å; W129-L202 HydrophobicContact CH2-CD2 3.97Å; W129-L202 HydrophobicContact CH2-CG 3.88Å; W129-L202 HydrophobicContact CZ2-CD1 3.91Å; W129-L202 HydrophobicContact CZ2-CD2 3.79Å; W129-L202 HydrophobicContact CZ2-CG 3.65Å; W129-L202 HydrophobicContact CZ3-CD1 3.96Å; W129-L202 HydrophobicContact CZ3-CD2 3.87Å; W129-L202 HydrophobicContact CZ3-CG 4.24Å; L165-L202 HydrophobicContact CD1-CB 4.2Å; L165-L202 HydrophobicContact CD1-CD1 4.43Å; L165-L202 HydrophobicContact CD1-CD2 3.79Å; L165-L202 HydrophobicContact CD1-CG 4.37Å; Y167-L202 HydrophobicContact CD2-CD1 3.73Å; Y167-L202 HydrophobicContact CE2-CD1 4.33Å; Q198-L202 WeakPolarHBondContact O-CB 3.22Å; Q198-L202 WeakPolarHBondContact O-CG 3.19Å; Q198-L202 PolarHBondContact O-N 3.49Å; L199-L202 PolarHBondContact O-N 3.11Å; L202-Y206 HydrophobicContact CD2-CD2 3.71Å; L202-Y206 HydrophobicContact CD2-CE2 3.89Å; L202-Y206 WeakPolarHBondContact O-CA 3.37Å; L202-Y206 WeakPolarHBondContact O-CB 3.1Å; L202-Y206 PolarHBondContact O-N 3.22Å
203	I	98.9	Very high	98.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-71.2	-45	-176.2	-71.5	157.4	0	0	0	111.3	L199 H200 D201 K207 P208 V211 F229 W232 L233 P238 V239	L199-I203 WeakPolarHBondContact O-CB 3.11Å; L199-I203 VanDerWaalsContact O-CD1 3.31Å; L199-I203 WeakPolarHBondContact O-CD1 3.24Å; L199-I203 WeakPolarHBondContact O-CG1 3.41Å; L199-I203 PolarHBondContact O-N 3.38Å; H200-I203 PolarHBondContact O-N 2.81Å; D201-I203 VanDerWaalsContact C-N 3.3Å; D201-I203 PolarHBondContact O-N 3.02Å; I203-K207 VanDerWaalsContact O-CA 3.27Å; I203-K207 WeakPolarHBondContact O-CA 3.31Å; I203-K207 PolarHBondContact O-N 3.17Å; I203-P208 HydrophobicContact CG1-CG 4.16Å; I203-V211 HydrophobicContact CD1-CG2 4.05Å; I203-V211 HydrophobicContact CG1-CG2 4.08Å; I203-F229 HydrophobicContact CD1-CE2 3.75Å; I203-F229 HydrophobicContact CD1-CZ 3.36Å; I203-W232 HydrophobicContact CB-CH2 4.08Å; I203-W232 HydrophobicContact CB-CZ3 4.29Å; I203-W232 HydrophobicContact CD1-CZ3 3.93Å; I203-W232 HydrophobicContact CG2-CH2 3.7Å; I203-W232 HydrophobicContact CG2-CZ3 4.01Å; I203-L233 HydrophobicContact CD1-CD1 3.9Å; I203-L233 HydrophobicContact CG1-CD1 4.47Å; I203-L233 HydrophobicContact CG2-CD1 4.15Å; I203-P238 HydrophobicContact CG2-CG 4.41Å; I203-V239 HydrophobicContact CG2-CG2 3.92Å
204	N	98.8	Very high	98.6	Very high	75 Å²	75	25.2 Å²	25.2	40%	0.401	12%	0.122	S	C	.	.	H	α-helix	trans	-69.5	-41.8	-178.6	-74.4	-55.3	0	0	0	112.1	H200 D201 K207	H200-N204 VanDerWaalsContact O-CB 3.27Å; H200-N204 WeakPolarHBondContact O-CB 3.47Å; H200-N204 PolarHBondContact O-N 3.35Å; H200-N204 PolarHBondContact O-ND2 3.18Å; D201-N204 PolarHBondContact O-N 3.2Å; N204-K207 PolarHBondContact O-NZ 2.84Å
205	K	98.5	Very high	98.6	Very high	107 Å²	107	24.6 Å²	24.6	47%	0.465	12%	0.119	S	C	.	.	H	α-helix	trans	-74.4	-57.7	179.2	-71.3	178.5	176.6	156.1	0	111.7	D201	D201-K205 VanDerWaalsContact O-CB 3.29Å; D201-K205 WeakPolarHBondContact O-CB 3.28Å; D201-K205 WeakPolarHBondContact O-CG 3.24Å; D201-K205 PolarHBondContact O-N 2.99Å; D201-K205 WeakPolarHBondContact OD1-CD 3.43Å; D201-K205 WeakPolarHBondContact OD1-CE 3.43Å; D201-K205 IonicContact OD1-NZ 3.33Å; D201-K205 PolarHBondContact OD1-NZ 2.79Å; D201-K205 IonicContact OD2-NZ 2.83Å; D201-K205 PolarHBondContact OD2-NZ 2.84Å
206	Y	98.8	Very high	98.5	Very high	18 Å²	18	25.1 Å²	25.1	7%	0.071	12%	0.122	C	C	.	.	H	α-helix	trans	-95.9	-12.9	-166.2	-54.7	-69.9	0	0	0	114.4	W129 D147 V149 G150 R157 L202	W129-Y206 HydrophobicContact CB-CE2 4.01Å; W129-Y206 WeakPolarHBondContact CB-OH 3.35Å; W129-Y206 AromaticContact CD1-CE2 3.88Å; W129-Y206 AromaticContact CG-CE2 3.98Å; W129-Y206 HydrophobicContact CG-CE2 3.98Å; D147-Y206 PolarHBondContact OD1-OH 3.28Å; D147-Y206 WeakPolarHBondContact OD2-CE1 3.28Å; D147-Y206 PolarHBondContact OD2-OH 2.94Å; V149-Y206 HydrophobicContact CB-CD1 4.5Å; V149-Y206 HydrophobicContact CB-CE1 4.3Å; V149-Y206 HydrophobicContact CB-CE2 4.36Å; V149-Y206 HydrophobicContact CG1-CD1 3.68Å; V149-Y206 HydrophobicContact CG1-CD2 3.57Å; V149-Y206 HydrophobicContact CG1-CE1 3.95Å; V149-Y206 HydrophobicContact CG1-CE2 3.87Å; V149-Y206 HydrophobicContact CG1-CG 3.49Å; V149-Y206 VanDerWaalsContact CG1-CG 3.49Å; G150-Y206 VanDerWaalsContact CA-CE1 3.45Å; R157-Y206 PolarHBondContact NH1-O 3.05Å; R157-Y206 VanDerWaalsContact NH1-O 3.17Å; R157-Y206 PolarHBondContact NH2-O 3.29Å; L202-Y206 HydrophobicContact CD2-CD2 3.71Å; L202-Y206 HydrophobicContact CD2-CE2 3.89Å; L202-Y206 WeakPolarHBondContact O-CA 3.37Å; L202-Y206 WeakPolarHBondContact O-CB 3.1Å; L202-Y206 PolarHBondContact O-N 3.22Å
207	K	98.8	Very high	98.1	Very high	96 Å²	96	29.5 Å²	29.5	42%	0.417	14%	0.137	S	C	.	.			trans	51.2	52.8	174.5	-61.5	171.7	178.8	52.2	0	113.5	R157 I203 N204 P238 V239	R157-K207 PolarHBondContact NH2-O 2.63Å; I203-K207 VanDerWaalsContact O-CA 3.27Å; I203-K207 WeakPolarHBondContact O-CA 3.31Å; I203-K207 PolarHBondContact O-N 3.17Å; N204-K207 PolarHBondContact O-NZ 2.84Å; K207-P238 HydrophobicContact CD-CB 4.49Å; K207-P238 HydrophobicContact CG-CB 4.29Å; K207-P238 HydrophobicContact CG-CG 4.11Å; K207-V239 HydrophobicContact CB-CG1 3.63Å; K207-V239 HydrophobicContact CG-CG1 4.28Å
208	P	98.8	Very high	97.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.152	C	C	.	.			trans	-67.2	141.9	177.7	33.8	-35.8	0	0	0	110.9	F163 L165 I203 V211	F163-P208 HydrophobicContact CD1-CB 4.47Å; F163-P208 CarbonylContact O-C 3.36Å; F163-P208 WeakPolarHBondContact O-CA 3.31Å; L165-P208 HydrophobicContact CB-CB 4.12Å; L165-P208 HydrophobicContact CB-CG 4.41Å; L165-P208 HydrophobicContact CD1-CB 4.17Å; L165-P208 HydrophobicContact CD1-CG 4.12Å; L165-P208 HydrophobicContact CG-CB 3.93Å; L165-P208 HydrophobicContact CG-CG 4.36Å; I203-P208 HydrophobicContact CG1-CG 4.16Å; P208-V211 HydrophobicContact CG-CG2 4.05Å
209	E	98.7	Very high	97.6	Very high	30 Å²	30	31 Å²	31	14%	0.14	16%	0.157	C	C	.	.	S	Bend	trans	-92.7	-2.5	175.5	-54.2	-167.5	98	0	0	112	W34 R162 F163 T242 V243 V244	W34-E209 HydrophobicContact CZ2-CB 4.02Å; W34-E209 WeakPolarHBondContact CZ2-O 3.19Å; R162-E209 WeakPolarHBondContact CB-OE2 3.37Å; R162-E209 VanDerWaalsContact CG-OE2 3.22Å; R162-E209 WeakPolarHBondContact CG-OE2 3.05Å; R162-E209 IonicContact CZ-OE1 2.83Å; R162-E209 IonicContact CZ-OE2 2.78Å; R162-E209 IonicContact NH1-OE1 3.42Å; R162-E209 PolarHBondContact NH1-OE1 3.45Å; R162-E209 IonicContact NH1-OE2 3.79Å; R162-E209 PolarHBondContact NH1-OE2 3.12Å; F163-E209 PolarHBondContact O-N 2.9Å; E209-T242 WeakPolarHBondContact OE1-CB 3.49Å; E209-T242 PolarHBondContact OE1-OG1 2.68Å; E209-V243 CarbonylContact O-C 3.52Å; E209-V243 VanDerWaalsContact O-CA 3.28Å; E209-V243 WeakPolarHBondContact O-CA 3.25Å; E209-V244 PolarHBondContact O-N 3.11Å
210	I	98.9	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.3	167.9	-52.6	174.5	0	0	0	106.8	W34 F35 Y115 V117 G164 L165 W212 V244 F260	W34-I210 HydrophobicContact CH2-CD1 3.91Å; W34-I210 HydrophobicContact CH2-CG1 3.7Å; W34-I210 HydrophobicContact CZ2-CG1 4.29Å; F35-I210 HydrophobicContact CE2-CD1 4.38Å; Y115-I210 HydrophobicContact CD2-CD1 3.16Å; Y115-I210 HydrophobicContact CE2-CD1 3.71Å; Y115-I210 HydrophobicContact CG-CD1 3.87Å; V117-I210 HydrophobicContact CG2-CB 4.39Å; V117-I210 HydrophobicContact CG2-CD1 3.8Å; V117-I210 HydrophobicContact CG2-CG2 4.25Å; G164-I210 CarbonylContact C-O 3.4Å; G164-I210 WeakPolarHBondContact CA-O 3.31Å; L165-I210 PolarHBondContact N-O 3.47Å; I210-W212 HydrophobicContact CG2-CB 4.3Å; I210-V244 WeakPolarHBondContact CA-O 3.49Å; I210-V244 HydrophobicContact CB-CG2 4.19Å; I210-V244 HydrophobicContact CG1-CG2 3.69Å; I210-V244 HydrophobicContact CG2-CG2 4.16Å; I210-F260 HydrophobicContact CG2-CZ 4.46Å
211	V	98.8	Very high	97.5	Very high	5 Å²	5	32 Å²	32	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	101	167.1	-178.3	0	0	0	0	106.8	L165 L199 I203 P208 L233 V243 V244 T245 W249	L165-V211 WeakPolarHBondContact O-CA 3.4Å; L199-V211 HydrophobicContact CD2-CG1 4.46Å; I203-V211 HydrophobicContact CD1-CG2 4.05Å; I203-V211 HydrophobicContact CG1-CG2 4.08Å; P208-V211 HydrophobicContact CG-CG2 4.05Å; V211-L233 HydrophobicContact CG2-CD2 4.35Å; V211-V243 HydrophobicContact CG2-CG2 3.87Å; V211-V244 PolarHBondContact N-O 2.81Å; V211-T245 HydrophobicContact CB-CG2 4.12Å; V211-T245 WeakPolarHBondContact O-CA 3.37Å; V211-W249 HydrophobicContact CG1-CH2 3.84Å; V211-W249 HydrophobicContact CG1-CZ2 4.11Å
212	W	98.7	Very high	97.5	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.011	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	106.5	-177.2	-155.7	106.4	0	0	0	108.4	F43 V117 L165 Y166 Y167 I210 D214 N246 T262 E278 C280	F43-W212 HydrophobicContact CE1-CZ2 4.29Å; F43-W212 HydrophobicContact CZ-CD2 4.41Å; V117-W212 HydrophobicContact CG1-CB 4.17Å; L165-W212 PolarHBondContact O-N 3.1Å; Y166-W212 CarbonylContact C-O 3.51Å; Y166-W212 WeakPolarHBondContact CA-O 3.45Å; Y166-W212 AromaticContact CD2-CD2 4Å; Y166-W212 HydrophobicContact CD2-CD2 4Å; Y166-W212 AromaticContact CD2-CE3 3.15Å; Y166-W212 HydrophobicContact CD2-CE3 3.15Å; Y166-W212 AromaticContact CD2-CZ3 3.51Å; Y166-W212 HydrophobicContact CD2-CZ3 3.51Å; Y166-W212 AromaticContact CE2-CE3 3.51Å; Y166-W212 HydrophobicContact CE2-CE3 3.51Å; Y166-W212 HydrophobicContact CE2-CH2 4.36Å; Y166-W212 AromaticContact CE2-CZ3 3.33Å; Y166-W212 HydrophobicContact CE2-CZ3 3.33Å; Y166-W212 HydrophobicContact CG-CE3 4.28Å; Y167-W212 PolarHBondContact N-O 2.88Å; I210-W212 HydrophobicContact CG2-CB 4.3Å; W212-D214 HydrophobicContact CE3-CB 4.18Å; W212-D214 HydrophobicContact CZ3-CB 3.64Å; W212-N246 HydrophobicContact CG-CB 4.49Å; W212-T262 HydrophobicContact CZ2-CG2 3.97Å; W212-E278 PolarHBondContact NE1-OE2 3.36Å; W212-C280 HydrophobicContact CZ2-CB 4.36Å
213	S	98.5	Very high	97.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	151	179.9	178.1	0	0	0	0	111	L169 N246 R248	L169-S213 WeakPolarHBondContact CD1-OG 3.43Å; L169-S213 WeakPolarHBondContact CG-OG 3.44Å; S213-N246 PolarHBondContact N-OD1 3.02Å; S213-N246 PolarHBondContact O-ND2 2.92Å; S213-R248 VanDerWaalsContact CB-O 3.24Å; S213-R248 WeakPolarHBondContact CB-O 3.3Å; S213-R248 VanDerWaalsContact O-CB 3.3Å; S213-R248 WeakPolarHBondContact O-CB 3.31Å; S213-R248 PolarHBondContact OG-O 2.66Å
214	D	98.1	Very high	97.4	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.059	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	177	172.4	-152.2	8.1	0	0	0	110.9	H123 Y166 Y167 L169 W212 D216 W217 R248	H123-D214 IonicContact CE1-OD2 2.81Å; H123-D214 IonicContact NE2-OD2 3.74Å; Y166-D214 HydrophobicContact CD2-CB 4.32Å; Y166-D214 HydrophobicContact CE1-CB 4.42Å; Y166-D214 HydrophobicContact CE2-CB 3.37Å; Y166-D214 VanDerWaalsContact CE2-OD2 3.31Å; Y166-D214 WeakPolarHBondContact CE2-OD2 3.34Å; Y166-D214 VanDerWaalsContact CZ-CB 3.4Å; Y166-D214 WeakPolarHBondContact OH-CB 3.38Å; Y166-D214 PolarHBondContact OH-OD2 3.18Å; Y167-D214 PolarHBondContact O-N 3.35Å; Y167-D214 VanDerWaalsContact O-N 3.08Å; L169-D214 VanDerWaalsContact CB-O 3.29Å; L169-D214 WeakPolarHBondContact CB-O 3.28Å; L169-D214 WeakPolarHBondContact CG-O 3.48Å; L169-D214 PolarHBondContact N-O 3.34Å; W212-D214 HydrophobicContact CE3-CB 4.18Å; W212-D214 HydrophobicContact CZ3-CB 3.64Å; D214-D216 PolarHBondContact O-N 2.93Å; D214-W217 WeakPolarHBondContact OD1-CZ2 3.34Å; D214-R248 WeakPolarHBondContact OD1-CD 2.98Å; D214-R248 IonicContact OD1-CZ 3.55Å; D214-R248 IonicContact OD1-NH1 2.79Å; D214-R248 PolarHBondContact OD1-NH1 3.36Å; D214-R248 IonicContact OD2-NH1 2.9Å
215	G	97.1	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.			trans	73	21.5	174.6	0	0	0	0	0	113.1	L170 W217 W224	L170-G215 WeakPolarHBondContact CB-O 3.33Å; L170-G215 WeakPolarHBondContact CD2-O 3.24Å; G215-W217 VanDerWaalsContact CA-CZ3 3.5Å; G215-W217 PolarHBondContact O-N 3.02Å; G215-W224 WeakPolarHBondContact O-CZ2 3.37Å
216	D	96.3	Very high	97.4	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.053	16%	0.161	C	C	.	.			trans	-77.6	-10.4	176.8	66.9	-56.1	0	0	0	113.1	L169 D214 G218 L219 G250	L169-D216 HydrophobicContact CD1-CB 3.93Å; D214-D216 PolarHBondContact O-N 2.93Å; D216-G218 PolarHBondContact O-N 3.48Å; D216-L219 PolarHBondContact O-N 3.47Å; D216-L219 VanDerWaalsContact O-N 3.14Å; D216-G250 PolarHBondContact OD2-N 2.83Å
217	W	91.7	Very high	97.4	Very high	116 Å²	116	29.4 Å²	29.4	44%	0.439	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	127.1	-168.6	-53.9	-64.1	0	0	0	113.5	W60 H123 L170 D214 G215 L219	W60-W217 HydrophobicContact CH2-CH2 4.4Å; W60-W217 AromaticContact CH2-CZ3 3.94Å; W60-W217 HydrophobicContact CH2-CZ3 3.94Å; W60-W217 AromaticContact CZ2-CH2 3.95Å; W60-W217 HydrophobicContact CZ2-CH2 3.95Å; W60-W217 AromaticContact CZ2-CZ3 3.94Å; W60-W217 HydrophobicContact CZ2-CZ3 3.94Å; H123-W217 AromaticContact CE1-CH2 3.43Å; H123-W217 VanDerWaalsContact CE1-CH2 3.43Å; H123-W217 WeakPolarHBondContact CE1-CH2 3.46Å; H123-W217 AromaticContact CE1-CZ3 3.35Å; H123-W217 WeakPolarHBondContact CE1-CZ3 3.31Å; H123-W217 AromaticContact NE2-CH2 3.23Å; H123-W217 WeakPolarHBondContact NE2-CH2 3.37Å; H123-W217 AromaticContact NE2-CZ3 3.37Å; H123-W217 WeakPolarHBondContact NE2-CZ3 2.99Å; L170-W217 HydrophobicContact CD2-CE3 3.93Å; L170-W217 HydrophobicContact CD2-CZ3 4.29Å; D214-W217 WeakPolarHBondContact OD1-CZ2 3.34Å; G215-W217 VanDerWaalsContact CA-CZ3 3.5Å; G215-W217 PolarHBondContact O-N 3.02Å; W217-L219 VanDerWaalsContact C-N 3.26Å; W217-L219 PolarHBondContact O-N 3.21Å
218	G	90.1	Very high	97.3	Very high	56 Å²	56	29.4 Å²	29.4	58%	0.577	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	-14	174.5	0	0	0	0	0	115.5	D216	D216-G218 PolarHBondContact O-N 3.48Å
219	L	96.9	Very high	97.3	Very high	18 Å²	18	29.4 Å²	29.4	9%	0.094	17%	0.165	C	C	.	.	S	Bend	trans	-119.5	138.8	-173	-57.7	-179.4	0	0	0	111.9	F177 F185 D216 W217 Y223 W224 G250 K251	F177-L219 HydrophobicContact CE2-CD1 3.73Å; F177-L219 HydrophobicContact CZ-CD1 4.03Å; F185-L219 HydrophobicContact CB-CD2 4.44Å; F185-L219 HydrophobicContact CD1-CD1 3.87Å; F185-L219 HydrophobicContact CD1-CD2 3.83Å; F185-L219 HydrophobicContact CD2-CD2 3.41Å; F185-L219 VanDerWaalsContact CD2-CD2 3.41Å; F185-L219 HydrophobicContact CE1-CD1 3.51Å; F185-L219 HydrophobicContact CE1-CD2 3.83Å; F185-L219 HydrophobicContact CE1-CG 4.35Å; F185-L219 HydrophobicContact CE2-CD2 3.43Å; F185-L219 VanDerWaalsContact CE2-CD2 3.43Å; F185-L219 HydrophobicContact CG-CD1 4.49Å; F185-L219 HydrophobicContact CG-CD2 3.62Å; F185-L219 HydrophobicContact CZ-CD1 3.88Å; F185-L219 HydrophobicContact CZ-CD2 3.62Å; F185-L219 HydrophobicContact CZ-CG 4.35Å; D216-L219 PolarHBondContact O-N 3.47Å; D216-L219 VanDerWaalsContact O-N 3.14Å; W217-L219 VanDerWaalsContact C-N 3.26Å; W217-L219 PolarHBondContact O-N 3.21Å; L219-Y223 HydrophobicContact CB-CD1 3.88Å; L219-Y223 HydrophobicContact CB-CG 4.49Å; L219-Y223 HydrophobicContact CD1-CD1 3.72Å; L219-Y223 HydrophobicContact CD1-CE1 3.52Å; L219-Y223 HydrophobicContact CG-CD1 4.32Å; L219-W224 HydrophobicContact CB-CZ2 4.12Å; L219-W224 HydrophobicContact CD1-CH2 4.11Å; L219-W224 HydrophobicContact CD1-CZ2 3.61Å; L219-W224 HydrophobicContact CG-CZ2 4.36Å; L219-G250 CarbonylContact O-C 3.3Å; L219-G250 WeakPolarHBondContact O-CA 3.5Å; L219-K251 WeakPolarHBondContact O-CB 3.49Å; L219-K251 PolarHBondContact O-N 3.33Å
220	S	97.3	Very high	97.3	Very high	51 Å²	51	28 Å²	28	36%	0.357	16%	0.159	S	C	.	.			trans	-71.5	158.7	-174.8	62.5	0	0	0	0	113.1	T222 Y223 W224	S220-T222 PolarHBondContact O-N 2.71Å; S220-Y223 WeakPolarHBondContact O-CB 3.41Å; S220-Y223 PolarHBondContact O-N 3.48Å; S220-Y223 PolarHBondContact OG-N 2.84Å; S220-W224 PolarHBondContact O-N 3.44Å
221	D	97.1	Very high	97.3	Very high	32 Å²	32	28.2 Å²	28.2	17%	0.171	16%	0.161	C	C	.	.	H	α-helix	trans	-58	-26.2	170.5	59.1	94.7	0	0	0	112.7	W23 N225 S226 W249 T253	W23-D221 HydrophobicContact CZ2-CB 3.74Å; D221-N225 WeakPolarHBondContact O-CA 3.42Å; D221-N225 PolarHBondContact O-N 2.93Å; D221-S226 PolarHBondContact O-N 2.74Å; D221-W249 WeakPolarHBondContact CA-O 3.29Å; D221-T253 HydrophobicContact CB-CG2 4.26Å
222	T	97.7	Very high	97.3	Very high	96 Å²	96	30.3 Å²	30.3	59%	0.589	17%	0.168	S	C	*	.	H	α-helix	trans	-67.9	-41.9	173.1	-54.4	0	0	0	0	112	Q188 S220 N225	Q188-T222 PolarHBondContact NE2-O 2.82Å; S220-T222 PolarHBondContact O-N 2.71Å; T222-N225 PolarHBondContact O-N 2.97Å
223	Y	98.2	Very high	97.3	Very high	9 Å²	9	30.2 Å²	30.2	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-46.9	175.4	169.5	-100.9	0	0	0	110.8	F177 D180 F185 T187 Q188 V191 L219 S220 N225	F177-Y223 HydrophobicContact CE2-CE1 4.49Å; D180-Y223 HydrophobicContact CB-CE2 4.16Å; D180-Y223 PolarHBondContact OD2-OH 2.88Å; F185-Y223 HydrophobicContact CB-CD2 3.83Å; F185-Y223 HydrophobicContact CB-CE2 4.01Å; F185-Y223 HydrophobicContact CB-CG 4.49Å; F185-Y223 HydrophobicContact CD1-CD2 4.16Å; F185-Y223 HydrophobicContact CD1-CE1 4.2Å; F185-Y223 AromaticContact CD1-CE2 3.63Å; F185-Y223 HydrophobicContact CD1-CE2 3.63Å; F185-Y223 AromaticContact CD1-CZ 3.64Å; F185-Y223 HydrophobicContact CG-CD2 4.44Å; F185-Y223 HydrophobicContact CG-CE2 4.3Å; T187-Y223 WeakPolarHBondContact O-CE2 3.41Å; Q188-Y223 VanDerWaalsContact CD-O 3.31Å; Q188-Y223 HydrophobicContact CG-CD2 3.87Å; Q188-Y223 HydrophobicContact CG-CE2 4.2Å; Q188-Y223 PolarHBondContact NE2-O 3.39Å; V191-Y223 HydrophobicContact CG2-CD1 4.18Å; V191-Y223 HydrophobicContact CG2-CE1 3.69Å; V191-Y223 HydrophobicContact CG2-CE2 4.22Å; V191-Y223 WeakPolarHBondContact CG2-O 3.48Å; L219-Y223 HydrophobicContact CB-CD1 3.88Å; L219-Y223 HydrophobicContact CB-CG 4.49Å; L219-Y223 HydrophobicContact CD1-CD1 3.72Å; L219-Y223 HydrophobicContact CD1-CE1 3.52Å; L219-Y223 HydrophobicContact CG-CD1 4.32Å; S220-Y223 WeakPolarHBondContact O-CB 3.41Å; S220-Y223 PolarHBondContact O-N 3.48Å; S220-Y223 PolarHBondContact OG-N 2.84Å; Y223-N225 PolarHBondContact O-N 3.13Å
224	W	98	Very high	97.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-72	-11.3	179.4	-63.7	123.7	0	0	0	114.5	L169 L170 F177 Y190 V191 V195 Q196 G215 L219 S220 S226	L169-W224 HydrophobicContact CB-CD2 4.04Å; L169-W224 HydrophobicContact CB-CE3 3.9Å; L169-W224 HydrophobicContact CB-CH2 3.89Å; L169-W224 HydrophobicContact CB-CZ2 4Å; L169-W224 HydrophobicContact CB-CZ3 3.84Å; L169-W224 HydrophobicContact CD1-CB 4.43Å; L169-W224 HydrophobicContact CD1-CD2 3.95Å; L169-W224 HydrophobicContact CD1-CE3 4.5Å; L169-W224 HydrophobicContact CD1-CG 3.9Å; L169-W224 HydrophobicContact CG-CD2 4.49Å; L169-W224 WeakPolarHBondContact O-CZ3 3.48Å; L170-W224 HydrophobicContact CB-CH2 3.89Å; L170-W224 HydrophobicContact CB-CZ2 4.34Å; F177-W224 HydrophobicContact CD2-CH2 4.46Å; F177-W224 AromaticContact CE2-CH2 3.89Å; F177-W224 HydrophobicContact CE2-CH2 3.89Å; Y190-W224 HydrophobicContact CD1-CZ3 4.12Å; Y190-W224 HydrophobicContact CE1-CH2 4.41Å; Y190-W224 AromaticContact CE1-CZ3 3.95Å; Y190-W224 HydrophobicContact CE1-CZ3 3.95Å; V191-W224 WeakPolarHBondContact CG1-O 3.26Å; V191-W224 HydrophobicContact CG2-CE3 3.68Å; V191-W224 HydrophobicContact CG2-CZ3 4.01Å; V195-W224 HydrophobicContact CG2-CZ3 4.24Å; Q196-W224 PolarHBondContact NE2-O 2.77Å; G215-W224 WeakPolarHBondContact O-CZ2 3.37Å; L219-W224 HydrophobicContact CB-CZ2 4.12Å; L219-W224 HydrophobicContact CD1-CH2 4.11Å; L219-W224 HydrophobicContact CD1-CZ2 3.61Å; L219-W224 HydrophobicContact CG-CZ2 4.36Å; S220-W224 PolarHBondContact O-N 3.44Å; W224-S226 VanDerWaalsContact CB-OG 3.24Å; W224-S226 WeakPolarHBondContact CB-OG 3.48Å; W224-S226 PolarHBondContact O-N 3.11Å
225	N	97.8	Very high	97.3	Very high	57 Å²	57	31.3 Å²	31.3	31%	0.305	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	36.7	-172.2	-164.8	33.3	0	0	0	112.4	V191 D221 T222 Y223 Q228 F229	V191-N225 HydrophobicContact CG1-CB 4.32Å; D221-N225 WeakPolarHBondContact O-CA 3.42Å; D221-N225 PolarHBondContact O-N 2.93Å; T222-N225 PolarHBondContact O-N 2.97Å; Y223-N225 PolarHBondContact O-N 3.13Å; N225-Q228 PolarHBondContact O-N 3.5Å; N225-Q228 WeakPolarHBondContact OD1-CB 3.44Å; N225-F229 PolarHBondContact O-N 3.34Å; N225-F229 VanDerWaalsContact O-N 3.15Å
226	S	98.5	Very high	97.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-67.5	-43	-168.6	-63.5	0	0	0	0	113	D221 W224 Q228 F229 L230 W249	D221-S226 PolarHBondContact O-N 2.74Å; W224-S226 VanDerWaalsContact CB-OG 3.24Å; W224-S226 WeakPolarHBondContact CB-OG 3.48Å; W224-S226 PolarHBondContact O-N 3.11Å; S226-Q228 VanDerWaalsContact C-N 3.32Å; S226-Q228 PolarHBondContact O-N 3.41Å; S226-F229 PolarHBondContact O-N 2.65Å; S226-L230 WeakPolarHBondContact O-CB 3.32Å; S226-L230 VanDerWaalsContact O-CG 3.29Å; S226-L230 WeakPolarHBondContact O-CG 3.24Å; S226-L230 PolarHBondContact O-N 2.85Å; S226-W249 VanDerWaalsContact CB-O 3.32Å; S226-W249 WeakPolarHBondContact CB-O 3.32Å; S226-W249 PolarHBondContact OG-O 2.81Å
227	T	98.5	Very high	97.4	Very high	22 Å²	22	35.3 Å²	35.3	14%	0.135	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-36.8	-178.2	57.3	0	0	0	0	112.1	P21 W23 L26 A231	P21-T227 WeakPolarHBondContact O-CB 3.48Å; P21-T227 PolarHBondContact O-OG1 2.94Å; W23-T227 HydrophobicContact CD2-CG2 3.97Å; W23-T227 HydrophobicContact CE3-CG2 4.46Å; W23-T227 HydrophobicContact CG-CG2 4.44Å; W23-T227 HydrophobicContact CH2-CG2 4.3Å; W23-T227 HydrophobicContact CZ2-CG2 3.79Å; L26-T227 HydrophobicContact CD1-CG2 4.08Å; T227-A231 VanDerWaalsContact O-CB 3.31Å; T227-A231 WeakPolarHBondContact O-CB 3.32Å; T227-A231 PolarHBondContact O-N 3.27Å
228	Q	98.5	Very high	97.7	Very high	95 Å²	95	32.9 Å²	32.9	44%	0.444	19%	0.194	S	C	.	.	H	α-helix	trans	-66.6	-43.2	174.8	-173	61.2	48.4	0	0	111.5	N225 S226 A231 W232	N225-Q228 PolarHBondContact O-N 3.5Å; N225-Q228 WeakPolarHBondContact OD1-CB 3.44Å; S226-Q228 VanDerWaalsContact C-N 3.32Å; S226-Q228 PolarHBondContact O-N 3.41Å; Q228-A231 PolarHBondContact O-N 2.98Å; Q228-W232 PolarHBondContact O-N 3.24Å; Q228-W232 VanDerWaalsContact O-N 3.07Å
229	F	98.7	Very high	98.1	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-47.2	175.6	169.2	-97.4	0	0	0	111.9	L199 H200 I203 N225 S226 A231 W232 L233 W249	L199-F229 HydrophobicContact CB-CD2 4.22Å; L199-F229 HydrophobicContact CB-CE2 3.5Å; L199-F229 HydrophobicContact CB-CZ 3.88Å; L199-F229 HydrophobicContact CD1-CD1 4.39Å; L199-F229 HydrophobicContact CD1-CD2 4.1Å; L199-F229 HydrophobicContact CD1-CE1 4.21Å; L199-F229 HydrophobicContact CD1-CE2 3.91Å; L199-F229 HydrophobicContact CD1-CG 4.32Å; L199-F229 HydrophobicContact CD1-CZ 3.93Å; L199-F229 HydrophobicContact CD2-CZ 4.15Å; L199-F229 HydrophobicContact CG-CE2 4.22Å; L199-F229 HydrophobicContact CG-CZ 4.23Å; H200-F229 AromaticContact CE1-CD2 3.73Å; H200-F229 AromaticContact ND1-CD2 3.9Å; H200-F229 AromaticContact ND1-CE2 3.8Å; I203-F229 HydrophobicContact CD1-CE2 3.75Å; I203-F229 HydrophobicContact CD1-CZ 3.36Å; N225-F229 PolarHBondContact O-N 3.34Å; N225-F229 VanDerWaalsContact O-N 3.15Å; S226-F229 PolarHBondContact O-N 2.65Å; F229-A231 PolarHBondContact O-N 3.17Å; F229-W232 HydrophobicContact CD2-CE3 4.24Å; F229-W232 HydrophobicContact CE2-CE3 4.06Å; F229-W232 AromaticContact CE2-CZ3 3.95Å; F229-W232 HydrophobicContact CE2-CZ3 3.95Å; F229-W232 WeakPolarHBondContact O-CB 3.39Å; F229-W232 PolarHBondContact O-N 2.96Å; F229-L233 HydrophobicContact CE1-CD2 4.23Å; F229-L233 WeakPolarHBondContact O-CB 3.22Å; F229-L233 PolarHBondContact O-N 2.94Å; F229-W249 HydrophobicContact CD1-CE3 4.44Å; F229-W249 AromaticContact CD1-CH2 3.86Å; F229-W249 HydrophobicContact CD1-CH2 3.86Å; F229-W249 AromaticContact CD1-CZ3 3.63Å; F229-W249 HydrophobicContact CD1-CZ3 3.63Å; F229-W249 AromaticContact CE1-CH2 3.4Å; F229-W249 HydrophobicContact CE1-CH2 3.4Å; F229-W249 HydrophobicContact CE1-CZ2 4.34Å; F229-W249 AromaticContact CE1-CZ3 3.64Å; F229-W249 HydrophobicContact CE1-CZ3 3.64Å; F229-W249 HydrophobicContact CZ-CH2 4.41Å
230	L	98.7	Very high	98.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-39.2	178.6	-71.2	172.9	0	0	0	111.9	W23 L26 S226 W232 L233 Y234 T245 W249	W23-L230 HydrophobicContact CH2-CD1 3.8Å; W23-L230 HydrophobicContact CZ3-CD1 3.67Å; L26-L230 HydrophobicContact CD1-CB 3.86Å; L26-L230 HydrophobicContact CD1-CD1 4.22Å; L26-L230 HydrophobicContact CD2-CB 4.02Å; S226-L230 WeakPolarHBondContact O-CB 3.32Å; S226-L230 VanDerWaalsContact O-CG 3.29Å; S226-L230 WeakPolarHBondContact O-CG 3.24Å; S226-L230 PolarHBondContact O-N 2.85Å; L230-W232 PolarHBondContact O-N 2.84Å; L230-L233 HydrophobicContact CD2-CD2 4.21Å; L230-L233 WeakPolarHBondContact O-CB 3.24Å; L230-L233 PolarHBondContact O-N 2.81Å; L230-Y234 HydrophobicContact CB-CE2 4.47Å; L230-Y234 WeakPolarHBondContact O-CD2 3.41Å; L230-Y234 VanDerWaalsContact O-CG 3.3Å; L230-Y234 PolarHBondContact O-N 2.61Å; L230-T245 HydrophobicContact CD2-CG2 3.8Å; L230-W249 HydrophobicContact CD1-CD2 4.23Å; L230-W249 HydrophobicContact CD1-CG 4.12Å; L230-W249 HydrophobicContact CD2-CD2 4.28Å; L230-W249 HydrophobicContact CD2-CH2 4.39Å; L230-W249 HydrophobicContact CD2-CZ2 3.93Å; L230-W249 HydrophobicContact CG-CD2 4.43Å
231	A	98.5	Very high	98.1	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-43.9	173.9	0	0	0	0	0	111.5	P21 L26 T227 Q228 F229 N235	P21-A231 HydrophobicContact CB-CB 4.04Å; L26-A231 HydrophobicContact CD2-CB 4.17Å; T227-A231 VanDerWaalsContact O-CB 3.31Å; T227-A231 WeakPolarHBondContact O-CB 3.32Å; T227-A231 PolarHBondContact O-N 3.27Å; Q228-A231 PolarHBondContact O-N 2.98Å; F229-A231 PolarHBondContact O-N 3.17Å; A231-N235 VanDerWaalsContact O-CB 3.24Å; A231-N235 WeakPolarHBondContact O-CB 3.46Å; A231-N235 VanDerWaalsContact O-CG 3.24Å; A231-N235 PolarHBondContact O-N 3.08Å; A231-N235 PolarHBondContact O-ND2 2.91Å
232	W	98.6	Very high	98.2	Very high	49 Å²	49	37.7 Å²	37.7	19%	0.186	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-45.2	172.7	168.9	82	0	0	0	111.8	H200 I203 Q228 F229 L230 Y234 N235 D236 S237	H200-W232 AromaticContact CE1-CD2 3.71Å; H200-W232 AromaticContact CE1-CE3 3.51Å; H200-W232 AromaticContact CE1-CZ3 3.82Å; H200-W232 AromaticContact ND1-CE3 3.58Å; H200-W232 AromaticContact ND1-CH2 3.69Å; H200-W232 AromaticContact ND1-CZ3 3.37Å; H200-W232 WeakPolarHBondContact ND1-CZ3 3.3Å; I203-W232 HydrophobicContact CB-CH2 4.08Å; I203-W232 HydrophobicContact CB-CZ3 4.29Å; I203-W232 HydrophobicContact CD1-CZ3 3.93Å; I203-W232 HydrophobicContact CG2-CH2 3.7Å; I203-W232 HydrophobicContact CG2-CZ3 4.01Å; Q228-W232 PolarHBondContact O-N 3.24Å; Q228-W232 VanDerWaalsContact O-N 3.07Å; F229-W232 HydrophobicContact CD2-CE3 4.24Å; F229-W232 HydrophobicContact CE2-CE3 4.06Å; F229-W232 AromaticContact CE2-CZ3 3.95Å; F229-W232 HydrophobicContact CE2-CZ3 3.95Å; F229-W232 WeakPolarHBondContact O-CB 3.39Å; F229-W232 PolarHBondContact O-N 2.96Å; L230-W232 PolarHBondContact O-N 2.84Å; W232-Y234 VanDerWaalsContact C-N 3.26Å; W232-Y234 PolarHBondContact O-N 2.63Å; W232-N235 PolarHBondContact O-N 2.82Å; W232-D236 PolarHBondContact O-N 3.41Å; W232-S237 PolarHBondContact O-N 3.19Å; W232-S237 VanDerWaalsContact O-N 3.17Å
233	L	98.7	Very high	98.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-55.5	-43.4	-179.9	179.9	62	0	0	0	111.4	I203 V211 F229 L230 S237 V239 K240 V243 T245	I203-L233 HydrophobicContact CD1-CD1 3.9Å; I203-L233 HydrophobicContact CG1-CD1 4.47Å; I203-L233 HydrophobicContact CG2-CD1 4.15Å; V211-L233 HydrophobicContact CG2-CD2 4.35Å; F229-L233 HydrophobicContact CE1-CD2 4.23Å; F229-L233 WeakPolarHBondContact O-CB 3.22Å; F229-L233 PolarHBondContact O-N 2.94Å; L230-L233 HydrophobicContact CD2-CD2 4.21Å; L230-L233 WeakPolarHBondContact O-CB 3.24Å; L230-L233 PolarHBondContact O-N 2.81Å; L233-S237 VanDerWaalsContact O-CB 3.28Å; L233-S237 WeakPolarHBondContact O-CB 3.28Å; L233-S237 PolarHBondContact O-OG 2.98Å; L233-V239 HydrophobicContact CD1-CG2 4.01Å; L233-K240 WeakPolarHBondContact O-CA 3.31Å; L233-K240 WeakPolarHBondContact O-CB 3.22Å; L233-V243 HydrophobicContact CD1-CG1 3.96Å; L233-V243 HydrophobicContact CD1-CG2 4.19Å; L233-V243 HydrophobicContact CD2-CG1 4.18Å; L233-V243 HydrophobicContact CD2-CG2 4.11Å; L233-V243 HydrophobicContact CG-CG1 3.8Å; L233-V243 HydrophobicContact CG-CG2 4.42Å; L233-T245 HydrophobicContact CD2-CG2 3.51Å
234	Y	98.1	Very high	98.2	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-87.5	-17.3	-176	-59.9	-21.6	0	0	0	114.8	L26 L230 W232 K240 V243 T245	L26-Y234 HydrophobicContact CD2-CD2 3.86Å; L26-Y234 HydrophobicContact CD2-CE2 4.19Å; L230-Y234 HydrophobicContact CB-CE2 4.47Å; L230-Y234 WeakPolarHBondContact O-CD2 3.41Å; L230-Y234 VanDerWaalsContact O-CG 3.3Å; L230-Y234 PolarHBondContact O-N 2.61Å; W232-Y234 VanDerWaalsContact C-N 3.26Å; W232-Y234 PolarHBondContact O-N 2.63Å; Y234-K240 WeakPolarHBondContact O-CB 3.33Å; Y234-V243 HydrophobicContact CD1-CG1 4.06Å; Y234-V243 HydrophobicContact CE1-CG1 4.15Å; Y234-T245 HydrophobicContact CE1-CG2 4.23Å; Y234-T245 PolarHBondContact OH-OG1 2.84Å
235	N	97.9	Very high	98.3	Very high	24 Å²	24	32.6 Å²	32.6	13%	0.128	17%	0.171	C	C	.	.	H	α-helix	trans	-101.2	-44.2	-179.5	-70.9	-44.7	0	0	0	113.3	K18 Y19 A231 W232 K240	K18-N235 VanDerWaalsContact CA-OD1 3.29Å; K18-N235 WeakPolarHBondContact CA-OD1 3.4Å; Y19-N235 PolarHBondContact N-ND2 2.9Å; Y19-N235 PolarHBondContact N-OD1 2.74Å; Y19-N235 PolarHBondContact O-ND2 3.46Å; A231-N235 VanDerWaalsContact O-CB 3.24Å; A231-N235 WeakPolarHBondContact O-CB 3.46Å; A231-N235 VanDerWaalsContact O-CG 3.24Å; A231-N235 PolarHBondContact O-N 3.08Å; A231-N235 PolarHBondContact O-ND2 2.91Å; W232-N235 PolarHBondContact O-N 2.82Å; N235-K240 WeakPolarHBondContact O-CD 3.29Å; N235-K240 PolarHBondContact O-NZ 2.86Å
236	D	98	Very high	98.3	Very high	90 Å²	90	29.9 Å²	29.9	48%	0.481	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-18.2	-159.1	-56.4	-49.9	0	0	0	113.1	K18 W232	K18-D236 IonicContact NZ-OD1 2.77Å; K18-D236 PolarHBondContact NZ-OD1 3.21Å; W232-D236 PolarHBondContact O-N 3.41Å
237	S	98.3	Very high	98.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.021	16%	0.155	C	C	.	.	S	Bend	trans	-66.1	158.6	-179.8	88.8	0	0	0	0	113.4	W232 L233 V239 K240	W232-S237 PolarHBondContact O-N 3.19Å; W232-S237 VanDerWaalsContact O-N 3.17Å; L233-S237 VanDerWaalsContact O-CB 3.28Å; L233-S237 WeakPolarHBondContact O-CB 3.28Å; L233-S237 PolarHBondContact O-OG 2.98Å; S237-V239 PolarHBondContact O-N 3.1Å; S237-V239 VanDerWaalsContact O-N 3.14Å; S237-V239 WeakPolarHBondContact OG-CG2 3.5Å; S237-V239 PolarHBondContact OG-N 3.03Å; S237-K240 WeakPolarHBondContact O-CB 3.5Å; S237-K240 WeakPolarHBondContact O-CG 3.15Å; S237-K240 PolarHBondContact O-N 3.34Å; S237-K240 PolarHBondContact OG-N 2.73Å
238	P	98.4	Very high	98.2	Very high	66 Å²	66	29.3 Å²	29.3	43%	0.429	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.7	176.7	28.5	-36.7	0	0	0	114.5	I203 K207	I203-P238 HydrophobicContact CG2-CG 4.41Å; K207-P238 HydrophobicContact CD-CB 4.49Å; K207-P238 HydrophobicContact CG-CB 4.29Å; K207-P238 HydrophobicContact CG-CG 4.11Å
239	V	98.5	Very high	98.2	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.048	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	9.6	-177.3	-65.9	0	0	0	0	112.7	I203 K207 L233 S237 D241 T242 V243	I203-V239 HydrophobicContact CG2-CG2 3.92Å; K207-V239 HydrophobicContact CB-CG1 3.63Å; K207-V239 HydrophobicContact CG-CG1 4.28Å; L233-V239 HydrophobicContact CD1-CG2 4.01Å; S237-V239 PolarHBondContact O-N 3.1Å; S237-V239 VanDerWaalsContact O-N 3.14Å; S237-V239 WeakPolarHBondContact OG-CG2 3.5Å; S237-V239 PolarHBondContact OG-N 3.03Å; V239-D241 PolarHBondContact O-N 3.14Å; V239-T242 PolarHBondContact O-N 3.32Å; V239-V243 HydrophobicContact CB-CB 4.11Å; V239-V243 HydrophobicContact CG2-CB 3.79Å; V239-V243 HydrophobicContact CG2-CG1 4.15Å; V239-V243 HydrophobicContact CG2-CG2 4.18Å; V239-V243 WeakPolarHBondContact O-CB 3.46Å; V239-V243 VanDerWaalsContact O-CG1 3.31Å; V239-V243 WeakPolarHBondContact O-CG1 3.36Å; V239-V243 PolarHBondContact O-N 2.85Å
240	K	97.8	Very high	98.2	Very high	78 Å²	78	24.9 Å²	24.9	34%	0.339	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-32	-174.3	63.6	-177.2	-175.9	-180	0	115.4	R29 L233 Y234 N235 S237	R29-K240 PolarHBondContact NH2-O 3.31Å; L233-K240 WeakPolarHBondContact O-CA 3.31Å; L233-K240 WeakPolarHBondContact O-CB 3.22Å; Y234-K240 WeakPolarHBondContact O-CB 3.33Å; N235-K240 WeakPolarHBondContact O-CD 3.29Å; N235-K240 PolarHBondContact O-NZ 2.86Å; S237-K240 WeakPolarHBondContact O-CB 3.5Å; S237-K240 WeakPolarHBondContact O-CG 3.15Å; S237-K240 PolarHBondContact O-N 3.34Å; S237-K240 PolarHBondContact OG-N 2.73Å
241	D	96.3	Very high	98.1	Very high	130 Å²	130	31.7 Å²	31.7	70%	0.695	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.2	-177.5	-59	-45.3	0	0	0	113.3	V239	V239-D241 PolarHBondContact O-N 3.14Å
242	T	97.7	Very high	97.9	Very high	42 Å²	42	34.3 Å²	34.3	26%	0.258	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-17.4	-174.7	66.5	0	0	0	0	114.5	P32 W34 E209 V239	P32-T242 WeakPolarHBondContact CG-O 3.38Å; W34-T242 PolarHBondContact NE1-O 3.39Å; E209-T242 WeakPolarHBondContact OE1-CB 3.49Å; E209-T242 PolarHBondContact OE1-OG1 2.68Å; V239-T242 PolarHBondContact O-N 3.32Å
243	V	98.6	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.			trans	-71.5	142.1	-175.2	69.2	0	0	0	0	112.9	R29 E209 V211 L233 Y234 V239	R29-V243 PolarHBondContact NH1-O 2.84Å; R29-V243 PolarHBondContact NH2-O 3.37Å; E209-V243 CarbonylContact O-C 3.52Å; E209-V243 VanDerWaalsContact O-CA 3.28Å; E209-V243 WeakPolarHBondContact O-CA 3.25Å; V211-V243 HydrophobicContact CG2-CG2 3.87Å; L233-V243 HydrophobicContact CD1-CG1 3.96Å; L233-V243 HydrophobicContact CD1-CG2 4.19Å; L233-V243 HydrophobicContact CD2-CG1 4.18Å; L233-V243 HydrophobicContact CD2-CG2 4.11Å; L233-V243 HydrophobicContact CG-CG1 3.8Å; L233-V243 HydrophobicContact CG-CG2 4.42Å; Y234-V243 HydrophobicContact CD1-CG1 4.06Å; Y234-V243 HydrophobicContact CE1-CG1 4.15Å; V239-V243 HydrophobicContact CB-CB 4.11Å; V239-V243 HydrophobicContact CG2-CB 3.79Å; V239-V243 HydrophobicContact CG2-CG1 4.15Å; V239-V243 HydrophobicContact CG2-CG2 4.18Å; V239-V243 WeakPolarHBondContact O-CB 3.46Å; V239-V243 VanDerWaalsContact O-CG1 3.31Å; V239-V243 WeakPolarHBondContact O-CG1 3.36Å; V239-V243 PolarHBondContact O-N 2.85Å
244	V	98.5	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.9	167.6	-60.8	0	0	0	0	110.6	L31 P32 W34 F35 E209 I210 V211 F260	L31-V244 HydrophobicContact CD2-CB 4.14Å; L31-V244 HydrophobicContact CD2-CG1 3.58Å; P32-V244 VanDerWaalsContact CD-CG1 3.41Å; P32-V244 HydrophobicContact CG-CG1 3.41Å; P32-V244 VanDerWaalsContact CG-CG1 3.41Å; W34-V244 HydrophobicContact CH2-CG2 4.23Å; W34-V244 HydrophobicContact CZ2-CG1 4.38Å; W34-V244 HydrophobicContact CZ2-CG2 4.09Å; F35-V244 HydrophobicContact CB-CG1 3.93Å; F35-V244 HydrophobicContact CD1-CG1 4.4Å; F35-V244 HydrophobicContact CD2-CG2 3.72Å; F35-V244 HydrophobicContact CE2-CG2 3.94Å; F35-V244 HydrophobicContact CG-CB 4.47Å; F35-V244 HydrophobicContact CG-CG1 4.04Å; F35-V244 HydrophobicContact CG-CG2 4.04Å; F35-V244 HydrophobicContact CZ-CG2 4.44Å; E209-V244 PolarHBondContact O-N 3.11Å; I210-V244 WeakPolarHBondContact CA-O 3.49Å; I210-V244 HydrophobicContact CB-CG2 4.19Å; I210-V244 HydrophobicContact CG1-CG2 3.69Å; I210-V244 HydrophobicContact CG2-CG2 4.16Å; V211-V244 PolarHBondContact N-O 2.81Å; V244-F260 HydrophobicContact CB-CD1 4.22Å; V244-F260 HydrophobicContact CB-CE1 4.08Å; V244-F260 HydrophobicContact CG2-CD1 4.34Å; V244-F260 HydrophobicContact CG2-CE1 3.84Å
245	T	98.6	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.7	177.7	63.5	0	0	0	0	110.2	V211 L230 L233 Y234 W249 G259 F260	V211-T245 HydrophobicContact CB-CG2 4.12Å; V211-T245 WeakPolarHBondContact O-CA 3.37Å; L230-T245 HydrophobicContact CD2-CG2 3.8Å; L233-T245 HydrophobicContact CD2-CG2 3.51Å; Y234-T245 HydrophobicContact CE1-CG2 4.23Å; Y234-T245 PolarHBondContact OH-OG1 2.84Å; T245-W249 HydrophobicContact CG2-CZ2 3.97Å; T245-G259 WeakPolarHBondContact O-CA 3.37Å; T245-G259 PolarHBondContact O-N 3.03Å; T245-F260 WeakPolarHBondContact O-CD1 3.23Å; T245-F260 WeakPolarHBondContact O-CE1 3.21Å; T245-F260 PolarHBondContact O-N 2.68Å; T245-F260 VanDerWaalsContact O-N 3.16Å
246	N	98.5	Very high	97.5	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.			trans	-76.5	-167.2	173	70.6	-29	0	0	0	111.4	W212 S213 W249 F260 T262	W212-N246 HydrophobicContact CG-CB 4.49Å; S213-N246 PolarHBondContact N-OD1 3.02Å; S213-N246 PolarHBondContact O-ND2 2.92Å; N246-W249 PolarHBondContact O-NE1 3.13Å; N246-F260 CarbonylContact C-O 3.55Å; N246-F260 VanDerWaalsContact CA-O 3.31Å; N246-F260 WeakPolarHBondContact CA-O 3.31Å; N246-F260 HydrophobicContact CB-CD2 4.21Å; N246-F260 HydrophobicContact CB-CE1 4.32Å; N246-F260 HydrophobicContact CB-CE2 3.56Å; N246-F260 HydrophobicContact CB-CZ 3.63Å; N246-T262 HydrophobicContact CB-CG2 3.81Å
247	D	97.8	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-107.1	18.8	-172.7	64	-21.6	0	0	0	114.4	T253 A254 C255 H257 F260 F261 T262 C263	D247-T253 CarbonylContact O-C 3.56Å; D247-T253 PolarHBondContact O-OG1 2.92Å; D247-A254 VanDerWaalsContact O-CA 3.26Å; D247-A254 WeakPolarHBondContact O-CA 3.34Å; D247-A254 PolarHBondContact O-N 3.32Å; D247-C255 PolarHBondContact OD2-N 3.36Å; D247-H257 WeakPolarHBondContact CA-O 3.42Å; D247-H257 WeakPolarHBondContact CB-O 3.49Å; D247-F260 PolarHBondContact N-O 3.4Å; D247-F261 HydrophobicContact CB-CD1 3.96Å; D247-F261 VanDerWaalsContact OD2-CA 3.31Å; D247-F261 WeakPolarHBondContact OD2-CA 3.47Å; D247-T262 WeakPolarHBondContact OD1-CB 3.43Å; D247-T262 PolarHBondContact OD1-N 2.95Å; D247-T262 PolarHBondContact OD1-OG1 3.13Å; D247-T262 PolarHBondContact OD2-N 3.26Å; D247-C263 PolarHBondContact OD2-N 2.94Å
248	R	98	Very high	97.2	Very high	11 Å²	11	36 Å²	36	4%	0.042	21%	0.214	C	C	.	.			trans	-108	59	-177.1	-61.6	-173.4	-175.5	-160.2	-0.5	111.6	S213 D214 T262 D265	S213-R248 VanDerWaalsContact CB-O 3.24Å; S213-R248 WeakPolarHBondContact CB-O 3.3Å; S213-R248 VanDerWaalsContact O-CB 3.3Å; S213-R248 WeakPolarHBondContact O-CB 3.31Å; S213-R248 PolarHBondContact OG-O 2.66Å; D214-R248 WeakPolarHBondContact OD1-CD 2.98Å; D214-R248 IonicContact OD1-CZ 3.55Å; D214-R248 IonicContact OD1-NH1 2.79Å; D214-R248 PolarHBondContact OD1-NH1 3.36Å; D214-R248 IonicContact OD2-NH1 2.9Å; R248-T262 PolarHBondContact NE-OG1 3.27Å; R248-D265 IonicContact CZ-OD1 3.27Å; R248-D265 IonicContact NH1-OD1 2.69Å; R248-D265 PolarHBondContact NH1-OD1 2.86Å; R248-D265 IonicContact NH2-OD1 3.34Å; R248-D265 PolarHBondContact NH2-OD1 2.96Å
249	W	98.2	Very high	97.1	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.011	20%	0.199	C	C	.	.	S	Bend	trans	-110.3	6	-174.2	-71.1	99.3	0	0	0	113.3	W23 L169 V211 D221 S226 F229 L230 T245 N246 T253	W23-W249 HydrophobicContact CH2-CB 3.95Å; L169-W249 HydrophobicContact CD2-CZ3 4.5Å; V211-W249 HydrophobicContact CG1-CH2 3.84Å; V211-W249 HydrophobicContact CG1-CZ2 4.11Å; D221-W249 WeakPolarHBondContact CA-O 3.29Å; S226-W249 VanDerWaalsContact CB-O 3.32Å; S226-W249 WeakPolarHBondContact CB-O 3.32Å; S226-W249 PolarHBondContact OG-O 2.81Å; F229-W249 HydrophobicContact CD1-CE3 4.44Å; F229-W249 AromaticContact CD1-CH2 3.86Å; F229-W249 HydrophobicContact CD1-CH2 3.86Å; F229-W249 AromaticContact CD1-CZ3 3.63Å; F229-W249 HydrophobicContact CD1-CZ3 3.63Å; F229-W249 AromaticContact CE1-CH2 3.4Å; F229-W249 HydrophobicContact CE1-CH2 3.4Å; F229-W249 HydrophobicContact CE1-CZ2 4.34Å; F229-W249 AromaticContact CE1-CZ3 3.64Å; F229-W249 HydrophobicContact CE1-CZ3 3.64Å; F229-W249 HydrophobicContact CZ-CH2 4.41Å; L230-W249 HydrophobicContact CD1-CD2 4.23Å; L230-W249 HydrophobicContact CD1-CG 4.12Å; L230-W249 HydrophobicContact CD2-CD2 4.28Å; L230-W249 HydrophobicContact CD2-CH2 4.39Å; L230-W249 HydrophobicContact CD2-CZ2 3.93Å; L230-W249 HydrophobicContact CG-CD2 4.43Å; T245-W249 HydrophobicContact CG2-CZ2 3.97Å; N246-W249 PolarHBondContact O-NE1 3.13Å; W249-T253 PolarHBondContact N-OG1 3.34Å
250	G	97.9	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	160	156.3	-177.7	0	0	0	0	0	111.8	D216 L219 G252 T253	D216-G250 PolarHBondContact OD2-N 2.83Å; L219-G250 CarbonylContact O-C 3.3Å; L219-G250 WeakPolarHBondContact O-CA 3.5Å; G250-G252 PolarHBondContact O-N 2.76Å; G250-G252 VanDerWaalsContact O-N 3.1Å; G250-T253 PolarHBondContact N-OG1 3.38Å; G250-T253 VanDerWaalsContact O-CB 3.28Å; G250-T253 WeakPolarHBondContact O-CB 3.44Å; G250-T253 VanDerWaalsContact O-CG2 3.3Å; G250-T253 WeakPolarHBondContact O-CG2 3.27Å; G250-T253 PolarHBondContact O-N 2.75Å; G250-T253 PolarHBondContact O-OG1 3.14Å
251	K	96.6	Very high	97.1	Very high	144 Å²	144	31 Å²	31	63%	0.626	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	119.3	173	-178.5	-176.7	179.8	179.9	0	110.6	L219	L219-K251 WeakPolarHBondContact O-CB 3.49Å; L219-K251 PolarHBondContact O-N 3.33Å
252	G	94.8	Very high	97.1	Very high	60 Å²	60	24.8 Å²	24.8	62%	0.619	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.9	1.1	-179.8	0	0	0	0	0	114.7	G250	G250-G252 PolarHBondContact O-N 2.76Å; G250-G252 VanDerWaalsContact O-N 3.1Å
253	T	97	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.006	15%	0.151	C	C	.	.			trans	-82.7	-27.7	176.8	61.6	0	0	0	0	113.2	W23 D221 D247 W249 G250 C255 S256 H257	W23-T253 HydrophobicContact CH2-CG2 4.07Å; W23-T253 HydrophobicContact CZ2-CG2 3.51Å; D221-T253 HydrophobicContact CB-CG2 4.26Å; D247-T253 CarbonylContact O-C 3.56Å; D247-T253 PolarHBondContact O-OG1 2.92Å; W249-T253 PolarHBondContact N-OG1 3.34Å; G250-T253 PolarHBondContact N-OG1 3.38Å; G250-T253 VanDerWaalsContact O-CB 3.28Å; G250-T253 WeakPolarHBondContact O-CB 3.44Å; G250-T253 VanDerWaalsContact O-CG2 3.3Å; G250-T253 WeakPolarHBondContact O-CG2 3.27Å; G250-T253 PolarHBondContact O-N 2.75Å; G250-T253 PolarHBondContact O-OG1 3.14Å; T253-C255 PolarHBondContact O-N 2.84Å; T253-S256 WeakPolarHBondContact O-CA 3.4Å; T253-S256 WeakPolarHBondContact O-CB 3.37Å; T253-S256 PolarHBondContact O-N 2.89Å; T253-H257 HydrophobicContact CG2-CB 4.49Å; T253-H257 PolarHBondContact O-N 2.71Å
254	A	96.1	Very high	96.9	Very high	36 Å²	36	26.9 Å²	26.9	30%	0.298	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	138.1	178	0	0	0	0	0	112.2	D247 S256	D247-A254 VanDerWaalsContact O-CA 3.26Å; D247-A254 WeakPolarHBondContact O-CA 3.34Å; D247-A254 PolarHBondContact O-N 3.32Å; A254-S256 PolarHBondContact O-N 3.17Å; A254-S256 PolarHBondContact O-OG 3.29Å; A254-S256 VanDerWaalsContact O-OG 3.12Å
255	C	95.5	Very high	96.7	Very high	62 Å²	62	30.7 Å²	30.7	42%	0.419	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	14.3	-170.5	-48	0	0	0	0	115.9	D247 T253 F261 C263	D247-C255 PolarHBondContact OD2-N 3.36Å; T253-C255 PolarHBondContact O-N 2.84Å; C255-F261 WeakPolarHBondContact O-CE2 3.23Å; C255-C263 VanDerWaalsContact CA-SG 3.59Å; C255-C263 HydrophobicContact CB-CB 4.37Å; C255-C263 WeakPolarHBondContact CB-SG 3.38Å; C255-C263 WeakPolarHBondContact SG-CA 3.18Å; C255-C263 WeakPolarHBondContact SG-CB 3.25Å; C255-C263 CovalentContact SG-SG 2.01Å; C255-C263 PolarHBondContact SG-SG 3.43Å
256	S	96.5	Very high	96.5	Very high	64 Å²	64	34.7 Å²	34.7	45%	0.448	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-41	-171.5	-54.9	0	0	0	0	112.5	T253 A254	T253-S256 WeakPolarHBondContact O-CA 3.4Å; T253-S256 WeakPolarHBondContact O-CB 3.37Å; T253-S256 PolarHBondContact O-N 2.89Å; A254-S256 PolarHBondContact O-N 3.17Å; A254-S256 PolarHBondContact O-OG 3.29Å; A254-S256 VanDerWaalsContact O-OG 3.12Å
257	H	96.7	Very high	96.5	Very high	47 Å²	47	36.7 Å²	36.7	22%	0.218	22%	0.215	C	C	.	.	S	Bend	trans	-133.2	160.8	-173.1	-64	-50.4	0	0	0	111.8	W23 D27 D247 T253	W23-H257 VanDerWaalsContact CB-CE1 3.48Å; W23-H257 WeakPolarHBondContact CB-CE1 3.32Å; W23-H257 AromaticContact CD1-CD2 3.85Å; W23-H257 AromaticContact CD1-CE1 3.9Å; W23-H257 AromaticContact CD1-NE2 3.61Å; W23-H257 HydrophobicContact CD2-CB 3.84Å; W23-H257 AromaticContact CD2-CD2 3.75Å; W23-H257 AromaticContact CD2-CG 3.5Å; W23-H257 VanDerWaalsContact CD2-CG 3.5Å; W23-H257 AromaticContact CD2-ND1 3.77Å; W23-H257 AromaticContact CE2-CD2 3.79Å; W23-H257 AromaticContact CE2-CG 3.94Å; W23-H257 HydrophobicContact CE3-CB 3.48Å; W23-H257 VanDerWaalsContact CE3-CB 3.48Å; W23-H257 AromaticContact CE3-CG 3.66Å; W23-H257 AromaticContact CE3-ND1 3.98Å; W23-H257 AromaticContact CG-CD2 3.81Å; W23-H257 AromaticContact CG-CE1 3.56Å; W23-H257 AromaticContact CG-CG 3.76Å; W23-H257 AromaticContact CG-ND1 3.59Å; W23-H257 AromaticContact CG-NE2 3.7Å; W23-H257 HydrophobicContact CH2-CB 4.05Å; W23-H257 HydrophobicContact CZ2-CB 4.35Å; W23-H257 HydrophobicContact CZ3-CB 3.61Å; W23-H257 AromaticContact NE1-CD2 3.85Å; D27-H257 IonicContact OD2-CE1 3.92Å; D27-H257 IonicContact OD2-CG 3.89Å; D27-H257 IonicContact OD2-ND1 3.42Å; D27-H257 PolarHBondContact OD2-ND1 2.92Å; D247-H257 WeakPolarHBondContact CA-O 3.42Å; D247-H257 WeakPolarHBondContact CB-O 3.49Å; T253-H257 HydrophobicContact CG2-CB 4.49Å; T253-H257 PolarHBondContact O-N 2.71Å
258	G	93.9	Very high	96.4	Very high	4 Å²	4	38 Å²	38	4%	0.041	22%	0.222	C	C	.	.	S	Bend	trans	100.1	167.7	176.6	0	0	0	0	0	113.7	D27 F260	D27-G258 PolarHBondContact OD1-N 3.19Å; G258-F260 VanDerWaalsContact C-N 3.31Å; G258-F260 PolarHBondContact O-N 3.17Å
259	G	95.5	Very high	96.3	Very high	11 Å²	11	38.9 Å²	38.9	11%	0.113	23%	0.23	C	C	.	.	S	Bend	trans	-65.9	-32.5	-173.2	0	0	0	0	0	113.5	L31 T245 H275	L31-G259 VanDerWaalsContact CD1-O 3.28Å; L31-G259 WeakPolarHBondContact CD1-O 3.45Å; L31-G259 WeakPolarHBondContact CD2-O 3.49Å; L31-G259 WeakPolarHBondContact CG-O 3.35Å; T245-G259 WeakPolarHBondContact O-CA 3.37Å; T245-G259 PolarHBondContact O-N 3.03Å; G259-H275 PolarHBondContact O-CE1 2.79Å; G259-H275 VanDerWaalsContact O-CE1 3.31Å
260	F	98.2	Very high	96.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-148.5	152.4	172.7	62.2	-88.1	0	0	0	110.9	F35 I210 V244 T245 N246 D247 G258 T262 K276 E278	F35-F260 HydrophobicContact CD1-CD1 4.36Å; F35-F260 HydrophobicContact CE1-CB 3.81Å; F35-F260 AromaticContact CE1-CD1 3.49Å; F35-F260 HydrophobicContact CE1-CD1 3.49Å; F35-F260 VanDerWaalsContact CE1-CD1 3.49Å; F35-F260 HydrophobicContact CE1-CD2 4.29Å; F35-F260 HydrophobicContact CE1-CE1 4.09Å; F35-F260 AromaticContact CE1-CG 3.6Å; F35-F260 HydrophobicContact CE1-CG 3.6Å; F35-F260 HydrophobicContact CE2-CD1 4.48Å; F35-F260 HydrophobicContact CE2-CE1 4.29Å; F35-F260 HydrophobicContact CZ-CB 4.43Å; F35-F260 AromaticContact CZ-CD1 3.56Å; F35-F260 HydrophobicContact CZ-CD1 3.56Å; F35-F260 HydrophobicContact CZ-CD2 4.07Å; F35-F260 AromaticContact CZ-CE1 3.68Å; F35-F260 HydrophobicContact CZ-CE1 3.68Å; F35-F260 HydrophobicContact CZ-CE2 4.17Å; F35-F260 AromaticContact CZ-CG 3.76Å; F35-F260 HydrophobicContact CZ-CG 3.76Å; F35-F260 AromaticContact CZ-CZ 3.99Å; F35-F260 HydrophobicContact CZ-CZ 3.99Å; I210-F260 HydrophobicContact CG2-CZ 4.46Å; V244-F260 HydrophobicContact CB-CD1 4.22Å; V244-F260 HydrophobicContact CB-CE1 4.08Å; V244-F260 HydrophobicContact CG2-CD1 4.34Å; V244-F260 HydrophobicContact CG2-CE1 3.84Å; T245-F260 WeakPolarHBondContact O-CD1 3.23Å; T245-F260 WeakPolarHBondContact O-CE1 3.21Å; T245-F260 PolarHBondContact O-N 2.68Å; T245-F260 VanDerWaalsContact O-N 3.16Å; N246-F260 CarbonylContact C-O 3.55Å; N246-F260 VanDerWaalsContact CA-O 3.31Å; N246-F260 WeakPolarHBondContact CA-O 3.31Å; N246-F260 HydrophobicContact CB-CD2 4.21Å; N246-F260 HydrophobicContact CB-CE1 4.32Å; N246-F260 HydrophobicContact CB-CE2 3.56Å; N246-F260 HydrophobicContact CB-CZ 3.63Å; D247-F260 PolarHBondContact N-O 3.4Å; G258-F260 VanDerWaalsContact C-N 3.31Å; G258-F260 PolarHBondContact O-N 3.17Å; F260-T262 HydrophobicContact CD2-CG2 4.17Å; F260-T262 HydrophobicContact CE2-CG2 3.81Å; F260-K276 CarbonylContact C-O 3.59Å; F260-K276 VanDerWaalsContact CA-O 3.29Å; F260-K276 WeakPolarHBondContact CA-O 3.16Å; F260-K276 HydrophobicContact CB-CB 4.26Å; F260-K276 HydrophobicContact CB-CG 4.02Å; F260-E278 HydrophobicContact CD2-CB 3.61Å; F260-E278 HydrophobicContact CE2-CB 3.7Å; F260-E278 HydrophobicContact CE2-CG 4.38Å; F260-E278 VanDerWaalsContact CE2-OE2 3.28Å; F260-E278 WeakPolarHBondContact CE2-OE2 3.37Å
261	F	98	Very high	96	Very high	35 Å²	35	47.2 Å²	47.2	15%	0.154	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-90.7	134.6	-178.3	-59.4	-17.7	0	0	0	111.9	D247 C255 H275 K276 W277 E278	D247-F261 HydrophobicContact CB-CD1 3.96Å; D247-F261 VanDerWaalsContact OD2-CA 3.31Å; D247-F261 WeakPolarHBondContact OD2-CA 3.47Å; C255-F261 WeakPolarHBondContact O-CE2 3.23Å; F261-H275 AromaticContact CD1-ND1 3.8Å; F261-H275 HydrophobicContact CD2-CB 3.99Å; F261-H275 AromaticContact CD2-ND1 3.94Å; F261-H275 AromaticContact CE1-CE1 3.8Å; F261-H275 AromaticContact CE1-ND1 3.68Å; F261-H275 HydrophobicContact CE2-CB 3.61Å; F261-H275 AromaticContact CE2-CG 3.71Å; F261-H275 AromaticContact CE2-ND1 3.84Å; F261-H275 AromaticContact CG-ND1 3.92Å; F261-H275 HydrophobicContact CZ-CB 4.12Å; F261-H275 AromaticContact CZ-CG 3.72Å; F261-H275 AromaticContact CZ-ND1 3.7Å; F261-K276 PolarHBondContact N-O 3.14Å; F261-W277 HydrophobicContact CB-CB 4.14Å; F261-W277 CarbonylContact O-C 3.52Å; F261-W277 WeakPolarHBondContact O-CA 3.46Å; F261-W277 VanDerWaalsContact O-CB 3.22Å; F261-W277 WeakPolarHBondContact O-CB 3.44Å; F261-E278 PolarHBondContact O-N 2.78Å
262	T	97.6	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.265	C	S	.	.			trans	-107.3	-27.1	166.2	63.8	0	0	0	0	110.8	W212 N246 D247 R248 F260 S264 F267 E278	W212-T262 HydrophobicContact CZ2-CG2 3.97Å; N246-T262 HydrophobicContact CB-CG2 3.81Å; D247-T262 WeakPolarHBondContact OD1-CB 3.43Å; D247-T262 PolarHBondContact OD1-N 2.95Å; D247-T262 PolarHBondContact OD1-OG1 3.13Å; D247-T262 PolarHBondContact OD2-N 3.26Å; R248-T262 PolarHBondContact NE-OG1 3.27Å; F260-T262 HydrophobicContact CD2-CG2 4.17Å; F260-T262 HydrophobicContact CE2-CG2 3.81Å; T262-S264 PolarHBondContact O-N 3.47Å; T262-F267 WeakPolarHBondContact O-CB 3.28Å; T262-E278 HydrophobicContact CG2-CB 4.48Å
263	C	95.5	Very high	96	Very high	26 Å²	26	44.1 Å²	44.1	18%	0.176	25%	0.248	C	C	.	.			trans	60.9	-64.7	176	-73	0	0	0	0	115.6	D247 C255 F267	D247-C263 PolarHBondContact OD2-N 2.94Å; C255-C263 VanDerWaalsContact CA-SG 3.59Å; C255-C263 HydrophobicContact CB-CB 4.37Å; C255-C263 WeakPolarHBondContact CB-SG 3.38Å; C255-C263 WeakPolarHBondContact SG-CA 3.18Å; C255-C263 WeakPolarHBondContact SG-CB 3.25Å; C255-C263 CovalentContact SG-SG 2.01Å; C255-C263 PolarHBondContact SG-SG 3.43Å; C263-F267 HydrophobicContact CB-CB 4.13Å; C263-F267 HydrophobicContact CB-CD1 3.91Å; C263-F267 HydrophobicContact CB-CD2 3.53Å; C263-F267 HydrophobicContact CB-CE1 4.16Å; C263-F267 HydrophobicContact CB-CE2 3.8Å; C263-F267 HydrophobicContact CB-CG 3.59Å; C263-F267 HydrophobicContact CB-CZ 4.11Å
264	S	94.8	Very high	95.7	Very high	61 Å²	61	50.5 Å²	50.5	43%	0.427	29%	0.289	S	S	.	.	S	Bend	trans	-149.4	167.7	177.2	65.3	0	0	0	0	109.7	T262 R266 F267	T262-S264 PolarHBondContact O-N 3.47Å; S264-R266 PolarHBondContact O-N 3.19Å; S264-F267 WeakPolarHBondContact O-CB 3.45Å; S264-F267 PolarHBondContact O-N 2.84Å
265	D	94.6	Very high	95.6	Very high	80 Å²	80	52 Å²	52	43%	0.428	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	138.9	170.4	-68.6	3.5	0	0	0	110.3	R248 F267 W288	R248-D265 IonicContact CZ-OD1 3.27Å; R248-D265 IonicContact NH1-OD1 2.69Å; R248-D265 PolarHBondContact NH1-OD1 2.86Å; R248-D265 IonicContact NH2-OD1 3.34Å; R248-D265 PolarHBondContact NH2-OD1 2.96Å; D265-F267 PolarHBondContact O-N 3.23Å; D265-F267 VanDerWaalsContact O-N 3.16Å; D265-W288 HydrophobicContact CB-CZ2 4.18Å; D265-W288 PolarHBondContact OD2-NE1 3.07Å
266	R	95.6	Very high	95.7	Very high	84 Å²	84	50.1 Å²	50.1	32%	0.317	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	30.8	-176.1	-55.3	-173.8	171.7	177.7	6.2	114.4	S264 N268 N279 C280 Y281 T282 A285	S264-R266 PolarHBondContact O-N 3.19Å; R266-N268 PolarHBondContact O-N 2.88Å; R266-N279 WeakPolarHBondContact CA-OD1 3.47Å; R266-C280 VanDerWaalsContact CA-O 3.31Å; R266-C280 WeakPolarHBondContact CA-O 3.32Å; R266-C280 PolarHBondContact N-O 3.24Å; R266-Y281 HydrophobicContact CB-CD2 3.9Å; R266-Y281 HydrophobicContact CB-CE2 4.02Å; R266-Y281 HydrophobicContact CG-CD2 3.61Å; R266-Y281 HydrophobicContact CG-CE2 3.84Å; R266-T282 PolarHBondContact NH2-OG1 3.35Å; R266-A285 VanDerWaalsContact NH2-C 3.34Å; R266-A285 PolarHBondContact NH2-O 2.84Å
267	F	97.1	Very high	95.8	Very high	41 Å²	41	47.1 Å²	47.1	18%	0.18	25%	0.254	C	S	.	.			trans	-56.6	116.6	175.8	178.1	-111.7	0	0	0	109.8	T262 C263 S264 D265 P269 W277 N279	T262-F267 WeakPolarHBondContact O-CB 3.28Å; C263-F267 HydrophobicContact CB-CB 4.13Å; C263-F267 HydrophobicContact CB-CD1 3.91Å; C263-F267 HydrophobicContact CB-CD2 3.53Å; C263-F267 HydrophobicContact CB-CE1 4.16Å; C263-F267 HydrophobicContact CB-CE2 3.8Å; C263-F267 HydrophobicContact CB-CG 3.59Å; C263-F267 HydrophobicContact CB-CZ 4.11Å; S264-F267 WeakPolarHBondContact O-CB 3.45Å; S264-F267 PolarHBondContact O-N 2.84Å; D265-F267 PolarHBondContact O-N 3.23Å; D265-F267 VanDerWaalsContact O-N 3.16Å; F267-P269 HydrophobicContact CE1-CB 4.49Å; F267-P269 HydrophobicContact CE1-CG 4Å; F267-P269 HydrophobicContact CE2-CB 4.36Å; F267-P269 HydrophobicContact CZ-CB 3.95Å; F267-P269 HydrophobicContact CZ-CG 3.96Å; F267-W277 HydrophobicContact CD1-CD2 4.37Å; F267-W277 AromaticContact CD1-CE3 3.71Å; F267-W277 HydrophobicContact CD1-CE3 3.71Å; F267-W277 HydrophobicContact CD1-CZ3 4.22Å; F267-W277 HydrophobicContact CE1-CB 4.42Å; F267-W277 HydrophobicContact CE1-CD2 4.24Å; F267-W277 HydrophobicContact CE1-CE3 4.02Å; F267-W277 HydrophobicContact CE1-CG 4.43Å; F267-W277 WeakPolarHBondContact O-CZ3 3.36Å; F267-N279 PolarHBondContact O-OD1 3.37Å
268	N	97.1	Very high	95.9	Very high	28 Å²	28	44.9 Å²	44.9	15%	0.15	24%	0.243	C	C	.	.			trans	-141.9	103	173	-175.5	-0.6	0	0	0	107.6	R266 H270 E311	R266-N268 PolarHBondContact O-N 2.88Å; N268-H270 VanDerWaalsContact C-N 3.25Å; N268-H270 PolarHBondContact ND2-CE1 2.86Å; N268-H270 PolarHBondContact O-CD2 3.3Å; N268-H270 PolarHBondContact O-N 3.11Å; N268-H270 PolarHBondContact OD1-N 3.32Å; N268-E311 PolarHBondContact ND2-OE2 3.41Å
269	P	95.4	Very high	96.1	Very high	30 Å²	30	44.7 Å²	44.7	20%	0.195	24%	0.241	C	C	.	.			trans	-79.7	-7.1	-174.5	30.4	-32.6	0	0	0	113.4	F267 T271 Q273 W277	F267-P269 HydrophobicContact CE1-CB 4.49Å; F267-P269 HydrophobicContact CE1-CG 4Å; F267-P269 HydrophobicContact CE2-CB 4.36Å; F267-P269 HydrophobicContact CZ-CB 3.95Å; F267-P269 HydrophobicContact CZ-CG 3.96Å; P269-T271 PolarHBondContact O-N 3.25Å; P269-T271 PolarHBondContact O-OG1 2.92Å; P269-Q273 HydrophobicContact CB-CG 4.36Å; P269-Q273 VanDerWaalsContact CB-NE2 3.32Å; P269-Q273 VanDerWaalsContact CG-CD 3.49Å; P269-Q273 HydrophobicContact CG-CG 3.5Å; P269-Q273 VanDerWaalsContact CG-CG 3.5Å; P269-Q273 VanDerWaalsContact CG-NE2 3.32Å; P269-W277 VanDerWaalsContact CD-CH2 3.44Å; P269-W277 HydrophobicContact CG-CH2 4.28Å; P269-W277 HydrophobicContact CG-CZ2 4.08Å
270	H	95.1	Very high	96.3	Very high	97 Å²	97	44.2 Å²	44.2	45%	0.449	24%	0.236	S	C	.	.	S	Bend	trans	52.5	18.3	-177.5	-56.4	-78.9	0	0	0	114.9	N268 E311 C315 W371	N268-H270 VanDerWaalsContact C-N 3.25Å; N268-H270 PolarHBondContact ND2-CE1 2.86Å; N268-H270 PolarHBondContact O-CD2 3.3Å; N268-H270 PolarHBondContact O-N 3.11Å; N268-H270 PolarHBondContact OD1-N 3.32Å; H270-E311 IonicContact CE1-OE2 3.87Å; H270-E311 PolarHBondContact CE1-OE2 3.33Å; H270-E311 IonicContact ND1-OE2 2.69Å; H270-E311 PolarHBondContact ND1-OE2 3.09Å; H270-C315 VanDerWaalsContact C-SG 3.56Å; H270-W371 HydrophobicContact CB-CH2 4.4Å
271	T	95.5	Very high	96.3	Very high	81 Å²	81	46 Å²	46	50%	0.497	24%	0.243	S	C	.	.	S	Bend	trans	-145.2	148.9	-177.2	49.2	0	0	0	0	108.8	P269 Q273 C315	P269-T271 PolarHBondContact O-N 3.25Å; P269-T271 PolarHBondContact O-OG1 2.92Å; T271-Q273 PolarHBondContact O-N 3.4Å; T271-Q273 PolarHBondContact O-NE2 3.42Å; T271-Q273 PolarHBondContact OG1-NE2 3.18Å; T271-C315 PolarHBondContact N-SG 3.48Å; T271-C315 VanDerWaalsContact N-SG 3.44Å; T271-C315 WeakPolarHBondContact O-CB 3.47Å
272	L	95.4	Very high	96.3	Very high	83 Å²	83	44.5 Å²	44.5	44%	0.435	24%	0.237	S	C	.	.			trans	-58.5	127.7	178.6	-180	59.8	0	0	0	111.3	P358 Q362	L272-P358 HydrophobicContact CD1-CB 3.58Å; L272-P358 HydrophobicContact CD1-CG 3.55Å; L272-Q362 HydrophobicContact CB-CG 4.1Å
273	Q	94.3	Very high	96.3	Very high	55 Å²	55	44.5 Å²	44.5	26%	0.257	24%	0.237	S	C	.	.			trans	-97.6	143.5	176.6	-59.5	-54.8	-64.7	0	0	111.5	P269 T271 H275 W277 C315	P269-Q273 HydrophobicContact CB-CG 4.36Å; P269-Q273 VanDerWaalsContact CB-NE2 3.32Å; P269-Q273 VanDerWaalsContact CG-CD 3.49Å; P269-Q273 HydrophobicContact CG-CG 3.5Å; P269-Q273 VanDerWaalsContact CG-CG 3.5Å; P269-Q273 VanDerWaalsContact CG-NE2 3.32Å; T271-Q273 PolarHBondContact O-N 3.4Å; T271-Q273 PolarHBondContact O-NE2 3.42Å; T271-Q273 PolarHBondContact OG1-NE2 3.18Å; Q273-H275 VanDerWaalsContact C-N 3.33Å; Q273-W277 VanDerWaalsContact CB-CD1 3.48Å; Q273-W277 HydrophobicContact CB-CG 4.44Å; Q273-W277 HydrophobicContact CG-CG 4.23Å; Q273-C315 PolarHBondContact N-O 3.15Å
274	P	91.7	Very high	96.5	Very high	135 Å²	135	43.5 Å²	43.5	88%	0.877	23%	0.23	S	C	*	.	S	Bend	trans	-76.3	-21.2	178.7	30.9	-35.7	0	0	0	113.3
275	H	94.5	Very high	96.6	Very high	68 Å²	68	42.3 Å²	42.3	32%	0.315	22%	0.223	S	C	.	.	S	Bend	trans	-115	152.6	179.4	-165.6	-87.8	0	0	0	110.3	G259 F261 Q273 W277	G259-H275 PolarHBondContact O-CE1 2.79Å; G259-H275 VanDerWaalsContact O-CE1 3.31Å; F261-H275 AromaticContact CD1-ND1 3.8Å; F261-H275 HydrophobicContact CD2-CB 3.99Å; F261-H275 AromaticContact CD2-ND1 3.94Å; F261-H275 AromaticContact CE1-CE1 3.8Å; F261-H275 AromaticContact CE1-ND1 3.68Å; F261-H275 HydrophobicContact CE2-CB 3.61Å; F261-H275 AromaticContact CE2-CG 3.71Å; F261-H275 AromaticContact CE2-ND1 3.84Å; F261-H275 AromaticContact CG-ND1 3.92Å; F261-H275 HydrophobicContact CZ-CB 4.12Å; F261-H275 AromaticContact CZ-CG 3.72Å; F261-H275 AromaticContact CZ-ND1 3.7Å; Q273-H275 VanDerWaalsContact C-N 3.33Å; H275-W277 PolarHBondContact O-N 3.09Å
276	K	97.2	Very high	96.7	Very high	22 Å²	22	42.9 Å²	42.9	10%	0.096	22%	0.224	C	C	.	.			trans	-62.4	139.2	175.5	-173.4	64.1	-176	-179.3	0	109.9	L31 F35 D36 F260 F261 G316 N318	L31-K276 HydrophobicContact CD1-CB 3.47Å; L31-K276 VanDerWaalsContact CD1-CB 3.47Å; L31-K276 HydrophobicContact CD1-CG 3.62Å; F35-K276 HydrophobicContact CD1-CG 4.2Å; F35-K276 HydrophobicContact CE1-CG 3.98Å; D36-K276 IonicContact OD1-NZ 2.78Å; D36-K276 PolarHBondContact OD1-NZ 3.26Å; F260-K276 CarbonylContact C-O 3.59Å; F260-K276 VanDerWaalsContact CA-O 3.29Å; F260-K276 WeakPolarHBondContact CA-O 3.16Å; F260-K276 HydrophobicContact CB-CB 4.26Å; F260-K276 HydrophobicContact CB-CG 4.02Å; F261-K276 PolarHBondContact N-O 3.14Å; K276-G316 WeakPolarHBondContact CD-O 3.37Å; K276-G316 PolarHBondContact NZ-O 3.43Å; K276-N318 VanDerWaalsContact CE-CG 3.49Å; K276-N318 WeakPolarHBondContact CE-OD1 3.46Å; K276-N318 PolarHBondContact NZ-OD1 3.42Å
277	W	98.4	Very high	96.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.008	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-141.3	165.8	178.5	64.1	-80.2	0	0	0	111.4	F261 F267 P269 Q273 H275 N279 T312 C315 G317 N318	F261-W277 HydrophobicContact CB-CB 4.14Å; F261-W277 CarbonylContact O-C 3.52Å; F261-W277 WeakPolarHBondContact O-CA 3.46Å; F261-W277 VanDerWaalsContact O-CB 3.22Å; F261-W277 WeakPolarHBondContact O-CB 3.44Å; F267-W277 HydrophobicContact CD1-CD2 4.37Å; F267-W277 AromaticContact CD1-CE3 3.71Å; F267-W277 HydrophobicContact CD1-CE3 3.71Å; F267-W277 HydrophobicContact CD1-CZ3 4.22Å; F267-W277 HydrophobicContact CE1-CB 4.42Å; F267-W277 HydrophobicContact CE1-CD2 4.24Å; F267-W277 HydrophobicContact CE1-CE3 4.02Å; F267-W277 HydrophobicContact CE1-CG 4.43Å; F267-W277 WeakPolarHBondContact O-CZ3 3.36Å; P269-W277 VanDerWaalsContact CD-CH2 3.44Å; P269-W277 HydrophobicContact CG-CH2 4.28Å; P269-W277 HydrophobicContact CG-CZ2 4.08Å; Q273-W277 VanDerWaalsContact CB-CD1 3.48Å; Q273-W277 HydrophobicContact CB-CG 4.44Å; Q273-W277 HydrophobicContact CG-CG 4.23Å; H275-W277 PolarHBondContact O-N 3.09Å; W277-N279 HydrophobicContact CE3-CB 4.48Å; W277-N279 HydrophobicContact CZ3-CB 3.76Å; W277-T312 HydrophobicContact CH2-CG2 3.71Å; W277-T312 HydrophobicContact CZ2-CG2 4.28Å; W277-T312 WeakPolarHBondContact CZ2-O 3.36Å; W277-T312 HydrophobicContact CZ3-CG2 3.96Å; W277-C315 HydrophobicContact CZ2-CB 3.78Å; W277-C315 PolarHBondContact NE1-O 2.92Å; W277-G317 CarbonylContact O-C 3.55Å; W277-G317 VanDerWaalsContact O-CA 3.25Å; W277-G317 WeakPolarHBondContact O-CA 3.32Å; W277-N318 PolarHBondContact O-N 3.32Å
278	E	98.6	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	125.6	179.3	-175.2	174.7	-111.1	0	0	110.4	Y115 W212 F260 F261 T262 C280 N318 L320	Y115-E278 VanDerWaalsContact CE2-OE1 3.3Å; Y115-E278 WeakPolarHBondContact CE2-OE1 3.43Å; Y115-E278 VanDerWaalsContact CZ-OE1 3.3Å; Y115-E278 PolarHBondContact OH-OE1 3.26Å; W212-E278 PolarHBondContact NE1-OE2 3.36Å; F260-E278 HydrophobicContact CD2-CB 3.61Å; F260-E278 HydrophobicContact CE2-CB 3.7Å; F260-E278 HydrophobicContact CE2-CG 4.38Å; F260-E278 VanDerWaalsContact CE2-OE2 3.28Å; F260-E278 WeakPolarHBondContact CE2-OE2 3.37Å; F261-E278 PolarHBondContact O-N 2.78Å; T262-E278 HydrophobicContact CG2-CB 4.48Å; E278-C280 PolarHBondContact O-N 3.35Å; E278-N318 CarbonylContact C-O 3.58Å; E278-N318 VanDerWaalsContact CA-O 3.28Å; E278-N318 WeakPolarHBondContact CA-O 3.26Å; E278-N318 HydrophobicContact CG-CB 4.24Å; E278-L320 HydrophobicContact CG-CB 3.75Å; E278-L320 WeakPolarHBondContact OE2-CD2 3.49Å
279	N	98.6	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	98.6	170.6	-171.7	-6.9	0	0	0	108.8	R266 F267 W277 Y281 T312 N318 F319 L320	R266-N279 WeakPolarHBondContact CA-OD1 3.47Å; F267-N279 PolarHBondContact O-OD1 3.37Å; W277-N279 HydrophobicContact CE3-CB 4.48Å; W277-N279 HydrophobicContact CZ3-CB 3.76Å; N279-Y281 PolarHBondContact O-N 3.29Å; N279-T312 HydrophobicContact CB-CG2 3.68Å; N279-T312 PolarHBondContact ND2-OG1 3.09Å; N279-N318 PolarHBondContact N-O 3.33Å; N279-F319 HydrophobicContact CB-CD2 4.03Å; N279-L320 PolarHBondContact O-N 3.29Å
280	C	98	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.4	169.7	62.1	0	0	0	0	109.3	W212 R266 E278 W288	W212-C280 HydrophobicContact CZ2-CB 4.36Å; R266-C280 VanDerWaalsContact CA-O 3.31Å; R266-C280 WeakPolarHBondContact CA-O 3.32Å; R266-C280 PolarHBondContact N-O 3.24Å; E278-C280 PolarHBondContact O-N 3.35Å; C280-W288 HydrophobicContact CB-CH2 3.66Å; C280-W288 HydrophobicContact CB-CZ3 4.32Å
281	Y	98.3	Very high	97.2	Very high	39 Å²	39	33 Å²	33	15%	0.153	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.4	-168.1	-150.8	-106.9	0	0	0	111.1	R266 N279 L300 L305 A308 F319 L320 L321 N322	R266-Y281 HydrophobicContact CB-CD2 3.9Å; R266-Y281 HydrophobicContact CB-CE2 4.02Å; R266-Y281 HydrophobicContact CG-CD2 3.61Å; R266-Y281 HydrophobicContact CG-CE2 3.84Å; N279-Y281 PolarHBondContact O-N 3.29Å; Y281-L300 HydrophobicContact CD1-CD1 4.23Å; Y281-L300 HydrophobicContact CE1-CD1 3.29Å; Y281-L305 HydrophobicContact CD1-CD2 3.96Å; Y281-L305 HydrophobicContact CE1-CD2 3.95Å; Y281-A308 HydrophobicContact CE1-CB 4.23Å; Y281-F319 AromaticContact CD1-CE2 4Å; Y281-F319 HydrophobicContact CD1-CE2 4Å; Y281-F319 AromaticContact CD1-CZ 3.67Å; Y281-F319 HydrophobicContact CD1-CZ 3.67Å; Y281-F319 HydrophobicContact CD2-CE2 4.36Å; Y281-F319 AromaticContact CG-CE2 3.73Å; Y281-F319 HydrophobicContact CG-CE2 3.73Å; Y281-F319 AromaticContact CG-CZ 3.85Å; Y281-F319 HydrophobicContact CG-CZ 3.85Å; Y281-L320 PolarHBondContact N-O 3.2Å; Y281-L321 HydrophobicContact CD1-CD1 4.3Å; Y281-N322 VanDerWaalsContact O-CB 3.23Å; Y281-N322 WeakPolarHBondContact O-CB 3.31Å; Y281-N322 PolarHBondContact O-N 2.65Å
282	T	98.4	Very high	97.3	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.3	-176.6	61.6	0	0	0	0	111.6	R266 D284 W288 L300 N322	R266-T282 PolarHBondContact NH2-OG1 3.35Å; T282-D284 VanDerWaalsContact CB-O 3.22Å; T282-D284 WeakPolarHBondContact CB-O 3.47Å; T282-D284 PolarHBondContact OG1-O 2.88Å; T282-W288 HydrophobicContact CG2-CD2 3.4Å; T282-W288 HydrophobicContact CG2-CE3 3.38Å; T282-W288 HydrophobicContact CG2-CG 3.93Å; T282-W288 HydrophobicContact CG2-CH2 4.04Å; T282-W288 HydrophobicContact CG2-CZ2 4.1Å; T282-W288 HydrophobicContact CG2-CZ3 3.71Å; T282-L300 WeakPolarHBondContact O-CD1 3.29Å; T282-N322 HydrophobicContact CG2-CB 4Å
283	I	98.7	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-74.6	-44.7	171.2	-63.9	174.2	0	0	0	110.5	A285 Y299 L300 L305 L321 N322 V323 F335 R338 L339	I283-A285 PolarHBondContact O-N 2.95Å; I283-Y299 HydrophobicContact CG2-CD1 4.15Å; I283-Y299 CarbonylContact O-C 3.59Å; I283-Y299 WeakPolarHBondContact O-CA 3.44Å; I283-L300 PolarHBondContact O-N 3.24Å; I283-L305 HydrophobicContact CG1-CD1 3.97Å; I283-L305 HydrophobicContact CG2-CD1 4.47Å; I283-L321 HydrophobicContact CD1-CD2 4.01Å; I283-L321 HydrophobicContact CD1-CG 4.15Å; I283-L321 HydrophobicContact CG1-CD1 3.68Å; I283-L321 HydrophobicContact CG1-CD2 3.97Å; I283-L321 HydrophobicContact CG1-CG 3.84Å; I283-N322 PolarHBondContact N-O 2.81Å; I283-V323 HydrophobicContact CD1-CG1 3.98Å; I283-F335 HydrophobicContact CB-CD1 3.86Å; I283-F335 HydrophobicContact CB-CE1 3.96Å; I283-F335 HydrophobicContact CD1-CD1 3.94Å; I283-F335 HydrophobicContact CG1-CD1 4.46Å; I283-F335 HydrophobicContact CG2-CD1 3.89Å; I283-F335 HydrophobicContact CG2-CE1 4.13Å; I283-R338 HydrophobicContact CD1-CB 3.99Å; I283-R338 HydrophobicContact CG2-CB 4.29Å; I283-R338 HydrophobicContact CG2-CG 3.91Å; I283-L339 HydrophobicContact CD1-CD2 4.06Å; I283-L339 HydrophobicContact CD1-CG 4.29Å
284	D	98.4	Very high	97.5	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-72.5	119.2	168.1	-178.4	-18	0	0	0	108.2	T282 E286 R291 Y299	T282-D284 VanDerWaalsContact CB-O 3.22Å; T282-D284 WeakPolarHBondContact CB-O 3.47Å; T282-D284 PolarHBondContact OG1-O 2.88Å; D284-E286 PolarHBondContact O-N 3.02Å; D284-E286 PolarHBondContact OD1-N 2.97Å; D284-R291 IonicContact OD1-CZ 3.7Å; D284-R291 IonicContact OD1-NE 3.32Å; D284-R291 IonicContact OD1-NH2 2.75Å; D284-R291 PolarHBondContact OD1-NH2 3.11Å; D284-R291 IonicContact OD2-CZ 3.64Å; D284-R291 IonicContact OD2-NE 3.22Å; D284-R291 PolarHBondContact OD2-NE 3.5Å; D284-R291 IonicContact OD2-NH2 2.95Å; D284-R291 PolarHBondContact OD2-NH2 3.02Å; D284-Y299 HydrophobicContact CB-CD1 4.02Å; D284-Y299 HydrophobicContact CB-CE1 3.96Å
285	A	97.7	Very high	97.8	Very high	36 Å²	36	31.3 Å²	31.3	30%	0.298	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.3	-175	0	0	0	0	0	112.6	R266 I283 D298 L300	R266-A285 VanDerWaalsContact NH2-C 3.34Å; R266-A285 PolarHBondContact NH2-O 2.84Å; I283-A285 PolarHBondContact O-N 2.95Å; A285-D298 WeakPolarHBondContact CB-O 3.43Å; A285-D298 PolarHBondContact N-O 2.96Å; A285-L300 HydrophobicContact CB-CD2 4.18Å; A285-L300 HydrophobicContact CB-CG 4.31Å
286	E	96.9	Very high	97.9	Very high	93 Å²	93	34 Å²	34	44%	0.435	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-6.9	-172.1	-53.9	-166.7	148.4	0	0	114.3	S57 D284 R291	S57-E286 PolarHBondContact N-O 2.69Å; D284-E286 PolarHBondContact O-N 3.02Å; D284-E286 PolarHBondContact OD1-N 2.97Å; E286-R291 IonicContact OE2-CZ 3.7Å; E286-R291 VanDerWaalsContact OE2-CZ 3.25Å; E286-R291 IonicContact OE2-NH1 2.69Å; E286-R291 PolarHBondContact OE2-NH1 3.32Å; E286-R291 IonicContact OE2-NH2 3.88Å; E286-R291 PolarHBondContact OE2-NH2 3.16Å
287	S	98.1	Very high	97.9	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.028	19%	0.191	C	C	.	.			trans	-153.6	145.2	-168.1	-166.5	0	0	0	0	114	A58 E59 G289	A58-S287 PolarHBondContact N-OG 3.22Å; E59-S287 PolarHBondContact OE2-OG 2.92Å; S287-G289 WeakPolarHBondContact CB-O 3.33Å; S287-G289 PolarHBondContact OG-N 3.47Å; S287-G289 PolarHBondContact OG-O 2.78Å
288	W	98.5	Very high	97.9	Very high	26 Å²	26	41.5 Å²	41.5	10%	0.098	20%	0.198	C	C	.	.	S	Bend	trans	-84.3	-44.3	165.7	-63	92.1	0	0	0	110.3	F43 H45 E59 D265 C280 T282 N322	F43-W288 HydrophobicContact CD1-CE3 4.45Å; F43-W288 AromaticContact CD1-CZ3 3.81Å; F43-W288 HydrophobicContact CD1-CZ3 3.81Å; F43-W288 HydrophobicContact CE1-CZ3 4.08Å; H45-W288 HydrophobicContact CB-CB 3.98Å; H45-W288 WeakPolarHBondContact CB-O 3.45Å; H45-W288 AromaticContact CE1-CD2 3.86Å; H45-W288 AromaticContact CE1-CE3 3.34Å; H45-W288 AromaticContact ND1-CE3 3.54Å; E59-W288 HydrophobicContact CG-CB 4.11Å; E59-W288 PolarHBondContact OE2-N 2.69Å; E59-W288 VanDerWaalsContact OE2-N 3.13Å; D265-W288 HydrophobicContact CB-CZ2 4.18Å; D265-W288 PolarHBondContact OD2-NE1 3.07Å; C280-W288 HydrophobicContact CB-CH2 3.66Å; C280-W288 HydrophobicContact CB-CZ3 4.32Å; T282-W288 HydrophobicContact CG2-CD2 3.4Å; T282-W288 HydrophobicContact CG2-CE3 3.38Å; T282-W288 HydrophobicContact CG2-CG 3.93Å; T282-W288 HydrophobicContact CG2-CH2 4.04Å; T282-W288 HydrophobicContact CG2-CZ2 4.1Å; T282-W288 HydrophobicContact CG2-CZ3 3.71Å; W288-N322 WeakPolarHBondContact CA-ND2 3Å; W288-N322 HydrophobicContact CE3-CB 3.64Å; W288-N322 HydrophobicContact CZ3-CB 3.74Å; W288-N322 PolarHBondContact O-ND2 3.28Å
289	G	98	Very high	97.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	-78.5	161.1	176	0	0	0	0	0	113.1	E59 S287	E59-G289 PolarHBondContact OE2-N 2.7Å; S287-G289 WeakPolarHBondContact CB-O 3.33Å; S287-G289 PolarHBondContact OG-N 3.47Å; S287-G289 PolarHBondContact OG-O 2.78Å
290	Y	98.4	Very high	97.9	Very high	31 Å²	31	43.2 Å²	43.2	12%	0.122	21%	0.206	C	C	.	.			trans	-64.1	132.6	178.2	174.3	-120.7	0	0	0	113	S53 A58 R292 G324 P325 T326 L332	S53-Y290 CarbonylContact C-O 3.14Å; S53-Y290 WeakPolarHBondContact CA-O 3.49Å; S53-Y290 VanDerWaalsContact CB-CD1 3.49Å; S53-Y290 WeakPolarHBondContact CB-O 3.29Å; A58-Y290 WeakPolarHBondContact CB-O 3.48Å; Y290-R292 HydrophobicContact CE1-CB 3.89Å; Y290-G324 WeakPolarHBondContact CB-O 3.5Å; Y290-P325 WeakPolarHBondContact CB-O 3.25Å; Y290-T326 HydrophobicContact CD1-CG2 3.94Å; Y290-T326 HydrophobicContact CD2-CG2 4.35Å; Y290-T326 HydrophobicContact CE1-CG2 3.64Å; Y290-T326 HydrophobicContact CE2-CG2 4.12Å; Y290-T326 HydrophobicContact CG-CG2 4.28Å; Y290-L332 HydrophobicContact CD2-CD1 4.12Å; Y290-L332 HydrophobicContact CE2-CD1 3.36Å; Y290-L332 HydrophobicContact CE2-CG 4.18Å
291	R	98.2	Very high	97.8	Very high	9 Å²	9	46 Å²	46	3%	0.034	22%	0.223	C	C	.	.			trans	-115.1	120.8	171.2	-67	-170.8	-52.8	137.7	-5.6	111	G55 A58 D284 E286 E293 A294 D298	G55-R291 WeakPolarHBondContact O-CD 3.46Å; G55-R291 WeakPolarHBondContact O-CG 3.38Å; A58-R291 HydrophobicContact CB-CG 3.81Å; D284-R291 IonicContact OD1-CZ 3.7Å; D284-R291 IonicContact OD1-NE 3.32Å; D284-R291 IonicContact OD1-NH2 2.75Å; D284-R291 PolarHBondContact OD1-NH2 3.11Å; D284-R291 IonicContact OD2-CZ 3.64Å; D284-R291 IonicContact OD2-NE 3.22Å; D284-R291 PolarHBondContact OD2-NE 3.5Å; D284-R291 IonicContact OD2-NH2 2.95Å; D284-R291 PolarHBondContact OD2-NH2 3.02Å; E286-R291 IonicContact OE2-CZ 3.7Å; E286-R291 VanDerWaalsContact OE2-CZ 3.25Å; E286-R291 IonicContact OE2-NH1 2.69Å; E286-R291 PolarHBondContact OE2-NH1 3.32Å; E286-R291 IonicContact OE2-NH2 3.88Å; E286-R291 PolarHBondContact OE2-NH2 3.16Å; R291-E293 VanDerWaalsContact C-N 3.31Å; R291-E293 IonicContact NH1-OE1 2.84Å; R291-E293 PolarHBondContact O-N 3.29Å; R291-A294 HydrophobicContact CB-CB 3.89Å; R291-D298 VanDerWaalsContact NH2-CB 3.31Å; R291-D298 IonicContact NH2-OD2 3.94Å
292	R	96.3	Very high	97.7	Very high	106 Å²	106	44.9 Å²	44.9	40%	0.4	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.8	-177.2	73.9	-161.9	-168	-175.6	7.6	113.6	P52 S53 F76 Y290	P52-R292 PolarHBondContact O-NH1 2.82Å; S53-R292 WeakPolarHBondContact O-CG 3.38Å; S53-R292 PolarHBondContact O-N 3.01Å; S53-R292 WeakPolarHBondContact OG-CD 3.04Å; F76-R292 VanDerWaalsContact CZ-CZ 3.43Å; Y290-R292 HydrophobicContact CE1-CB 3.89Å
293	E	96.7	Very high	97.5	Very high	66 Å²	66	49.2 Å²	49.2	31%	0.308	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-9.4	177.5	74.8	-73.9	180	0	0	113.8	Y54 G55 R291	Y54-E293 HydrophobicContact CD2-CG 4.23Å; Y54-E293 HydrophobicContact CE2-CG 4.3Å; G55-E293 PolarHBondContact N-OE1 2.91Å; R291-E293 VanDerWaalsContact C-N 3.31Å; R291-E293 IonicContact NH1-OE1 2.84Å; R291-E293 PolarHBondContact O-N 3.29Å
294	A	97.6	Very high	97.4	Very high	20 Å²	20	53.7 Å²	53.7	17%	0.165	26%	0.263	C	S	.	.			trans	-60.7	137.9	-177.8	0	0	0	0	0	111.7	R291 D298 Y299	R291-A294 HydrophobicContact CB-CB 3.89Å; A294-D298 WeakPolarHBondContact CA-OD2 3.18Å; A294-D298 HydrophobicContact CB-CB 4.44Å; A294-Y299 HydrophobicContact CB-CE2 3.95Å; A294-Y299 WeakPolarHBondContact CB-OH 3.44Å
295	K	97.6	Very high	97.3	Very high	128 Å²	128	53.5 Å²	53.5	56%	0.557	26%	0.262	S	S	*	.			trans	-103.3	169.1	178.4	-60.5	177.5	-168.1	164.6	0	110.5	E297 D298 Y299	K295-E297 HydrophobicContact CB-CG 4.22Å; K295-E297 IonicContact NZ-OE1 2.91Å; K295-E297 PolarHBondContact O-N 2.77Å; K295-D298 PolarHBondContact N-OD2 3.16Å; K295-D298 WeakPolarHBondContact O-CB 3.35Å; K295-D298 PolarHBondContact O-N 3.08Å; K295-Y299 WeakPolarHBondContact O-CD2 3.46Å; K295-Y299 VanDerWaalsContact O-CE2 3.3Å; K295-Y299 WeakPolarHBondContact O-CE2 3.33Å
296	L	97.5	Very high	97.3	Very high	123 Å²	123	51.8 Å²	51.8	64%	0.644	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-55.1	-38.2	-179.8	-177.9	60.8	0	0	0	113.3	D298 Y299 I334	L296-D298 PolarHBondContact O-N 2.89Å; L296-Y299 PolarHBondContact O-N 2.95Å; L296-I334 HydrophobicContact CD1-CD1 3.89Å
297	E	97.8	Very high	97.3	Very high	153 Å²	153	50.1 Å²	50.1	72%	0.715	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-67.6	-20	179.7	64.3	-165.6	179.1	0	0	113.9	K295 Y299	K295-E297 HydrophobicContact CB-CG 4.22Å; K295-E297 IonicContact NZ-OE1 2.91Å; K295-E297 PolarHBondContact O-N 2.77Å; E297-Y299 VanDerWaalsContact C-N 3.27Å; E297-Y299 PolarHBondContact O-N 3.23Å
298	D	97.9	Very high	97.3	Very high	29 Å²	29	50.2 Å²	50.2	16%	0.155	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-78.8	-13.8	177.2	-54.8	-34	0	0	0	112.1	A285 R291 A294 K295 L296	A285-D298 WeakPolarHBondContact CB-O 3.43Å; A285-D298 PolarHBondContact N-O 2.96Å; R291-D298 VanDerWaalsContact NH2-CB 3.31Å; R291-D298 IonicContact NH2-OD2 3.94Å; A294-D298 WeakPolarHBondContact CA-OD2 3.18Å; A294-D298 HydrophobicContact CB-CB 4.44Å; K295-D298 PolarHBondContact N-OD2 3.16Å; K295-D298 WeakPolarHBondContact O-CB 3.35Å; K295-D298 PolarHBondContact O-N 3.08Å; L296-D298 PolarHBondContact O-N 2.89Å
299	Y	98.4	Very high	97.3	Very high	18 Å²	18	49 Å²	49	7%	0.071	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-100	125.3	179.3	-59.4	-83.4	0	0	0	110.8	I283 D284 A294 K295 L296 E297 I334 F335	I283-Y299 HydrophobicContact CG2-CD1 4.15Å; I283-Y299 CarbonylContact O-C 3.59Å; I283-Y299 WeakPolarHBondContact O-CA 3.44Å; D284-Y299 HydrophobicContact CB-CD1 4.02Å; D284-Y299 HydrophobicContact CB-CE1 3.96Å; A294-Y299 HydrophobicContact CB-CE2 3.95Å; A294-Y299 WeakPolarHBondContact CB-OH 3.44Å; K295-Y299 WeakPolarHBondContact O-CD2 3.46Å; K295-Y299 VanDerWaalsContact O-CE2 3.3Å; K295-Y299 WeakPolarHBondContact O-CE2 3.33Å; L296-Y299 PolarHBondContact O-N 2.95Å; E297-Y299 VanDerWaalsContact C-N 3.27Å; E297-Y299 PolarHBondContact O-N 3.23Å; Y299-I334 HydrophobicContact CD1-CG1 4.32Å; Y299-I334 HydrophobicContact CD1-CG2 4.37Å; Y299-I334 HydrophobicContact CD2-CG1 4.09Å; Y299-I334 HydrophobicContact CE1-CG2 4.06Å; Y299-I334 HydrophobicContact CE2-CG2 4.35Å; Y299-I334 HydrophobicContact CG-CG1 3.94Å; Y299-F335 HydrophobicContact CD1-CE1 4.18Å; Y299-F335 HydrophobicContact CD1-CZ 4.49Å; Y299-F335 AromaticContact CE1-CE1 3.89Å; Y299-F335 HydrophobicContact CE1-CE1 3.89Å; Y299-F335 HydrophobicContact CE1-CE2 4.47Å; Y299-F335 AromaticContact CE1-CZ 3.74Å; Y299-F335 HydrophobicContact CE1-CZ 3.74Å
300	L	98	Very high	97.3	Very high	19 Å²	19	49 Å²	49	10%	0.099	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-57	142.6	175.6	-62.3	179	0	0	0	111.1	Y281 T282 I283 A285 Q304 L305 R338	Y281-L300 HydrophobicContact CD1-CD1 4.23Å; Y281-L300 HydrophobicContact CE1-CD1 3.29Å; T282-L300 WeakPolarHBondContact O-CD1 3.29Å; I283-L300 PolarHBondContact O-N 3.24Å; A285-L300 HydrophobicContact CB-CD2 4.18Å; A285-L300 HydrophobicContact CB-CG 4.31Å; L300-Q304 HydrophobicContact CB-CB 4.39Å; L300-L305 HydrophobicContact CB-CD2 3.89Å; L300-L305 HydrophobicContact CB-CG 4.08Å; L300-L305 HydrophobicContact CD1-CD2 4Å; L300-R338 PolarHBondContact O-NE 2.99Å
301	T	96.4	Very high	97.3	Very high	59 Å²	59	48.5 Å²	48.5	36%	0.362	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-72.7	157.7	178	70	0	0	0	0	110.7	E303 Q304 L305	T301-E303 PolarHBondContact O-N 3.05Å; T301-Q304 PolarHBondContact O-N 3.41Å; T301-Q304 VanDerWaalsContact O-N 3.15Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.47Å; T301-Q304 PolarHBondContact OG1-N 3.37Å; T301-Q304 PolarHBondContact OG1-OE1 2.82Å; T301-L305 VanDerWaalsContact O-CG 3.31Å; T301-L305 WeakPolarHBondContact O-CG 3.41Å; T301-L305 PolarHBondContact O-N 2.61Å
302	A	95.3	Very high	97.3	Very high	14 Å²	14	48.1 Å²	48.1	12%	0.116	23%	0.233	C	C	.	.	H	α-helix	trans	-55.7	-34.8	174	0	0	0	0	0	112	L305 I306 V454	A302-L305 PolarHBondContact O-N 3.49Å; A302-I306 WeakPolarHBondContact O-CB 3.18Å; A302-I306 WeakPolarHBondContact O-CD1 3.47Å; A302-I306 VanDerWaalsContact O-CG1 3.22Å; A302-I306 WeakPolarHBondContact O-CG1 3.19Å; A302-I306 PolarHBondContact O-N 2.66Å; A302-V454 HydrophobicContact CB-CG2 4.13Å
303	E	94.4	Very high	97.4	Very high	95 Å²	95	43.1 Å²	43.1	44%	0.444	21%	0.214	S	C	.	.	H	α-helix	trans	-60.6	-51.3	174.7	-174.7	174.6	155.3	0	0	112.6	T301 L305 I306 K307 C456	T301-E303 PolarHBondContact O-N 3.05Å; E303-L305 VanDerWaalsContact C-N 3.28Å; E303-L305 PolarHBondContact O-N 2.93Å; E303-I306 PolarHBondContact O-N 3.2Å; E303-K307 WeakPolarHBondContact O-CB 3.34Å; E303-K307 PolarHBondContact O-N 2.8Å; E303-C456 HydrophobicContact CB-CB 4.19Å; E303-C456 WeakPolarHBondContact CB-SG 3.25Å; E303-C456 HydrophobicContact CG-CB 3.71Å; E303-C456 VanDerWaalsContact CG-SG 3.51Å; E303-C456 WeakPolarHBondContact OE2-CB 3.47Å
304	Q	96.6	Very high	97.4	Very high	93 Å²	93	40 Å²	40	44%	0.435	20%	0.199	S	C	.	.	H	α-helix	trans	-61	-40.5	179.2	-71.2	171.1	-51.7	0	0	111.3	L300 T301 K307 A308	L300-Q304 HydrophobicContact CB-CB 4.39Å; T301-Q304 PolarHBondContact O-N 3.41Å; T301-Q304 VanDerWaalsContact O-N 3.15Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.47Å; T301-Q304 PolarHBondContact OG1-N 3.37Å; T301-Q304 PolarHBondContact OG1-OE1 2.82Å; Q304-K307 PolarHBondContact O-N 2.8Å; Q304-A308 PolarHBondContact O-N 2.89Å
305	L	98	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-45.5	177.8	-64.1	174.6	0	0	0	112.1	Y281 I283 L300 T301 A302 E303 K307 A308 F309 L321 R338 I342	Y281-L305 HydrophobicContact CD1-CD2 3.96Å; Y281-L305 HydrophobicContact CE1-CD2 3.95Å; I283-L305 HydrophobicContact CG1-CD1 3.97Å; I283-L305 HydrophobicContact CG2-CD1 4.47Å; L300-L305 HydrophobicContact CB-CD2 3.89Å; L300-L305 HydrophobicContact CB-CG 4.08Å; L300-L305 HydrophobicContact CD1-CD2 4Å; T301-L305 VanDerWaalsContact O-CG 3.31Å; T301-L305 WeakPolarHBondContact O-CG 3.41Å; T301-L305 PolarHBondContact O-N 2.61Å; A302-L305 PolarHBondContact O-N 3.49Å; E303-L305 VanDerWaalsContact C-N 3.28Å; E303-L305 PolarHBondContact O-N 2.93Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 2.71Å; L305-A308 PolarHBondContact O-N 3.37Å; L305-F309 VanDerWaalsContact O-CB 3.31Å; L305-F309 WeakPolarHBondContact O-CB 3.45Å; L305-F309 PolarHBondContact O-N 2.94Å; L305-L321 HydrophobicContact CD1-CD2 4.35Å; L305-L321 HydrophobicContact CD2-CD1 3.78Å; L305-R338 HydrophobicContact CD1-CB 4.02Å; L305-R338 HydrophobicContact CD1-CG 4.27Å; L305-I342 HydrophobicContact CB-CD1 4.17Å; L305-I342 HydrophobicContact CD1-CD1 4.39Å
306	I	96.9	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-38.3	177.7	-71.6	166.2	0	0	0	110.7	A302 E303 F309 I310 I342 W345 V454 C457	A302-I306 WeakPolarHBondContact O-CB 3.18Å; A302-I306 WeakPolarHBondContact O-CD1 3.47Å; A302-I306 VanDerWaalsContact O-CG1 3.22Å; A302-I306 WeakPolarHBondContact O-CG1 3.19Å; A302-I306 PolarHBondContact O-N 2.66Å; E303-I306 PolarHBondContact O-N 3.2Å; I306-F309 WeakPolarHBondContact O-CB 3.35Å; I306-F309 PolarHBondContact O-N 3.43Å; I306-I310 HydrophobicContact CG2-CD1 3.61Å; I306-I310 HydrophobicContact CG2-CG1 4.41Å; I306-I310 WeakPolarHBondContact O-CD1 3.23Å; I306-I310 WeakPolarHBondContact O-CG1 3.48Å; I306-I310 PolarHBondContact O-N 3.32Å; I306-I342 HydrophobicContact CD1-CG1 4.44Å; I306-I342 HydrophobicContact CG1-CG1 3.96Å; I306-W345 HydrophobicContact CD1-CB 4.01Å; I306-W345 HydrophobicContact CD1-CD2 4.17Å; I306-W345 HydrophobicContact CD1-CE3 4.42Å; I306-W345 HydrophobicContact CD1-CG 3.97Å; I306-W345 HydrophobicContact CG1-CD2 4.45Å; I306-W345 HydrophobicContact CG1-CE3 4.3Å; I306-W345 HydrophobicContact CG2-CD2 4.02Å; I306-W345 HydrophobicContact CG2-CE3 4.15Å; I306-W345 HydrophobicContact CG2-CH2 4.1Å; I306-W345 HydrophobicContact CG2-CZ2 3.96Å; I306-W345 HydrophobicContact CG2-CZ3 4.19Å; I306-V454 HydrophobicContact CD1-CB 4.41Å; I306-V454 HydrophobicContact CD1-CG1 3.59Å; I306-V454 HydrophobicContact CD1-CG2 4.2Å; I306-C457 HydrophobicContact CG2-CB 3.85Å
307	K	96.8	Very high	97.4	Very high	58 Å²	58	27.6 Å²	27.6	25%	0.252	14%	0.139	S	C	.	.	H	α-helix	trans	-60.2	-53.9	174.6	-175.5	170.7	-176.9	172.8	0	111.6	E303 Q304 L305 F309 I310 E311 D369 F400	E303-K307 WeakPolarHBondContact O-CB 3.34Å; E303-K307 PolarHBondContact O-N 2.8Å; Q304-K307 PolarHBondContact O-N 2.8Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 2.71Å; K307-F309 PolarHBondContact O-N 2.84Å; K307-I310 PolarHBondContact O-N 3.48Å; K307-E311 WeakPolarHBondContact CE-OE1 3.27Å; K307-E311 VanDerWaalsContact O-CG 3.3Å; K307-E311 WeakPolarHBondContact O-CG 3.36Å; K307-E311 PolarHBondContact O-N 3.06Å; K307-D369 WeakPolarHBondContact CE-OD1 3.36Å; K307-D369 IonicContact NZ-OD1 3.18Å; K307-D369 PolarHBondContact NZ-OD1 3.28Å; K307-D369 IonicContact NZ-OD2 3.52Å; K307-D369 PolarHBondContact NZ-OD2 3.08Å; K307-F400 HydrophobicContact CB-CD1 4.27Å; K307-F400 HydrophobicContact CB-CE1 3.62Å; K307-F400 HydrophobicContact CB-CZ 3.89Å; K307-F400 HydrophobicContact CG-CE1 3.97Å; K307-F400 HydrophobicContact CG-CE2 4.18Å; K307-F400 HydrophobicContact CG-CZ 3.79Å
308	A	98	Very high	97.4	Very high	7 Å²	7	20.3 Å²	20.3	6%	0.058	11%	0.105	C	C	.	.	H	α-helix	trans	-58.2	-38	177.4	0	0	0	0	0	112.2	Y281 Q304 L305 T312 F319	Y281-A308 HydrophobicContact CE1-CB 4.23Å; Q304-A308 PolarHBondContact O-N 2.89Å; L305-A308 PolarHBondContact O-N 3.37Å; A308-T312 VanDerWaalsContact O-CB 3.32Å; A308-T312 WeakPolarHBondContact O-CB 3.43Å; A308-T312 PolarHBondContact O-N 2.91Å; A308-T312 PolarHBondContact O-OG1 3.41Å; A308-F319 HydrophobicContact CB-CE2 3.95Å; A308-F319 HydrophobicContact CB-CZ 4.22Å
309	F	98.2	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-48.3	176	177.8	-156.7	0	0	0	112.4	F40 L305 I306 K307 T312 V313 F319 W345 L346 I353	F40-F309 HydrophobicContact CB-CE1 4.45Å; F40-F309 HydrophobicContact CB-CE2 3.98Å; F40-F309 HydrophobicContact CB-CZ 3.62Å; F40-F309 HydrophobicContact CD2-CE2 4.41Å; F40-F309 HydrophobicContact CD2-CZ 4.29Å; F40-F309 HydrophobicContact CG-CE1 4.35Å; F40-F309 HydrophobicContact CG-CE2 4.42Å; F40-F309 AromaticContact CG-CZ 3.97Å; F40-F309 HydrophobicContact CG-CZ 3.97Å; L305-F309 VanDerWaalsContact O-CB 3.31Å; L305-F309 WeakPolarHBondContact O-CB 3.45Å; L305-F309 PolarHBondContact O-N 2.94Å; I306-F309 WeakPolarHBondContact O-CB 3.35Å; I306-F309 PolarHBondContact O-N 3.43Å; K307-F309 PolarHBondContact O-N 2.84Å; F309-T312 WeakPolarHBondContact O-CB 3.45Å; F309-T312 PolarHBondContact O-N 2.91Å; F309-V313 HydrophobicContact CD2-CG2 3.69Å; F309-V313 HydrophobicContact CE2-CG2 3.41Å; F309-V313 VanDerWaalsContact CE2-CG2 3.41Å; F309-V313 HydrophobicContact CZ-CG2 4.4Å; F309-V313 WeakPolarHBondContact O-CG2 3.45Å; F309-V313 PolarHBondContact O-N 3.48Å; F309-F319 HydrophobicContact CB-CB 4.47Å; F309-F319 HydrophobicContact CB-CD1 3.76Å; F309-F319 HydrophobicContact CB-CD2 4.44Å; F309-F319 HydrophobicContact CB-CE1 4.02Å; F309-F319 HydrophobicContact CB-CG 3.99Å; F309-F319 HydrophobicContact CB-CZ 4.47Å; F309-F319 HydrophobicContact CD2-CB 3.38Å; F309-F319 AromaticContact CD2-CD1 3.97Å; F309-F319 HydrophobicContact CD2-CD1 3.97Å; F309-F319 AromaticContact CD2-CG 3.84Å; F309-F319 HydrophobicContact CD2-CG 3.84Å; F309-F319 HydrophobicContact CE2-CB 3.91Å; F309-F319 HydrophobicContact CG-CB 4.22Å; F309-F319 AromaticContact CG-CD1 3.96Å; F309-F319 HydrophobicContact CG-CD1 3.96Å; F309-F319 HydrophobicContact CG-CG 4.2Å; F309-W345 AromaticContact CD1-CZ3 3.98Å; F309-W345 HydrophobicContact CD1-CZ3 3.98Å; F309-W345 AromaticContact CE1-CZ3 3.96Å; F309-W345 HydrophobicContact CE1-CZ3 3.96Å; F309-L346 HydrophobicContact CE1-CD1 4.32Å; F309-L346 HydrophobicContact CE1-CD2 4.08Å; F309-I353 HydrophobicContact CE1-CG2 4.05Å; F309-I353 HydrophobicContact CE2-CG2 3.98Å; F309-I353 HydrophobicContact CZ-CD1 4.42Å; F309-I353 HydrophobicContact CZ-CG1 4.48Å; F309-I353 HydrophobicContact CZ-CG2 3.33Å
310	I	98.1	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.1	-45.1	179.6	-72.2	160.5	0	0	0	111.3	I306 K307 T312 V313 S314 W345 I353 W371 F398 F400 C457	I306-I310 HydrophobicContact CG2-CD1 3.61Å; I306-I310 HydrophobicContact CG2-CG1 4.41Å; I306-I310 WeakPolarHBondContact O-CD1 3.23Å; I306-I310 WeakPolarHBondContact O-CG1 3.48Å; I306-I310 PolarHBondContact O-N 3.32Å; K307-I310 PolarHBondContact O-N 3.48Å; I310-T312 VanDerWaalsContact C-N 3.26Å; I310-T312 PolarHBondContact O-N 3.4Å; I310-V313 PolarHBondContact O-N 3.04Å; I310-S314 VanDerWaalsContact O-CB 3.25Å; I310-S314 WeakPolarHBondContact O-CB 3.29Å; I310-S314 PolarHBondContact O-N 2.91Å; I310-S314 PolarHBondContact O-OG 3.04Å; I310-W345 HydrophobicContact CD1-CH2 3.77Å; I310-W345 HydrophobicContact CD1-CZ2 3.68Å; I310-W345 HydrophobicContact CG1-CH2 3.77Å; I310-W345 HydrophobicContact CG1-CZ2 4.19Å; I310-I353 HydrophobicContact CG1-CD1 4.37Å; I310-W371 HydrophobicContact CG2-CB 3.68Å; I310-W371 HydrophobicContact CG2-CG 4.15Å; I310-F398 HydrophobicContact CD1-CB 4.19Å; I310-F398 HydrophobicContact CD1-CD1 3.58Å; I310-F398 HydrophobicContact CD1-CE1 4.3Å; I310-F398 HydrophobicContact CD1-CG 4.13Å; I310-F398 HydrophobicContact CG1-CD1 3.71Å; I310-F398 HydrophobicContact CG1-CE1 4.06Å; I310-F398 HydrophobicContact CG1-CG 4.2Å; I310-F398 HydrophobicContact CG2-CB 3.68Å; I310-F398 HydrophobicContact CG2-CD1 4.04Å; I310-F398 HydrophobicContact CG2-CD2 3.94Å; I310-F398 HydrophobicContact CG2-CG 3.63Å; I310-F400 HydrophobicContact CB-CZ 4.17Å; I310-F400 HydrophobicContact CD1-CE1 3.84Å; I310-F400 HydrophobicContact CD1-CZ 3.54Å; I310-F400 HydrophobicContact CG1-CZ 4.48Å; I310-F400 HydrophobicContact CG2-CZ 4.27Å; I310-C457 WeakPolarHBondContact CD1-SG 3.42Å
311	E	98.1	Very high	97.5	Very high	22 Å²	22	17.1 Å²	17.1	10%	0.103	9%	0.09	C	C	.	.	H	α-helix	trans	-55.4	-45.9	175.4	-69.7	176.8	177.1	0	0	110.9	N268 H270 K307 S314 C315 W371	N268-E311 PolarHBondContact ND2-OE2 3.41Å; H270-E311 IonicContact CE1-OE2 3.87Å; H270-E311 PolarHBondContact CE1-OE2 3.33Å; H270-E311 IonicContact ND1-OE2 2.69Å; H270-E311 PolarHBondContact ND1-OE2 3.09Å; K307-E311 WeakPolarHBondContact CE-OE1 3.27Å; K307-E311 VanDerWaalsContact O-CG 3.3Å; K307-E311 WeakPolarHBondContact O-CG 3.36Å; K307-E311 PolarHBondContact O-N 3.06Å; E311-S314 PolarHBondContact O-N 3.23Å; E311-C315 WeakPolarHBondContact O-CB 3.33Å; E311-C315 PolarHBondContact O-N 3.44Å; E311-C315 VanDerWaalsContact O-N 3.09Å; E311-C315 PolarHBondContact O-SG 2.97Å; E311-C315 VanDerWaalsContact O-SG 3.42Å; E311-W371 HydrophobicContact CB-CZ2 4.4Å; E311-W371 HydrophobicContact CG-CD2 4.12Å; E311-W371 HydrophobicContact CG-CH2 4.18Å; E311-W371 HydrophobicContact CG-CZ2 3.61Å
312	T	98.4	Very high	97.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.9	-53.2	178.4	-60.5	0	0	0	0	111.6	W277 N279 A308 F309 I310 S314 C315 G316 G317 N318 F319	W277-T312 HydrophobicContact CH2-CG2 3.71Å; W277-T312 HydrophobicContact CZ2-CG2 4.28Å; W277-T312 WeakPolarHBondContact CZ2-O 3.36Å; W277-T312 HydrophobicContact CZ3-CG2 3.96Å; N279-T312 HydrophobicContact CB-CG2 3.68Å; N279-T312 PolarHBondContact ND2-OG1 3.09Å; A308-T312 VanDerWaalsContact O-CB 3.32Å; A308-T312 WeakPolarHBondContact O-CB 3.43Å; A308-T312 PolarHBondContact O-N 2.91Å; A308-T312 PolarHBondContact O-OG1 3.41Å; F309-T312 WeakPolarHBondContact O-CB 3.45Å; F309-T312 PolarHBondContact O-N 2.91Å; I310-T312 VanDerWaalsContact C-N 3.26Å; I310-T312 PolarHBondContact O-N 3.4Å; T312-S314 PolarHBondContact O-N 3.46Å; T312-C315 CarbonylContact O-C 3.56Å; T312-C315 PolarHBondContact O-N 2.99Å; T312-G316 PolarHBondContact O-N 3.48Å; T312-G317 WeakPolarHBondContact O-CA 3.14Å; T312-G317 PolarHBondContact O-N 3.11Å; T312-N318 VanDerWaalsContact CG2-O 3.26Å; T312-N318 WeakPolarHBondContact CG2-O 3.48Å; T312-F319 HydrophobicContact CG2-CB 4.15Å; T312-F319 HydrophobicContact CG2-CD2 4.46Å
313	V	98.1	Very high	97.8	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-66.8	-39.5	-177.6	175.9	0	0	0	0	111.4	K39 F309 I310 C315 G316 I353 T373	K39-V313 HydrophobicContact CB-CG2 4.1Å; K39-V313 HydrophobicContact CD-CG1 4.2Å; K39-V313 HydrophobicContact CG-CG1 4.46Å; F309-V313 HydrophobicContact CD2-CG2 3.69Å; F309-V313 HydrophobicContact CE2-CG2 3.41Å; F309-V313 VanDerWaalsContact CE2-CG2 3.41Å; F309-V313 HydrophobicContact CZ-CG2 4.4Å; F309-V313 WeakPolarHBondContact O-CG2 3.45Å; F309-V313 PolarHBondContact O-N 3.48Å; I310-V313 PolarHBondContact O-N 3.04Å; V313-C315 PolarHBondContact O-N 2.97Å; V313-G316 PolarHBondContact O-N 3.46Å; V313-I353 HydrophobicContact CB-CD1 4.39Å; V313-I353 HydrophobicContact CG1-CD1 4.36Å; V313-I353 HydrophobicContact CG2-CD1 4.4Å; V313-T373 HydrophobicContact CG1-CG2 3.85Å
314	S	98	Very high	98	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.7	-29.1	178.3	-54.8	0	0	0	0	111.6	I310 E311 T312 P358 Q362 Y372	I310-S314 VanDerWaalsContact O-CB 3.25Å; I310-S314 WeakPolarHBondContact O-CB 3.29Å; I310-S314 PolarHBondContact O-N 2.91Å; I310-S314 PolarHBondContact O-OG 3.04Å; E311-S314 PolarHBondContact O-N 3.23Å; T312-S314 PolarHBondContact O-N 3.46Å; S314-P358 VanDerWaalsContact O-CB 3.31Å; S314-P358 WeakPolarHBondContact O-CB 3.31Å; S314-Q362 WeakPolarHBondContact O-CG 3.47Å; S314-Y372 WeakPolarHBondContact CB-O 3.3Å; S314-Y372 PolarHBondContact OG-O 3.07Å
315	C	97.9	Very high	98.1	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	13.6	176.9	-64.4	0	0	0	0	114	H270 T271 Q273 W277 E311 T312 V313	H270-C315 VanDerWaalsContact C-SG 3.56Å; T271-C315 PolarHBondContact N-SG 3.48Å; T271-C315 VanDerWaalsContact N-SG 3.44Å; T271-C315 WeakPolarHBondContact O-CB 3.47Å; Q273-C315 PolarHBondContact N-O 3.15Å; W277-C315 HydrophobicContact CZ2-CB 3.78Å; W277-C315 PolarHBondContact NE1-O 2.92Å; E311-C315 WeakPolarHBondContact O-CB 3.33Å; E311-C315 PolarHBondContact O-N 3.44Å; E311-C315 VanDerWaalsContact O-N 3.09Å; E311-C315 PolarHBondContact O-SG 2.97Å; E311-C315 VanDerWaalsContact O-SG 3.42Å; T312-C315 CarbonylContact O-C 3.56Å; T312-C315 PolarHBondContact O-N 2.99Å; V313-C315 PolarHBondContact O-N 2.97Å
316	G	95.8	Very high	98.1	Very high	11 Å²	11	5.1 Å²	5.1	11%	0.113	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	0.9	172.2	0	0	0	0	0	115.4	K276 T312 V313 P358	K276-G316 WeakPolarHBondContact CD-O 3.37Å; K276-G316 PolarHBondContact NZ-O 3.43Å; T312-G316 PolarHBondContact O-N 3.48Å; V313-G316 PolarHBondContact O-N 3.46Å; G316-P358 VanDerWaalsContact CA-CG 3.41Å
317	G	98	Very high	98.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.			trans	-80.3	167.9	-178	0	0	0	0	0	113.9	W277 T312	W277-G317 CarbonylContact O-C 3.55Å; W277-G317 VanDerWaalsContact O-CA 3.25Å; W277-G317 WeakPolarHBondContact O-CA 3.32Å; T312-G317 WeakPolarHBondContact O-CA 3.14Å; T312-G317 PolarHBondContact O-N 3.11Å
318	N	98.7	Very high	98.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150.3	156.1	-76	-0.4	0	0	0	109.7	F35 K39 Y115 K276 W277 E278 N279 T312	F35-N318 WeakPolarHBondContact CE2-ND2 3.31Å; F35-N318 WeakPolarHBondContact CZ-ND2 3.37Å; F35-N318 PolarHBondContact O-ND2 3.35Å; K39-N318 WeakPolarHBondContact CA-OD1 3.44Å; K39-N318 CarbonylContact O-C 3.52Å; K39-N318 WeakPolarHBondContact O-CA 3.34Å; Y115-N318 WeakPolarHBondContact OH-CB 3.41Å; K276-N318 VanDerWaalsContact CE-CG 3.49Å; K276-N318 WeakPolarHBondContact CE-OD1 3.46Å; K276-N318 PolarHBondContact NZ-OD1 3.42Å; W277-N318 PolarHBondContact O-N 3.32Å; E278-N318 CarbonylContact C-O 3.58Å; E278-N318 VanDerWaalsContact CA-O 3.28Å; E278-N318 WeakPolarHBondContact CA-O 3.26Å; E278-N318 HydrophobicContact CG-CB 4.24Å; N279-N318 PolarHBondContact N-O 3.33Å; T312-N318 VanDerWaalsContact CG2-O 3.26Å; T312-N318 WeakPolarHBondContact CG2-O 3.48Å
319	F	98.8	Very high	98.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.7	176.7	-169.9	-111.8	0	0	0	109.9	K39 F40 G41 N279 Y281 A308 F309 T312 L321	K39-F319 PolarHBondContact O-N 2.92Å; F40-F319 WeakPolarHBondContact CA-O 3.47Å; F40-F319 HydrophobicContact CD2-CB 4.45Å; F40-F319 AromaticContact CD2-CD1 3.92Å; F40-F319 HydrophobicContact CD2-CD1 3.92Å; F40-F319 WeakPolarHBondContact CD2-O 3.31Å; F40-F319 AromaticContact CE2-CD1 3.85Å; F40-F319 HydrophobicContact CE2-CD1 3.85Å; F40-F319 HydrophobicContact CE2-CE1 4.41Å; G41-F319 PolarHBondContact N-O 2.97Å; N279-F319 HydrophobicContact CB-CD2 4.03Å; Y281-F319 AromaticContact CD1-CE2 4Å; Y281-F319 HydrophobicContact CD1-CE2 4Å; Y281-F319 AromaticContact CD1-CZ 3.67Å; Y281-F319 HydrophobicContact CD1-CZ 3.67Å; Y281-F319 HydrophobicContact CD2-CE2 4.36Å; Y281-F319 AromaticContact CG-CE2 3.73Å; Y281-F319 HydrophobicContact CG-CE2 3.73Å; Y281-F319 AromaticContact CG-CZ 3.85Å; Y281-F319 HydrophobicContact CG-CZ 3.85Å; A308-F319 HydrophobicContact CB-CE2 3.95Å; A308-F319 HydrophobicContact CB-CZ 4.22Å; F309-F319 HydrophobicContact CB-CB 4.47Å; F309-F319 HydrophobicContact CB-CD1 3.76Å; F309-F319 HydrophobicContact CB-CD2 4.44Å; F309-F319 HydrophobicContact CB-CE1 4.02Å; F309-F319 HydrophobicContact CB-CG 3.99Å; F309-F319 HydrophobicContact CB-CZ 4.47Å; F309-F319 HydrophobicContact CD2-CB 3.38Å; F309-F319 AromaticContact CD2-CD1 3.97Å; F309-F319 HydrophobicContact CD2-CD1 3.97Å; F309-F319 AromaticContact CD2-CG 3.84Å; F309-F319 HydrophobicContact CD2-CG 3.84Å; F309-F319 HydrophobicContact CE2-CB 3.91Å; F309-F319 HydrophobicContact CG-CB 4.22Å; F309-F319 AromaticContact CG-CD1 3.96Å; F309-F319 HydrophobicContact CG-CD1 3.96Å; F309-F319 HydrophobicContact CG-CG 4.2Å; T312-F319 HydrophobicContact CG2-CB 4.15Å; T312-F319 HydrophobicContact CG2-CD2 4.46Å; F319-L321 HydrophobicContact CD1-CB 4.21Å; F319-L321 HydrophobicContact CE1-CB 3.84Å; F319-L321 HydrophobicContact CE1-CD1 3.98Å; F319-L321 HydrophobicContact CE1-CD2 4.26Å; F319-L321 HydrophobicContact CE1-CG 4.25Å; F319-L321 HydrophobicContact CZ-CD1 4.12Å
320	L	98.9	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	100.6	-179.4	176.7	58.3	0	0	0	109.1	G41 I42 F43 Y115 V117 E278 N279 Y281	G41-L320 WeakPolarHBondContact O-CA 3.42Å; I42-L320 VanDerWaalsContact C-CD1 3.48Å; F43-L320 HydrophobicContact CB-CD1 3.77Å; F43-L320 HydrophobicContact CB-CD2 4.27Å; F43-L320 HydrophobicContact CB-CG 3.81Å; F43-L320 HydrophobicContact CD1-CD2 3.5Å; F43-L320 VanDerWaalsContact CD1-CD2 3.5Å; F43-L320 HydrophobicContact CD1-CG 3.79Å; F43-L320 HydrophobicContact CE1-CD2 4.03Å; F43-L320 HydrophobicContact CG-CD1 4.25Å; F43-L320 HydrophobicContact CG-CD2 3.92Å; F43-L320 HydrophobicContact CG-CG 4.01Å; Y115-L320 HydrophobicContact CE2-CD1 3.87Å; V117-L320 HydrophobicContact CG2-CD1 4.23Å; V117-L320 HydrophobicContact CG2-CD2 4.3Å; E278-L320 HydrophobicContact CG-CB 3.75Å; E278-L320 WeakPolarHBondContact OE2-CD2 3.49Å; N279-L320 PolarHBondContact O-N 3.29Å; Y281-L320 PolarHBondContact N-O 3.2Å
321	L	98.8	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.8	-171.2	-176.6	61.6	0	0	0	112.2	F40 G41 I42 F43 Y281 I283 L305 F319 L339 I342	F40-L321 HydrophobicContact CE2-CB 3.82Å; F40-L321 HydrophobicContact CE2-CD2 4.35Å; F40-L321 HydrophobicContact CZ-CB 4.42Å; F40-L321 HydrophobicContact CZ-CD2 4.35Å; G41-L321 PolarHBondContact O-N 3.27Å; I42-L321 CarbonylContact C-O 3.51Å; I42-L321 WeakPolarHBondContact CA-O 3.49Å; I42-L321 HydrophobicContact CD1-CB 4.27Å; F43-L321 PolarHBondContact N-O 2.98Å; Y281-L321 HydrophobicContact CD1-CD1 4.3Å; I283-L321 HydrophobicContact CD1-CD2 4.01Å; I283-L321 HydrophobicContact CD1-CG 4.15Å; I283-L321 HydrophobicContact CG1-CD1 3.68Å; I283-L321 HydrophobicContact CG1-CD2 3.97Å; I283-L321 HydrophobicContact CG1-CG 3.84Å; L305-L321 HydrophobicContact CD1-CD2 4.35Å; L305-L321 HydrophobicContact CD2-CD1 3.78Å; F319-L321 HydrophobicContact CD1-CB 4.21Å; F319-L321 HydrophobicContact CE1-CB 3.84Å; F319-L321 HydrophobicContact CE1-CD1 3.98Å; F319-L321 HydrophobicContact CE1-CD2 4.26Å; F319-L321 HydrophobicContact CE1-CG 4.25Å; F319-L321 HydrophobicContact CZ-CD1 4.12Å; L321-L339 HydrophobicContact CD2-CD2 3.79Å; L321-L339 HydrophobicContact CG-CD2 4.49Å; L321-I342 HydrophobicContact CD2-CD1 3.49Å; L321-I342 VanDerWaalsContact CD2-CD1 3.49Å
322	N	98.8	Very high	98.1	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.016	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141.6	-174.4	-179.2	74.7	0	0	0	114.8	F43 H45 Y281 T282 I283 W288	F43-N322 HydrophobicContact CB-CB 3.87Å; F43-N322 CarbonylContact O-C 3.58Å; F43-N322 VanDerWaalsContact O-CA 3.29Å; F43-N322 WeakPolarHBondContact O-CA 3.4Å; F43-N322 PolarHBondContact O-OD1 2.85Å; H45-N322 PolarHBondContact N-OD1 2.99Å; H45-N322 VanDerWaalsContact N-OD1 3.11Å; H45-N322 PolarHBondContact ND1-OD1 2.84Å; Y281-N322 VanDerWaalsContact O-CB 3.23Å; Y281-N322 WeakPolarHBondContact O-CB 3.31Å; Y281-N322 PolarHBondContact O-N 2.65Å; T282-N322 HydrophobicContact CG2-CB 4Å; I283-N322 PolarHBondContact N-O 2.81Å; W288-N322 WeakPolarHBondContact CA-ND2 3Å; W288-N322 HydrophobicContact CE3-CB 3.64Å; W288-N322 HydrophobicContact CZ3-CB 3.74Å; W288-N322 PolarHBondContact O-ND2 3.28Å
323	V	98.7	Very high	98	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.2	163.7	-63.8	0	0	0	0	111	I42 F43 M44 H45 I283 I331 F335 L339	I42-V323 HydrophobicContact CG2-CG2 4.22Å; F43-V323 WeakPolarHBondContact O-CG2 3.4Å; F43-V323 PolarHBondContact O-N 3.18Å; M44-V323 WeakPolarHBondContact CA-O 3.37Å; M44-V323 HydrophobicContact CB-CG2 4.35Å; M44-V323 HydrophobicContact CE-CG2 4.35Å; H45-V323 PolarHBondContact N-O 2.97Å; H45-V323 VanDerWaalsContact N-O 3.13Å; I283-V323 HydrophobicContact CD1-CG1 3.98Å; V323-I331 HydrophobicContact CB-CD1 4.3Å; V323-I331 HydrophobicContact CG1-CD1 4.07Å; V323-I331 HydrophobicContact CG2-CD1 4.27Å; V323-F335 HydrophobicContact CB-CB 4.38Å; V323-F335 HydrophobicContact CB-CD1 4.23Å; V323-F335 HydrophobicContact CB-CG 4.22Å; V323-F335 HydrophobicContact CG1-CB 3.84Å; V323-F335 HydrophobicContact CG1-CD1 3.99Å; V323-F335 HydrophobicContact CG1-CG 4.06Å; V323-L339 HydrophobicContact CG1-CD1 3.86Å; V323-L339 HydrophobicContact CG1-CG 4.36Å
324	G	97.8	Very high	98	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	9%	0.092	C	C	.	.			trans	-117.1	99	174.4	0	0	0	0	0	111.3	Y290 F335	Y290-G324 WeakPolarHBondContact CB-O 3.5Å; G324-F335 VanDerWaalsContact O-CE2 3.25Å; G324-F335 WeakPolarHBondContact O-CE2 3.31Å
325	P	98.2	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.			trans	-67.3	155.1	175.3	-21	33.3	0	0	0	113.5	M44 W46 F104 Y290 R330	M44-P325 HydrophobicContact CE-CG 3.71Å; M44-P325 HydrophobicContact CG-CG 3.74Å; M44-P325 HydrophobicContact SD-CG 3.77Å; W46-P325 HydrophobicContact CB-CG 4.12Å; W46-P325 HydrophobicContact CD2-CB 4.31Å; W46-P325 HydrophobicContact CG-CB 4Å; W46-P325 HydrophobicContact CG-CG 4.07Å; F104-P325 HydrophobicContact CE1-CG 4.12Å; F104-P325 HydrophobicContact CZ-CB 3.98Å; F104-P325 HydrophobicContact CZ-CG 3.76Å; Y290-P325 WeakPolarHBondContact CB-O 3.25Å; P325-R330 VanDerWaalsContact CA-O 3.29Å; P325-R330 WeakPolarHBondContact CA-O 3.39Å; P325-R330 WeakPolarHBondContact CB-O 3.34Å
326	T	98.4	Very high	98	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.012	11%	0.106	C	C	.	.			trans	-71.8	160.3	173.2	54.7	0	0	0	0	111.7	W46 Y290 D328 G329 R330 L332	W46-T326 PolarHBondContact NE1-O 3.44Å; Y290-T326 HydrophobicContact CD1-CG2 3.94Å; Y290-T326 HydrophobicContact CD2-CG2 4.35Å; Y290-T326 HydrophobicContact CE1-CG2 3.64Å; Y290-T326 HydrophobicContact CE2-CG2 4.12Å; Y290-T326 HydrophobicContact CG-CG2 4.28Å; T326-D328 VanDerWaalsContact CB-OD1 3.27Å; T326-D328 WeakPolarHBondContact CB-OD1 3.47Å; T326-D328 PolarHBondContact O-N 3.37Å; T326-D328 PolarHBondContact OG1-OD1 3.01Å; T326-G329 PolarHBondContact O-N 3.37Å; T326-R330 PolarHBondContact N-O 2.66Å; T326-R330 WeakPolarHBondContact OG1-CB 3.28Å; T326-R330 PolarHBondContact OG1-N 3.19Å; T326-R330 PolarHBondContact OG1-O 2.91Å; T326-L332 HydrophobicContact CG2-CD2 3.77Å; T326-L332 HydrophobicContact CG2-CG 4.15Å
327	H	97.9	Very high	98.1	Very high	57 Å²	57	23 Å²	23	26%	0.264	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.9	175	63.3	-86.9	0	0	0	114.5	S50 V51 M93 K95 C96 G329	S50-H327 PolarHBondContact O-ND1 3.42Å; S50-H327 WeakPolarHBondContact OG-CA 3.44Å; S50-H327 WeakPolarHBondContact OG-CB 3.49Å; V51-H327 HydrophobicContact CB-CB 4.32Å; V51-H327 HydrophobicContact CG2-CB 3.61Å; M93-H327 PolarHBondContact O-CD2 3.47Å; K95-H327 PolarHBondContact N-O 3.1Å; C96-H327 PolarHBondContact N-O 2.99Å; H327-G329 VanDerWaalsContact C-N 3.25Å
328	D	97.9	Very high	98	Very high	16 Å²	16	24.4 Å²	24.4	9%	0.086	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	0.9	173.2	68	10.5	0	0	0	112.8	C96 E97 F98 T326 R330	C96-D328 CarbonylContact C-O 3.55Å; C96-D328 VanDerWaalsContact C-O 3.3Å; C96-D328 WeakPolarHBondContact CA-O 3.36Å; E97-D328 HydrophobicContact CG-CB 4.5Å; E97-D328 PolarHBondContact N-O 2.92Å; E97-D328 WeakPolarHBondContact OE2-CA 3.24Å; E97-D328 VanDerWaalsContact OE2-CB 3.31Å; E97-D328 WeakPolarHBondContact OE2-CB 3.46Å; F98-D328 WeakPolarHBondContact CA-O 3.26Å; F98-D328 WeakPolarHBondContact CB-O 3.45Å; F98-D328 HydrophobicContact CD2-CB 3.98Å; F98-D328 PolarHBondContact N-O 2.97Å; T326-D328 VanDerWaalsContact CB-OD1 3.27Å; T326-D328 WeakPolarHBondContact CB-OD1 3.47Å; T326-D328 PolarHBondContact O-N 3.37Å; T326-D328 PolarHBondContact OG1-OD1 3.01Å; D328-R330 VanDerWaalsContact CG-NE 3.32Å; D328-R330 IonicContact OD1-CZ 3Å; D328-R330 IonicContact OD1-NE 2.78Å; D328-R330 PolarHBondContact OD1-NE 2.97Å; D328-R330 IonicContact OD1-NH2 3.77Å; D328-R330 IonicContact OD2-CZ 2.86Å; D328-R330 VanDerWaalsContact OD2-CZ 3.22Å; D328-R330 IonicContact OD2-NE 3.25Å; D328-R330 PolarHBondContact OD2-NE 3.27Å; D328-R330 IonicContact OD2-NH2 3.59Å; D328-R330 PolarHBondContact OD2-NH2 3Å
329	G	97.8	Very high	98	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.119	C	C	.	.	S	Bend	trans	93.3	17.4	168.4	0	0	0	0	0	116.1	F99 F104 T326 H327	F99-G329 WeakPolarHBondContact CA-O 3.39Å; F104-G329 WeakPolarHBondContact CE2-O 3.17Å; T326-G329 PolarHBondContact O-N 3.37Å; H327-G329 VanDerWaalsContact C-N 3.25Å
330	R	97.7	Very high	97.9	Very high	112 Å²	112	29.2 Å²	29.2	42%	0.423	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-98.4	141.9	-179.8	-60.7	177.4	-70.1	152.8	-3.6	111.1	F98 P325 T326 D328	F98-R330 HydrophobicContact CB-CG 3.59Å; F98-R330 HydrophobicContact CD2-CG 4.35Å; F98-R330 HydrophobicContact CG-CG 4.3Å; P325-R330 VanDerWaalsContact CA-O 3.29Å; P325-R330 WeakPolarHBondContact CA-O 3.39Å; P325-R330 WeakPolarHBondContact CB-O 3.34Å; T326-R330 PolarHBondContact N-O 2.66Å; T326-R330 WeakPolarHBondContact OG1-CB 3.28Å; T326-R330 PolarHBondContact OG1-N 3.19Å; T326-R330 PolarHBondContact OG1-O 2.91Å; D328-R330 VanDerWaalsContact CG-NE 3.32Å; D328-R330 IonicContact OD1-CZ 3Å; D328-R330 IonicContact OD1-NE 2.78Å; D328-R330 PolarHBondContact OD1-NE 2.97Å; D328-R330 IonicContact OD1-NH2 3.77Å; D328-R330 IonicContact OD2-CZ 2.86Å; D328-R330 VanDerWaalsContact OD2-CZ 3.22Å; D328-R330 IonicContact OD2-NE 3.25Å; D328-R330 PolarHBondContact OD2-NE 3.27Å; D328-R330 IonicContact OD2-NH2 3.59Å; D328-R330 PolarHBondContact OD2-NH2 3Å
331	I	97.7	Very high	97.8	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.041	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-82.2	126.1	153.8	-179.8	158.7	0	0	0	107.6	F104 V107 V323 F335 E336 L339	F104-I331 HydrophobicContact CD1-CB 4.38Å; F104-I331 HydrophobicContact CD1-CG2 4.32Å; F104-I331 HydrophobicContact CE1-CB 3.49Å; F104-I331 VanDerWaalsContact CE1-CB 3.49Å; F104-I331 HydrophobicContact CE1-CD1 4.01Å; F104-I331 HydrophobicContact CE1-CG1 4.29Å; F104-I331 HydrophobicContact CE1-CG2 3.85Å; F104-I331 HydrophobicContact CE2-CB 4.43Å; F104-I331 HydrophobicContact CE2-CG2 4.4Å; F104-I331 HydrophobicContact CZ-CB 3.53Å; F104-I331 HydrophobicContact CZ-CG2 3.91Å; V107-I331 HydrophobicContact CG1-CD1 4Å; V107-I331 HydrophobicContact CG2-CG2 4.45Å; V323-I331 HydrophobicContact CB-CD1 4.3Å; V323-I331 HydrophobicContact CG1-CD1 4.07Å; V323-I331 HydrophobicContact CG2-CD1 4.27Å; I331-F335 HydrophobicContact CD1-CB 3.89Å; I331-F335 HydrophobicContact CG1-CB 3.6Å; I331-F335 HydrophobicContact CG1-CD2 4.43Å; I331-F335 HydrophobicContact CG1-CG 4.45Å; I331-E336 HydrophobicContact CB-CG 4.39Å; I331-E336 HydrophobicContact CD1-CG 4.29Å; I331-E336 HydrophobicContact CG1-CG 3.93Å; I331-E336 HydrophobicContact CG2-CG 3.73Å; I331-E336 VanDerWaalsContact CG2-OE1 3.31Å; I331-E336 WeakPolarHBondContact CG2-OE1 3.16Å; I331-L339 HydrophobicContact CD1-CD1 4.19Å
332	L	97.6	Very high	97.7	Very high	27 Å²	27	29.2 Å²	29.2	14%	0.141	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-67	147.6	-180	-68.1	-171.7	0	0	0	111	Y290 T326 I334 F335 E336	Y290-L332 HydrophobicContact CD2-CD1 4.12Å; Y290-L332 HydrophobicContact CE2-CD1 3.36Å; Y290-L332 HydrophobicContact CE2-CG 4.18Å; T326-L332 HydrophobicContact CG2-CD2 3.77Å; T326-L332 HydrophobicContact CG2-CG 4.15Å; L332-I334 HydrophobicContact CB-CG2 3.97Å; L332-I334 PolarHBondContact O-N 2.48Å; L332-F335 HydrophobicContact CB-CD2 3.84Å; L332-F335 HydrophobicContact CB-CE2 4.27Å; L332-F335 HydrophobicContact CG-CD2 4.49Å; L332-F335 WeakPolarHBondContact O-CB 3.28Å; L332-F335 PolarHBondContact O-N 2.95Å; L332-E336 PolarHBondContact O-N 2.7Å; L332-E336 VanDerWaalsContact O-N 3.1Å
333	P	97.4	Very high	97.6	Very high	98 Å²	98	29.3 Å²	29.3	64%	0.636	14%	0.14	S	C	*	.	H	α-helix	trans	-53.2	-29.2	177.5	-29.5	35.8	0	0	0	114.3	E336 E337	P333-E336 PolarHBondContact O-N 3.23Å; P333-E337 VanDerWaalsContact O-CB 3.24Å; P333-E337 WeakPolarHBondContact O-CB 3.39Å; P333-E337 PolarHBondContact O-N 3.2Å
334	I	97.6	Very high	97.4	Very high	33 Å²	33	31.5 Å²	31.5	17%	0.169	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-42.2	175.6	-172	59.2	0	0	0	112	L296 Y299 L332 R338	L296-I334 HydrophobicContact CD1-CD1 3.89Å; Y299-I334 HydrophobicContact CD1-CG1 4.32Å; Y299-I334 HydrophobicContact CD1-CG2 4.37Å; Y299-I334 HydrophobicContact CD2-CG1 4.09Å; Y299-I334 HydrophobicContact CE1-CG2 4.06Å; Y299-I334 HydrophobicContact CE2-CG2 4.35Å; Y299-I334 HydrophobicContact CG-CG1 3.94Å; L332-I334 HydrophobicContact CB-CG2 3.97Å; L332-I334 PolarHBondContact O-N 2.48Å; I334-R338 VanDerWaalsContact O-CG 3.28Å; I334-R338 WeakPolarHBondContact O-CG 3.26Å; I334-R338 PolarHBondContact O-N 3.29Å; I334-R338 VanDerWaalsContact O-N 3.11Å
335	F	98.4	Very high	97.3	Very high	3 Å²	3	32 Å²	32	1%	0.013	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-44.4	174.5	-64.2	-61.3	0	0	0	110.5	I283 Y299 V323 G324 I331 L332 E337 R338 L339	I283-F335 HydrophobicContact CB-CD1 3.86Å; I283-F335 HydrophobicContact CB-CE1 3.96Å; I283-F335 HydrophobicContact CD1-CD1 3.94Å; I283-F335 HydrophobicContact CG1-CD1 4.46Å; I283-F335 HydrophobicContact CG2-CD1 3.89Å; I283-F335 HydrophobicContact CG2-CE1 4.13Å; Y299-F335 HydrophobicContact CD1-CE1 4.18Å; Y299-F335 HydrophobicContact CD1-CZ 4.49Å; Y299-F335 AromaticContact CE1-CE1 3.89Å; Y299-F335 HydrophobicContact CE1-CE1 3.89Å; Y299-F335 HydrophobicContact CE1-CE2 4.47Å; Y299-F335 AromaticContact CE1-CZ 3.74Å; Y299-F335 HydrophobicContact CE1-CZ 3.74Å; V323-F335 HydrophobicContact CB-CB 4.38Å; V323-F335 HydrophobicContact CB-CD1 4.23Å; V323-F335 HydrophobicContact CB-CG 4.22Å; V323-F335 HydrophobicContact CG1-CB 3.84Å; V323-F335 HydrophobicContact CG1-CD1 3.99Å; V323-F335 HydrophobicContact CG1-CG 4.06Å; G324-F335 VanDerWaalsContact O-CE2 3.25Å; G324-F335 WeakPolarHBondContact O-CE2 3.31Å; I331-F335 HydrophobicContact CD1-CB 3.89Å; I331-F335 HydrophobicContact CG1-CB 3.6Å; I331-F335 HydrophobicContact CG1-CD2 4.43Å; I331-F335 HydrophobicContact CG1-CG 4.45Å; L332-F335 HydrophobicContact CB-CD2 3.84Å; L332-F335 HydrophobicContact CB-CE2 4.27Å; L332-F335 HydrophobicContact CG-CD2 4.49Å; L332-F335 WeakPolarHBondContact O-CB 3.28Å; L332-F335 PolarHBondContact O-N 2.95Å; F335-E337 VanDerWaalsContact C-N 3.32Å; F335-E337 PolarHBondContact O-N 2.7Å; F335-R338 PolarHBondContact O-N 3Å; F335-L339 WeakPolarHBondContact O-CB 3.35Å; F335-L339 VanDerWaalsContact O-CG 3.26Å; F335-L339 WeakPolarHBondContact O-CG 3.47Å; F335-L339 PolarHBondContact O-N 3.37Å
336	E	97.8	Very high	97.1	Very high	58 Å²	58	32.6 Å²	32.6	27%	0.271	15%	0.154	S	C	.	.	H	α-helix	trans	-58.1	-44.5	176.7	-66.2	-163.3	-160.4	0	0	112	H103 V107 I331 L332 P333 L339 Y340	H103-E336 IonicContact CD2-OE1 3.77Å; H103-E336 IonicContact CE1-OE1 3.11Å; H103-E336 IonicContact CE1-OE2 2.65Å; H103-E336 IonicContact NE2-OE1 3.35Å; H103-E336 PolarHBondContact NE2-OE1 3.17Å; H103-E336 IonicContact NE2-OE2 4Å; V107-E336 HydrophobicContact CG1-CB 4.49Å; V107-E336 HydrophobicContact CG1-CG 4.13Å; V107-E336 HydrophobicContact CG2-CG 3.98Å; I331-E336 HydrophobicContact CB-CG 4.39Å; I331-E336 HydrophobicContact CD1-CG 4.29Å; I331-E336 HydrophobicContact CG1-CG 3.93Å; I331-E336 HydrophobicContact CG2-CG 3.73Å; I331-E336 VanDerWaalsContact CG2-OE1 3.31Å; I331-E336 WeakPolarHBondContact CG2-OE1 3.16Å; L332-E336 PolarHBondContact O-N 2.7Å; L332-E336 VanDerWaalsContact O-N 3.1Å; P333-E336 PolarHBondContact O-N 3.23Å; E336-L339 PolarHBondContact O-N 3.38Å; E336-Y340 WeakPolarHBondContact O-CB 3.27Å; E336-Y340 PolarHBondContact O-N 3.44Å
337	E	96.9	Very high	96.9	Very high	62 Å²	62	38.3 Å²	38.3	29%	0.29	18%	0.181	S	C	.	.	H	α-helix	trans	-64.1	-45.9	-179.7	-172.5	-72.6	146.1	0	0	111.1	P333 F335 L339 Y340 S341	P333-E337 VanDerWaalsContact O-CB 3.24Å; P333-E337 WeakPolarHBondContact O-CB 3.39Å; P333-E337 PolarHBondContact O-N 3.2Å; F335-E337 VanDerWaalsContact C-N 3.32Å; F335-E337 PolarHBondContact O-N 2.7Å; E337-L339 PolarHBondContact O-N 2.85Å; E337-Y340 PolarHBondContact O-N 2.89Å; E337-S341 VanDerWaalsContact O-CB 3.27Å; E337-S341 WeakPolarHBondContact O-CB 3.46Å; E337-S341 PolarHBondContact O-N 3.15Å; E337-S341 PolarHBondContact O-OG 3.43Å; E337-S341 PolarHBondContact OE1-OG 3.11Å
338	R	97.3	Very high	96.5	Very high	30 Å²	30	37.2 Å²	37.2	11%	0.113	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-43.9	178.3	-67.1	-58.5	-172.4	-99.6	-3	111.9	I283 L300 L305 I334 F335 S341 I342	I283-R338 HydrophobicContact CD1-CB 3.99Å; I283-R338 HydrophobicContact CG2-CB 4.29Å; I283-R338 HydrophobicContact CG2-CG 3.91Å; L300-R338 PolarHBondContact O-NE 2.99Å; L305-R338 HydrophobicContact CD1-CB 4.02Å; L305-R338 HydrophobicContact CD1-CG 4.27Å; I334-R338 VanDerWaalsContact O-CG 3.28Å; I334-R338 WeakPolarHBondContact O-CG 3.26Å; I334-R338 PolarHBondContact O-N 3.29Å; I334-R338 VanDerWaalsContact O-N 3.11Å; F335-R338 PolarHBondContact O-N 3Å; R338-S341 PolarHBondContact O-N 2.77Å; R338-I342 WeakPolarHBondContact O-CG1 3.44Å; R338-I342 PolarHBondContact O-N 3.21Å; R338-I342 VanDerWaalsContact O-N 3.12Å
339	L	98.2	Very high	96.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-46.2	176.1	-70.7	-170.8	0	0	0	111.8	I42 V107 S111 I283 L321 V323 I331 F335 E336 E337 S341 I342 G343	I42-L339 HydrophobicContact CD1-CD1 4.33Å; I42-L339 HydrophobicContact CD1-CD2 3.45Å; I42-L339 VanDerWaalsContact CD1-CD2 3.45Å; V107-L339 HydrophobicContact CG1-CB 4.46Å; V107-L339 HydrophobicContact CG1-CD1 3.87Å; S111-L339 VanDerWaalsContact CA-O 3.27Å; S111-L339 WeakPolarHBondContact CA-O 3.38Å; S111-L339 WeakPolarHBondContact CB-O 3.23Å; I283-L339 HydrophobicContact CD1-CD2 4.06Å; I283-L339 HydrophobicContact CD1-CG 4.29Å; L321-L339 HydrophobicContact CD2-CD2 3.79Å; L321-L339 HydrophobicContact CG-CD2 4.49Å; V323-L339 HydrophobicContact CG1-CD1 3.86Å; V323-L339 HydrophobicContact CG1-CG 4.36Å; I331-L339 HydrophobicContact CD1-CD1 4.19Å; F335-L339 WeakPolarHBondContact O-CB 3.35Å; F335-L339 VanDerWaalsContact O-CG 3.26Å; F335-L339 WeakPolarHBondContact O-CG 3.47Å; F335-L339 PolarHBondContact O-N 3.37Å; E336-L339 PolarHBondContact O-N 3.38Å; E337-L339 PolarHBondContact O-N 2.85Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.12Å; L339-I342 PolarHBondContact O-N 3.12Å; L339-G343 PolarHBondContact O-N 3.03Å
340	Y	97.2	Very high	96.2	Very high	100 Å²	100	37.1 Å²	37.1	39%	0.392	18%	0.178	S	C	.	.	H	α-helix	trans	-61.7	-40.7	177.2	177.4	-99.5	0	0	0	112	E336 E337 G343 K344	E336-Y340 WeakPolarHBondContact O-CB 3.27Å; E336-Y340 PolarHBondContact O-N 3.44Å; E337-Y340 PolarHBondContact O-N 2.89Å; Y340-G343 PolarHBondContact O-N 3.23Å; Y340-K344 HydrophobicContact CD1-CG 4.08Å; Y340-K344 HydrophobicContact CE1-CD 4.47Å; Y340-K344 HydrophobicContact CE1-CG 3.63Å; Y340-K344 HydrophobicContact CE2-CD 4.36Å; Y340-K344 HydrophobicContact CE2-CG 4.13Å; Y340-K344 WeakPolarHBondContact O-CG 3.29Å; Y340-K344 PolarHBondContact O-N 3.23Å; Y340-K344 WeakPolarHBondContact OH-CE 3.41Å
341	S	96	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-41.6	177.9	-80.2	0	0	0	0	112.3	E337 R338 L339 K344 W345	E337-S341 VanDerWaalsContact O-CB 3.27Å; E337-S341 WeakPolarHBondContact O-CB 3.46Å; E337-S341 PolarHBondContact O-N 3.15Å; E337-S341 PolarHBondContact O-OG 3.43Å; E337-S341 PolarHBondContact OE1-OG 3.11Å; R338-S341 PolarHBondContact O-N 2.77Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.12Å; S341-K344 PolarHBondContact O-N 3.3Å; S341-W345 PolarHBondContact O-N 2.84Å; S341-W345 VanDerWaalsContact O-N 3.09Å
342	I	96.9	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-46.1	171	-67	165.4	0	0	0	110.7	F40 L305 I306 L321 R338 L339 K344 W345 L346	F40-I342 HydrophobicContact CE1-CG2 3.91Å; F40-I342 HydrophobicContact CZ-CD1 4.38Å; F40-I342 HydrophobicContact CZ-CG2 4.03Å; L305-I342 HydrophobicContact CB-CD1 4.17Å; L305-I342 HydrophobicContact CD1-CD1 4.39Å; I306-I342 HydrophobicContact CD1-CG1 4.44Å; I306-I342 HydrophobicContact CG1-CG1 3.96Å; L321-I342 HydrophobicContact CD2-CD1 3.49Å; L321-I342 VanDerWaalsContact CD2-CD1 3.49Å; R338-I342 WeakPolarHBondContact O-CG1 3.44Å; R338-I342 PolarHBondContact O-N 3.21Å; R338-I342 VanDerWaalsContact O-N 3.12Å; L339-I342 PolarHBondContact O-N 3.12Å; I342-K344 VanDerWaalsContact C-N 3.33Å; I342-K344 PolarHBondContact O-N 2.95Å; I342-W345 WeakPolarHBondContact O-CB 3.37Å; I342-W345 PolarHBondContact O-N 2.95Å; I342-L346 HydrophobicContact CG2-CD1 3.89Å; I342-L346 HydrophobicContact CG2-CG 4.38Å; I342-L346 WeakPolarHBondContact O-CG 3.31Å; I342-L346 PolarHBondContact O-N 3.27Å
343	G	96.5	Very high	95.8	Very high	5 Å²	5	33 Å²	33	5%	0.052	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-39.4	179.2	0	0	0	0	0	113.5	K110 S111 L339 Y340 L346 E347	K110-G343 WeakPolarHBondContact O-CA 3.31Å; S111-G343 WeakPolarHBondContact O-CA 3.15Å; S111-G343 PolarHBondContact O-N 3.23Å; L339-G343 PolarHBondContact O-N 3.03Å; Y340-G343 PolarHBondContact O-N 3.23Å; G343-L346 PolarHBondContact O-N 3.02Å; G343-E347 PolarHBondContact O-N 3.26Å; G343-E347 VanDerWaalsContact O-N 3.08Å
344	K	94.6	Very high	95.7	Very high	49 Å²	49	29.1 Å²	29.1	21%	0.213	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-40.7	174.1	-77.1	-51.6	-169.5	-174.2	0	113.1	Y340 S341 I342 L346 E347	Y340-K344 HydrophobicContact CD1-CG 4.08Å; Y340-K344 HydrophobicContact CE1-CD 4.47Å; Y340-K344 HydrophobicContact CE1-CG 3.63Å; Y340-K344 HydrophobicContact CE2-CD 4.36Å; Y340-K344 HydrophobicContact CE2-CG 4.13Å; Y340-K344 WeakPolarHBondContact O-CG 3.29Å; Y340-K344 PolarHBondContact O-N 3.23Å; Y340-K344 WeakPolarHBondContact OH-CE 3.41Å; S341-K344 PolarHBondContact O-N 3.3Å; I342-K344 VanDerWaalsContact C-N 3.33Å; I342-K344 PolarHBondContact O-N 2.95Å; K344-L346 VanDerWaalsContact C-N 3.34Å; K344-E347 WeakPolarHBondContact CD-OE2 3.4Å; K344-E347 IonicContact NZ-OE1 3.9Å; K344-E347 PolarHBondContact NZ-OE1 3.3Å; K344-E347 IonicContact NZ-OE2 3.51Å; K344-E347 PolarHBondContact NZ-OE2 3.35Å; K344-E347 PolarHBondContact O-N 2.89Å
345	W	94.6	Very high	95.5	Very high	11 Å²	11	28.4 Å²	28.4	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-61.4	-44.2	172.1	175.1	77.1	0	0	0	111.4	I306 F309 I310 S341 I342 E347 D348 T349 I353 F398 C457 V459	I306-W345 HydrophobicContact CD1-CB 4.01Å; I306-W345 HydrophobicContact CD1-CD2 4.17Å; I306-W345 HydrophobicContact CD1-CE3 4.42Å; I306-W345 HydrophobicContact CD1-CG 3.97Å; I306-W345 HydrophobicContact CG1-CD2 4.45Å; I306-W345 HydrophobicContact CG1-CE3 4.3Å; I306-W345 HydrophobicContact CG2-CD2 4.02Å; I306-W345 HydrophobicContact CG2-CE3 4.15Å; I306-W345 HydrophobicContact CG2-CH2 4.1Å; I306-W345 HydrophobicContact CG2-CZ2 3.96Å; I306-W345 HydrophobicContact CG2-CZ3 4.19Å; F309-W345 AromaticContact CD1-CZ3 3.98Å; F309-W345 HydrophobicContact CD1-CZ3 3.98Å; F309-W345 AromaticContact CE1-CZ3 3.96Å; F309-W345 HydrophobicContact CE1-CZ3 3.96Å; I310-W345 HydrophobicContact CD1-CH2 3.77Å; I310-W345 HydrophobicContact CD1-CZ2 3.68Å; I310-W345 HydrophobicContact CG1-CH2 3.77Å; I310-W345 HydrophobicContact CG1-CZ2 4.19Å; S341-W345 PolarHBondContact O-N 2.84Å; S341-W345 VanDerWaalsContact O-N 3.09Å; I342-W345 WeakPolarHBondContact O-CB 3.37Å; I342-W345 PolarHBondContact O-N 2.95Å; W345-E347 VanDerWaalsContact C-N 3.27Å; W345-E347 PolarHBondContact O-N 2.76Å; W345-D348 PolarHBondContact O-N 2.81Å; W345-T349 VanDerWaalsContact CE2-OG1 3.3Å; W345-T349 HydrophobicContact CZ2-CG2 4.3Å; W345-T349 WeakPolarHBondContact CZ2-OG1 3.49Å; W345-T349 PolarHBondContact O-N 2.9Å; W345-T349 VanDerWaalsContact O-N 3.16Å; W345-T349 PolarHBondContact O-OG1 3.43Å; W345-I353 HydrophobicContact CH2-CD1 3.98Å; W345-I353 HydrophobicContact CH2-CG1 3.85Å; W345-I353 HydrophobicContact CZ3-CD1 4.44Å; W345-I353 HydrophobicContact CZ3-CG1 4.07Å; W345-F398 HydrophobicContact CH2-CD1 4.33Å; W345-F398 AromaticContact CH2-CE1 3.95Å; W345-F398 HydrophobicContact CH2-CE1 3.95Å; W345-F398 HydrophobicContact CZ2-CD1 4.02Å; W345-F398 AromaticContact CZ2-CE1 3.96Å; W345-F398 HydrophobicContact CZ2-CE1 3.96Å; W345-C457 PolarHBondContact NE1-O 3.47Å; W345-C457 VanDerWaalsContact NE1-O 3.13Å; W345-V459 HydrophobicContact CZ2-CG2 4.31Å
346	L	95.5	Very high	95.4	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.068	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-20.2	178.2	-73.4	171.3	0	0	0	114.8	F40 F309 I342 G343 K344 D348 G350 I353 F354	F40-L346 HydrophobicContact CD1-CD1 4.14Å; F40-L346 HydrophobicContact CE1-CD1 4.5Å; F309-L346 HydrophobicContact CE1-CD1 4.32Å; F309-L346 HydrophobicContact CE1-CD2 4.08Å; I342-L346 HydrophobicContact CG2-CD1 3.89Å; I342-L346 HydrophobicContact CG2-CG 4.38Å; I342-L346 WeakPolarHBondContact O-CG 3.31Å; I342-L346 PolarHBondContact O-N 3.27Å; G343-L346 PolarHBondContact O-N 3.02Å; K344-L346 VanDerWaalsContact C-N 3.34Å; L346-D348 VanDerWaalsContact C-N 3.27Å; L346-D348 PolarHBondContact O-N 3.4Å; L346-G350 VanDerWaalsContact O-CA 3.27Å; L346-G350 WeakPolarHBondContact O-CA 3.5Å; L346-G350 PolarHBondContact O-N 3.26Å; L346-I353 HydrophobicContact CD2-CB 4.14Å; L346-I353 HydrophobicContact CD2-CG1 4.03Å; L346-I353 HydrophobicContact CD2-CG2 4.21Å; L346-F354 HydrophobicContact CD1-CE2 4.29Å; L346-F354 HydrophobicContact CD1-CZ 3.98Å; L346-F354 HydrophobicContact CD2-CE2 4.06Å; L346-F354 HydrophobicContact CD2-CZ 4.3Å
347	E	93.3	Very high	95.2	Very high	122 Å²	122	28.1 Å²	28.1	57%	0.57	13%	0.134	S	C	*	.	H	α-helix	trans	-59.7	-38.9	175.6	-76.7	179.2	-178.7	0	0	111.7	G343 K344 W345	G343-E347 PolarHBondContact O-N 3.26Å; G343-E347 VanDerWaalsContact O-N 3.08Å; K344-E347 WeakPolarHBondContact CD-OE2 3.4Å; K344-E347 IonicContact NZ-OE1 3.9Å; K344-E347 PolarHBondContact NZ-OE1 3.3Å; K344-E347 IonicContact NZ-OE2 3.51Å; K344-E347 PolarHBondContact NZ-OE2 3.35Å; K344-E347 PolarHBondContact O-N 2.89Å; W345-E347 VanDerWaalsContact C-N 3.27Å; W345-E347 PolarHBondContact O-N 2.76Å
348	D	90.4	Very high	95.1	Very high	34 Å²	34	26.6 Å²	26.6	18%	0.182	13%	0.13	C	C	.	.	H	α-helix	trans	-96	-28	178.7	-70.7	-35.4	0	0	0	112.2	W345 L346 M424 K451	W345-D348 PolarHBondContact O-N 2.81Å; L346-D348 VanDerWaalsContact C-N 3.27Å; L346-D348 PolarHBondContact O-N 3.4Å; D348-M424 WeakPolarHBondContact O-CE 3.46Å; D348-K451 IonicContact OD1-NZ 2.84Å; D348-K451 PolarHBondContact OD1-NZ 3.27Å; D348-K451 IonicContact OD2-NZ 2.68Å
349	T	93.3	Very high	94.9	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-110.1	-6.3	-171.5	68.1	0	0	0	0	115.2	W345 E351 A352 M424 V459	W345-T349 VanDerWaalsContact CE2-OG1 3.3Å; W345-T349 HydrophobicContact CZ2-CG2 4.3Å; W345-T349 WeakPolarHBondContact CZ2-OG1 3.49Å; W345-T349 PolarHBondContact O-N 2.9Å; W345-T349 VanDerWaalsContact O-N 3.16Å; W345-T349 PolarHBondContact O-OG1 3.43Å; T349-E351 PolarHBondContact O-N 2.84Å; T349-A352 VanDerWaalsContact O-CB 3.31Å; T349-A352 WeakPolarHBondContact O-CB 3.24Å; T349-A352 PolarHBondContact O-N 3.05Å; T349-M424 HydrophobicContact CG2-CB 4.48Å; T349-V459 HydrophobicContact CG2-CB 4.33Å; T349-V459 HydrophobicContact CG2-CG2 3.68Å
350	G	94.7	Very high	94.6	Very high	9 Å²	9	30.2 Å²	30.2	9%	0.093	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-23.2	-171	0	0	0	0	0	114.8	L346 A352 I353 F354	L346-G350 VanDerWaalsContact O-CA 3.27Å; L346-G350 WeakPolarHBondContact O-CA 3.5Å; L346-G350 PolarHBondContact O-N 3.26Å; G350-A352 VanDerWaalsContact C-N 3.27Å; G350-A352 PolarHBondContact O-N 3.43Å; G350-I353 PolarHBondContact O-N 3.32Å; G350-F354 VanDerWaalsContact O-CD2 3.23Å; G350-F354 WeakPolarHBondContact O-CD2 3.49Å; G350-F354 PolarHBondContact O-N 2.98Å
351	E	93.1	Very high	94.4	Very high	60 Å²	60	28.9 Å²	28.9	28%	0.28	15%	0.148	S	C	.	.	H	α-helix	trans	-60.8	-34.2	172	-162.3	-164	128.1	0	0	112.9	T349 I353 T356 R375 Y396 M424 K461	T349-E351 PolarHBondContact O-N 2.84Å; E351-I353 VanDerWaalsContact C-N 3.28Å; E351-T356 WeakPolarHBondContact O-CG2 3.39Å; E351-R375 PolarHBondContact O-NH2 3.39Å; E351-Y396 HydrophobicContact CG-CE1 4.47Å; E351-Y396 PolarHBondContact OE1-OH 3.43Å; E351-M424 HydrophobicContact CB-CE 3.77Å; E351-K461 VanDerWaalsContact OE1-CE 3.28Å; E351-K461 WeakPolarHBondContact OE1-CE 3.26Å; E351-K461 IonicContact OE1-NZ 2.76Å; E351-K461 PolarHBondContact OE1-NZ 3.36Å; E351-K461 IonicContact OE2-NZ 2.99Å; E351-K461 PolarHBondContact OE2-NZ 3.21Å
352	A	95.6	Very high	94.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-78.3	-13.9	179	0	0	0	0	0	113.1	T349 G350 T356 T373 Y396 F398 M424 V459	T349-A352 VanDerWaalsContact O-CB 3.31Å; T349-A352 WeakPolarHBondContact O-CB 3.24Å; T349-A352 PolarHBondContact O-N 3.05Å; G350-A352 VanDerWaalsContact C-N 3.27Å; G350-A352 PolarHBondContact O-N 3.43Å; A352-T356 VanDerWaalsContact C-CG2 3.45Å; A352-T356 WeakPolarHBondContact O-CG2 3.42Å; A352-T356 PolarHBondContact O-OG1 2.72Å; A352-T373 PolarHBondContact O-OG1 3.41Å; A352-Y396 HydrophobicContact CB-CD1 3.41Å; A352-Y396 VanDerWaalsContact CB-CD1 3.41Å; A352-Y396 HydrophobicContact CB-CD2 4.11Å; A352-Y396 HydrophobicContact CB-CE1 4.05Å; A352-Y396 HydrophobicContact CB-CG 3.43Å; A352-Y396 VanDerWaalsContact CB-CG 3.43Å; A352-F398 HydrophobicContact CB-CE1 3.96Å; A352-F398 HydrophobicContact CB-CE2 4.24Å; A352-F398 HydrophobicContact CB-CZ 3.44Å; A352-F398 VanDerWaalsContact CB-CZ 3.44Å; A352-F398 WeakPolarHBondContact O-CZ 3.43Å; A352-M424 HydrophobicContact CB-SD 3.87Å; A352-V459 HydrophobicContact CB-CG1 3.88Å
353	I	96.7	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-105	-62.4	-177	-70.4	-64.4	0	0	0	110.2	K39 F309 I310 V313 W345 L346 G350 E351 T356 F398	K39-I353 HydrophobicContact CB-CG2 4.1Å; K39-I353 WeakPolarHBondContact CG-O 3.41Å; F309-I353 HydrophobicContact CE1-CG2 4.05Å; F309-I353 HydrophobicContact CE2-CG2 3.98Å; F309-I353 HydrophobicContact CZ-CD1 4.42Å; F309-I353 HydrophobicContact CZ-CG1 4.48Å; F309-I353 HydrophobicContact CZ-CG2 3.33Å; I310-I353 HydrophobicContact CG1-CD1 4.37Å; V313-I353 HydrophobicContact CB-CD1 4.39Å; V313-I353 HydrophobicContact CG1-CD1 4.36Å; V313-I353 HydrophobicContact CG2-CD1 4.4Å; W345-I353 HydrophobicContact CH2-CD1 3.98Å; W345-I353 HydrophobicContact CH2-CG1 3.85Å; W345-I353 HydrophobicContact CZ3-CD1 4.44Å; W345-I353 HydrophobicContact CZ3-CG1 4.07Å; L346-I353 HydrophobicContact CD2-CB 4.14Å; L346-I353 HydrophobicContact CD2-CG1 4.03Å; L346-I353 HydrophobicContact CD2-CG2 4.21Å; G350-I353 PolarHBondContact O-N 3.32Å; E351-I353 VanDerWaalsContact C-N 3.28Å; I353-T356 PolarHBondContact O-OG1 3.2Å; I353-F398 HydrophobicContact CD1-CE1 3.8Å; I353-F398 HydrophobicContact CD1-CZ 3.67Å; I353-F398 HydrophobicContact CG1-CE1 4.16Å; I353-F398 HydrophobicContact CG1-CZ 4.16Å
354	F	96.2	Very high	94.1	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.075	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	144.6	-172.1	-60.6	-61.9	0	0	0	111.6	A38 K39 F40 G112 R114 L346 G350 T356 R375	A38-F354 WeakPolarHBondContact O-CD1 3.38Å; A38-F354 WeakPolarHBondContact O-CE1 3.18Å; K39-F354 HydrophobicContact CB-CD1 4.33Å; F40-F354 HydrophobicContact CB-CE1 4.14Å; G112-F354 VanDerWaalsContact O-CZ 3.24Å; G112-F354 WeakPolarHBondContact O-CZ 3.46Å; R114-F354 HydrophobicContact CG-CD1 4.34Å; R114-F354 HydrophobicContact CG-CE1 3.98Å; L346-F354 HydrophobicContact CD1-CE2 4.29Å; L346-F354 HydrophobicContact CD1-CZ 3.98Å; L346-F354 HydrophobicContact CD2-CE2 4.06Å; L346-F354 HydrophobicContact CD2-CZ 4.3Å; G350-F354 VanDerWaalsContact O-CD2 3.23Å; G350-F354 WeakPolarHBondContact O-CD2 3.49Å; G350-F354 PolarHBondContact O-N 2.98Å; F354-T356 PolarHBondContact O-N 3.34Å; F354-R375 PolarHBondContact O-NH2 2.92Å
355	E	93.2	Very high	94	Very high	18 Å²	18	36.7 Å²	36.7	8%	0.084	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	21.9	177.2	-59.5	154.5	-127.8	0	0	113.9	Q37 R114 S379	Q37-E355 HydrophobicContact CB-CG 3.79Å; Q37-E355 HydrophobicContact CG-CG 3.91Å; Q37-E355 PolarHBondContact O-N 3.5Å; R114-E355 IonicContact CZ-OE1 3.19Å; R114-E355 IonicContact NH1-OE1 3.34Å; R114-E355 PolarHBondContact NH1-OE1 2.84Å; R114-E355 IonicContact NH2-OE1 2.84Å; R114-E355 PolarHBondContact NH2-OE1 3.49Å; E355-S379 PolarHBondContact O-OG 3.48Å
356	T	94.7	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.			trans	-95.5	164.7	170.7	66.9	0	0	0	0	110.9	K39 E351 A352 I353 F354 T374 R375 Y396	K39-T356 WeakPolarHBondContact CE-O 3.18Å; K39-T356 PolarHBondContact NZ-O 2.78Å; E351-T356 WeakPolarHBondContact O-CG2 3.39Å; A352-T356 VanDerWaalsContact C-CG2 3.45Å; A352-T356 WeakPolarHBondContact O-CG2 3.42Å; A352-T356 PolarHBondContact O-OG1 2.72Å; I353-T356 PolarHBondContact O-OG1 3.2Å; F354-T356 PolarHBondContact O-N 3.34Å; T356-T374 WeakPolarHBondContact CA-O 3.19Å; T356-T374 VanDerWaalsContact CB-O 3.31Å; T356-T374 WeakPolarHBondContact CB-O 3.18Å; T356-R375 HydrophobicContact CG2-CB 4.4Å; T356-Y396 HydrophobicContact CG2-CD2 4.45Å; T356-Y396 HydrophobicContact CG2-CE2 4.2Å
357	V	93.6	Very high	93.6	Very high	54 Å²	54	40.7 Å²	40.7	33%	0.327	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.6	169.8	-62.2	0	0	0	0	108.8	W359 T374	V357-W359 PolarHBondContact O-N 3.02Å; V357-T374 HydrophobicContact CG2-CG2 3.58Å; V357-T374 PolarHBondContact N-O 3.26Å; V357-T374 PolarHBondContact O-N 2.69Å
358	P	94.6	Very high	93.5	Very high	30 Å²	30	42.8 Å²	42.8	20%	0.195	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	135.1	169	-31.3	40.4	0	0	0	111	L272 S314 G316	L272-P358 HydrophobicContact CD1-CB 3.58Å; L272-P358 HydrophobicContact CD1-CG 3.55Å; S314-P358 VanDerWaalsContact O-CB 3.31Å; S314-P358 WeakPolarHBondContact O-CB 3.31Å; G316-P358 VanDerWaalsContact CA-CG 3.41Å
359	W	94.7	Very high	93.6	Very high	16 Å²	16	43 Å²	43	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	171.4	169	-168.8	47.2	0	0	0	110.4	V357 Y361 Q362 Y372 T374 V395 S412 V413 P467	V357-W359 PolarHBondContact O-N 3.02Å; W359-Y361 VanDerWaalsContact C-N 3.28Å; W359-Y361 HydrophobicContact CH2-CD2 4.22Å; W359-Y361 HydrophobicContact CZ3-CD2 4.05Å; W359-Y361 PolarHBondContact O-N 3.1Å; W359-Q362 PolarHBondContact O-NE2 3.5Å; W359-Y372 AromaticContact CE3-CD1 3.98Å; W359-Y372 HydrophobicContact CE3-CD1 3.98Å; W359-Y372 AromaticContact CE3-CD2 3.72Å; W359-Y372 HydrophobicContact CE3-CD2 3.72Å; W359-Y372 HydrophobicContact CE3-CE2 4.29Å; W359-Y372 AromaticContact CE3-CG 3.53Å; W359-Y372 HydrophobicContact CE3-CG 3.53Å; W359-Y372 HydrophobicContact CZ3-CD1 4.16Å; W359-Y372 AromaticContact CZ3-CD2 3.91Å; W359-Y372 HydrophobicContact CZ3-CD2 3.91Å; W359-Y372 HydrophobicContact CZ3-CE1 4.26Å; W359-Y372 HydrophobicContact CZ3-CE2 4Å; W359-Y372 AromaticContact CZ3-CG 3.99Å; W359-Y372 HydrophobicContact CZ3-CG 3.99Å; W359-T374 HydrophobicContact CB-CG2 4.2Å; W359-T374 HydrophobicContact CG-CG2 4.47Å; W359-V395 HydrophobicContact CD2-CG1 3.83Å; W359-V395 HydrophobicContact CD2-CG2 4.23Å; W359-V395 HydrophobicContact CE3-CG1 4.01Å; W359-V395 HydrophobicContact CG-CG1 4.22Å; W359-V395 HydrophobicContact CG-CG2 4.34Å; W359-V395 HydrophobicContact CZ2-CG1 4.36Å; W359-V395 HydrophobicContact CZ2-CG2 4.14Å; W359-V395 HydrophobicContact CZ3-CG1 4.34Å; W359-S412 WeakPolarHBondContact CH2-O 3.46Å; W359-V413 HydrophobicContact CH2-CB 4.19Å; W359-V413 HydrophobicContact CH2-CG2 3.51Å; W359-V413 HydrophobicContact CZ3-CG2 3.68Å; W359-P467 HydrophobicContact CZ2-CB 4.28Å; W359-P467 HydrophobicContact CZ2-CG 4.12Å
360	V	91.9	Very high	93.8	Very high	91 Å²	91	42.7 Å²	42.7	55%	0.552	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.4	-45	-177.4	176.4	0	0	0	0	110.9	Q362 P467	V360-Q362 PolarHBondContact O-NE2 2.65Å; V360-Q362 VanDerWaalsContact O-NE2 3.14Å; V360-P467 HydrophobicContact CB-CB 4.36Å; V360-P467 HydrophobicContact CB-CG 4.01Å; V360-P467 HydrophobicContact CG1-CB 4.32Å; V360-P467 HydrophobicContact CG1-CG 4.31Å; V360-P467 HydrophobicContact CG2-CG 3.83Å
361	Y	92.8	Very high	93.9	Very high	71 Å²	71	43 Å²	43	28%	0.278	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.1	168	-57.6	-67.7	0	0	0	109.8	W359 Y372 S412 P467 F468	W359-Y361 VanDerWaalsContact C-N 3.28Å; W359-Y361 HydrophobicContact CH2-CD2 4.22Å; W359-Y361 HydrophobicContact CZ3-CD2 4.05Å; W359-Y361 PolarHBondContact O-N 3.1Å; Y361-Y372 WeakPolarHBondContact O-CB 3.37Å; Y361-S412 WeakPolarHBondContact CD2-O 3.44Å; Y361-P467 HydrophobicContact CD2-CB 4.2Å; Y361-P467 HydrophobicContact CE2-CB 3.61Å; Y361-F468 PolarHBondContact OH-O 2.83Å
362	Q	94.1	Very high	94.2	Very high	32 Å²	32	40.1 Å²	40.1	15%	0.15	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-29.6	179.3	-71.2	71.8	61.7	0	0	112	L272 S314 W359 V360 W371 Y372	L272-Q362 HydrophobicContact CB-CG 4.1Å; S314-Q362 WeakPolarHBondContact O-CG 3.47Å; W359-Q362 PolarHBondContact O-NE2 3.5Å; V360-Q362 PolarHBondContact O-NE2 2.65Å; V360-Q362 VanDerWaalsContact O-NE2 3.14Å; Q362-W371 HydrophobicContact CB-CE3 4.39Å; Q362-W371 HydrophobicContact CB-CZ3 4.3Å; Q362-W371 CarbonylContact O-C 3.52Å; Q362-W371 VanDerWaalsContact O-CA 3.27Å; Q362-W371 WeakPolarHBondContact O-CA 3.26Å; Q362-W371 VanDerWaalsContact O-CE3 3.25Å; Q362-Y372 PolarHBondContact O-N 2.68Å
363	N	93.8	Very high	94.2	Very high	85 Å²	85	40.1 Å²	40.1	46%	0.455	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	168.6	175.9	63.9	-0.3	0	0	0	112.1	V370 W371 S412	N363-V370 CarbonylContact C-O 3.49Å; N363-V370 WeakPolarHBondContact CA-O 3.48Å; N363-V370 WeakPolarHBondContact CB-O 2.82Å; N363-W371 HydrophobicContact CB-CD2 4.2Å; N363-W371 HydrophobicContact CB-CE3 4.11Å; N363-W371 HydrophobicContact CB-CZ3 4.3Å; N363-S412 PolarHBondContact O-OG 2.87Å
364	D	94.4	Very high	94.2	Very high	14 Å²	14	40.7 Å²	40.7	8%	0.075	22%	0.215	C	C	.	.			trans	-89.1	147.4	-179.2	-162.9	68.1	0	0	0	113.5	L366 T367 V370 Y372 L410 G411 S412	D364-L366 PolarHBondContact OD2-N 3.14Å; D364-T367 PolarHBondContact OD2-N 2.89Å; D364-V370 HydrophobicContact CB-CB 3.64Å; D364-V370 HydrophobicContact CB-CG1 3.88Å; D364-V370 PolarHBondContact N-O 3.34Å; D364-Y372 HydrophobicContact CB-CE2 3.8Å; D364-Y372 WeakPolarHBondContact CB-OH 3.28Å; D364-Y372 VanDerWaalsContact CG-OH 3.27Å; D364-Y372 PolarHBondContact OD1-OH 3.3Å; D364-L410 WeakPolarHBondContact OD1-CA 3.39Å; D364-G411 VanDerWaalsContact CG-N 3.31Å; D364-G411 PolarHBondContact OD1-N 3.46Å; D364-G411 PolarHBondContact OD2-N 3.28Å; D364-S412 WeakPolarHBondContact CA-OG 3.4Å; D364-S412 PolarHBondContact OD1-N 3.2Å
365	S	91.9	Very high	93.9	Very high	87 Å²	87	40.8 Å²	40.8	61%	0.608	22%	0.215	S	C	*	.	S	Bend	trans	-82.6	-23	178.6	58.2	0	0	0	0	114.6	G411 S412	S365-G411 VanDerWaalsContact OG-C 3.23Å; S365-G411 VanDerWaalsContact OG-CA 3.31Å; S365-G411 WeakPolarHBondContact OG-CA 3.41Å; S365-S412 PolarHBondContact N-OG 3.45Å
366	L	91.6	Very high	93.1	Very high	74 Å²	74	41.5 Å²	41.5	39%	0.387	22%	0.221	S	C	.	.	S	Bend	trans	-103.5	-49.1	-178.1	-70.7	177.9	0	0	0	112.3	D364 G411	D364-L366 PolarHBondContact OD2-N 3.14Å; L366-G411 VanDerWaalsContact CD1-CA 3.47Å
367	T	91.7	Very high	91.8	Very high	34 Å²	34	44.5 Å²	44.5	21%	0.209	24%	0.24	C	C	.	.	S	Bend	trans	-98.2	115.4	-179.3	-58.3	0	0	0	0	110.8	D364 V370 L408 Q409	D364-T367 PolarHBondContact OD2-N 2.89Å; T367-V370 HydrophobicContact CG2-CG2 3.51Å; T367-V370 WeakPolarHBondContact O-CG2 3.17Å; T367-V370 PolarHBondContact O-N 3.25Å; T367-L408 HydrophobicContact CG2-CD1 4.08Å; T367-Q409 WeakPolarHBondContact CB-O 3.33Å; T367-Q409 PolarHBondContact OG1-O 3.31Å
368	K	91.6	Very high	90.3	Very high	167 Å²	167	49.9 Å²	49.9	73%	0.726	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	145.9	176.6	-174.3	-179.5	174.5	-176.4	0	111.4	V370	K368-V370 PolarHBondContact O-N 3.47Å
369	D	92.3	Very high	88.5	Confident	38 Å²	38	49.8 Å²	49.8	20%	0.203	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	23.3	179.3	-63.3	-53.9	0	0	0	113.1	K307 F400	K307-D369 WeakPolarHBondContact CE-OD1 3.36Å; K307-D369 IonicContact NZ-OD1 3.18Å; K307-D369 PolarHBondContact NZ-OD1 3.28Å; K307-D369 IonicContact NZ-OD2 3.52Å; K307-D369 PolarHBondContact NZ-OD2 3.08Å; D369-F400 HydrophobicContact CB-CD2 4.03Å; D369-F400 WeakPolarHBondContact O-CD2 3.48Å; D369-F400 WeakPolarHBondContact O-CE2 3.36Å
370	V	96.6	Very high	86.6	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.			trans	-91.5	130.3	165.1	177.1	0	0	0	0	109.5	N363 D364 T367 K368 Y372 A397 F398 F399 L408 L410	N363-V370 CarbonylContact C-O 3.49Å; N363-V370 WeakPolarHBondContact CA-O 3.48Å; N363-V370 WeakPolarHBondContact CB-O 2.82Å; D364-V370 HydrophobicContact CB-CB 3.64Å; D364-V370 HydrophobicContact CB-CG1 3.88Å; D364-V370 PolarHBondContact N-O 3.34Å; T367-V370 HydrophobicContact CG2-CG2 3.51Å; T367-V370 WeakPolarHBondContact O-CG2 3.17Å; T367-V370 PolarHBondContact O-N 3.25Å; K368-V370 PolarHBondContact O-N 3.47Å; V370-Y372 HydrophobicContact CG1-CE1 4.06Å; V370-Y372 HydrophobicContact CG1-CE2 4.29Å; V370-A397 HydrophobicContact CG1-CB 4.32Å; V370-F398 CarbonylContact C-O 3.56Å; V370-F398 WeakPolarHBondContact CA-O 3.41Å; V370-F398 WeakPolarHBondContact CG1-O 2.8Å; V370-F399 HydrophobicContact CG2-CB 3.87Å; V370-L408 HydrophobicContact CG2-CD1 4.28Å; V370-L410 HydrophobicContact CG1-CD2 4Å
371	W	97.9	Very high	84.5	Confident	14 Å²	14	49.4 Å²	49.4	5%	0.053	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	157.8	-179.5	-65.7	82.4	0	0	0	111.3	H270 I310 E311 Q362 N363 F398 F400	H270-W371 HydrophobicContact CB-CH2 4.4Å; I310-W371 HydrophobicContact CG2-CB 3.68Å; I310-W371 HydrophobicContact CG2-CG 4.15Å; E311-W371 HydrophobicContact CB-CZ2 4.4Å; E311-W371 HydrophobicContact CG-CD2 4.12Å; E311-W371 HydrophobicContact CG-CH2 4.18Å; E311-W371 HydrophobicContact CG-CZ2 3.61Å; Q362-W371 HydrophobicContact CB-CE3 4.39Å; Q362-W371 HydrophobicContact CB-CZ3 4.3Å; Q362-W371 CarbonylContact O-C 3.52Å; Q362-W371 VanDerWaalsContact O-CA 3.27Å; Q362-W371 WeakPolarHBondContact O-CA 3.26Å; Q362-W371 VanDerWaalsContact O-CE3 3.25Å; N363-W371 HydrophobicContact CB-CD2 4.2Å; N363-W371 HydrophobicContact CB-CE3 4.11Å; N363-W371 HydrophobicContact CB-CZ3 4.3Å; W371-F398 HydrophobicContact CB-CB 4.47Å; W371-F398 PolarHBondContact N-O 3.48Å; W371-F398 WeakPolarHBondContact O-CD2 3.21Å; W371-F398 PolarHBondContact O-N 2.76Å; W371-F400 AromaticContact CD1-CE2 3.95Å
372	Y	97.7	Very high	82.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.9	-173	-60.7	-72.2	0	0	0	114.4	S314 W359 Y361 Q362 D364 V370 V395 Y396 A397 L410 V413	S314-Y372 WeakPolarHBondContact CB-O 3.3Å; S314-Y372 PolarHBondContact OG-O 3.07Å; W359-Y372 AromaticContact CE3-CD1 3.98Å; W359-Y372 HydrophobicContact CE3-CD1 3.98Å; W359-Y372 AromaticContact CE3-CD2 3.72Å; W359-Y372 HydrophobicContact CE3-CD2 3.72Å; W359-Y372 HydrophobicContact CE3-CE2 4.29Å; W359-Y372 AromaticContact CE3-CG 3.53Å; W359-Y372 HydrophobicContact CE3-CG 3.53Å; W359-Y372 HydrophobicContact CZ3-CD1 4.16Å; W359-Y372 AromaticContact CZ3-CD2 3.91Å; W359-Y372 HydrophobicContact CZ3-CD2 3.91Å; W359-Y372 HydrophobicContact CZ3-CE1 4.26Å; W359-Y372 HydrophobicContact CZ3-CE2 4Å; W359-Y372 AromaticContact CZ3-CG 3.99Å; W359-Y372 HydrophobicContact CZ3-CG 3.99Å; Y361-Y372 WeakPolarHBondContact O-CB 3.37Å; Q362-Y372 PolarHBondContact O-N 2.68Å; D364-Y372 HydrophobicContact CB-CE2 3.8Å; D364-Y372 WeakPolarHBondContact CB-OH 3.28Å; D364-Y372 VanDerWaalsContact CG-OH 3.27Å; D364-Y372 PolarHBondContact OD1-OH 3.3Å; V370-Y372 HydrophobicContact CG1-CE1 4.06Å; V370-Y372 HydrophobicContact CG1-CE2 4.29Å; Y372-V395 HydrophobicContact CD1-CG1 3.94Å; Y372-Y396 WeakPolarHBondContact CA-O 3.48Å; Y372-A397 HydrophobicContact CD1-CB 3.92Å; Y372-A397 HydrophobicContact CE1-CB 3.53Å; Y372-L410 WeakPolarHBondContact OH-CD2 2.93Å; Y372-V413 HydrophobicContact CE1-CG2 3.8Å; Y372-V413 WeakPolarHBondContact OH-CG2 3.34Å
373	T	96.8	Very high	79.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	164.3	160.4	65	0	0	0	0	109.5	V313 A352 Y396 F398	V313-T373 HydrophobicContact CG1-CG2 3.85Å; A352-T373 PolarHBondContact O-OG1 3.41Å; T373-Y396 PolarHBondContact N-O 2.83Å; T373-Y396 PolarHBondContact O-N 2.85Å; T373-F398 HydrophobicContact CG2-CE2 3.78Å; T373-F398 HydrophobicContact CG2-CZ 4.39Å; T373-F398 WeakPolarHBondContact OG1-CE2 3.45Å
374	T	95.3	Very high	77.4	Confident	13 Å²	13	62.9 Å²	62.9	8%	0.08	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.6	174	-171.4	0	0	0	0	111.9	T356 V357 W359 Y394	T356-T374 WeakPolarHBondContact CA-O 3.19Å; T356-T374 VanDerWaalsContact CB-O 3.31Å; T356-T374 WeakPolarHBondContact CB-O 3.18Å; V357-T374 HydrophobicContact CG2-CG2 3.58Å; V357-T374 PolarHBondContact N-O 3.26Å; V357-T374 PolarHBondContact O-N 2.69Å; W359-T374 HydrophobicContact CB-CG2 4.2Å; W359-T374 HydrophobicContact CG-CG2 4.47Å; T374-Y394 WeakPolarHBondContact CA-O 3.29Å; T374-Y394 WeakPolarHBondContact CB-O 3.49Å; T374-Y394 PolarHBondContact OG1-O 2.91Å
375	R	89.8	Confident	75	Confident	18 Å²	18	68.9 Å²	68.9	7%	0.068	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.7	172	-177.2	178.9	-87.3	-163	-1.7	108.4	E351 F354 T356 S379 M380 N393 Y394 Y396	E351-R375 PolarHBondContact O-NH2 3.39Å; F354-R375 PolarHBondContact O-NH2 2.92Å; T356-R375 HydrophobicContact CG2-CB 4.4Å; R375-S379 WeakPolarHBondContact CG-OG 3.32Å; R375-M380 HydrophobicContact CG-CG 3.83Å; R375-N393 WeakPolarHBondContact O-CA 3.27Å; R375-Y394 PolarHBondContact N-O 3.08Å; R375-Y394 PolarHBondContact O-N 2.59Å; R375-Y396 HydrophobicContact CB-CE2 3.73Å
376	T	76.6	Confident	73	Confident	34 Å²	34	75.6 Å²	75.6	21%	0.209	37%	0.37	C	S	.	.			trans	-105.2	158.9	177.6	64.8	0	0	0	0	109.8	Q378 S379 M380	T376-Q378 PolarHBondContact O-N 2.85Å; T376-Q378 VanDerWaalsContact O-N 3.1Å; T376-Q378 PolarHBondContact OG1-OE1 3.04Å; T376-S379 PolarHBondContact N-OG 3.48Å; T376-S379 PolarHBondContact O-N 2.79Å; T376-S379 PolarHBondContact O-OG 3.37Å; T376-S379 PolarHBondContact OG1-N 3.02Å; T376-M380 WeakPolarHBondContact O-CG 3.41Å; T376-M380 PolarHBondContact O-N 2.87Å; T376-M380 VanDerWaalsContact O-N 3.08Å
377	P	68.3	Low	71.2	Confident	62 Å²	62	74.2 Å²	74.2	40%	0.403	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.3	172.9	-27.9	35.3	0	0	0	113.8	M380 N393	P377-M380 HydrophobicContact CB-CE 4.33Å; P377-N393 WeakPolarHBondContact CD-OD1 3.44Å
378	Q	61.6	Low	69.7	Low	168 Å²	168	76.7 Å²	76.7	79%	0.785	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-28.3	174.9	-59.1	86.3	4.6	0	0	113	T376	T376-Q378 PolarHBondContact O-N 2.85Å; T376-Q378 VanDerWaalsContact O-N 3.1Å; T376-Q378 PolarHBondContact OG1-OE1 3.04Å
379	S	57	Low	68.3	Low	27 Å²	27	69 Å²	69	19%	0.189	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.2	176.5	83	0	0	0	0	113.5	E355 R375 T376 G381	E355-S379 PolarHBondContact O-OG 3.48Å; R375-S379 WeakPolarHBondContact CG-OG 3.32Å; T376-S379 PolarHBondContact N-OG 3.48Å; T376-S379 PolarHBondContact O-N 2.79Å; T376-S379 PolarHBondContact O-OG 3.37Å; T376-S379 PolarHBondContact OG1-N 3.02Å; S379-G381 PolarHBondContact O-N 3.42Å
380	M	54.3	Low	66.7	Low	62 Å²	62	70.9 Å²	70.9	31%	0.305	36%	0.359	S	S	.	.			trans	-70.5	100.5	175.7	-66	-152.3	-79.1	0	0	111.1	R375 T376 P377 Y394	R375-M380 HydrophobicContact CG-CG 3.83Å; T376-M380 WeakPolarHBondContact O-CG 3.41Å; T376-M380 PolarHBondContact O-N 2.87Å; T376-M380 VanDerWaalsContact O-N 3.08Å; P377-M380 HydrophobicContact CB-CE 4.33Å; M380-Y394 HydrophobicContact SD-CE2 4.32Å
381	G	48.9	Very low	64.9	Low	38 Å²	38	80.2 Å²	80.2	39%	0.392	40%	0.395	S	S	.	.			trans	-57.1	174.8	158	0	0	0	0	0	111.7	S379 L383	S379-G381 PolarHBondContact O-N 3.42Å; G381-L383 PolarHBondContact O-N 3.35Å
382	R	40.9	Very low	63.5	Low	267 Å²	267	80.6 Å²	80.6	100%	1.008	40%	0.402	S	S	*	.	S	Bend	trans	-63.8	25	-176.5	-78.4	-173.6	178.9	179.5	0.8	115.9
383	L	43.3	Very low	62.9	Low	104 Å²	104	85.1 Å²	85.1	55%	0.545	43%	0.427	S	S	.	.			trans	-93.3	109.3	-177.2	-92.2	139.7	0	0	0	113.8	G381	G381-L383 PolarHBondContact O-N 3.35Å
384	T	46.2	Very low	62.7	Low	99 Å²	99	85.3 Å²	85.3	61%	0.607	43%	0.428	S	S	*	.			trans	62.9	114	143.8	57.4	0	0	0	0	122.3	R386	T384-R386 PolarHBondContact O-N 3.26Å
385	N	45.3	Very low	62.7	Low	141 Å²	141	85 Å²	85	75%	0.754	43%	0.425	S	S	*	.	S	Bend	trans	-63	34.5	164.5	-78.2	-18.5	0	0	0	115.8	R391	N385-R391 PolarHBondContact OD1-NH2 3.03Å
386	R	49.2	Very low	63	Low	227 Å²	227	84.1 Å²	84.1	86%	0.857	42%	0.422	S	S	*	.			trans	-104.4	6	-178.4	-79.9	-169.9	179.6	-177.3	0.6	115.2	T384	T384-R386 PolarHBondContact O-N 3.26Å
387	S	54.8	Low	64	Low	46 Å²	46	82.5 Å²	82.5	32%	0.322	41%	0.412	S	S	.	.			trans	-75.5	127	176.3	-173.3	0	0	0	0	110.8	L389 Y394 K461	S387-L389 VanDerWaalsContact C-N 3.28Å; S387-L389 PolarHBondContact OG-N 2.89Å; S387-L389 PolarHBondContact OG-O 3.07Å; S387-Y394 PolarHBondContact OG-OH 2.79Å; S387-K461 PolarHBondContact OG-NZ 3.09Å; S387-K461 VanDerWaalsContact OG-NZ 3.14Å
388	I	59.7	Low	65.4	Low	86 Å²	86	79.5 Å²	79.5	44%	0.441	39%	0.393	S	S	.	.	S	Bend	trans	-70.8	-30.1	167.8	-59.5	172.8	0	0	0	110.2	S427	I388-S427 WeakPolarHBondContact CD1-O 3.44Å
389	L	61.7	Low	67	Low	5 Å²	5	71.6 Å²	71.6	3%	0.026	36%	0.356	C	S	.	.	S	Bend	trans	-75.5	146.5	176.6	-60	-174.9	0	0	0	111.4	S387 Y394 E420 I422 K461 C463	S387-L389 VanDerWaalsContact C-N 3.28Å; S387-L389 PolarHBondContact OG-N 2.89Å; S387-L389 PolarHBondContact OG-O 3.07Å; L389-Y394 HydrophobicContact CB-CE1 3.77Å; L389-Y394 HydrophobicContact CD1-CD1 4.25Å; L389-Y394 HydrophobicContact CD1-CE1 4.17Å; L389-Y394 PolarHBondContact O-OH 3.11Å; L389-E420 HydrophobicContact CD2-CB 3.45Å; L389-E420 VanDerWaalsContact CD2-CB 3.45Å; L389-E420 HydrophobicContact CD2-CG 4.4Å; L389-E420 WeakPolarHBondContact CD2-OE2 3.48Å; L389-I422 HydrophobicContact CD1-CD1 3.87Å; L389-I422 HydrophobicContact CD1-CG1 3.7Å; L389-I422 HydrophobicContact CD2-CD1 4.25Å; L389-I422 HydrophobicContact CD2-CG1 4.05Å; L389-I422 HydrophobicContact CG-CD1 3.62Å; L389-I422 HydrophobicContact CG-CG1 3.78Å; L389-K461 HydrophobicContact CD1-CD 4.15Å; L389-K461 HydrophobicContact CD1-CG 3.91Å; L389-C463 HydrophobicContact CB-CB 4.45Å; L389-C463 HydrophobicContact CD1-CB 3.99Å
390	P	58.6	Low	68.7	Low	78 Å²	78	70.9 Å²	70.9	51%	0.506	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-54.2	146.4	172.4	-22.5	31.8	0	0	0	112.3	G392 Y394 E420	P390-G392 PolarHBondContact O-N 2.76Å; P390-Y394 WeakPolarHBondContact O-CE1 3.3Å; P390-Y394 PolarHBondContact O-OH 3.3Å; P390-E420 WeakPolarHBondContact CD-OE2 3.44Å
391	R	59.1	Low	70.5	Confident	196 Å²	196	72.8 Å²	72.8	74%	0.74	36%	0.361	S	S	*	.	S	Bend	trans	-60.3	125.6	173.4	-72.3	-172.8	-179.7	-171	0.6	110	N385	N385-R391 PolarHBondContact OD1-NH2 3.03Å
392	G	68.9	Low	72.4	Confident	21 Å²	21	73.6 Å²	73.6	22%	0.216	35%	0.352	C	S	.	.	S	Bend	trans	-178.6	-162.3	179	0	0	0	0	0	111.6	P390	P390-G392 PolarHBondContact O-N 2.76Å
393	N	83.5	Confident	74.8	Confident	96 Å²	96	62.1 Å²	62.1	51%	0.513	31%	0.312	S	S	.	.			trans	-73.3	125.6	169.4	-64.1	-21.4	0	0	0	108.8	R375 P377	R375-N393 WeakPolarHBondContact O-CA 3.27Å; P377-N393 WeakPolarHBondContact CD-OD1 3.44Å
394	Y	93.4	Very high	77	Confident	4 Å²	4	67 Å²	67	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.8	173	-57.7	-62.8	0	0	0	110	T374 R375 M380 S387 L389 P390 K461 L462 C463	T374-Y394 WeakPolarHBondContact CA-O 3.29Å; T374-Y394 WeakPolarHBondContact CB-O 3.49Å; T374-Y394 PolarHBondContact OG1-O 2.91Å; R375-Y394 PolarHBondContact N-O 3.08Å; R375-Y394 PolarHBondContact O-N 2.59Å; M380-Y394 HydrophobicContact SD-CE2 4.32Å; S387-Y394 PolarHBondContact OG-OH 2.79Å; L389-Y394 HydrophobicContact CB-CE1 3.77Å; L389-Y394 HydrophobicContact CD1-CD1 4.25Å; L389-Y394 HydrophobicContact CD1-CE1 4.17Å; L389-Y394 PolarHBondContact O-OH 3.11Å; P390-Y394 WeakPolarHBondContact O-CE1 3.3Å; P390-Y394 PolarHBondContact O-OH 3.3Å; Y394-K461 HydrophobicContact CD1-CD 4.47Å; Y394-K461 HydrophobicContact CD1-CG 4.37Å; Y394-K461 VanDerWaalsContact CE1-CE 3.5Å; Y394-K461 VanDerWaalsContact CG-CE 3.48Å; Y394-L462 VanDerWaalsContact CA-O 3.29Å; Y394-L462 WeakPolarHBondContact CA-O 3.42Å; Y394-C463 HydrophobicContact CD1-CB 3.88Å; Y394-C463 HydrophobicContact CE1-CB 4.01Å
395	V	95.5	Very high	79.1	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.03	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.5	167.3	179.3	0	0	0	0	107.2	W359 Y372 L462 V465	W359-V395 HydrophobicContact CD2-CG1 3.83Å; W359-V395 HydrophobicContact CD2-CG2 4.23Å; W359-V395 HydrophobicContact CE3-CG1 4.01Å; W359-V395 HydrophobicContact CG-CG1 4.22Å; W359-V395 HydrophobicContact CG-CG2 4.34Å; W359-V395 HydrophobicContact CZ2-CG1 4.36Å; W359-V395 HydrophobicContact CZ2-CG2 4.14Å; W359-V395 HydrophobicContact CZ3-CG1 4.34Å; Y372-V395 HydrophobicContact CD1-CG1 3.94Å; V395-L462 HydrophobicContact CB-CB 4.33Å; V395-L462 HydrophobicContact CG1-CD1 4.47Å; V395-L462 PolarHBondContact N-O 2.79Å; V395-L462 WeakPolarHBondContact O-CB 3.27Å; V395-L462 PolarHBondContact O-N 3.28Å; V395-V465 HydrophobicContact CB-CG2 3.96Å; V395-V465 HydrophobicContact CG2-CG2 3.67Å
396	Y	96.9	Very high	81.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.6	178.2	-53.3	-90.1	0	0	0	108.5	E351 A352 T356 Y372 T373 R375 M424 V459 V460 K461	E351-Y396 HydrophobicContact CG-CE1 4.47Å; E351-Y396 PolarHBondContact OE1-OH 3.43Å; A352-Y396 HydrophobicContact CB-CD1 3.41Å; A352-Y396 VanDerWaalsContact CB-CD1 3.41Å; A352-Y396 HydrophobicContact CB-CD2 4.11Å; A352-Y396 HydrophobicContact CB-CE1 4.05Å; A352-Y396 HydrophobicContact CB-CG 3.43Å; A352-Y396 VanDerWaalsContact CB-CG 3.43Å; T356-Y396 HydrophobicContact CG2-CD2 4.45Å; T356-Y396 HydrophobicContact CG2-CE2 4.2Å; Y372-Y396 WeakPolarHBondContact CA-O 3.48Å; T373-Y396 PolarHBondContact N-O 2.83Å; T373-Y396 PolarHBondContact O-N 2.85Å; R375-Y396 HydrophobicContact CB-CE2 3.73Å; Y396-M424 HydrophobicContact CD1-SD 4.02Å; Y396-M424 HydrophobicContact CE1-SD 4.38Å; Y396-V459 HydrophobicContact CD1-CG1 4.45Å; Y396-V460 WeakPolarHBondContact CA-O 3.32Å; Y396-K461 HydrophobicContact CD1-CB 3.93Å; Y396-K461 HydrophobicContact CD1-CG 3.96Å; Y396-K461 HydrophobicContact CE1-CB 4.06Å; Y396-K461 HydrophobicContact CE1-CD 3.78Å; Y396-K461 HydrophobicContact CE1-CG 3.65Å
397	A	97.5	Very high	83.5	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.4	177.4	0	0	0	0	0	109.1	V370 Y372 L410 V459 V460 L462	V370-A397 HydrophobicContact CG1-CB 4.32Å; Y372-A397 HydrophobicContact CD1-CB 3.92Å; Y372-A397 HydrophobicContact CE1-CB 3.53Å; A397-L410 HydrophobicContact CB-CD1 4.08Å; A397-V459 WeakPolarHBondContact O-CA 3.39Å; A397-V460 HydrophobicContact CB-CB 4.49Å; A397-V460 PolarHBondContact N-O 3.22Å; A397-V460 PolarHBondContact O-N 3.09Å; A397-L462 HydrophobicContact CB-CD1 4.44Å
398	F	97.3	Very high	85.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.6	174.5	-60.3	-96.5	0	0	0	109.2	I310 W345 A352 I353 V370 W371 T373 W458 V459	I310-F398 HydrophobicContact CD1-CB 4.19Å; I310-F398 HydrophobicContact CD1-CD1 3.58Å; I310-F398 HydrophobicContact CD1-CE1 4.3Å; I310-F398 HydrophobicContact CD1-CG 4.13Å; I310-F398 HydrophobicContact CG1-CD1 3.71Å; I310-F398 HydrophobicContact CG1-CE1 4.06Å; I310-F398 HydrophobicContact CG1-CG 4.2Å; I310-F398 HydrophobicContact CG2-CB 3.68Å; I310-F398 HydrophobicContact CG2-CD1 4.04Å; I310-F398 HydrophobicContact CG2-CD2 3.94Å; I310-F398 HydrophobicContact CG2-CG 3.63Å; W345-F398 HydrophobicContact CH2-CD1 4.33Å; W345-F398 AromaticContact CH2-CE1 3.95Å; W345-F398 HydrophobicContact CH2-CE1 3.95Å; W345-F398 HydrophobicContact CZ2-CD1 4.02Å; W345-F398 AromaticContact CZ2-CE1 3.96Å; W345-F398 HydrophobicContact CZ2-CE1 3.96Å; A352-F398 HydrophobicContact CB-CE1 3.96Å; A352-F398 HydrophobicContact CB-CE2 4.24Å; A352-F398 HydrophobicContact CB-CZ 3.44Å; A352-F398 VanDerWaalsContact CB-CZ 3.44Å; A352-F398 WeakPolarHBondContact O-CZ 3.43Å; I353-F398 HydrophobicContact CD1-CE1 3.8Å; I353-F398 HydrophobicContact CD1-CZ 3.67Å; I353-F398 HydrophobicContact CG1-CE1 4.16Å; I353-F398 HydrophobicContact CG1-CZ 4.16Å; V370-F398 CarbonylContact C-O 3.56Å; V370-F398 WeakPolarHBondContact CA-O 3.41Å; V370-F398 WeakPolarHBondContact CG1-O 2.8Å; W371-F398 HydrophobicContact CB-CB 4.47Å; W371-F398 PolarHBondContact N-O 3.48Å; W371-F398 WeakPolarHBondContact O-CD2 3.21Å; W371-F398 PolarHBondContact O-N 2.76Å; T373-F398 HydrophobicContact CG2-CE2 3.78Å; T373-F398 HydrophobicContact CG2-CZ 4.39Å; T373-F398 WeakPolarHBondContact OG1-CE2 3.45Å; F398-W458 WeakPolarHBondContact CA-O 2.97Å; F398-V459 HydrophobicContact CD1-CB 4.44Å; F398-V459 HydrophobicContact CD1-CG1 4.31Å; F398-V459 HydrophobicContact CD1-CG2 3.36Å; F398-V459 HydrophobicContact CE1-CG1 4.26Å; F398-V459 HydrophobicContact CE1-CG2 3.56Å; F398-V459 HydrophobicContact CG-CG2 4.21Å
399	F	95.4	Very high	87	Confident	1 Å²	1	50 Å²	50	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.1	177.8	64.9	-78.8	0	0	0	110.9	V370 N401 W402 L408 L423 L444 W458 V460	V370-F399 HydrophobicContact CG2-CB 3.87Å; F399-N401 WeakPolarHBondContact CD2-O 3.41Å; F399-W402 HydrophobicContact CE2-CD2 4.47Å; F399-W402 AromaticContact CE2-CE3 3.74Å; F399-W402 HydrophobicContact CE2-CE3 3.74Å; F399-W402 HydrophobicContact CE2-CZ3 4.02Å; F399-W402 HydrophobicContact CZ-CE3 4.1Å; F399-W402 AromaticContact CZ-CZ3 3.88Å; F399-W402 HydrophobicContact CZ-CZ3 3.88Å; F399-L408 HydrophobicContact CB-CD1 4.47Å; F399-L408 HydrophobicContact CD1-CD2 3.96Å; F399-L408 HydrophobicContact CE1-CD2 4.12Å; F399-L408 HydrophobicContact CG-CD1 4.46Å; F399-L408 HydrophobicContact CG-CD2 4.29Å; F399-L423 HydrophobicContact CE1-CD1 4.32Å; F399-L423 HydrophobicContact CZ-CD1 4.24Å; F399-L444 HydrophobicContact CE2-CD1 3.99Å; F399-L444 HydrophobicContact CZ-CD1 4.04Å; F399-L444 HydrophobicContact CZ-CD2 4.34Å; F399-W458 HydrophobicContact CD1-CB 4.09Å; F399-W458 VanDerWaalsContact CD1-O 3.31Å; F399-W458 WeakPolarHBondContact CD1-O 3.25Å; F399-W458 HydrophobicContact CD2-CB 4.38Å; F399-W458 AromaticContact CD2-CE3 3.86Å; F399-W458 HydrophobicContact CD2-CE3 3.86Å; F399-W458 HydrophobicContact CE1-CB 3.45Å; F399-W458 VanDerWaalsContact CE1-CB 3.45Å; F399-W458 HydrophobicContact CE2-CB 3.82Å; F399-W458 HydrophobicContact CE2-CD2 4.14Å; F399-W458 AromaticContact CE2-CE3 3.69Å; F399-W458 HydrophobicContact CE2-CE3 3.69Å; F399-W458 HydrophobicContact CE2-CG 4.24Å; F399-W458 HydrophobicContact CZ-CB 3.33Å; F399-W458 HydrophobicContact CZ-CD2 4.45Å; F399-W458 HydrophobicContact CZ-CE3 4.4Å; F399-W458 HydrophobicContact CZ-CG 4.08Å; F399-W458 PolarHBondContact N-O 3.38Å; F399-W458 PolarHBondContact O-N 3.24Å; F399-V460 HydrophobicContact CD1-CG2 4.45Å; F399-V460 HydrophobicContact CE1-CG2 3.74Å; F399-V460 HydrophobicContact CZ-CG2 4.5Å
400	F	93.1	Very high	88.6	Confident	13 Å²	13	49.7 Å²	49.7	6%	0.057	25%	0.25	C	S	.	.	S	Bend	trans	-109.3	-15.8	-173.5	-58	-90.3	0	0	0	113.9	K307 I310 D369 W371 C456 C457 W458	K307-F400 HydrophobicContact CB-CD1 4.27Å; K307-F400 HydrophobicContact CB-CE1 3.62Å; K307-F400 HydrophobicContact CB-CZ 3.89Å; K307-F400 HydrophobicContact CG-CE1 3.97Å; K307-F400 HydrophobicContact CG-CE2 4.18Å; K307-F400 HydrophobicContact CG-CZ 3.79Å; I310-F400 HydrophobicContact CB-CZ 4.17Å; I310-F400 HydrophobicContact CD1-CE1 3.84Å; I310-F400 HydrophobicContact CD1-CZ 3.54Å; I310-F400 HydrophobicContact CG1-CZ 4.48Å; I310-F400 HydrophobicContact CG2-CZ 4.27Å; D369-F400 HydrophobicContact CB-CD2 4.03Å; D369-F400 WeakPolarHBondContact O-CD2 3.48Å; D369-F400 WeakPolarHBondContact O-CE2 3.36Å; W371-F400 AromaticContact CD1-CE2 3.95Å; F400-C456 WeakPolarHBondContact CA-O 3.28Å; F400-C457 HydrophobicContact CD1-CB 3.86Å; F400-C457 HydrophobicContact CE1-CB 3.89Å; F400-C457 VanDerWaalsContact CE1-SG 3.58Å; F400-W458 WeakPolarHBondContact O-CZ3 3.41Å
401	N	90.7	Very high	90.3	Very high	102 Å²	102	46.1 Å²	46.1	55%	0.545	23%	0.227	S	C	.	.	S	Bend	trans	-113.8	121.9	177.5	-62.3	-59.9	0	0	0	108.9	F399 P403	F399-N401 WeakPolarHBondContact CD2-O 3.41Å; N401-P403 WeakPolarHBondContact O-CD 3.29Å
402	W	90.1	Very high	91.9	Very high	54 Å²	54	37.1 Å²	37.1	21%	0.205	20%	0.195	C	C	.	.			trans	-76.1	118.2	171.6	-162.1	-84.2	0	0	0	109	F399 E404 L423 L444 P445 F448 W458	F399-W402 HydrophobicContact CE2-CD2 4.47Å; F399-W402 AromaticContact CE2-CE3 3.74Å; F399-W402 HydrophobicContact CE2-CE3 3.74Å; F399-W402 HydrophobicContact CE2-CZ3 4.02Å; F399-W402 HydrophobicContact CZ-CE3 4.1Å; F399-W402 AromaticContact CZ-CZ3 3.88Å; F399-W402 HydrophobicContact CZ-CZ3 3.88Å; W402-E404 PolarHBondContact O-N 3.25Å; W402-L423 HydrophobicContact CH2-CD2 3.76Å; W402-L423 HydrophobicContact CZ3-CD2 4.28Å; W402-L444 HydrophobicContact CD2-CD1 4.31Å; W402-L444 HydrophobicContact CH2-CB 4.21Å; W402-L444 HydrophobicContact CH2-CD1 4.3Å; W402-L444 HydrophobicContact CH2-CD2 4.46Å; W402-L444 HydrophobicContact CZ2-CB 3.62Å; W402-L444 HydrophobicContact CZ2-CD1 4.06Å; W402-L444 HydrophobicContact CZ2-CG 4.34Å; W402-P445 HydrophobicContact CH2-CG 4.06Å; W402-P445 HydrophobicContact CZ2-CG 3.91Å; W402-P445 VanDerWaalsContact CZ2-O 3.23Å; W402-P445 WeakPolarHBondContact CZ2-O 3.31Å; W402-P445 PolarHBondContact NE1-O 3.22Å; W402-F448 HydrophobicContact CH2-CB 3.32Å; W402-F448 HydrophobicContact CH2-CG 4.15Å; W402-F448 HydrophobicContact CZ2-CB 3.93Å; W402-F448 HydrophobicContact CZ3-CB 3.75Å; W402-F448 HydrophobicContact CZ3-CD1 4.31Å; W402-F448 HydrophobicContact CZ3-CG 4.39Å; W402-W458 HydrophobicContact CB-CH2 3.94Å; W402-W458 HydrophobicContact CB-CZ3 3.97Å; W402-W458 AromaticContact CE3-CD2 3.55Å; W402-W458 HydrophobicContact CE3-CD2 3.55Å; W402-W458 AromaticContact CE3-CE2 3.66Å; W402-W458 AromaticContact CE3-CE3 3.87Å; W402-W458 HydrophobicContact CE3-CE3 3.87Å; W402-W458 AromaticContact CE3-CG 3.94Å; W402-W458 HydrophobicContact CE3-CG 3.94Å; W402-W458 HydrophobicContact CE3-CH2 4.35Å; W402-W458 HydrophobicContact CE3-CZ2 4.07Å; W402-W458 HydrophobicContact CE3-CZ3 4.25Å; W402-W458 HydrophobicContact CZ3-CB 4.32Å; W402-W458 AromaticContact CZ3-CD1 3.85Å; W402-W458 AromaticContact CZ3-CD2 3.89Å; W402-W458 HydrophobicContact CZ3-CD2 3.89Å; W402-W458 AromaticContact CZ3-CG 3.75Å; W402-W458 HydrophobicContact CZ3-CG 3.75Å
403	P	90.4	Very high	93.1	Very high	26 Å²	26	36.1 Å²	36.1	17%	0.169	18%	0.184	C	C	.	.			trans	-59.9	132.4	180	-22.2	33.2	0	0	0	111.8	N401 D405 G406 I407 L408 L444	N401-P403 WeakPolarHBondContact O-CD 3.29Å; P403-D405 VanDerWaalsContact C-N 3.27Å; P403-D405 WeakPolarHBondContact CB-OD1 3.28Å; P403-D405 PolarHBondContact O-N 3.05Å; P403-G406 PolarHBondContact O-N 3.31Å; P403-I407 WeakPolarHBondContact CB-O 3.37Å; P403-I407 WeakPolarHBondContact CG-O 3.31Å; P403-L408 HydrophobicContact CG-CB 4.45Å; P403-L444 HydrophobicContact CG-CD1 4.25Å
404	E	89.1	Confident	93.4	Very high	207 Å²	207	35.6 Å²	35.6	97%	0.967	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-31.9	-178.6	-66.2	-174.3	172.1	0	0	112.9	W402 G406	W402-E404 PolarHBondContact O-N 3.25Å; E404-G406 VanDerWaalsContact C-N 3.26Å
405	D	91.3	Very high	93.2	Very high	106 Å²	106	36.6 Å²	36.6	57%	0.567	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.2	176	67.2	-6.7	0	0	0	113.1	P403 I407	P403-D405 VanDerWaalsContact C-N 3.27Å; P403-D405 WeakPolarHBondContact CB-OD1 3.28Å; P403-D405 PolarHBondContact O-N 3.05Å; D405-I407 VanDerWaalsContact C-N 3.31Å; D405-I407 PolarHBondContact OD1-N 3.14Å
406	G	92	Very high	92.6	Very high	11 Å²	11	39.8 Å²	39.8	11%	0.113	21%	0.209	C	C	.	.	S	Bend	trans	72.5	17.4	-176.7	0	0	0	0	0	114.3	P403 E404 L444	P403-G406 PolarHBondContact O-N 3.31Å; E404-G406 VanDerWaalsContact C-N 3.26Å; G406-L444 WeakPolarHBondContact O-CB 3.38Å; G406-L444 PolarHBondContact O-N 3Å
407	I	93.9	Very high	92	Very high	55 Å²	55	46.9 Å²	46.9	28%	0.282	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112.7	-179.4	-55.5	177.1	0	0	0	110.2	P403 D405 Q409 K441	P403-I407 WeakPolarHBondContact CB-O 3.37Å; P403-I407 WeakPolarHBondContact CG-O 3.31Å; D405-I407 VanDerWaalsContact C-N 3.31Å; D405-I407 PolarHBondContact OD1-N 3.14Å; I407-Q409 HydrophobicContact CG2-CG 4.06Å; I407-K441 HydrophobicContact CG2-CB 4.08Å; I407-K441 HydrophobicContact CG2-CD 4.39Å; I407-K441 HydrophobicContact CG2-CG 4.32Å
408	L	94.6	Very high	91.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.3	169.2	179.1	63.6	0	0	0	109.6	T367 V370 F399 P403 L410 K441 I442 L444 V460	T367-L408 HydrophobicContact CG2-CD1 4.08Å; V370-L408 HydrophobicContact CG2-CD1 4.28Å; F399-L408 HydrophobicContact CB-CD1 4.47Å; F399-L408 HydrophobicContact CD1-CD2 3.96Å; F399-L408 HydrophobicContact CE1-CD2 4.12Å; F399-L408 HydrophobicContact CG-CD1 4.46Å; F399-L408 HydrophobicContact CG-CD2 4.29Å; P403-L408 HydrophobicContact CG-CB 4.45Å; L408-L410 HydrophobicContact CD1-CD2 4.06Å; L408-L410 HydrophobicContact CD2-CD2 3.99Å; L408-L410 HydrophobicContact CG-CD2 3.76Å; L408-L410 HydrophobicContact CG-CG 4.33Å; L408-K441 CarbonylContact O-C 3.49Å; L408-K441 WeakPolarHBondContact O-CA 3.16Å; L408-I442 HydrophobicContact CB-CB 4.38Å; L408-I442 PolarHBondContact N-O 2.82Å; L408-I442 PolarHBondContact O-N 2.78Å; L408-L444 HydrophobicContact CB-CD1 4Å; L408-L444 HydrophobicContact CB-CG 4.26Å; L408-V460 HydrophobicContact CD2-CG2 3.97Å
409	Q	94.6	Very high	91.2	Very high	69 Å²	69	54 Å²	54	32%	0.322	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118	-179.2	-58.8	-170	63.5	0	0	109.9	T367 I407 K441	T367-Q409 WeakPolarHBondContact CB-O 3.33Å; T367-Q409 PolarHBondContact OG1-O 3.31Å; I407-Q409 HydrophobicContact CG2-CG 4.06Å; Q409-K441 HydrophobicContact CG-CG 4.37Å
410	L	95.2	Very high	91	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107	179.6	-52.8	-176.4	0	0	0	108.8	D364 V370 Y372 A397 L408 V413 G439 L440 I442 L462	D364-L410 WeakPolarHBondContact OD1-CA 3.39Å; V370-L410 HydrophobicContact CG1-CD2 4Å; Y372-L410 WeakPolarHBondContact OH-CD2 2.93Å; A397-L410 HydrophobicContact CB-CD1 4.08Å; L408-L410 HydrophobicContact CD1-CD2 4.06Å; L408-L410 HydrophobicContact CD2-CD2 3.99Å; L408-L410 HydrophobicContact CG-CD2 3.76Å; L408-L410 HydrophobicContact CG-CG 4.33Å; L410-V413 HydrophobicContact CB-CB 3.95Å; L410-V413 HydrophobicContact CB-CG2 3.94Å; L410-V413 HydrophobicContact CD1-CB 4.41Å; L410-V413 HydrophobicContact CD1-CG2 4.03Å; L410-G439 CarbonylContact O-C 3.57Å; L410-G439 WeakPolarHBondContact O-CA 3.44Å; L410-L440 HydrophobicContact CB-CB 4.38Å; L410-L440 PolarHBondContact N-O 2.9Å; L410-L440 PolarHBondContact O-N 2.91Å; L410-I442 HydrophobicContact CD1-CD1 3.82Å; L410-I442 HydrophobicContact CG-CD1 4.48Å; L410-L462 HydrophobicContact CD1-CD1 3.85Å
411	G	93.7	Very high	91.1	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.021	30%	0.297	C	S	.	.	S	Bend	trans	-79.3	-26.9	179.6	0	0	0	0	0	113.9	D364 S365 L366 V413	D364-G411 VanDerWaalsContact CG-N 3.31Å; D364-G411 PolarHBondContact OD1-N 3.46Å; D364-G411 PolarHBondContact OD2-N 3.28Å; S365-G411 VanDerWaalsContact OG-C 3.23Å; S365-G411 VanDerWaalsContact OG-CA 3.31Å; S365-G411 WeakPolarHBondContact OG-CA 3.41Å; L366-G411 VanDerWaalsContact CD1-CA 3.47Å; G411-V413 VanDerWaalsContact C-N 3.3Å; G411-V413 PolarHBondContact O-N 3.25Å
412	S	93	Very high	91.3	Very high	8 Å²	8	51.8 Å²	51.8	6%	0.056	28%	0.276	C	S	.	.	S	Bend	trans	-85.1	-5.9	-178.3	-57.2	0	0	0	0	112.9	W359 Y361 N363 D364 S365 F468	W359-S412 WeakPolarHBondContact CH2-O 3.46Å; Y361-S412 WeakPolarHBondContact CD2-O 3.44Å; N363-S412 PolarHBondContact O-OG 2.87Å; D364-S412 WeakPolarHBondContact CA-OG 3.4Å; D364-S412 PolarHBondContact OD1-N 3.2Å; S365-S412 PolarHBondContact N-OG 3.45Å; S412-F468 PolarHBondContact O-N 3.04Å
413	V	93.2	Very high	91.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117	-172.1	-177.3	0	0	0	0	110.9	W359 Y372 L410 G411 G439 L440 L462 V465	W359-V413 HydrophobicContact CH2-CB 4.19Å; W359-V413 HydrophobicContact CH2-CG2 3.51Å; W359-V413 HydrophobicContact CZ3-CG2 3.68Å; Y372-V413 HydrophobicContact CE1-CG2 3.8Å; Y372-V413 WeakPolarHBondContact OH-CG2 3.34Å; L410-V413 HydrophobicContact CB-CB 3.95Å; L410-V413 HydrophobicContact CB-CG2 3.94Å; L410-V413 HydrophobicContact CD1-CB 4.41Å; L410-V413 HydrophobicContact CD1-CG2 4.03Å; G411-V413 VanDerWaalsContact C-N 3.3Å; G411-V413 PolarHBondContact O-N 3.25Å; V413-G439 CarbonylContact O-C 3.27Å; V413-G439 VanDerWaalsContact O-C 3.27Å; V413-G439 VanDerWaalsContact O-CA 3.28Å; V413-G439 WeakPolarHBondContact O-CA 3.33Å; V413-L440 HydrophobicContact CB-CB 4.46Å; V413-L440 HydrophobicContact CG1-CB 4.4Å; V413-L440 HydrophobicContact CG1-CD2 4.12Å; V413-L440 PolarHBondContact O-N 2.89Å; V413-L462 HydrophobicContact CG1-CD1 4.19Å; V413-L462 HydrophobicContact CG2-CD1 4.49Å; V413-V465 HydrophobicContact CG1-CB 3.72Å; V413-V465 HydrophobicContact CG1-CG1 3.81Å; V413-V465 HydrophobicContact CG1-CG2 4.16Å
414	Q	90.9	Very high	91.5	Very high	85 Å²	85	49.2 Å²	49.2	40%	0.397	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.6	171.5	-168.4	155.2	25.1	0	0	111.5	V465 A466 F468	Q414-V465 WeakPolarHBondContact O-CA 3.41Å; Q414-A466 PolarHBondContact N-O 2.89Å; Q414-A466 PolarHBondContact O-N 3.08Å; Q414-F468 HydrophobicContact CB-CB 4.22Å; Q414-F468 HydrophobicContact CB-CD2 4.26Å; Q414-F468 HydrophobicContact CG-CD2 4.45Å
415	G	87.8	Confident	91.4	Very high	24 Å²	24	41.1 Å²	41.1	25%	0.247	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	153.9	170.9	0	0	0	0	0	112.9	T419	G415-T419 VanDerWaalsContact CA-OG1 3.32Å; G415-T419 WeakPolarHBondContact CA-OG1 3.41Å
416	T	84.1	Confident	91.2	Very high	72 Å²	72	38 Å²	38	44%	0.442	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	173.3	171.2	72	0	0	0	0	109.7	M418 T419 G464	T416-M418 PolarHBondContact O-N 3.44Å; T416-M418 VanDerWaalsContact O-N 3.1Å; T416-M418 PolarHBondContact OG1-N 3.05Å; T416-T419 PolarHBondContact N-OG1 3.37Å; T416-T419 WeakPolarHBondContact O-CB 3.49Å; T416-T419 PolarHBondContact O-N 2.82Å; T416-T419 PolarHBondContact O-OG1 3.08Å; T416-T419 PolarHBondContact OG1-N 2.98Å; T416-G464 PolarHBondContact OG1-O 3.22Å
417	T	83.8	Confident	90.7	Very high	149 Å²	149	41.7 Å²	41.7	91%	0.914	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	-13.5	172.5	56.9	0	0	0	0	113.6
418	M	86	Confident	90.3	Very high	137 Å²	137	44.7 Å²	44.7	68%	0.675	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	5.1	177.4	-60.6	-57.9	-59.1	0	0	112.5	T416 E420	T416-M418 PolarHBondContact O-N 3.44Å; T416-M418 VanDerWaalsContact O-N 3.1Å; T416-M418 PolarHBondContact OG1-N 3.05Å; M418-E420 PolarHBondContact O-N 3.43Å
419	T	91.3	Very high	90	Very high	14 Å²	14	49.8 Å²	49.8	9%	0.086	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	125.2	-178.3	-65.5	0	0	0	0	111.1	G415 T416 T432 L440 C463 G464 V465	G415-T419 VanDerWaalsContact CA-OG1 3.32Å; G415-T419 WeakPolarHBondContact CA-OG1 3.41Å; T416-T419 PolarHBondContact N-OG1 3.37Å; T416-T419 WeakPolarHBondContact O-CB 3.49Å; T416-T419 PolarHBondContact O-N 2.82Å; T416-T419 PolarHBondContact O-OG1 3.08Å; T416-T419 PolarHBondContact OG1-N 2.98Å; T419-T432 HydrophobicContact CG2-CG2 4.25Å; T419-L440 HydrophobicContact CG2-CD1 4.31Å; T419-L440 HydrophobicContact CG2-CD2 4.01Å; T419-C463 WeakPolarHBondContact CA-O 3.48Å; T419-G464 PolarHBondContact OG1-O 3.01Å; T419-V465 HydrophobicContact CG2-CG1 3.62Å
420	E	93.1	Very high	90	Very high	51 Å²	51	47.6 Å²	47.6	24%	0.238	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.2	169.7	-55.9	-169.6	151	0	0	109.3	L389 P390 M418 K429 L462 C463	L389-E420 HydrophobicContact CD2-CB 3.45Å; L389-E420 VanDerWaalsContact CD2-CB 3.45Å; L389-E420 HydrophobicContact CD2-CG 4.4Å; L389-E420 WeakPolarHBondContact CD2-OE2 3.48Å; P390-E420 WeakPolarHBondContact CD-OE2 3.44Å; M418-E420 PolarHBondContact O-N 3.43Å; E420-K429 IonicContact OE1-NZ 3.95Å; E420-K429 PolarHBondContact OE1-NZ 3.38Å; E420-K429 WeakPolarHBondContact OE2-CE 3.45Å; E420-K429 IonicContact OE2-NZ 3.58Å; E420-K429 PolarHBondContact OE2-NZ 2.91Å; E420-L462 WeakPolarHBondContact O-CA 3.28Å; E420-C463 PolarHBondContact N-O 3.25Å; E420-C463 VanDerWaalsContact N-O 3.14Å; E420-C463 PolarHBondContact O-N 3.43Å
421	A	94.9	Very high	90	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.1	-179.6	0	0	0	0	0	109.9	K429 L430 T432 I442 V460 K461 L462	A421-K429 WeakPolarHBondContact O-CA 3.2Å; A421-L430 HydrophobicContact CB-CB 4.1Å; A421-L430 HydrophobicContact CB-CD1 4.4Å; A421-L430 PolarHBondContact O-N 3.32Å; A421-T432 HydrophobicContact CB-CG2 3.51Å; A421-I442 HydrophobicContact CB-CD1 4.43Å; A421-I442 HydrophobicContact CB-CG2 4.46Å; A421-V460 HydrophobicContact CB-CG1 3.96Å; A421-K461 WeakPolarHBondContact CA-O 3.4Å; A421-L462 HydrophobicContact CB-CD2 3.6Å
422	I	94.2	Very high	90	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.092	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.8	173.1	27.2	164.8	0	0	0	109.3	L389 D428 K429 V460 K461	L389-I422 HydrophobicContact CD1-CD1 3.87Å; L389-I422 HydrophobicContact CD1-CG1 3.7Å; L389-I422 HydrophobicContact CD2-CD1 4.25Å; L389-I422 HydrophobicContact CD2-CG1 4.05Å; L389-I422 HydrophobicContact CG-CD1 3.62Å; L389-I422 HydrophobicContact CG-CG1 3.78Å; I422-D428 WeakPolarHBondContact CG2-O 3.41Å; I422-K429 HydrophobicContact CG2-CG 4.27Å; I422-V460 WeakPolarHBondContact O-CA 3.26Å; I422-K461 HydrophobicContact CD1-CB 4.48Å; I422-K461 HydrophobicContact CD1-CD 4.07Å; I422-K461 HydrophobicContact CG1-CB 4.17Å; I422-K461 PolarHBondContact N-O 2.86Å; I422-K461 PolarHBondContact O-N 3.01Å
423	L	93.1	Very high	89.9	Confident	2 Å²	2	59 Å²	59	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.5	169.9	-173.6	64.1	0	0	0	109	F399 W402 G425 S426 L430 P445 F448 W458 V460	F399-L423 HydrophobicContact CE1-CD1 4.32Å; F399-L423 HydrophobicContact CZ-CD1 4.24Å; W402-L423 HydrophobicContact CH2-CD2 3.76Å; W402-L423 HydrophobicContact CZ3-CD2 4.28Å; L423-G425 PolarHBondContact O-N 3.41Å; L423-S426 WeakPolarHBondContact O-CB 3.38Å; L423-S426 PolarHBondContact O-N 3.29Å; L423-L430 HydrophobicContact CB-CD1 4.15Å; L423-L430 HydrophobicContact CB-CD2 4.38Å; L423-P445 HydrophobicContact CD2-CG 4.21Å; L423-F448 HydrophobicContact CD2-CB 3.93Å; L423-F448 HydrophobicContact CD2-CD1 3.71Å; L423-F448 HydrophobicContact CD2-CD2 3.38Å; L423-F448 HydrophobicContact CD2-CE1 3.96Å; L423-F448 HydrophobicContact CD2-CE2 3.66Å; L423-F448 HydrophobicContact CD2-CG 3.39Å; L423-F448 HydrophobicContact CD2-CZ 3.93Å; L423-F448 HydrophobicContact CG-CD1 4.42Å; L423-F448 HydrophobicContact CG-CD2 4.42Å; L423-F448 HydrophobicContact CG-CE1 4.24Å; L423-F448 HydrophobicContact CG-CE2 4.25Å; L423-F448 HydrophobicContact CG-CG 4.49Å; L423-F448 HydrophobicContact CG-CZ 4.14Å; L423-W458 HydrophobicContact CD1-CB 4.27Å; L423-V460 HydrophobicContact CD1-CG2 4.36Å
424	M	91.7	Very high	89.5	Confident	23 Å²	23	64 Å²	64	11%	0.113	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	135	-179.7	-64.3	-166.8	79.5	0	0	110.9	D348 T349 E351 A352 Y396 S426 F448 V459 K461	D348-M424 WeakPolarHBondContact O-CE 3.46Å; T349-M424 HydrophobicContact CG2-CB 4.48Å; E351-M424 HydrophobicContact CB-CE 3.77Å; A352-M424 HydrophobicContact CB-SD 3.87Å; Y396-M424 HydrophobicContact CD1-SD 4.02Å; Y396-M424 HydrophobicContact CE1-SD 4.38Å; M424-S426 VanDerWaalsContact C-N 3.34Å; M424-F448 WeakPolarHBondContact O-CZ 3.36Å; M424-V459 HydrophobicContact CB-CB 4.21Å; M424-V459 HydrophobicContact CG-CB 4Å; M424-V459 HydrophobicContact CG-CG1 4.14Å; M424-V459 WeakPolarHBondContact CG-O 3.48Å; M424-V459 PolarHBondContact N-O 3.34Å; M424-V459 HydrophobicContact SD-CB 3.75Å; M424-V459 HydrophobicContact SD-CG1 3.52Å; M424-V459 VanDerWaalsContact SD-CG1 3.52Å; M424-K461 HydrophobicContact CG-CB 4.17Å
425	G	87.8	Confident	88.7	Confident	37 Å²	37	60.7 Å²	60.7	38%	0.381	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-14.1	-169.1	0	0	0	0	0	114.3	L423	L423-G425 PolarHBondContact O-N 3.41Å
426	S	86.6	Confident	87.8	Confident	40 Å²	40	68 Å²	68	28%	0.28	38%	0.379	S	S	.	.			trans	-102.1	165.3	169.1	-172.6	0	0	0	0	111.8	L423 M424 D428	L423-S426 WeakPolarHBondContact O-CB 3.38Å; L423-S426 PolarHBondContact O-N 3.29Å; M424-S426 VanDerWaalsContact C-N 3.34Å; S426-D428 PolarHBondContact OG-N 3.49Å
427	S	81.9	Confident	86.9	Confident	90 Å²	90	71.5 Å²	71.5	63%	0.629	39%	0.39	S	S	*	.			trans	-107.7	-4.4	169.9	-58.8	0	0	0	0	113.1	I388	I388-S427 WeakPolarHBondContact CD1-O 3.44Å
428	D	83.9	Confident	86.2	Confident	117 Å²	117	66.9 Å²	66.9	63%	0.626	36%	0.364	S	S	*	.	S	Bend	trans	-90.2	129.5	-173.5	-61.8	-38.3	0	0	0	111.8	I422 S426	I422-D428 WeakPolarHBondContact CG2-O 3.41Å; S426-D428 PolarHBondContact OG-N 3.49Å
429	K	90.3	Very high	86.4	Confident	108 Å²	108	60.5 Å²	60.5	47%	0.47	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.1	171.2	-67.8	-173.5	178.4	-176.6	0	109.8	E420 A421 I422	E420-K429 IonicContact OE1-NZ 3.95Å; E420-K429 PolarHBondContact OE1-NZ 3.38Å; E420-K429 WeakPolarHBondContact OE2-CE 3.45Å; E420-K429 IonicContact OE2-NZ 3.58Å; E420-K429 PolarHBondContact OE2-NZ 2.91Å; A421-K429 WeakPolarHBondContact O-CA 3.2Å; I422-K429 HydrophobicContact CG2-CG 4.27Å
430	L	94.5	Very high	86.5	Confident	23 Å²	23	60 Å²	60	12%	0.12	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	151.5	175.4	-56.4	173.9	0	0	0	110.2	A421 L423 I442 L444 V460	A421-L430 HydrophobicContact CB-CB 4.1Å; A421-L430 HydrophobicContact CB-CD1 4.4Å; A421-L430 PolarHBondContact O-N 3.32Å; L423-L430 HydrophobicContact CB-CD1 4.15Å; L423-L430 HydrophobicContact CB-CD2 4.38Å; L430-I442 HydrophobicContact CB-CG2 3.71Å; L430-I442 HydrophobicContact CD1-CG2 3.54Å; L430-I442 HydrophobicContact CG-CG2 4.26Å; L430-L444 HydrophobicContact CD1-CD2 4.09Å; L430-V460 HydrophobicContact CD1-CG1 4Å; L430-V460 HydrophobicContact CD1-CG2 4.2Å
431	I	93.8	Very high	86.5	Confident	103 Å²	103	59.7 Å²	59.7	53%	0.528	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.2	173.8	-59.5	169.2	0	0	0	108	Q433 I442 T443	I431-Q433 HydrophobicContact CG2-CG 4.49Å; I431-I442 WeakPolarHBondContact O-CA 3.33Å; I431-T443 PolarHBondContact O-N 3.02Å
432	T	93.9	Very high	86.5	Confident	39 Å²	39	59.7 Å²	59.7	24%	0.239	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.5	179	58.9	0	0	0	0	110.5	T419 A421 K441 I442	T419-T432 HydrophobicContact CG2-CG2 4.25Å; A421-T432 HydrophobicContact CB-CG2 3.51Å; T432-K441 CarbonylContact C-O 3.58Å; T432-K441 WeakPolarHBondContact CA-O 3.32Å; T432-I442 HydrophobicContact CG2-CG1 4.38Å
433	Q	91.6	Very high	86.6	Confident	107 Å²	107	61.6 Å²	61.6	50%	0.5	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.2	178.1	-63	177.6	0.8	0	0	109.4	I431 K441	I431-Q433 HydrophobicContact CG2-CG 4.49Å; Q433-K441 HydrophobicContact CB-CB 4.4Å; Q433-K441 PolarHBondContact N-O 3.01Å; Q433-K441 PolarHBondContact O-N 2.94Å
434	P	84.5	Confident	86.6	Confident	106 Å²	106	62 Å²	62	69%	0.688	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	145.8	169.2	-21.9	33.3	0	0	0	111.7	G439	P434-G439 CarbonylContact C-O 3.59Å; P434-G439 WeakPolarHBondContact CA-O 3.22Å
435	T	73.6	Confident	86.5	Confident	14 Å²	14	63.2 Å²	63.2	9%	0.086	35%	0.352	C	S	.	.			trans	-77.9	161	168.2	67.5	0	0	0	0	110.6	Q437 S438 G439 K441	T435-Q437 VanDerWaalsContact C-N 3.26Å; T435-Q437 PolarHBondContact O-N 3.39Å; T435-S438 WeakPolarHBondContact OG1-CA 3.18Å; T435-S438 PolarHBondContact OG1-N 3.43Å; T435-G439 VanDerWaalsContact CG2-C 3.5Å; T435-G439 PolarHBondContact N-O 2.89Å; T435-G439 WeakPolarHBondContact OG1-CA 3.3Å; T435-G439 PolarHBondContact OG1-N 3.03Å; T435-K441 HydrophobicContact CG2-CG 3.54Å
436	E	68.4	Low	86.2	Confident	179 Å²	179	71.1 Å²	71.1	84%	0.836	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.6	175.5	-69.4	171.8	-152.9	0	0	112.7	K441	E436-K441 IonicContact OE1-NZ 3.91Å
437	Q	65.7	Low	85.6	Confident	144 Å²	144	75 Å²	75	67%	0.673	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	25.9	-177.9	-64.5	176.7	-24.4	0	0	112.1	T435	T435-Q437 VanDerWaalsContact C-N 3.26Å; T435-Q437 PolarHBondContact O-N 3.39Å
438	S	70.4	Confident	85.3	Confident	52 Å²	52	72.6 Å²	72.6	36%	0.364	38%	0.377	S	S	.	.	S	Bend	trans	59.5	109.6	-177	41.8	0	0	0	0	115.1	T435 F468	T435-S438 WeakPolarHBondContact OG1-CA 3.18Å; T435-S438 PolarHBondContact OG1-N 3.43Å; S438-F468 VanDerWaalsContact OG-CE2 3.3Å; S438-F468 WeakPolarHBondContact OG-CE2 3.49Å; S438-F468 WeakPolarHBondContact OG-CZ 3.1Å
439	G	88.5	Confident	84.5	Confident	4 Å²	4	71.6 Å²	71.6	4%	0.041	38%	0.379	C	S	.	.	S	Bend	trans	160	-166.9	-166.6	0	0	0	0	0	110.2	L410 V413 P434 T435	L410-G439 CarbonylContact O-C 3.57Å; L410-G439 WeakPolarHBondContact O-CA 3.44Å; V413-G439 CarbonylContact O-C 3.27Å; V413-G439 VanDerWaalsContact O-C 3.27Å; V413-G439 VanDerWaalsContact O-CA 3.28Å; V413-G439 WeakPolarHBondContact O-CA 3.33Å; P434-G439 CarbonylContact C-O 3.59Å; P434-G439 WeakPolarHBondContact CA-O 3.22Å; T435-G439 VanDerWaalsContact CG2-C 3.5Å; T435-G439 PolarHBondContact N-O 2.89Å; T435-G439 WeakPolarHBondContact OG1-CA 3.3Å; T435-G439 PolarHBondContact OG1-N 3.03Å
440	L	93.4	Very high	83.3	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.1	-176.6	-169.1	65.6	0	0	0	112.5	L410 V413 T419 I442 L462 V465	L410-L440 HydrophobicContact CB-CB 4.38Å; L410-L440 PolarHBondContact N-O 2.9Å; L410-L440 PolarHBondContact O-N 2.91Å; V413-L440 HydrophobicContact CB-CB 4.46Å; V413-L440 HydrophobicContact CG1-CB 4.4Å; V413-L440 HydrophobicContact CG1-CD2 4.12Å; V413-L440 PolarHBondContact O-N 2.89Å; T419-L440 HydrophobicContact CG2-CD1 4.31Å; T419-L440 HydrophobicContact CG2-CD2 4.01Å; L440-I442 HydrophobicContact CD2-CD1 4.02Å; L440-I442 HydrophobicContact CD2-CG1 4.1Å; L440-I442 HydrophobicContact CG-CD1 4.47Å; L440-I442 HydrophobicContact CG-CG1 4.03Å; L440-L462 HydrophobicContact CD2-CD2 3.95Å; L440-V465 HydrophobicContact CD2-CG1 4.36Å
441	K	94	Very high	81.6	Confident	45 Å²	45	72.2 Å²	72.2	20%	0.196	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.9	165.5	-63.3	-173	176	173.5	0	109.4	I407 L408 Q409 T432 Q433 T435 E436	I407-K441 HydrophobicContact CG2-CB 4.08Å; I407-K441 HydrophobicContact CG2-CD 4.39Å; I407-K441 HydrophobicContact CG2-CG 4.32Å; L408-K441 CarbonylContact O-C 3.49Å; L408-K441 WeakPolarHBondContact O-CA 3.16Å; Q409-K441 HydrophobicContact CG-CG 4.37Å; T432-K441 CarbonylContact C-O 3.58Å; T432-K441 WeakPolarHBondContact CA-O 3.32Å; Q433-K441 HydrophobicContact CB-CB 4.4Å; Q433-K441 PolarHBondContact N-O 3.01Å; Q433-K441 PolarHBondContact O-N 2.94Å; T435-K441 HydrophobicContact CG2-CG 3.54Å; E436-K441 IonicContact OE1-NZ 3.91Å
442	I	95.5	Very high	79.8	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.5	177.8	-51.9	-178.1	0	0	0	108.6	L408 L410 A421 L430 I431 T432 L440 L444 V460 L462	L408-I442 HydrophobicContact CB-CB 4.38Å; L408-I442 PolarHBondContact N-O 2.82Å; L408-I442 PolarHBondContact O-N 2.78Å; L410-I442 HydrophobicContact CD1-CD1 3.82Å; L410-I442 HydrophobicContact CG-CD1 4.48Å; A421-I442 HydrophobicContact CB-CD1 4.43Å; A421-I442 HydrophobicContact CB-CG2 4.46Å; L430-I442 HydrophobicContact CB-CG2 3.71Å; L430-I442 HydrophobicContact CD1-CG2 3.54Å; L430-I442 HydrophobicContact CG-CG2 4.26Å; I431-I442 WeakPolarHBondContact O-CA 3.33Å; T432-I442 HydrophobicContact CG2-CG1 4.38Å; L440-I442 HydrophobicContact CD2-CD1 4.02Å; L440-I442 HydrophobicContact CD2-CG1 4.1Å; L440-I442 HydrophobicContact CG-CD1 4.47Å; L440-I442 HydrophobicContact CG-CG1 4.03Å; I442-L444 HydrophobicContact CG2-CD2 4.4Å; I442-L444 PolarHBondContact O-N 3.27Å; I442-V460 HydrophobicContact CD1-CG1 3.94Å; I442-L462 HydrophobicContact CD1-CD2 3.73Å
443	T	95.3	Very high	78.2	Confident	58 Å²	58	72.7 Å²	72.7	36%	0.356	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	113.9	174.1	-51.6	0	0	0	0	109.4	I431	I431-T443 PolarHBondContact O-N 3.02Å
444	L	93.9	Very high	77.1	Confident	10 Å²	10	68 Å²	68	5%	0.052	38%	0.381	C	S	.	.			trans	-86.7	155.5	176.2	-62.3	177.5	0	0	0	110.8	F399 W402 P403 G406 L408 L430 I442 V460	F399-L444 HydrophobicContact CE2-CD1 3.99Å; F399-L444 HydrophobicContact CZ-CD1 4.04Å; F399-L444 HydrophobicContact CZ-CD2 4.34Å; W402-L444 HydrophobicContact CD2-CD1 4.31Å; W402-L444 HydrophobicContact CH2-CB 4.21Å; W402-L444 HydrophobicContact CH2-CD1 4.3Å; W402-L444 HydrophobicContact CH2-CD2 4.46Å; W402-L444 HydrophobicContact CZ2-CB 3.62Å; W402-L444 HydrophobicContact CZ2-CD1 4.06Å; W402-L444 HydrophobicContact CZ2-CG 4.34Å; P403-L444 HydrophobicContact CG-CD1 4.25Å; G406-L444 WeakPolarHBondContact O-CB 3.38Å; G406-L444 PolarHBondContact O-N 3Å; L408-L444 HydrophobicContact CB-CD1 4Å; L408-L444 HydrophobicContact CB-CG 4.26Å; L430-L444 HydrophobicContact CD1-CD2 4.09Å; I442-L444 HydrophobicContact CG2-CD2 4.4Å; I442-L444 PolarHBondContact O-N 3.27Å; L444-V460 HydrophobicContact CD2-CG2 4.4Å
445	P	89.5	Confident	76.8	Confident	49 Å²	49	66.7 Å²	66.7	32%	0.318	37%	0.368	S	S	.	.			trans	-62.3	155.4	170.9	27	-34.1	0	0	0	111.1	W402 L423 T447 F448	W402-P445 HydrophobicContact CH2-CG 4.06Å; W402-P445 HydrophobicContact CZ2-CG 3.91Å; W402-P445 VanDerWaalsContact CZ2-O 3.23Å; W402-P445 WeakPolarHBondContact CZ2-O 3.31Å; W402-P445 PolarHBondContact NE1-O 3.22Å; L423-P445 HydrophobicContact CD2-CG 4.21Å; P445-T447 PolarHBondContact O-N 2.83Å; P445-F448 HydrophobicContact CG-CB 4.22Å
446	K	81.5	Confident	77.2	Confident	202 Å²	202	66.9 Å²	66.9	88%	0.878	37%	0.369	S	S	*	.	S	Bend	trans	-57.3	-35.3	179.8	-72.1	-173.3	176.4	-176.3	0	113.1
447	T	73.5	Confident	78.3	Confident	123 Å²	123	58.4 Å²	58.4	76%	0.755	33%	0.33	S	S	*	.			trans	-141.7	143.7	173.8	54.4	0	0	0	0	108.7	P445	P445-T447 PolarHBondContact O-N 2.83Å
448	F	74.9	Confident	79.6	Confident	39 Å²	39	52.5 Å²	52.5	17%	0.171	30%	0.302	C	S	.	.			trans	-136.8	129.1	165.9	-177.3	-103.1	0	0	0	107.7	W402 L423 M424 P445 A450 N455 W458	W402-F448 HydrophobicContact CH2-CB 3.32Å; W402-F448 HydrophobicContact CH2-CG 4.15Å; W402-F448 HydrophobicContact CZ2-CB 3.93Å; W402-F448 HydrophobicContact CZ3-CB 3.75Å; W402-F448 HydrophobicContact CZ3-CD1 4.31Å; W402-F448 HydrophobicContact CZ3-CG 4.39Å; L423-F448 HydrophobicContact CD2-CB 3.93Å; L423-F448 HydrophobicContact CD2-CD1 3.71Å; L423-F448 HydrophobicContact CD2-CD2 3.38Å; L423-F448 HydrophobicContact CD2-CE1 3.96Å; L423-F448 HydrophobicContact CD2-CE2 3.66Å; L423-F448 HydrophobicContact CD2-CG 3.39Å; L423-F448 HydrophobicContact CD2-CZ 3.93Å; L423-F448 HydrophobicContact CG-CD1 4.42Å; L423-F448 HydrophobicContact CG-CD2 4.42Å; L423-F448 HydrophobicContact CG-CE1 4.24Å; L423-F448 HydrophobicContact CG-CE2 4.25Å; L423-F448 HydrophobicContact CG-CG 4.49Å; L423-F448 HydrophobicContact CG-CZ 4.14Å; M424-F448 WeakPolarHBondContact O-CZ 3.36Å; P445-F448 HydrophobicContact CG-CB 4.22Å; F448-A450 HydrophobicContact CE1-CB 4.06Å; F448-N455 PolarHBondContact O-OD1 3.45Å; F448-W458 AromaticContact CD1-CD1 3.48Å; F448-W458 VanDerWaalsContact CD1-CD1 3.48Å; F448-W458 AromaticContact CD1-NE1 3.76Å; F448-W458 AromaticContact CE1-CD1 3.85Å
449	S	68.5	Low	80.8	Confident	95 Å²	95	50.1 Å²	50.1	66%	0.664	29%	0.285	S	S	*	.			trans	-109	111.3	169.5	-173.7	0	0	0	0	105.4
450	A	64.6	Low	81.1	Confident	15 Å²	15	49.9 Å²	49.9	12%	0.124	28%	0.283	C	S	.	.			trans	-56.5	154.8	168	0	0	0	0	0	109.2	F448 G452 N455	F448-A450 HydrophobicContact CE1-CB 4.06Å; A450-G452 PolarHBondContact O-N 3.49Å; A450-N455 PolarHBondContact N-OD1 3.1Å
451	K	57.9	Low	81.2	Confident	130 Å²	130	50 Å²	50	57%	0.565	28%	0.283	S	S	*	.	S	Bend	trans	-65.1	123.1	174.8	-68.3	179.8	-163	135.4	0	109.1	D348	D348-K451 IonicContact OD1-NZ 2.84Å; D348-K451 PolarHBondContact OD1-NZ 3.27Å; D348-K451 IonicContact OD2-NZ 2.68Å
452	G	57.2	Low	81.3	Confident	57 Å²	57	47.9 Å²	47.9	59%	0.588	27%	0.274	S	S	*	.	S	Bend	trans	95.3	-152	168.4	0	0	0	0	0	114.8	A450	A450-G452 PolarHBondContact O-N 3.49Å
453	V	59.7	Low	81.1	Confident	94 Å²	94	48.2 Å²	48.2	57%	0.57	28%	0.276	S	S	*	.	S	Bend	trans	-79.1	-22.6	-158.3	-171.8	0	0	0	0	113.1
454	V	68.1	Low	80.9	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.055	28%	0.276	C	S	.	.			trans	-107	107.3	-171.2	-175.6	0	0	0	0	110.1	A302 I306 C456	A302-V454 HydrophobicContact CB-CG2 4.13Å; I306-V454 HydrophobicContact CD1-CB 4.41Å; I306-V454 HydrophobicContact CD1-CG1 3.59Å; I306-V454 HydrophobicContact CD1-CG2 4.2Å; V454-C456 WeakPolarHBondContact CG1-SG 3.07Å
455	N	78.5	Confident	80.7	Confident	79 Å²	79	48 Å²	48	42%	0.422	28%	0.282	S	S	.	.			trans	-119.1	50.8	174.7	-163.1	42	0	0	0	111.8	F448 A450 W458	F448-N455 PolarHBondContact O-OD1 3.45Å; A450-N455 PolarHBondContact N-OD1 3.1Å; N455-W458 VanDerWaalsContact O-CZ2 3.29Å; N455-W458 WeakPolarHBondContact O-CZ2 3.24Å; N455-W458 PolarHBondContact OD1-NE1 2.79Å; N455-W458 VanDerWaalsContact OD1-NE1 3.11Å
456	C	82	Confident	80.6	Confident	17 Å²	17	47.5 Å²	47.5	12%	0.115	28%	0.282	C	S	.	.	S	Bend	trans	-135.5	0.2	-176.4	58.9	0	0	0	0	113.9	E303 F400 V454	E303-C456 HydrophobicContact CB-CB 4.19Å; E303-C456 WeakPolarHBondContact CB-SG 3.25Å; E303-C456 HydrophobicContact CG-CB 3.71Å; E303-C456 VanDerWaalsContact CG-SG 3.51Å; E303-C456 WeakPolarHBondContact OE2-CB 3.47Å; F400-C456 WeakPolarHBondContact CA-O 3.28Å; V454-C456 WeakPolarHBondContact CG1-SG 3.07Å
457	C	91.5	Very high	81	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.014	25%	0.251	C	S	.	.			trans	-147.5	121.8	176	-176.4	0	0	0	0	110.6	I306 I310 W345 F400	I306-C457 HydrophobicContact CG2-CB 3.85Å; I310-C457 WeakPolarHBondContact CD1-SG 3.42Å; W345-C457 PolarHBondContact NE1-O 3.47Å; W345-C457 VanDerWaalsContact NE1-O 3.13Å; F400-C457 HydrophobicContact CD1-CB 3.86Å; F400-C457 HydrophobicContact CE1-CB 3.89Å; F400-C457 VanDerWaalsContact CE1-SG 3.58Å
458	W	93.6	Very high	81.5	Confident	19 Å²	19	35 Å²	35	7%	0.072	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	158	-177.2	-54.9	-81.2	0	0	0	110.5	F398 F399 F400 W402 L423 F448 N455	F398-W458 WeakPolarHBondContact CA-O 2.97Å; F399-W458 HydrophobicContact CD1-CB 4.09Å; F399-W458 VanDerWaalsContact CD1-O 3.31Å; F399-W458 WeakPolarHBondContact CD1-O 3.25Å; F399-W458 HydrophobicContact CD2-CB 4.38Å; F399-W458 AromaticContact CD2-CE3 3.86Å; F399-W458 HydrophobicContact CD2-CE3 3.86Å; F399-W458 HydrophobicContact CE1-CB 3.45Å; F399-W458 VanDerWaalsContact CE1-CB 3.45Å; F399-W458 HydrophobicContact CE2-CB 3.82Å; F399-W458 HydrophobicContact CE2-CD2 4.14Å; F399-W458 AromaticContact CE2-CE3 3.69Å; F399-W458 HydrophobicContact CE2-CE3 3.69Å; F399-W458 HydrophobicContact CE2-CG 4.24Å; F399-W458 HydrophobicContact CZ-CB 3.33Å; F399-W458 HydrophobicContact CZ-CD2 4.45Å; F399-W458 HydrophobicContact CZ-CE3 4.4Å; F399-W458 HydrophobicContact CZ-CG 4.08Å; F399-W458 PolarHBondContact N-O 3.38Å; F399-W458 PolarHBondContact O-N 3.24Å; F400-W458 WeakPolarHBondContact O-CZ3 3.41Å; W402-W458 HydrophobicContact CB-CH2 3.94Å; W402-W458 HydrophobicContact CB-CZ3 3.97Å; W402-W458 AromaticContact CE3-CD2 3.55Å; W402-W458 HydrophobicContact CE3-CD2 3.55Å; W402-W458 AromaticContact CE3-CE2 3.66Å; W402-W458 AromaticContact CE3-CE3 3.87Å; W402-W458 HydrophobicContact CE3-CE3 3.87Å; W402-W458 AromaticContact CE3-CG 3.94Å; W402-W458 HydrophobicContact CE3-CG 3.94Å; W402-W458 HydrophobicContact CE3-CH2 4.35Å; W402-W458 HydrophobicContact CE3-CZ2 4.07Å; W402-W458 HydrophobicContact CE3-CZ3 4.25Å; W402-W458 HydrophobicContact CZ3-CB 4.32Å; W402-W458 AromaticContact CZ3-CD1 3.85Å; W402-W458 AromaticContact CZ3-CD2 3.89Å; W402-W458 HydrophobicContact CZ3-CD2 3.89Å; W402-W458 AromaticContact CZ3-CG 3.75Å; W402-W458 HydrophobicContact CZ3-CG 3.75Å; L423-W458 HydrophobicContact CD1-CB 4.27Å; F448-W458 AromaticContact CD1-CD1 3.48Å; F448-W458 VanDerWaalsContact CD1-CD1 3.48Å; F448-W458 AromaticContact CD1-NE1 3.76Å; F448-W458 AromaticContact CE1-CD1 3.85Å; N455-W458 VanDerWaalsContact O-CZ2 3.29Å; N455-W458 WeakPolarHBondContact O-CZ2 3.24Å; N455-W458 PolarHBondContact OD1-NE1 2.79Å; N455-W458 VanDerWaalsContact OD1-NE1 3.11Å
459	V	95.2	Very high	81.2	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.1	-176.9	-169.9	0	0	0	0	110.2	W345 T349 A352 Y396 A397 F398 M424	W345-V459 HydrophobicContact CZ2-CG2 4.31Å; T349-V459 HydrophobicContact CG2-CB 4.33Å; T349-V459 HydrophobicContact CG2-CG2 3.68Å; A352-V459 HydrophobicContact CB-CG1 3.88Å; Y396-V459 HydrophobicContact CD1-CG1 4.45Å; A397-V459 WeakPolarHBondContact O-CA 3.39Å; F398-V459 HydrophobicContact CD1-CB 4.44Å; F398-V459 HydrophobicContact CD1-CG1 4.31Å; F398-V459 HydrophobicContact CD1-CG2 3.36Å; F398-V459 HydrophobicContact CE1-CG1 4.26Å; F398-V459 HydrophobicContact CE1-CG2 3.56Å; F398-V459 HydrophobicContact CG-CG2 4.21Å; M424-V459 HydrophobicContact CB-CB 4.21Å; M424-V459 HydrophobicContact CG-CB 4Å; M424-V459 HydrophobicContact CG-CG1 4.14Å; M424-V459 WeakPolarHBondContact CG-O 3.48Å; M424-V459 PolarHBondContact N-O 3.34Å; M424-V459 HydrophobicContact SD-CB 3.75Å; M424-V459 HydrophobicContact SD-CG1 3.52Å; M424-V459 VanDerWaalsContact SD-CG1 3.52Å
460	V	95.7	Very high	80.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.8	166.4	-175.8	0	0	0	0	108.9	Y396 A397 F399 L408 A421 I422 L423 L430 I442 L444 L462	Y396-V460 WeakPolarHBondContact CA-O 3.32Å; A397-V460 HydrophobicContact CB-CB 4.49Å; A397-V460 PolarHBondContact N-O 3.22Å; A397-V460 PolarHBondContact O-N 3.09Å; F399-V460 HydrophobicContact CD1-CG2 4.45Å; F399-V460 HydrophobicContact CE1-CG2 3.74Å; F399-V460 HydrophobicContact CZ-CG2 4.5Å; L408-V460 HydrophobicContact CD2-CG2 3.97Å; A421-V460 HydrophobicContact CB-CG1 3.96Å; I422-V460 WeakPolarHBondContact O-CA 3.26Å; L423-V460 HydrophobicContact CD1-CG2 4.36Å; L430-V460 HydrophobicContact CD1-CG1 4Å; L430-V460 HydrophobicContact CD1-CG2 4.2Å; I442-V460 HydrophobicContact CD1-CG1 3.94Å; L444-V460 HydrophobicContact CD2-CG2 4.4Å; V460-L462 HydrophobicContact CG1-CD2 3.79Å; V460-L462 HydrophobicContact CG1-CG 4.15Å
461	K	95.3	Very high	79.6	Confident	5 Å²	5	53.9 Å²	53.9	2%	0.022	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.2	170.1	176.9	-178.4	178.2	176.2	0	109.2	E351 S387 L389 Y394 Y396 A421 I422 M424	E351-K461 VanDerWaalsContact OE1-CE 3.28Å; E351-K461 WeakPolarHBondContact OE1-CE 3.26Å; E351-K461 IonicContact OE1-NZ 2.76Å; E351-K461 PolarHBondContact OE1-NZ 3.36Å; E351-K461 IonicContact OE2-NZ 2.99Å; E351-K461 PolarHBondContact OE2-NZ 3.21Å; S387-K461 PolarHBondContact OG-NZ 3.09Å; S387-K461 VanDerWaalsContact OG-NZ 3.14Å; L389-K461 HydrophobicContact CD1-CD 4.15Å; L389-K461 HydrophobicContact CD1-CG 3.91Å; Y394-K461 HydrophobicContact CD1-CD 4.47Å; Y394-K461 HydrophobicContact CD1-CG 4.37Å; Y394-K461 VanDerWaalsContact CE1-CE 3.5Å; Y394-K461 VanDerWaalsContact CG-CE 3.48Å; Y396-K461 HydrophobicContact CD1-CB 3.93Å; Y396-K461 HydrophobicContact CD1-CG 3.96Å; Y396-K461 HydrophobicContact CE1-CB 4.06Å; Y396-K461 HydrophobicContact CE1-CD 3.78Å; Y396-K461 HydrophobicContact CE1-CG 3.65Å; A421-K461 WeakPolarHBondContact CA-O 3.4Å; I422-K461 HydrophobicContact CD1-CB 4.48Å; I422-K461 HydrophobicContact CD1-CD 4.07Å; I422-K461 HydrophobicContact CG1-CB 4.17Å; I422-K461 PolarHBondContact N-O 2.86Å; I422-K461 PolarHBondContact O-N 3.01Å; M424-K461 HydrophobicContact CG-CB 4.17Å
462	L	94.8	Very high	80.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.4	-175.8	-58.5	165.1	0	0	0	110.3	Y394 V395 A397 L410 V413 E420 A421 L440 I442 V460 V465	Y394-L462 VanDerWaalsContact CA-O 3.29Å; Y394-L462 WeakPolarHBondContact CA-O 3.42Å; V395-L462 HydrophobicContact CB-CB 4.33Å; V395-L462 HydrophobicContact CG1-CD1 4.47Å; V395-L462 PolarHBondContact N-O 2.79Å; V395-L462 WeakPolarHBondContact O-CB 3.27Å; V395-L462 PolarHBondContact O-N 3.28Å; A397-L462 HydrophobicContact CB-CD1 4.44Å; L410-L462 HydrophobicContact CD1-CD1 3.85Å; V413-L462 HydrophobicContact CG1-CD1 4.19Å; V413-L462 HydrophobicContact CG2-CD1 4.49Å; E420-L462 WeakPolarHBondContact O-CA 3.28Å; A421-L462 HydrophobicContact CB-CD2 3.6Å; L440-L462 HydrophobicContact CD2-CD2 3.95Å; I442-L462 HydrophobicContact CD1-CD2 3.73Å; V460-L462 HydrophobicContact CG1-CD2 3.79Å; V460-L462 HydrophobicContact CG1-CG 4.15Å; L462-V465 HydrophobicContact CB-CG1 4.14Å; L462-V465 HydrophobicContact CB-CG2 4.05Å
463	C	92.6	Very high	81.9	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.054	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158.5	164.2	72.2	0	0	0	0	110.8	L389 Y394 T419 E420	L389-C463 HydrophobicContact CB-CB 4.45Å; L389-C463 HydrophobicContact CD1-CB 3.99Å; Y394-C463 HydrophobicContact CD1-CB 3.88Å; Y394-C463 HydrophobicContact CE1-CB 4.01Å; T419-C463 WeakPolarHBondContact CA-O 3.48Å; E420-C463 PolarHBondContact N-O 3.25Å; E420-C463 VanDerWaalsContact N-O 3.14Å; E420-C463 PolarHBondContact O-N 3.43Å
464	G	89.9	Confident	83.1	Confident	34 Å²	34	47.3 Å²	47.3	35%	0.351	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68	36.8	-178.9	0	0	0	0	0	112.7	T416 T419	T416-G464 PolarHBondContact OG1-O 3.22Å; T419-G464 PolarHBondContact OG1-O 3.01Å
465	V	90.4	Very high	84	Confident	29 Å²	29	49.5 Å²	49.5	18%	0.176	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	156.7	177.9	-63.2	0	0	0	0	110.6	V395 V413 Q414 T419 L440 L462	V395-V465 HydrophobicContact CB-CG2 3.96Å; V395-V465 HydrophobicContact CG2-CG2 3.67Å; V413-V465 HydrophobicContact CG1-CB 3.72Å; V413-V465 HydrophobicContact CG1-CG1 3.81Å; V413-V465 HydrophobicContact CG1-CG2 4.16Å; Q414-V465 WeakPolarHBondContact O-CA 3.41Å; T419-V465 HydrophobicContact CG2-CG1 3.62Å; L440-V465 HydrophobicContact CD2-CG1 4.36Å; L462-V465 HydrophobicContact CB-CG1 4.14Å; L462-V465 HydrophobicContact CB-CG2 4.05Å
466	A	88.5	Confident	84.4	Confident	38 Å²	38	47.7 Å²	47.7	31%	0.314	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	161	173.9	0	0	0	0	0	110.5	Q414	Q414-A466 PolarHBondContact N-O 2.89Å; Q414-A466 PolarHBondContact O-N 3.08Å
467	P	88.7	Confident	84.5	Confident	36 Å²	36	49.7 Å²	49.7	23%	0.234	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	141.8	163.2	-17	31.1	0	0	0	109.4	W359 V360 Y361 D469	W359-P467 HydrophobicContact CZ2-CB 4.28Å; W359-P467 HydrophobicContact CZ2-CG 4.12Å; V360-P467 HydrophobicContact CB-CB 4.36Å; V360-P467 HydrophobicContact CB-CG 4.01Å; V360-P467 HydrophobicContact CG1-CB 4.32Å; V360-P467 HydrophobicContact CG1-CG 4.31Å; V360-P467 HydrophobicContact CG2-CG 3.83Å; Y361-P467 HydrophobicContact CD2-CB 4.2Å; Y361-P467 HydrophobicContact CE2-CB 3.61Å; P467-D469 PolarHBondContact O-N 3.28Å
468	F	83.4	Confident	84	Confident	27 Å²	27	53.1 Å²	53.1	12%	0.118	28%	0.284	C	S	.	.			trans	-84.7	107.3	171.4	-180	-111.8	0	0	0	110	Y361 S412 Q414 S438 E470	Y361-F468 PolarHBondContact OH-O 2.83Å; S412-F468 PolarHBondContact O-N 3.04Å; Q414-F468 HydrophobicContact CB-CB 4.22Å; Q414-F468 HydrophobicContact CB-CD2 4.26Å; Q414-F468 HydrophobicContact CG-CD2 4.45Å; S438-F468 VanDerWaalsContact OG-CE2 3.3Å; S438-F468 WeakPolarHBondContact OG-CE2 3.49Å; S438-F468 WeakPolarHBondContact OG-CZ 3.1Å; F468-E470 HydrophobicContact CD1-CG 4.33Å; F468-E470 HydrophobicContact CE1-CG 3.53Å; F468-E470 HydrophobicContact CZ-CG 4.14Å
469	D	69.5	Low	83.3	Confident	111 Å²	111	55.8 Å²	55.8	59%	0.594	30%	0.301	S	S	*	.			trans	-89.1	113.2	174.6	-69.5	-36.3	0	0	0	109.4	P467 E471	P467-D469 PolarHBondContact O-N 3.28Å; D469-E471 VanDerWaalsContact C-N 3.34Å; D469-E471 PolarHBondContact O-N 3.2Å; D469-E471 VanDerWaalsContact O-N 3.1Å
470	E	57.1	Low	82.3	Confident	175 Å²	175	60.3 Å²	60.3	82%	0.818	33%	0.325	S	S	*	.			trans	-71.8	91.9	160	-72.6	-174.5	172.5	0	0	107.4	F468	F468-E470 HydrophobicContact CD1-CG 4.33Å; F468-E470 HydrophobicContact CE1-CG 3.53Å; F468-E470 HydrophobicContact CZ-CG 4.14Å
471	E	42	Very low	81.1	Confident	260 Å²	260	65.7 Å²	65.7	100%	1.215	35%	0.354	S	S	*	.			trans	-63.3	0	164	-84.9	-167.9	167	0	0	112	D469	D469-E471 VanDerWaalsContact C-N 3.34Å; D469-E471 PolarHBondContact O-N 3.2Å; D469-E471 VanDerWaalsContact O-N 3.1Å

Retrieved 471 of 471 residues in 655.9 ms (Link to these results)

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