A0A077ZK70_TRITR Loading...

Endothelin-converting enzyme 1

AlphaFold DB , UniProt , Accession A0A077ZK70, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 724 aa.

Structure Viewer

Loading PAE data...

(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	40.5	Very low	41.1	Very low	116 Å²	116	118.6 Å²	118.6	57%	0.571	59%	0.592	S	S	*	*				0	-20.5	0	-109.9	178.5	-95.3	0	0	115.1	R5	M1-R5 HydrophobicContact CG-CG 4.39Å; M1-R5 PolarHBondContact SD-NH1 3.03Å; M1-R5 PolarHBondContact SD-NH2 3.45Å
2	I	40	Very low	42.1	Very low	68 Å²	68	111.5 Å²	111.5	35%	0.349	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.1	-29.1	-171.7	-69.8	174.9	0	0	0	113.9	Y602 P714	I2-Y602 HydrophobicContact CD1-CD1 4.13Å; I2-Y602 HydrophobicContact CD1-CE1 3.65Å; I2-P714 HydrophobicContact CB-CB 4.39Å; I2-P714 HydrophobicContact CG2-CB 3.33Å; I2-P714 WeakPolarHBondContact O-CB 3.47Å; I2-P714 VanDerWaalsContact O-CG 3.23Å; I2-P714 WeakPolarHBondContact O-CG 3.48Å
3	C	41.8	Very low	43.4	Very low	40 Å²	40	104.1 Å²	104.1	27%	0.27	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-24.3	178	-66.1	0	0	0	0	114.7	C13	C3-C13 PolarHBondContact SG-SG 3.41Å
4	D	40.8	Very low	44.4	Very low	143 Å²	143	96.7 Å²	96.7	77%	0.765	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.5	-175	-82.7	-36.6	0	0	0	114.7
5	R	39.9	Very low	45.5	Very low	189 Å²	189	93.4 Å²	93.4	71%	0.713	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-16.2	-171.9	-84.7	-171.1	173.3	177.9	2.4	115.2	M1	M1-R5 HydrophobicContact CG-CG 4.39Å; M1-R5 PolarHBondContact SD-NH1 3.03Å; M1-R5 PolarHBondContact SD-NH2 3.45Å
6	E	34.5	Very low	46.7	Very low	149 Å²	149	93.3 Å²	93.3	70%	0.696	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.4	65.3	-171.1	-65.9	-156.1	157.6	0	0	115	Y8	E6-Y8 VanDerWaalsContact O-CD2 3.25Å; E6-Y8 WeakPolarHBondContact O-CD2 3.47Å; E6-Y8 PolarHBondContact O-N 2.67Å
7	G	34.8	Very low	48.2	Very low	83 Å²	83	90.1 Å²	90.1	86%	0.856	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	19.9	153.6	0	0	0	0	0	117.6	H9	G7-H9 PolarHBondContact O-N 2.82Å
8	Y	38.5	Very low	50.3	Low	92 Å²	92	85.2 Å²	85.2	36%	0.361	42%	0.423	S	S	.	.			trans	-75.4	127.3	-177.1	-102.4	-92.9	0	0	0	108.6	E6 N12 P710 S713	E6-Y8 VanDerWaalsContact O-CD2 3.25Å; E6-Y8 WeakPolarHBondContact O-CD2 3.47Å; E6-Y8 PolarHBondContact O-N 2.67Å; Y8-N12 HydrophobicContact CD1-CB 4.27Å; Y8-P710 WeakPolarHBondContact OH-CD 3.12Å; Y8-P710 WeakPolarHBondContact OH-CG 3.13Å; Y8-S713 WeakPolarHBondContact OH-CB 3.48Å
9	H	44.5	Very low	51.9	Low	158 Å²	158	82.4 Å²	82.4	73%	0.731	42%	0.418	S	S	*	.			trans	-56.5	142.7	177.1	-81.7	-72.2	0	0	0	110.4	G7 T11 N12	G7-H9 PolarHBondContact O-N 2.82Å; H9-T11 PolarHBondContact O-N 2.69Å; H9-N12 PolarHBondContact O-N 3.46Å
10	R	48.6	Very low	53.4	Low	188 Å²	188	83.9 Å²	83.9	71%	0.709	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.8	-11	179	-57.2	-166.5	168.5	-174.2	0.8	116.4	Y16	R10-Y16 HydrophobicContact CB-CD1 3.62Å; R10-Y16 HydrophobicContact CB-CE1 3.36Å; R10-Y16 VanDerWaalsContact CD-CE1 3.49Å; R10-Y16 HydrophobicContact CG-CD1 4.03Å; R10-Y16 HydrophobicContact CG-CE1 3.24Å; R10-Y16 HydrophobicContact CG-CE2 4.45Å; R10-Y16 VanDerWaalsContact CG-CZ 3.49Å; R10-Y16 WeakPolarHBondContact CG-OH 3.42Å; R10-Y16 PolarHBondContact NE-OH 3.49Å; R10-Y16 WeakPolarHBondContact O-CD1 3.44Å
11	T	48.7	Very low	55.1	Low	79 Å²	79	82.5 Å²	82.5	49%	0.485	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-11.2	-170.5	52.8	0	0	0	0	114.8	H9 F707	H9-T11 PolarHBondContact O-N 2.69Å; T11-F707 WeakPolarHBondContact O-CD1 3.15Å; T11-F707 VanDerWaalsContact O-CE1 3.3Å; T11-F707 WeakPolarHBondContact O-CE1 3.3Å
12	N	52.1	Low	57.1	Low	33 Å²	33	80.8 Å²	80.8	18%	0.176	41%	0.405	C	S	.	.	S	Bend	trans	-111.6	14	-166.7	-65.7	7.2	0	0	0	114.9	Y8 H9	Y8-N12 HydrophobicContact CD1-CB 4.27Å; H9-N12 PolarHBondContact O-N 3.46Å
13	C	60	Low	59	Low	15 Å²	15	84.8 Å²	84.8	10%	0.101	42%	0.423	C	S	.	.			trans	-144.6	113.4	179	178	0	0	0	0	108.3	C3 W15 Y16 N694	C3-C13 PolarHBondContact SG-SG 3.41Å; C13-W15 PolarHBondContact O-N 2.89Å; C13-Y16 WeakPolarHBondContact O-CA 3.44Å; C13-Y16 WeakPolarHBondContact O-CB 3.25Å; C13-Y16 PolarHBondContact O-N 3.43Å; C13-N694 PolarHBondContact SG-OD1 3.37Å
14	P	57.2	Low	60.9	Low	1 Å²	1	89 Å²	89	1%	0.006	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-60.5	-32.4	179.1	-33.2	43	0	0	0	112.8	Y16 S17 F661 V693 L697 F703	P14-Y16 PolarHBondContact O-N 3.18Å; P14-Y16 VanDerWaalsContact O-N 3.11Å; P14-S17 WeakPolarHBondContact O-CB 3.41Å; P14-S17 PolarHBondContact O-N 3.43Å; P14-S17 PolarHBondContact O-OG 3.18Å; P14-F661 WeakPolarHBondContact CB-O 3.34Å; P14-F661 HydrophobicContact CG-CB 4.41Å; P14-V693 HydrophobicContact CB-CG1 4.23Å; P14-L697 HydrophobicContact CB-CD1 3.77Å; P14-L697 HydrophobicContact CG-CD1 3.41Å; P14-L697 VanDerWaalsContact CG-CD1 3.41Å; P14-F703 VanDerWaalsContact CD-CZ 3.41Å; P14-F703 HydrophobicContact CG-CD2 4.2Å; P14-F703 HydrophobicContact CG-CE2 3.39Å; P14-F703 HydrophobicContact CG-CZ 4.06Å
15	W	61	Low	62.7	Low	47 Å²	47	84.8 Å²	84.8	18%	0.178	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-58.4	-29.2	170.5	-171	-107.6	0	0	0	113.3	C13 S17 C18 F668 M689 R690 V693	C13-W15 PolarHBondContact O-N 2.89Å; W15-S17 PolarHBondContact O-N 2.84Å; W15-C18 VanDerWaalsContact O-CB 3.32Å; W15-C18 WeakPolarHBondContact O-CB 3.29Å; W15-C18 PolarHBondContact O-N 3.14Å; W15-F668 WeakPolarHBondContact CH2-O 3.46Å; W15-F668 HydrophobicContact CZ3-CB 4.07Å; W15-F668 WeakPolarHBondContact CZ3-O 3.34Å; W15-M689 HydrophobicContact CH2-CB 3.93Å; W15-M689 HydrophobicContact CZ3-CB 4.19Å; W15-R690 HydrophobicContact CD2-CB 4.08Å; W15-R690 HydrophobicContact CD2-CG 4.01Å; W15-R690 HydrophobicContact CE3-CB 4.49Å; W15-R690 HydrophobicContact CG-CG 3.98Å; W15-R690 HydrophobicContact CH2-CB 4.27Å; W15-R690 HydrophobicContact CZ2-CB 3.86Å; W15-R690 HydrophobicContact CZ2-CG 4.44Å; W15-V693 HydrophobicContact CB-CG1 4.35Å; W15-V693 HydrophobicContact CE3-CB 4.18Å; W15-V693 HydrophobicContact CE3-CG2 3.97Å; W15-V693 HydrophobicContact CZ3-CG2 4.28Å
16	Y	63.7	Low	64.3	Low	92 Å²	92	81.5 Å²	81.5	36%	0.361	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-65.2	-22.6	175.4	-163.1	-80.4	0	0	0	112.3	R10 C13 P14 C18 G19	R10-Y16 HydrophobicContact CB-CD1 3.62Å; R10-Y16 HydrophobicContact CB-CE1 3.36Å; R10-Y16 VanDerWaalsContact CD-CE1 3.49Å; R10-Y16 HydrophobicContact CG-CD1 4.03Å; R10-Y16 HydrophobicContact CG-CE1 3.24Å; R10-Y16 HydrophobicContact CG-CE2 4.45Å; R10-Y16 VanDerWaalsContact CG-CZ 3.49Å; R10-Y16 WeakPolarHBondContact CG-OH 3.42Å; R10-Y16 PolarHBondContact NE-OH 3.49Å; R10-Y16 WeakPolarHBondContact O-CD1 3.44Å; C13-Y16 WeakPolarHBondContact O-CA 3.44Å; C13-Y16 WeakPolarHBondContact O-CB 3.25Å; C13-Y16 PolarHBondContact O-N 3.43Å; P14-Y16 PolarHBondContact O-N 3.18Å; P14-Y16 VanDerWaalsContact O-N 3.11Å; Y16-C18 PolarHBondContact O-N 2.96Å; Y16-G19 PolarHBondContact O-N 3.22Å; Y16-G19 VanDerWaalsContact O-N 3.08Å
17	S	73.1	Confident	65.6	Low	39 Å²	39	75.9 Å²	75.9	27%	0.273	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-64.3	-23.8	173	69.7	0	0	0	0	112.2	P14 W15 G19 N666	P14-S17 WeakPolarHBondContact O-CB 3.41Å; P14-S17 PolarHBondContact O-N 3.43Å; P14-S17 PolarHBondContact O-OG 3.18Å; W15-S17 PolarHBondContact O-N 2.84Å; S17-G19 VanDerWaalsContact C-N 3.3Å; S17-G19 PolarHBondContact O-N 3.31Å; S17-N666 WeakPolarHBondContact CB-OD1 3.44Å; S17-N666 PolarHBondContact OG-OD1 3.35Å
18	C	86.2	Confident	66.7	Low	2 Å²	2	76.1 Å²	76.1	1%	0.014	38%	0.384	C	S	.	.	H	α-helix	trans	-77.6	-8.7	174.4	-58.4	0	0	0	0	114	W15 Y16 L20 W21 K22 G665 C669	W15-C18 VanDerWaalsContact O-CB 3.32Å; W15-C18 WeakPolarHBondContact O-CB 3.29Å; W15-C18 PolarHBondContact O-N 3.14Å; Y16-C18 PolarHBondContact O-N 2.96Å; C18-L20 PolarHBondContact O-N 3.28Å; C18-W21 CarbonylContact O-C 3.56Å; C18-W21 WeakPolarHBondContact O-CB 3.21Å; C18-W21 PolarHBondContact O-N 3.05Å; C18-K22 WeakPolarHBondContact O-CB 3.36Å; C18-K22 PolarHBondContact O-N 3.02Å; C18-G665 PolarHBondContact SG-O 3.06Å; C18-C669 WeakPolarHBondContact CA-SG 3.5Å; C18-C669 HydrophobicContact CB-CB 3.77Å; C18-C669 WeakPolarHBondContact CB-SG 3.23Å; C18-C669 WeakPolarHBondContact SG-CA 3.32Å; C18-C669 WeakPolarHBondContact SG-CB 3.27Å; C18-C669 CovalentContact SG-SG 2.04Å; C18-C669 PolarHBondContact SG-SG 2.97Å
19	G	80.3	Confident	67.4	Low	32 Å²	32	77.7 Å²	77.7	33%	0.33	40%	0.398	S	S	.	.	H	α-helix	trans	-59.6	-40.6	-173	0	0	0	0	0	114.2	Y16 S17 Q23	Y16-G19 PolarHBondContact O-N 3.22Å; Y16-G19 VanDerWaalsContact O-N 3.08Å; S17-G19 VanDerWaalsContact C-N 3.3Å; S17-G19 PolarHBondContact O-N 3.31Å; G19-Q23 WeakPolarHBondContact O-CG 2.94Å; G19-Q23 PolarHBondContact O-N 3.17Å
20	L	82	Confident	67.7	Low	112 Å²	112	72.3 Å²	72.3	59%	0.586	39%	0.386	S	S	*	.	H	α-helix	trans	-74.6	-39.1	173.7	-179.9	62.1	0	0	0	111.3	C18 K22 Q23 L24	C18-L20 PolarHBondContact O-N 3.28Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 3.06Å; L20-Q23 PolarHBondContact O-N 2.87Å; L20-L24 HydrophobicContact CD1-CD1 4.08Å; L20-L24 HydrophobicContact CD1-CG 4.12Å; L20-L24 HydrophobicContact CD2-CD1 4.43Å; L20-L24 HydrophobicContact CG-CD1 3.87Å; L20-L24 HydrophobicContact CG-CG 4.32Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.31Å
21	W	88.1	Confident	68	Low	54 Å²	54	65.7 Å²	65.7	21%	0.205	37%	0.368	C	S	.	.	H	α-helix	trans	-58.6	-47.2	177.8	-173.3	103.4	0	0	0	110.8	C18 Q23 L24 N25 S34 N39 C669 A671	C18-W21 CarbonylContact O-C 3.56Å; C18-W21 WeakPolarHBondContact O-CB 3.21Å; C18-W21 PolarHBondContact O-N 3.05Å; W21-Q23 VanDerWaalsContact C-N 3.3Å; W21-Q23 PolarHBondContact O-N 3.21Å; W21-L24 PolarHBondContact O-N 2.71Å; W21-L24 VanDerWaalsContact O-N 3.09Å; W21-N25 HydrophobicContact CD2-CB 4.3Å; W21-N25 VanDerWaalsContact CD2-ND2 3.31Å; W21-N25 VanDerWaalsContact CE2-ND2 3.33Å; W21-N25 HydrophobicContact CE3-CB 4.11Å; W21-N25 HydrophobicContact CH2-CB 3.85Å; W21-N25 HydrophobicContact CZ2-CB 4.14Å; W21-N25 HydrophobicContact CZ3-CB 3.84Å; W21-N25 WeakPolarHBondContact O-CB 3.26Å; W21-N25 PolarHBondContact O-N 3.31Å; W21-N25 PolarHBondContact O-ND2 3.39Å; W21-S34 WeakPolarHBondContact CH2-O 3.11Å; W21-N39 VanDerWaalsContact CZ2-ND2 3.33Å; W21-N39 WeakPolarHBondContact CZ2-ND2 3.41Å; W21-C669 HydrophobicContact CB-CB 4.43Å; W21-C669 HydrophobicContact CD2-CB 3.66Å; W21-C669 HydrophobicContact CE3-CB 3.8Å; W21-C669 HydrophobicContact CG-CB 3.95Å; W21-C669 HydrophobicContact CZ3-CB 4.41Å; W21-A671 HydrophobicContact CZ3-CB 4.13Å
22	K	82.7	Confident	68.6	Low	80 Å²	80	64.1 Å²	64.1	35%	0.348	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-39.2	177.2	-175.9	169.9	-176.4	169.2	0	111.5	C18 L20 L24 M26 A671	C18-K22 WeakPolarHBondContact O-CB 3.36Å; C18-K22 PolarHBondContact O-N 3.02Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 3.06Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-L24 PolarHBondContact O-N 3.31Å; K22-M26 VanDerWaalsContact O-CB 3.32Å; K22-M26 WeakPolarHBondContact O-CB 3.32Å; K22-M26 PolarHBondContact O-N 3.11Å; K22-A671 HydrophobicContact CG-CB 4.02Å
23	Q	79.7	Confident	69.7	Low	153 Å²	153	65.4 Å²	65.4	72%	0.715	36%	0.356	S	S	*	.	H	α-helix	trans	-66.7	-32.3	176.4	-73.6	175.7	6.7	0	0	113.3	G19 L20 W21	G19-Q23 WeakPolarHBondContact O-CG 2.94Å; G19-Q23 PolarHBondContact O-N 3.17Å; L20-Q23 PolarHBondContact O-N 2.87Å; W21-Q23 VanDerWaalsContact C-N 3.3Å; W21-Q23 PolarHBondContact O-N 3.21Å
24	L	82.4	Confident	70.7	Confident	128 Å²	128	65 Å²	65	67%	0.67	35%	0.354	S	S	*	.	H	α-helix	trans	-86.4	-26.8	-177.9	-67.5	175.6	0	0	0	113.1	L20 W21 K22	L20-L24 HydrophobicContact CD1-CD1 4.08Å; L20-L24 HydrophobicContact CD1-CG 4.12Å; L20-L24 HydrophobicContact CD2-CD1 4.43Å; L20-L24 HydrophobicContact CG-CD1 3.87Å; L20-L24 HydrophobicContact CG-CG 4.32Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.31Å; W21-L24 PolarHBondContact O-N 2.71Å; W21-L24 VanDerWaalsContact O-N 3.09Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-L24 PolarHBondContact O-N 3.31Å
25	N	79.4	Confident	72.1	Confident	54 Å²	54	65 Å²	65	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-110.9	10.2	-176.7	-59.2	-80.3	0	0	0	112.9	W21 P27	W21-N25 HydrophobicContact CD2-CB 4.3Å; W21-N25 VanDerWaalsContact CD2-ND2 3.31Å; W21-N25 VanDerWaalsContact CE2-ND2 3.33Å; W21-N25 HydrophobicContact CE3-CB 4.11Å; W21-N25 HydrophobicContact CH2-CB 3.85Å; W21-N25 HydrophobicContact CZ2-CB 4.14Å; W21-N25 HydrophobicContact CZ3-CB 3.84Å; W21-N25 WeakPolarHBondContact O-CB 3.26Å; W21-N25 PolarHBondContact O-N 3.31Å; W21-N25 PolarHBondContact O-ND2 3.39Å; N25-P27 WeakPolarHBondContact O-CD 3.33Å
26	M	73.2	Confident	73.5	Confident	121 Å²	121	63.4 Å²	63.4	60%	0.596	35%	0.349	S	S	*	.			trans	-65.8	122.1	172.7	-169.8	177	-79.5	0	0	108.6	K22	K22-M26 VanDerWaalsContact O-CB 3.32Å; K22-M26 WeakPolarHBondContact O-CB 3.32Å; K22-M26 PolarHBondContact O-N 3.11Å
27	P	62.1	Low	74.6	Confident	31 Å²	31	60.9 Å²	60.9	20%	0.201	34%	0.34	C	S	.	.			trans	-68.2	138.9	-174.6	2	2.1	0	0	0	112.3	N25 N29 R32	N25-P27 WeakPolarHBondContact O-CD 3.33Å; P27-N29 PolarHBondContact O-N 3.15Å; P27-R32 HydrophobicContact CB-CB 3.6Å; P27-R32 HydrophobicContact CG-CB 3.61Å; P27-R32 HydrophobicContact CG-CG 4.47Å; P27-R32 WeakPolarHBondContact CG-O 3.22Å
28	A	56.4	Low	75.2	Confident	88 Å²	88	59.8 Å²	59.8	73%	0.727	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	95.2	171.9	0	0	0	0	0	108.1
29	N	54.9	Low	75.2	Confident	124 Å²	124	62.1 Å²	62.1	66%	0.663	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.2	5.5	165.1	-65.7	-14.6	0	0	0	114.2	P27 S31	P27-N29 PolarHBondContact O-N 3.15Å; N29-S31 PolarHBondContact O-N 3.3Å
30	G	49.9	Very low	75.6	Confident	45 Å²	45	60.8 Å²	60.8	46%	0.464	33%	0.33	S	S	.	.	S	Bend	trans	72.2	15.6	170.2	0	0	0	0	0	114.7	S673	G30-S673 WeakPolarHBondContact O-CB 3.48Å
31	S	54.9	Low	75.8	Confident	49 Å²	49	59 Å²	59	34%	0.343	32%	0.319	S	S	.	.			trans	-125.8	24.9	-172.7	59.7	0	0	0	0	112.9	N29 E321	N29-S31 PolarHBondContact O-N 3.3Å; S31-E321 WeakPolarHBondContact O-CG 3.29Å
32	R	61.4	Low	75.8	Confident	47 Å²	47	57.5 Å²	57.5	18%	0.177	32%	0.315	C	S	.	.			trans	-138.8	131.7	179.7	-169.9	175	-168.9	-157.3	-4.1	111.6	P27 D42 E321	P27-R32 HydrophobicContact CB-CB 3.6Å; P27-R32 HydrophobicContact CG-CB 3.61Å; P27-R32 HydrophobicContact CG-CG 4.47Å; P27-R32 WeakPolarHBondContact CG-O 3.22Å; R32-D42 IonicContact CZ-OD2 2.75Å; R32-D42 IonicContact NH2-OD1 2.66Å; R32-D42 IonicContact NH2-OD2 2.66Å; R32-D42 PolarHBondContact NH2-OD2 3.11Å; R32-E321 WeakPolarHBondContact CA-OE1 3.39Å; R32-E321 WeakPolarHBondContact CB-OE1 3.27Å; R32-E321 VanDerWaalsContact CB-OE2 3.3Å; R32-E321 WeakPolarHBondContact CB-OE2 3.26Å; R32-E321 VanDerWaalsContact CD-OE2 3.25Å; R32-E321 WeakPolarHBondContact CD-OE2 3.4Å; R32-E321 WeakPolarHBondContact CG-OE1 3.37Å; R32-E321 VanDerWaalsContact CG-OE2 3.23Å; R32-E321 WeakPolarHBondContact CG-OE2 3.28Å; R32-E321 IonicContact NE-OE2 3.42Å
33	Y	75.6	Confident	76.2	Confident	59 Å²	59	59.7 Å²	59.7	23%	0.231	32%	0.321	C	S	.	.			trans	-81.4	126.9	162.7	170.6	-104.7	0	0	0	109.1	S35 A670 M672 M689	Y33-S35 WeakPolarHBondContact OH-CB 3.24Å; Y33-S35 PolarHBondContact OH-OG 2.88Å; Y33-A670 HydrophobicContact CE2-CB 4.25Å; Y33-M672 HydrophobicContact CD2-CB 4.01Å; Y33-M672 HydrophobicContact CD2-CE 4.04Å; Y33-M672 HydrophobicContact CE2-CE 3.75Å; Y33-M689 WeakPolarHBondContact OH-CE 3.18Å
34	S	81.2	Confident	76.8	Confident	8 Å²	8	52.6 Å²	52.6	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.2	170.4	178.9	0	0	0	0	109.1	W21 N39 A670 A671	W21-S34 WeakPolarHBondContact CH2-O 3.11Å; S34-N39 PolarHBondContact OG-OD1 3.28Å; S34-A670 CarbonylContact O-C 3.44Å; S34-A670 WeakPolarHBondContact O-CA 3.38Å; S34-A671 PolarHBondContact N-O 3.27Å; S34-A671 PolarHBondContact O-N 2.89Å
35	S	86.7	Confident	77.2	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	173.2	173.7	72.1	0	0	0	0	111.2	Y33 F37 S38 N39 C669	Y33-S35 WeakPolarHBondContact OH-CB 3.24Å; Y33-S35 PolarHBondContact OH-OG 2.88Å; S35-F37 PolarHBondContact O-N 3.01Å; S35-F37 PolarHBondContact OG-N 2.66Å; S35-S38 PolarHBondContact N-OG 3.22Å; S35-S38 PolarHBondContact O-OG 3.11Å; S35-S38 PolarHBondContact OG-N 3.1Å; S35-S38 VanDerWaalsContact OG-N 3.07Å; S35-N39 VanDerWaalsContact O-CB 3.31Å; S35-N39 WeakPolarHBondContact O-CB 3.43Å; S35-N39 PolarHBondContact O-N 3.49Å; S35-N39 PolarHBondContact O-ND2 3.28Å; S35-C669 CarbonylContact C-O 3.52Å; S35-C669 VanDerWaalsContact CA-O 3.27Å; S35-C669 WeakPolarHBondContact CA-O 3.47Å
36	T	89.2	Confident	77.8	Confident	12 Å²	12	46.5 Å²	46.5	7%	0.074	26%	0.256	C	S	.	.	H	α-helix	trans	-56.3	-37.5	168.6	-63.6	0	0	0	0	111.9	L40 P536 N666 L667 C669	T36-L40 WeakPolarHBondContact O-CB 3.3Å; T36-L40 PolarHBondContact O-N 2.93Å; T36-P536 HydrophobicContact CG2-CG 3.46Å; T36-P536 VanDerWaalsContact CG2-CG 3.46Å; T36-N666 PolarHBondContact OG1-O 3.08Å; T36-L667 WeakPolarHBondContact CB-O 3.45Å; T36-L667 PolarHBondContact OG1-O 3.28Å; T36-C669 PolarHBondContact N-O 2.95Å
37	F	87.9	Confident	78.8	Confident	40 Å²	40	42.6 Å²	42.6	18%	0.175	24%	0.237	C	C	.	.	H	α-helix	trans	-70.2	-51.2	179	-63.5	-84.9	0	0	0	111.4	S35 N39 L40 E41 I532 I537 I554 L667 F668	S35-F37 PolarHBondContact O-N 3.01Å; S35-F37 PolarHBondContact OG-N 2.66Å; F37-N39 VanDerWaalsContact C-N 3.28Å; F37-N39 PolarHBondContact O-N 3.34Å; F37-L40 WeakPolarHBondContact O-CA 3Å; F37-L40 WeakPolarHBondContact O-CB 3.41Å; F37-L40 PolarHBondContact O-N 2.9Å; F37-E41 PolarHBondContact O-N 2.94Å; F37-I532 HydrophobicContact CE1-CD1 4.3Å; F37-I537 HydrophobicContact CD1-CD1 4.17Å; F37-I537 HydrophobicContact CE1-CD1 4.05Å; F37-I554 HydrophobicContact CE1-CD1 4.1Å; F37-I554 HydrophobicContact CZ-CD1 4.44Å; F37-L667 HydrophobicContact CE1-CD1 4Å; F37-L667 HydrophobicContact CE2-CD1 4.1Å; F37-L667 HydrophobicContact CE2-CG 4.1Å; F37-L667 HydrophobicContact CZ-CD1 3.54Å; F37-L667 HydrophobicContact CZ-CD2 4.2Å; F37-L667 HydrophobicContact CZ-CG 3.73Å; F37-F668 HydrophobicContact CE2-CD1 4.28Å; F37-F668 HydrophobicContact CE2-CE1 4.34Å
38	S	84.4	Confident	80.4	Confident	15 Å²	15	41.1 Å²	41.1	11%	0.105	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-36.1	-179.8	79.1	0	0	0	0	111.8	S35 L40 E41 D42	S35-S38 PolarHBondContact N-OG 3.22Å; S35-S38 PolarHBondContact O-OG 3.11Å; S35-S38 PolarHBondContact OG-N 3.1Å; S35-S38 VanDerWaalsContact OG-N 3.07Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 3.26Å; S38-E41 WeakPolarHBondContact O-CB 3.35Å; S38-E41 PolarHBondContact O-N 3.28Å; S38-D42 WeakPolarHBondContact O-CB 3.21Å; S38-D42 VanDerWaalsContact O-CG 3.3Å; S38-D42 PolarHBondContact O-N 3.35Å
39	N	86.4	Confident	82.3	Confident	51 Å²	51	38.8 Å²	38.8	27%	0.273	20%	0.201	S	C	.	.	H	α-helix	trans	-69.1	-29.7	175.8	-71.5	-15.5	0	0	0	112.7	W21 S34 S35 F37 R43	W21-N39 VanDerWaalsContact CZ2-ND2 3.33Å; W21-N39 WeakPolarHBondContact CZ2-ND2 3.41Å; S34-N39 PolarHBondContact OG-OD1 3.28Å; S35-N39 VanDerWaalsContact O-CB 3.31Å; S35-N39 WeakPolarHBondContact O-CB 3.43Å; S35-N39 PolarHBondContact O-N 3.49Å; S35-N39 PolarHBondContact O-ND2 3.28Å; F37-N39 VanDerWaalsContact C-N 3.28Å; F37-N39 PolarHBondContact O-N 3.34Å; N39-R43 PolarHBondContact O-N 2.88Å
40	L	89.4	Confident	84.2	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-75.9	-39.4	174.7	176.4	59.3	0	0	0	110.8	T36 F37 S38 R43 N44 T515 Q534 I537	T36-L40 WeakPolarHBondContact O-CB 3.3Å; T36-L40 PolarHBondContact O-N 2.93Å; F37-L40 WeakPolarHBondContact O-CA 3Å; F37-L40 WeakPolarHBondContact O-CB 3.41Å; F37-L40 PolarHBondContact O-N 2.9Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 3.26Å; L40-R43 WeakPolarHBondContact O-CB 3.45Å; L40-R43 PolarHBondContact O-N 3.1Å; L40-N44 VanDerWaalsContact O-CG 3.28Å; L40-N44 PolarHBondContact O-N 3.37Å; L40-N44 PolarHBondContact O-OD1 3.01Å; L40-T515 HydrophobicContact CB-CG2 3.89Å; L40-T515 HydrophobicContact CD2-CG2 3.62Å; L40-T515 HydrophobicContact CG-CG2 3.67Å; L40-Q534 HydrophobicContact CD1-CB 3.95Å; L40-I537 HydrophobicContact CD2-CD1 3.62Å; L40-I537 HydrophobicContact CD2-CG1 4.16Å
41	E	87	Confident	86.4	Confident	76 Å²	76	35.5 Å²	35.5	36%	0.355	17%	0.174	S	C	.	.	H	α-helix	trans	-57.8	-50.1	169.7	-179.9	169.5	-145.7	0	0	112.3	F37 S38 R43 N44 L45 T515	F37-E41 PolarHBondContact O-N 2.94Å; S38-E41 WeakPolarHBondContact O-CB 3.35Å; S38-E41 PolarHBondContact O-N 3.28Å; E41-R43 PolarHBondContact O-N 3.38Å; E41-R43 VanDerWaalsContact O-N 3.16Å; E41-N44 WeakPolarHBondContact O-CA 3.5Å; E41-N44 WeakPolarHBondContact O-CB 3.06Å; E41-N44 PolarHBondContact O-N 2.62Å; E41-L45 HydrophobicContact CG-CD1 4.28Å; E41-L45 WeakPolarHBondContact O-CG 3.49Å; E41-L45 PolarHBondContact O-N 3.01Å; E41-T515 WeakPolarHBondContact CA-OG1 3.5Å
42	D	86.2	Confident	88.4	Confident	22 Å²	22	33.2 Å²	33.2	12%	0.118	16%	0.158	C	C	.	.	H	α-helix	trans	-52.7	-40.6	174	-79.8	-6.4	0	0	0	111.8	R32 S38 N46 T326	R32-D42 IonicContact CZ-OD2 2.75Å; R32-D42 IonicContact NH2-OD1 2.66Å; R32-D42 IonicContact NH2-OD2 2.66Å; R32-D42 PolarHBondContact NH2-OD2 3.11Å; S38-D42 WeakPolarHBondContact O-CB 3.21Å; S38-D42 VanDerWaalsContact O-CG 3.3Å; S38-D42 PolarHBondContact O-N 3.35Å; D42-N46 WeakPolarHBondContact O-CB 3.19Å; D42-N46 PolarHBondContact O-N 3.35Å; D42-N46 PolarHBondContact O-ND2 3Å; D42-T326 HydrophobicContact CB-CG2 3.76Å; D42-T326 WeakPolarHBondContact O-CG2 3.27Å; D42-T326 PolarHBondContact OD1-OG1 3.08Å; D42-T326 PolarHBondContact OD2-OG1 2.9Å
43	R	91.2	Very high	90.1	Very high	125 Å²	125	34.7 Å²	34.7	47%	0.472	17%	0.167	S	C	.	.	H	α-helix	trans	-68.1	-41.2	176.6	-178.1	-178.4	174.7	-167.9	-5.6	111.7	N39 L40 E41 N46 I47 F535	N39-R43 PolarHBondContact O-N 2.88Å; L40-R43 WeakPolarHBondContact O-CB 3.45Å; L40-R43 PolarHBondContact O-N 3.1Å; E41-R43 PolarHBondContact O-N 3.38Å; E41-R43 VanDerWaalsContact O-N 3.16Å; R43-N46 PolarHBondContact O-N 3.39Å; R43-I47 HydrophobicContact CG-CD1 4.35Å; R43-I47 WeakPolarHBondContact O-CG1 3.47Å; R43-I47 PolarHBondContact O-N 2.97Å; R43-F535 PolarHBondContact NH1-O 3.31Å
44	N	92.3	Very high	91	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-45.8	178.5	-70.8	-10.6	0	0	0	111.1	L40 E41 N46 I47 L48 F391 T515 G531 Q534	L40-N44 VanDerWaalsContact O-CG 3.28Å; L40-N44 PolarHBondContact O-N 3.37Å; L40-N44 PolarHBondContact O-OD1 3.01Å; E41-N44 WeakPolarHBondContact O-CA 3.5Å; E41-N44 WeakPolarHBondContact O-CB 3.06Å; E41-N44 PolarHBondContact O-N 2.62Å; N44-N46 VanDerWaalsContact C-N 3.29Å; N44-N46 PolarHBondContact O-N 2.92Å; N44-I47 WeakPolarHBondContact O-CB 3.48Å; N44-I47 PolarHBondContact O-N 3.47Å; N44-I47 VanDerWaalsContact O-N 3.12Å; N44-L48 WeakPolarHBondContact O-CB 3.34Å; N44-L48 WeakPolarHBondContact O-CG 3.07Å; N44-L48 PolarHBondContact O-N 3.02Å; N44-F391 HydrophobicContact CB-CE2 4.03Å; N44-T515 PolarHBondContact ND2-OG1 2.68Å; N44-G531 PolarHBondContact ND2-O 3.43Å; N44-Q534 PolarHBondContact ND2-NE2 3.14Å; N44-Q534 PolarHBondContact OD1-NE2 3.02Å
45	L	90.7	Very high	91.6	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-41.4	173.8	-71.9	176.4	0	0	0	111.8	E41 L48 K49 Y331 L334 E335	E41-L45 HydrophobicContact CG-CD1 4.28Å; E41-L45 WeakPolarHBondContact O-CG 3.49Å; E41-L45 PolarHBondContact O-N 3.01Å; L45-L48 PolarHBondContact O-N 2.77Å; L45-K49 WeakPolarHBondContact O-CB 3.12Å; L45-K49 PolarHBondContact O-N 3.34Å; L45-Y331 HydrophobicContact CB-CD1 3.93Å; L45-Y331 HydrophobicContact CB-CE1 4.21Å; L45-Y331 HydrophobicContact CD1-CD1 4.47Å; L45-L334 HydrophobicContact CD2-CB 4.03Å; L45-L334 HydrophobicContact CD2-CD1 4.44Å; L45-L334 WeakPolarHBondContact O-CD1 3.18Å; L45-E335 HydrophobicContact CD2-CG 4.27Å
46	N	93.2	Very high	92	Very high	51 Å²	51	47.4 Å²	47.4	27%	0.273	23%	0.233	S	C	.	.	H	α-helix	trans	-65	-39.1	174.5	-82.2	-50.2	0	0	0	113.6	D42 R43 N44 L48 N50 T326 Y331	D42-N46 WeakPolarHBondContact O-CB 3.19Å; D42-N46 PolarHBondContact O-N 3.35Å; D42-N46 PolarHBondContact O-ND2 3Å; R43-N46 PolarHBondContact O-N 3.39Å; N44-N46 VanDerWaalsContact C-N 3.29Å; N44-N46 PolarHBondContact O-N 2.92Å; N46-L48 VanDerWaalsContact C-N 3.34Å; N46-N50 PolarHBondContact O-N 2.06Å; N46-N50 PolarHBondContact O-ND2 3.31Å; N46-T326 WeakPolarHBondContact ND2-CG2 3.42Å; N46-Y331 PolarHBondContact OD1-OH 3.24Å
47	I	94.5	Very high	92.2	Very high	38 Å²	38	51 Å²	51	20%	0.195	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-48.3	173.9	-70.4	165.2	0	0	0	109.4	R43 N44 N50 A51 F391	R43-I47 HydrophobicContact CG-CD1 4.35Å; R43-I47 WeakPolarHBondContact O-CG1 3.47Å; R43-I47 PolarHBondContact O-N 2.97Å; N44-I47 WeakPolarHBondContact O-CB 3.48Å; N44-I47 PolarHBondContact O-N 3.47Å; N44-I47 VanDerWaalsContact O-N 3.12Å; I47-N50 PolarHBondContact O-N 3.23Å; I47-A51 WeakPolarHBondContact O-CB 3.1Å; I47-A51 PolarHBondContact O-N 3.35Å; I47-F391 HydrophobicContact CB-CE2 4.37Å; I47-F391 HydrophobicContact CD1-CE2 4.16Å; I47-F391 HydrophobicContact CG2-CD2 4.16Å; I47-F391 HydrophobicContact CG2-CE2 4.2Å
48	L	95	Very high	92.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-46	-179.9	-76.8	172.4	0	0	0	112.5	N44 L45 N46 N50 A51 I52 L334 L387 F391 A513	N44-L48 WeakPolarHBondContact O-CB 3.34Å; N44-L48 WeakPolarHBondContact O-CG 3.07Å; N44-L48 PolarHBondContact O-N 3.02Å; L45-L48 PolarHBondContact O-N 2.77Å; N46-L48 VanDerWaalsContact C-N 3.34Å; L48-N50 PolarHBondContact O-N 2.04Å; L48-A51 PolarHBondContact O-N 3.11Å; L48-I52 WeakPolarHBondContact O-CB 3.38Å; L48-I52 WeakPolarHBondContact O-CG2 3.39Å; L48-I52 PolarHBondContact O-N 3.06Å; L48-L334 HydrophobicContact CB-CD1 4.06Å; L48-L334 HydrophobicContact CB-CD2 4.05Å; L48-L387 HydrophobicContact CD1-CD1 4.3Å; L48-L387 HydrophobicContact CD1-CD2 3.87Å; L48-L387 HydrophobicContact CD1-CG 3.96Å; L48-L387 HydrophobicContact CD2-CD1 3.62Å; L48-L387 HydrophobicContact CD2-CG 3.73Å; L48-L387 HydrophobicContact CG-CD1 4.36Å; L48-L387 HydrophobicContact CG-CG 4.41Å; L48-F391 HydrophobicContact CD2-CB 3.66Å; L48-F391 HydrophobicContact CD2-CD2 4.21Å; L48-F391 HydrophobicContact CD2-CG 4.44Å; L48-F391 HydrophobicContact CG-CB 4.39Å; L48-F391 HydrophobicContact CG-CD2 4.09Å; L48-A513 HydrophobicContact CD1-CB 4.17Å
49	K	95.4	Very high	92.9	Very high	38 Å²	38	62.6 Å²	62.6	17%	0.165	31%	0.307	C	S	.	.	H	α-helix	trans	-56	-49.8	177.7	-174.3	-173.1	173.4	-54.4	0	111.6	L45 I52 E53 P330 Y331 L334	L45-K49 WeakPolarHBondContact O-CB 3.12Å; L45-K49 PolarHBondContact O-N 3.34Å; K49-I52 WeakPolarHBondContact O-CG2 3.43Å; K49-E53 WeakPolarHBondContact CE-OE1 3.35Å; K49-E53 IonicContact NZ-OE1 3.52Å; K49-E53 PolarHBondContact NZ-OE1 2.92Å; K49-E53 IonicContact NZ-OE2 3.01Å; K49-E53 PolarHBondContact NZ-OE2 3.03Å; K49-E53 WeakPolarHBondContact O-CB 3.39Å; K49-E53 VanDerWaalsContact O-CG 3.27Å; K49-E53 WeakPolarHBondContact O-CG 3.42Å; K49-E53 PolarHBondContact O-N 2.82Å; K49-E53 VanDerWaalsContact O-N 3.14Å; K49-P330 HydrophobicContact CD-CB 4.06Å; K49-P330 HydrophobicContact CG-CB 4.32Å; K49-Y331 HydrophobicContact CB-CE1 4.49Å; K49-Y331 HydrophobicContact CD-CE1 4.06Å; K49-Y331 HydrophobicContact CD-CE2 4.19Å; K49-L334 HydrophobicContact CB-CD1 3.79Å
50	N	96	Very high	93.3	Very high	89 Å²	89	69 Å²	69	48%	0.476	34%	0.335	S	S	.	.	H	α-helix	trans	-65.9	-44	178.4	-66.6	-51	0	0	0	110.8	N46 I47 L48 I52 E53 D54	N46-N50 PolarHBondContact O-N 2.06Å; N46-N50 PolarHBondContact O-ND2 3.31Å; I47-N50 PolarHBondContact O-N 3.23Å; L48-N50 PolarHBondContact O-N 2.04Å; N50-I52 PolarHBondContact O-N 3.03Å; N50-E53 PolarHBondContact O-N 3.28Å; N50-D54 WeakPolarHBondContact O-CB 3.35Å; N50-D54 VanDerWaalsContact O-CG 3.31Å; N50-D54 PolarHBondContact O-N 3.07Å
51	A	96.5	Very high	93.5	Very high	12 Å²	12	70.2 Å²	70.2	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-42.9	-179	0	0	0	0	0	112.8	I47 L48 I55 L390 S394	I47-A51 WeakPolarHBondContact O-CB 3.1Å; I47-A51 PolarHBondContact O-N 3.35Å; L48-A51 PolarHBondContact O-N 3.11Å; A51-I55 WeakPolarHBondContact O-CG1 3.29Å; A51-L390 HydrophobicContact CB-CD1 4.05Å; A51-L390 HydrophobicContact CB-CD2 4.01Å; A51-L390 HydrophobicContact CB-CG 3.83Å; A51-S394 WeakPolarHBondContact CB-OG 3.49Å
52	I	96.2	Very high	93.8	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-73.2	-38	-178.3	-162.5	162.2	0	0	0	111.2	L48 K49 N50 D54 I55 L68 K69 Y72 L334 L390	L48-I52 WeakPolarHBondContact O-CB 3.38Å; L48-I52 WeakPolarHBondContact O-CG2 3.39Å; L48-I52 PolarHBondContact O-N 3.06Å; K49-I52 WeakPolarHBondContact O-CG2 3.43Å; N50-I52 PolarHBondContact O-N 3.03Å; I52-D54 VanDerWaalsContact C-N 3.3Å; I52-D54 PolarHBondContact O-N 2.8Å; I52-I55 HydrophobicContact CG1-CD1 4.08Å; I52-I55 WeakPolarHBondContact O-CB 3.41Å; I52-I55 WeakPolarHBondContact O-CG1 3.29Å; I52-I55 PolarHBondContact O-N 3.4Å; I52-L68 HydrophobicContact CD1-CD1 4.1Å; I52-L68 HydrophobicContact CD1-CD2 4.43Å; I52-L68 HydrophobicContact CD1-CG 3.87Å; I52-K69 HydrophobicContact CG1-CD 4.02Å; I52-K69 VanDerWaalsContact O-CD 3.23Å; I52-K69 WeakPolarHBondContact O-CD 3.45Å; I52-K69 WeakPolarHBondContact O-CE 3.17Å; I52-Y72 VanDerWaalsContact CD1-CB 3.47Å; I52-Y72 HydrophobicContact CD1-CD1 4.03Å; I52-Y72 HydrophobicContact CD1-CD2 3.96Å; I52-Y72 HydrophobicContact CD1-CG 3.56Å; I52-Y72 HydrophobicContact CG1-CD1 4.02Å; I52-Y72 HydrophobicContact CG1-CG 4.08Å; I52-Y72 HydrophobicContact CG2-CD1 3.84Å; I52-Y72 HydrophobicContact CG2-CD2 4.21Å; I52-Y72 HydrophobicContact CG2-CE1 3.54Å; I52-Y72 HydrophobicContact CG2-CE2 3.96Å; I52-Y72 HydrophobicContact CG2-CG 4.15Å; I52-L334 HydrophobicContact CG2-CD2 4.22Å; I52-L390 HydrophobicContact CB-CD2 3.78Å; I52-L390 HydrophobicContact CG1-CD2 4.23Å
53	E	96	Very high	94.2	Very high	79 Å²	79	75.1 Å²	75.1	37%	0.369	36%	0.36	S	S	.	.	H	α-helix	trans	-68.1	-29.8	176.9	-73.3	174.2	-174.7	0	0	112.6	K49 N50 I55 Y72	K49-E53 WeakPolarHBondContact CE-OE1 3.35Å; K49-E53 IonicContact NZ-OE1 3.52Å; K49-E53 PolarHBondContact NZ-OE1 2.92Å; K49-E53 IonicContact NZ-OE2 3.01Å; K49-E53 PolarHBondContact NZ-OE2 3.03Å; K49-E53 WeakPolarHBondContact O-CB 3.39Å; K49-E53 VanDerWaalsContact O-CG 3.27Å; K49-E53 WeakPolarHBondContact O-CG 3.42Å; K49-E53 PolarHBondContact O-N 2.82Å; K49-E53 VanDerWaalsContact O-N 3.14Å; N50-E53 PolarHBondContact O-N 3.28Å; E53-I55 VanDerWaalsContact C-N 3.32Å; E53-I55 PolarHBondContact O-N 3.08Å; E53-Y72 HydrophobicContact CG-CE1 3.93Å; E53-Y72 PolarHBondContact OE1-OH 3.04Å
54	D	95.3	Very high	94.3	Very high	131 Å²	131	69.2 Å²	69.2	70%	0.701	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.6	177.7	-75.7	-17.3	0	0	0	113.9	N50 I52 E56	N50-D54 WeakPolarHBondContact O-CB 3.35Å; N50-D54 VanDerWaalsContact O-CG 3.31Å; N50-D54 PolarHBondContact O-N 3.07Å; I52-D54 VanDerWaalsContact C-N 3.3Å; I52-D54 PolarHBondContact O-N 2.8Å; D54-E56 PolarHBondContact O-N 3.35Å; D54-E56 VanDerWaalsContact O-N 3.14Å
55	I	94.5	Very high	94.4	Very high	34 Å²	34	69.9 Å²	69.9	17%	0.174	34%	0.341	C	S	.	.			trans	-65.8	114.9	178.6	-63.5	179.5	0	0	0	110.8	A51 I52 E53 L57 K69 L390	A51-I55 WeakPolarHBondContact O-CG1 3.29Å; I52-I55 HydrophobicContact CG1-CD1 4.08Å; I52-I55 WeakPolarHBondContact O-CB 3.41Å; I52-I55 WeakPolarHBondContact O-CG1 3.29Å; I52-I55 PolarHBondContact O-N 3.4Å; E53-I55 VanDerWaalsContact C-N 3.32Å; E53-I55 PolarHBondContact O-N 3.08Å; I55-L57 HydrophobicContact CG2-CD2 3.51Å; I55-L57 HydrophobicContact CG2-CG 4.22Å; I55-K69 HydrophobicContact CB-CD 4.23Å; I55-L390 HydrophobicContact CD1-CD1 4.03Å; I55-L390 HydrophobicContact CD1-CD2 4.06Å; I55-L390 HydrophobicContact CG1-CD1 4.28Å
56	E	93.9	Very high	94.6	Very high	170 Å²	170	72.2 Å²	72.2	79%	0.794	36%	0.355	S	S	*	.			trans	-94.5	98	169.5	-67.4	-169.8	169.1	0	0	111.4	D54 N58	D54-E56 PolarHBondContact O-N 3.35Å; D54-E56 VanDerWaalsContact O-N 3.14Å; E56-N58 PolarHBondContact O-N 2.88Å; E56-N58 PolarHBondContact O-ND2 2.73Å
57	L	94.3	Very high	94.6	Very high	87 Å²	87	70 Å²	70	46%	0.455	34%	0.343	S	S	.	.			trans	-66	131.1	179.9	-58.2	-179.5	0	0	0	112.2	I55 T61 V66 K69	I55-L57 HydrophobicContact CG2-CD2 3.51Å; I55-L57 HydrophobicContact CG2-CG 4.22Å; L57-T61 HydrophobicContact CD2-CG2 3.96Å; L57-V66 HydrophobicContact CD1-CG1 4.49Å; L57-V66 HydrophobicContact CD2-CG2 4.13Å; L57-K69 HydrophobicContact CD1-CB 4.38Å; L57-K69 HydrophobicContact CD1-CG 4.19Å; L57-K69 HydrophobicContact CD2-CB 4.21Å; L57-K69 HydrophobicContact CD2-CG 4.46Å; L57-K69 HydrophobicContact CG-CG 4.44Å
58	N	95.3	Very high	94.6	Very high	94 Å²	94	68.2 Å²	68.2	50%	0.503	33%	0.334	S	S	.	.			trans	-147.8	178.8	176	64.3	65.7	0	0	0	111.6	E56 E60 T61	E56-N58 PolarHBondContact O-N 2.88Å; E56-N58 PolarHBondContact O-ND2 2.73Å; N58-E60 PolarHBondContact O-N 2.98Å; N58-E60 WeakPolarHBondContact OD1-CA 3.18Å; N58-E60 WeakPolarHBondContact OD1-CB 3.48Å; N58-E60 PolarHBondContact OD1-N 3.02Å; N58-T61 PolarHBondContact N-OG1 2.89Å; N58-T61 WeakPolarHBondContact O-CB 3.37Å; N58-T61 PolarHBondContact O-N 2.75Å; N58-T61 VanDerWaalsContact O-N 3.1Å; N58-T61 PolarHBondContact O-OG1 3.36Å; N58-T61 PolarHBondContact OD1-N 3.47Å; N58-T61 PolarHBondContact OD1-OG1 2.88Å
59	E	92.4	Very high	94.6	Very high	205 Å²	205	69.3 Å²	69.3	96%	0.958	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.5	-176.4	-64.6	-176.3	179.7	0	0	114.5
60	E	93.2	Very high	94.5	Very high	185 Å²	185	69.2 Å²	69.2	86%	0.864	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.2	178	-58.1	-175.8	168.9	0	0	112.8	N58 E62	N58-E60 PolarHBondContact O-N 2.98Å; N58-E60 WeakPolarHBondContact OD1-CA 3.18Å; N58-E60 WeakPolarHBondContact OD1-CB 3.48Å; N58-E60 PolarHBondContact OD1-N 3.02Å; E60-E62 PolarHBondContact O-N 2.88Å
61	T	94.1	Very high	94.3	Very high	30 Å²	30	65 Å²	65	18%	0.184	32%	0.316	C	S	.	.	S	Bend	trans	-68.1	131.5	179.1	-52.4	0	0	0	0	109.9	L57 N58 M65 V66	L57-T61 HydrophobicContact CD2-CG2 3.96Å; N58-T61 PolarHBondContact N-OG1 2.89Å; N58-T61 WeakPolarHBondContact O-CB 3.37Å; N58-T61 PolarHBondContact O-N 2.75Å; N58-T61 VanDerWaalsContact O-N 3.1Å; N58-T61 PolarHBondContact O-OG1 3.36Å; N58-T61 PolarHBondContact OD1-N 3.47Å; N58-T61 PolarHBondContact OD1-OG1 2.88Å; T61-M65 HydrophobicContact CG2-CB 3.88Å; T61-V66 HydrophobicContact CG2-CG2 3.99Å
62	E	93.5	Very high	94.2	Very high	71 Å²	71	64.4 Å²	64.4	33%	0.332	31%	0.311	S	S	.	.			trans	-56.1	141.3	174.7	-68.9	177.3	124.9	0	0	110.6	E60 S64 M65 V66 K389	E60-E62 PolarHBondContact O-N 2.88Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.25Å; E62-M65 HydrophobicContact CB-CB 4.48Å; E62-M65 HydrophobicContact CB-CG 4.17Å; E62-M65 WeakPolarHBondContact O-CB 3.46Å; E62-M65 PolarHBondContact O-N 2.74Å; E62-V66 PolarHBondContact O-N 2.53Å; E62-K389 IonicContact OE1-NZ 2.77Å; E62-K389 PolarHBondContact OE1-NZ 3.49Å; E62-K389 VanDerWaalsContact OE2-CE 3.31Å; E62-K389 WeakPolarHBondContact OE2-CE 3.39Å; E62-K389 IonicContact OE2-NZ 3.86Å; E62-K389 PolarHBondContact OE2-NZ 3.34Å
63	R	94	Very high	94.2	Very high	130 Å²	130	67.5 Å²	67.5	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-68.5	-31.9	-173.3	-64.1	-176.9	-175.7	176.3	10.5	112.1	M65 V66 L67 D456 L463 E464	R63-M65 VanDerWaalsContact C-N 3.3Å; R63-M65 PolarHBondContact O-N 3.43Å; R63-V66 WeakPolarHBondContact O-CB 3.43Å; R63-V66 PolarHBondContact O-N 3.33Å; R63-L67 WeakPolarHBondContact O-CB 3.32Å; R63-L67 PolarHBondContact O-N 2.91Å; R63-D456 WeakPolarHBondContact CB-OD2 3.45Å; R63-D456 PolarHBondContact N-OD1 3.08Å; R63-D456 PolarHBondContact N-OD2 3Å; R63-L463 HydrophobicContact CB-CD1 3.85Å; R63-L463 HydrophobicContact CB-CD2 4.11Å; R63-L463 HydrophobicContact CB-CG 4.49Å; R63-E464 IonicContact CZ-OE1 3.62Å; R63-E464 IonicContact NH1-OE1 2.61Å; R63-E464 PolarHBondContact NH1-OE1 3.37Å; R63-E464 IonicContact NH2-OE1 3.95Å
64	S	93.6	Very high	94	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.007	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-36.2	170.3	50.6	0	0	0	0	112.8	E62 L68 L455 D456	E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.25Å; S64-L68 WeakPolarHBondContact O-CB 3.12Å; S64-L68 PolarHBondContact O-N 3.02Å; S64-L455 WeakPolarHBondContact OG-CD2 3.17Å; S64-D456 WeakPolarHBondContact CB-OD1 3.21Å; S64-D456 PolarHBondContact N-OD1 3.42Å; S64-D456 PolarHBondContact OG-OD1 3.36Å
65	M	94.7	Very high	93.8	Very high	18 Å²	18	59.1 Å²	59.1	9%	0.089	29%	0.285	C	S	.	.	H	α-helix	trans	-73.1	-36.4	173.7	-65.7	-58.7	106.6	0	0	112.2	T61 E62 R63 L67 L68 K69 A386 K389 L455	T61-M65 HydrophobicContact CG2-CB 3.88Å; E62-M65 HydrophobicContact CB-CB 4.48Å; E62-M65 HydrophobicContact CB-CG 4.17Å; E62-M65 WeakPolarHBondContact O-CB 3.46Å; E62-M65 PolarHBondContact O-N 2.74Å; R63-M65 VanDerWaalsContact C-N 3.3Å; R63-M65 PolarHBondContact O-N 3.43Å; M65-L67 VanDerWaalsContact C-N 3.34Å; M65-L68 HydrophobicContact CE-CD2 4.4Å; M65-L68 PolarHBondContact O-N 2.99Å; M65-L68 HydrophobicContact SD-CD2 4.07Å; M65-K69 PolarHBondContact O-N 3.45Å; M65-A386 HydrophobicContact CE-CB 3.49Å; M65-A386 VanDerWaalsContact CE-CB 3.49Å; M65-A386 WeakPolarHBondContact CE-O 3.47Å; M65-K389 HydrophobicContact CE-CB 4.36Å; M65-K389 HydrophobicContact CE-CD 4.16Å; M65-L455 HydrophobicContact CE-CD2 3.68Å
66	V	94.9	Very high	93.7	Very high	52 Å²	52	60 Å²	60	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-46.7	171.9	177.7	0	0	0	0	110.2	L57 T61 E62 R63 K69 Q70	L57-V66 HydrophobicContact CD1-CG1 4.49Å; L57-V66 HydrophobicContact CD2-CG2 4.13Å; T61-V66 HydrophobicContact CG2-CG2 3.99Å; E62-V66 PolarHBondContact O-N 2.53Å; R63-V66 WeakPolarHBondContact O-CB 3.43Å; R63-V66 PolarHBondContact O-N 3.33Å; V66-K69 PolarHBondContact O-N 3.05Å; V66-Q70 WeakPolarHBondContact O-CB 3.14Å; V66-Q70 PolarHBondContact O-N 3.48Å
67	L	93.6	Very high	93.7	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-47.8	176.4	175.1	61.1	0	0	0	111.3	R63 M65 K69 Q70 V71 I383 L462 L463 I474	R63-L67 WeakPolarHBondContact O-CB 3.32Å; R63-L67 PolarHBondContact O-N 2.91Å; M65-L67 VanDerWaalsContact C-N 3.34Å; L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 3.34Å; L67-Q70 WeakPolarHBondContact O-CB 3.48Å; L67-Q70 PolarHBondContact O-N 3.32Å; L67-Q70 VanDerWaalsContact O-N 3.15Å; L67-V71 HydrophobicContact CD1-CG2 3.88Å; L67-V71 HydrophobicContact CG-CG2 4.4Å; L67-V71 WeakPolarHBondContact O-CG2 3.48Å; L67-V71 PolarHBondContact O-N 3.34Å; L67-I383 HydrophobicContact CD2-CG2 4.02Å; L67-I383 HydrophobicContact CG-CD1 4.34Å; L67-L462 HydrophobicContact CD2-CB 3.97Å; L67-L462 HydrophobicContact CD2-CD1 4.02Å; L67-L463 HydrophobicContact CB-CD2 3.91Å; L67-L463 HydrophobicContact CD2-CD2 3.9Å; L67-L463 HydrophobicContact CG-CD2 4.46Å; L67-I474 HydrophobicContact CD1-CB 3.88Å; L67-I474 HydrophobicContact CD1-CD1 3.65Å; L67-I474 HydrophobicContact CD1-CG1 4.36Å; L67-I474 HydrophobicContact CD1-CG2 3.75Å
68	L	94.5	Very high	93.6	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-51.4	-52.6	175.8	176.6	65.2	0	0	0	112.1	I52 S64 M65 Q70 V71 Y72 I337 I383 A386 L387 L390	I52-L68 HydrophobicContact CD1-CD1 4.1Å; I52-L68 HydrophobicContact CD1-CD2 4.43Å; I52-L68 HydrophobicContact CD1-CG 3.87Å; S64-L68 WeakPolarHBondContact O-CB 3.12Å; S64-L68 PolarHBondContact O-N 3.02Å; M65-L68 HydrophobicContact CE-CD2 4.4Å; M65-L68 PolarHBondContact O-N 2.99Å; M65-L68 HydrophobicContact SD-CD2 4.07Å; L68-Q70 VanDerWaalsContact C-N 3.33Å; L68-Q70 PolarHBondContact O-N 3.26Å; L68-V71 PolarHBondContact O-N 3.48Å; L68-Y72 PolarHBondContact O-N 2.61Å; L68-Y72 VanDerWaalsContact O-N 3.13Å; L68-I337 HydrophobicContact CD1-CG2 3.28Å; L68-I383 HydrophobicContact CB-CD1 4.3Å; L68-I383 HydrophobicContact CD1-CD1 3.99Å; L68-I383 HydrophobicContact CD1-CG1 4.02Å; L68-A386 HydrophobicContact CB-CB 4.23Å; L68-A386 HydrophobicContact CD2-CB 4.22Å; L68-L387 HydrophobicContact CD1-CB 4.15Å; L68-L387 HydrophobicContact CD1-CD1 4.09Å; L68-L387 HydrophobicContact CD2-CD1 4.5Å; L68-L390 HydrophobicContact CD2-CB 4.2Å; L68-L390 HydrophobicContact CD2-CD2 3.98Å
69	K	95	Very high	93.6	Very high	24 Å²	24	55.3 Å²	55.3	10%	0.104	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-40.5	179.2	-172.3	62.1	167.2	83.5	0	111.9	I52 I55 L57 M65 V66 L67 Y72 D73	I52-K69 HydrophobicContact CG1-CD 4.02Å; I52-K69 VanDerWaalsContact O-CD 3.23Å; I52-K69 WeakPolarHBondContact O-CD 3.45Å; I52-K69 WeakPolarHBondContact O-CE 3.17Å; I55-K69 HydrophobicContact CB-CD 4.23Å; L57-K69 HydrophobicContact CD1-CB 4.38Å; L57-K69 HydrophobicContact CD1-CG 4.19Å; L57-K69 HydrophobicContact CD2-CB 4.21Å; L57-K69 HydrophobicContact CD2-CG 4.46Å; L57-K69 HydrophobicContact CG-CG 4.44Å; M65-K69 PolarHBondContact O-N 3.45Å; V66-K69 PolarHBondContact O-N 3.05Å; L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 3.34Å; K69-Y72 PolarHBondContact O-N 3.15Å; K69-D73 IonicContact NZ-OD1 2.72Å; K69-D73 PolarHBondContact NZ-OD1 2.69Å; K69-D73 IonicContact NZ-OD2 2.79Å; K69-D73 PolarHBondContact NZ-OD2 3.33Å; K69-D73 WeakPolarHBondContact O-CB 3.32Å; K69-D73 VanDerWaalsContact O-CG 3.25Å; K69-D73 PolarHBondContact O-N 2.65Å
70	Q	93.2	Very high	93.7	Very high	35 Å²	35	47.8 Å²	47.8	16%	0.164	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-46.8	178.7	-179.7	-175.3	-27.9	0	0	112	V66 L67 L68 Y72 D73 I74 Y475	V66-Q70 WeakPolarHBondContact O-CB 3.14Å; V66-Q70 PolarHBondContact O-N 3.48Å; L67-Q70 WeakPolarHBondContact O-CB 3.48Å; L67-Q70 PolarHBondContact O-N 3.32Å; L67-Q70 VanDerWaalsContact O-N 3.15Å; L68-Q70 VanDerWaalsContact C-N 3.33Å; L68-Q70 PolarHBondContact O-N 3.26Å; Q70-Y72 VanDerWaalsContact C-N 3.31Å; Q70-Y72 PolarHBondContact O-N 2.71Å; Q70-D73 PolarHBondContact O-N 2.04Å; Q70-I74 HydrophobicContact CG-CD1 3.69Å; Q70-I74 WeakPolarHBondContact O-CB 3.01Å; Q70-I74 WeakPolarHBondContact O-CG1 3.41Å; Q70-I74 PolarHBondContact O-N 3.29Å; Q70-Y475 PolarHBondContact NE2-O 2.89Å
71	V	92.4	Very high	93.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-42.5	179	175.3	0	0	0	0	110.6	L67 L68 C75 Y336 I337 I383 I483 L487	L67-V71 HydrophobicContact CD1-CG2 3.88Å; L67-V71 HydrophobicContact CG-CG2 4.4Å; L67-V71 WeakPolarHBondContact O-CG2 3.48Å; L67-V71 PolarHBondContact O-N 3.34Å; L68-V71 PolarHBondContact O-N 3.48Å; V71-C75 VanDerWaalsContact O-CB 3.32Å; V71-C75 WeakPolarHBondContact O-CB 3.39Å; V71-C75 PolarHBondContact O-N 2.95Å; V71-Y336 HydrophobicContact CG1-CD1 4.37Å; V71-Y336 HydrophobicContact CG1-CE1 3.73Å; V71-I337 HydrophobicContact CB-CD1 4.41Å; V71-I337 HydrophobicContact CG1-CD1 4.07Å; V71-I337 HydrophobicContact CG1-CG1 3.8Å; V71-I383 HydrophobicContact CB-CD1 3.88Å; V71-I383 HydrophobicContact CG1-CD1 4.3Å; V71-I383 HydrophobicContact CG2-CD1 3.76Å; V71-I483 HydrophobicContact CG1-CG2 4.16Å; V71-I483 HydrophobicContact CG2-CG2 3.81Å; V71-L487 HydrophobicContact CG1-CD1 4.36Å; V71-L487 HydrophobicContact CG2-CD1 4.41Å
72	Y	93.9	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-48.1	177.4	-179.1	-106.7	0	0	0	112	I52 E53 L68 K69 Q70 I74 C75 L76 C333 L334 I337	I52-Y72 VanDerWaalsContact CD1-CB 3.47Å; I52-Y72 HydrophobicContact CD1-CD1 4.03Å; I52-Y72 HydrophobicContact CD1-CD2 3.96Å; I52-Y72 HydrophobicContact CD1-CG 3.56Å; I52-Y72 HydrophobicContact CG1-CD1 4.02Å; I52-Y72 HydrophobicContact CG1-CG 4.08Å; I52-Y72 HydrophobicContact CG2-CD1 3.84Å; I52-Y72 HydrophobicContact CG2-CD2 4.21Å; I52-Y72 HydrophobicContact CG2-CE1 3.54Å; I52-Y72 HydrophobicContact CG2-CE2 3.96Å; I52-Y72 HydrophobicContact CG2-CG 4.15Å; E53-Y72 HydrophobicContact CG-CE1 3.93Å; E53-Y72 PolarHBondContact OE1-OH 3.04Å; L68-Y72 PolarHBondContact O-N 2.61Å; L68-Y72 VanDerWaalsContact O-N 3.13Å; K69-Y72 PolarHBondContact O-N 3.15Å; Q70-Y72 VanDerWaalsContact C-N 3.31Å; Q70-Y72 PolarHBondContact O-N 2.71Å; Y72-I74 VanDerWaalsContact C-N 3.35Å; Y72-I74 PolarHBondContact O-N 3.44Å; Y72-C75 WeakPolarHBondContact O-CB 3.09Å; Y72-C75 PolarHBondContact O-N 2.87Å; Y72-L76 HydrophobicContact CD1-CD1 3.78Å; Y72-L76 HydrophobicContact CD1-CG 4.4Å; Y72-L76 HydrophobicContact CE1-CD1 3.27Å; Y72-L76 HydrophobicContact CE1-CG 4.12Å; Y72-L76 HydrophobicContact CE2-CD1 4.36Å; Y72-L76 HydrophobicContact CE2-CG 4.4Å; Y72-L76 WeakPolarHBondContact O-CG 3.28Å; Y72-L76 PolarHBondContact O-N 2.85Å; Y72-C333 HydrophobicContact CD2-CB 3.91Å; Y72-C333 HydrophobicContact CE2-CB 4.07Å; Y72-L334 HydrophobicContact CD2-CD2 4.26Å; Y72-L334 HydrophobicContact CE2-CD2 4.09Å; Y72-L334 HydrophobicContact CE2-CG 4Å; Y72-I337 HydrophobicContact CD2-CD1 4.06Å; Y72-I337 HydrophobicContact CG-CD1 4.34Å
73	D	95.1	Very high	93.6	Very high	65 Å²	65	46.2 Å²	46.2	35%	0.348	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-38.5	-178.3	-72	-14.4	0	0	0	112.5	K69 Q70 L76 D77	K69-D73 IonicContact NZ-OD1 2.72Å; K69-D73 PolarHBondContact NZ-OD1 2.69Å; K69-D73 IonicContact NZ-OD2 2.79Å; K69-D73 PolarHBondContact NZ-OD2 3.33Å; K69-D73 WeakPolarHBondContact O-CB 3.32Å; K69-D73 VanDerWaalsContact O-CG 3.25Å; K69-D73 PolarHBondContact O-N 2.65Å; Q70-D73 PolarHBondContact O-N 2.04Å; D73-L76 PolarHBondContact O-N 3.1Å; D73-D77 PolarHBondContact O-N 3.14Å; D73-D77 VanDerWaalsContact O-N 3.1Å
74	I	92.2	Very high	93.6	Very high	33 Å²	33	41.9 Å²	41.9	17%	0.169	23%	0.228	C	C	.	.	H	α-helix	trans	-70.9	-35.8	176.9	-70.6	166.7	0	0	0	111.2	Q70 Y72 L76 D77 F480 I483	Q70-I74 HydrophobicContact CG-CD1 3.69Å; Q70-I74 WeakPolarHBondContact O-CB 3.01Å; Q70-I74 WeakPolarHBondContact O-CG1 3.41Å; Q70-I74 PolarHBondContact O-N 3.29Å; Y72-I74 VanDerWaalsContact C-N 3.35Å; Y72-I74 PolarHBondContact O-N 3.44Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-D77 PolarHBondContact O-N 3.35Å; I74-F480 HydrophobicContact CG2-CB 3.85Å; I74-F480 HydrophobicContact CG2-CD2 4.38Å; I74-I483 HydrophobicContact CB-CD1 4.3Å; I74-I483 HydrophobicContact CD1-CD1 3.31Å; I74-I483 HydrophobicContact CG1-CD1 4.39Å; I74-I483 HydrophobicContact CG2-CD1 4.13Å
75	C	90.9	Very high	93.5	Very high	1 Å²	1	43 Å²	43	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-39.5	173.3	179.7	0	0	0	0	111.3	V71 Y72 R329 C333 F480	V71-C75 VanDerWaalsContact O-CB 3.32Å; V71-C75 WeakPolarHBondContact O-CB 3.39Å; V71-C75 PolarHBondContact O-N 2.95Å; Y72-C75 WeakPolarHBondContact O-CB 3.09Å; Y72-C75 PolarHBondContact O-N 2.87Å; C75-R329 VanDerWaalsContact O-CZ 3.23Å; C75-R329 PolarHBondContact O-NE 3.09Å; C75-R329 PolarHBondContact O-NH2 2.77Å; C75-R329 VanDerWaalsContact SG-CZ 3.58Å; C75-R329 PolarHBondContact SG-NH2 2.89Å; C75-R329 VanDerWaalsContact SG-NH2 3.38Å; C75-C333 HydrophobicContact CB-CB 3.73Å; C75-C333 WeakPolarHBondContact CB-SG 3.22Å; C75-C333 WeakPolarHBondContact SG-CA 3.37Å; C75-C333 WeakPolarHBondContact SG-CB 3.2Å; C75-C333 CovalentContact SG-SG 2.02Å; C75-C333 PolarHBondContact SG-SG 2.78Å; C75-F480 HydrophobicContact CB-CD2 3.94Å; C75-F480 HydrophobicContact CB-CE2 3.5Å; C75-F480 HydrophobicContact CB-CZ 4.03Å
76	L	92.8	Very high	93.5	Very high	52 Å²	52	44.1 Å²	44.1	27%	0.272	24%	0.244	S	C	.	.	H	α-helix	trans	-68.2	-29.6	177.3	-77.5	-178.1	0	0	0	114.3	Y72 D73 I74 E78 R329 P330	Y72-L76 HydrophobicContact CD1-CD1 3.78Å; Y72-L76 HydrophobicContact CD1-CG 4.4Å; Y72-L76 HydrophobicContact CE1-CD1 3.27Å; Y72-L76 HydrophobicContact CE1-CG 4.12Å; Y72-L76 HydrophobicContact CE2-CD1 4.36Å; Y72-L76 HydrophobicContact CE2-CG 4.4Å; Y72-L76 WeakPolarHBondContact O-CG 3.28Å; Y72-L76 PolarHBondContact O-N 2.85Å; D73-L76 PolarHBondContact O-N 3.1Å; I74-L76 VanDerWaalsContact C-N 3.31Å; L76-E78 VanDerWaalsContact C-N 3.29Å; L76-E78 PolarHBondContact O-N 3.02Å; L76-R329 HydrophobicContact CD2-CG 4.2Å; L76-P330 HydrophobicContact CD2-CB 4.14Å; L76-P330 HydrophobicContact CD2-CG 3.87Å
77	D	94.3	Very high	93.5	Very high	80 Å²	80	47.9 Å²	47.9	43%	0.428	26%	0.258	S	S	.	.			trans	-78.6	73.4	-175.8	-165.4	-13.3	0	0	0	112.3	D73 I74 D79 A80 V81	D73-D77 PolarHBondContact O-N 3.14Å; D73-D77 VanDerWaalsContact O-N 3.1Å; I74-D77 PolarHBondContact O-N 3.35Å; D77-D79 PolarHBondContact O-N 2.78Å; D77-A80 HydrophobicContact CB-CB 4.13Å; D77-A80 VanDerWaalsContact CG-CB 3.42Å; D77-A80 PolarHBondContact O-N 3.21Å; D77-A80 WeakPolarHBondContact OD1-CB 3.36Å; D77-A80 PolarHBondContact OD1-N 3.06Å; D77-V81 WeakPolarHBondContact O-CG2 3.25Å; D77-V81 PolarHBondContact O-N 3.39Å
78	E	91.6	Very high	93.6	Very high	52 Å²	52	49.2 Å²	49.2	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-33.5	178.4	-63.6	-173.6	82	0	0	112.9	L76 A80 V81 D82 R310 R329	L76-E78 VanDerWaalsContact C-N 3.29Å; L76-E78 PolarHBondContact O-N 3.02Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 3.46Å; E78-V81 PolarHBondContact O-N 3.47Å; E78-D82 WeakPolarHBondContact O-CB 3.34Å; E78-D82 VanDerWaalsContact O-CG 3.3Å; E78-D82 PolarHBondContact O-N 3.28Å; E78-R310 IonicContact OE1-CZ 3.26Å; E78-R310 IonicContact OE1-NH1 3.06Å; E78-R310 IonicContact OE1-NH2 3.87Å; E78-R310 PolarHBondContact OE1-NH2 2.82Å; E78-R329 HydrophobicContact CG-CG 4.25Å
79	D	95	Very high	93.6	Very high	122 Å²	122	49.2 Å²	49.2	65%	0.652	27%	0.267	S	S	*	.	H	α-helix	trans	-64.1	-41.3	179.1	-75.5	-21	0	0	0	110.7	D77 D82 E83	D77-D79 PolarHBondContact O-N 2.78Å; D79-D82 PolarHBondContact O-N 3.13Å; D79-E83 WeakPolarHBondContact O-CB 3.43Å; D79-E83 PolarHBondContact O-N 2.95Å
80	A	94.3	Very high	93.7	Very high	47 Å²	47	49.4 Å²	49.4	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-37.7	175.3	0	0	0	0	0	112.6	D77 E78 A84	D77-A80 HydrophobicContact CB-CB 4.13Å; D77-A80 VanDerWaalsContact CG-CB 3.42Å; D77-A80 PolarHBondContact O-N 3.21Å; D77-A80 WeakPolarHBondContact OD1-CB 3.36Å; D77-A80 PolarHBondContact OD1-N 3.06Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 3.46Å; A80-A84 PolarHBondContact O-N 3.35Å; A80-A84 VanDerWaalsContact O-N 3.12Å
81	V	91.7	Very high	93.8	Very high	13 Å²	13	54.4 Å²	54.4	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-42.3	176	-179.4	0	0	0	0	110.7	D77 E78 A84 G85 L305 F480	D77-V81 WeakPolarHBondContact O-CG2 3.25Å; D77-V81 PolarHBondContact O-N 3.39Å; E78-V81 PolarHBondContact O-N 3.47Å; V81-A84 PolarHBondContact O-N 3.04Å; V81-G85 PolarHBondContact O-N 3.39Å; V81-L305 VanDerWaalsContact CG1-C 3.41Å; V81-L305 WeakPolarHBondContact CG1-O 3.25Å; V81-F480 HydrophobicContact CG2-CB 3.89Å
82	D	94	Very high	93.8	Very high	59 Å²	59	54.6 Å²	54.6	32%	0.316	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.8	-77.1	-12.6	0	0	0	111.7	E78 D79 A84 G85 G306 R307	E78-D82 WeakPolarHBondContact O-CB 3.34Å; E78-D82 VanDerWaalsContact O-CG 3.3Å; E78-D82 PolarHBondContact O-N 3.28Å; D79-D82 PolarHBondContact O-N 3.13Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 3.39Å; D82-G85 PolarHBondContact O-N 3.38Å; D82-G306 WeakPolarHBondContact OD1-CA 3.5Å; D82-R307 PolarHBondContact OD1-N 3.46Å
83	E	94.9	Very high	93.9	Very high	180 Å²	180	54.6 Å²	54.6	84%	0.841	29%	0.291	S	S	*	.	H	α-helix	trans	-64.5	-34.7	177.4	-174	173.5	-169.7	0	0	112.3	D79 G85	D79-E83 WeakPolarHBondContact O-CB 3.43Å; D79-E83 PolarHBondContact O-N 2.95Å; E83-G85 VanDerWaalsContact C-N 3.27Å; E83-G85 PolarHBondContact O-N 3.02Å
84	A	93.6	Very high	93.9	Very high	40 Å²	40	54.9 Å²	54.9	33%	0.331	29%	0.293	S	S	.	.	H	α-helix	trans	-67.1	-28.7	177	0	0	0	0	0	112.8	A80 V81 D82 Q87 P88	A80-A84 PolarHBondContact O-N 3.35Å; A80-A84 VanDerWaalsContact O-N 3.12Å; V81-A84 PolarHBondContact O-N 3.04Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 3.39Å; A84-Q87 PolarHBondContact O-N 3.43Å; A84-P88 HydrophobicContact CB-CG 3.89Å
85	G	91.8	Very high	93.8	Very high	23 Å²	23	59 Å²	59	24%	0.237	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	-137.3	-180	0	0	0	0	0	112.6	V81 D82 E83 Q87 P88	V81-G85 PolarHBondContact O-N 3.39Å; D82-G85 PolarHBondContact O-N 3.38Å; E83-G85 VanDerWaalsContact C-N 3.27Å; E83-G85 PolarHBondContact O-N 3.02Å; G85-Q87 VanDerWaalsContact C-N 3.32Å; G85-Q87 PolarHBondContact O-N 3.41Å; G85-P88 WeakPolarHBondContact O-CD 3.44Å
86	Q	93.5	Very high	93.7	Very high	43 Å²	43	59.3 Å²	59.3	20%	0.201	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11	-178.3	-64.2	177.9	-23.6	0	0	114.6	P88 L89 I90 L193 W194 Y309	Q86-P88 VanDerWaalsContact C-CD 3.47Å; Q86-L89 PolarHBondContact O-N 2.86Å; Q86-L89 VanDerWaalsContact O-N 3.14Å; Q86-I90 HydrophobicContact CB-CD1 4.07Å; Q86-I90 HydrophobicContact CB-CG1 4.39Å; Q86-I90 WeakPolarHBondContact O-CG1 3.45Å; Q86-I90 PolarHBondContact O-N 2.99Å; Q86-L193 PolarHBondContact NE2-O 3.12Å; Q86-W194 HydrophobicContact CB-CH2 4.44Å; Q86-W194 HydrophobicContact CB-CZ3 3.88Å; Q86-W194 HydrophobicContact CG-CE3 4.22Å; Q86-W194 HydrophobicContact CG-CZ3 3.96Å; Q86-W194 PolarHBondContact NE2-O 3.18Å; Q86-Y309 VanDerWaalsContact CD-OH 3.24Å; Q86-Y309 HydrophobicContact CG-CE1 3.97Å; Q86-Y309 HydrophobicContact CG-CE2 4.28Å; Q86-Y309 WeakPolarHBondContact CG-OH 3.49Å; Q86-Y309 PolarHBondContact NE2-OH 3.03Å
87	Q	95.1	Very high	93.8	Very high	130 Å²	130	56.9 Å²	56.9	61%	0.607	30%	0.299	S	S	*	.	H	α-helix	trans	-58.6	-39.4	-169.6	-64.5	-60.6	-53.3	0	0	114	A84 G85 I90 K91	A84-Q87 PolarHBondContact O-N 3.43Å; G85-Q87 VanDerWaalsContact C-N 3.32Å; G85-Q87 PolarHBondContact O-N 3.41Å; Q87-I90 PolarHBondContact O-N 3.14Å; Q87-K91 PolarHBondContact O-N 3.47Å; Q87-K91 VanDerWaalsContact O-N 3.08Å
88	P	95.1	Very high	93.8	Very high	34 Å²	34	54.6 Å²	54.6	22%	0.221	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-46.5	175.2	-25	36.2	0	0	0	112.6	A84 G85 Q86 K91 L92 L481	A84-P88 HydrophobicContact CB-CG 3.89Å; G85-P88 WeakPolarHBondContact O-CD 3.44Å; Q86-P88 VanDerWaalsContact C-CD 3.47Å; P88-K91 PolarHBondContact O-N 2.87Å; P88-L92 PolarHBondContact O-N 2.75Å; P88-L481 HydrophobicContact CB-CB 3.99Å; P88-L481 HydrophobicContact CB-CD1 4.42Å; P88-L481 HydrophobicContact CB-CD2 3.82Å; P88-L481 HydrophobicContact CB-CG 4.31Å
89	L	95.4	Very high	94	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.2	-36.5	179.8	-174.8	54.8	0	0	0	112.1	Q86 K91 L92 M93 W194 V297 L298 Q301 F302 L305 L481	Q86-L89 PolarHBondContact O-N 2.86Å; Q86-L89 VanDerWaalsContact O-N 3.14Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.19Å; L89-L92 HydrophobicContact CD1-CB 4.36Å; L89-L92 HydrophobicContact CD1-CD2 4.13Å; L89-L92 WeakPolarHBondContact O-CB 3.32Å; L89-L92 PolarHBondContact O-N 3.43Å; L89-M93 HydrophobicContact CD1-CG 4Å; L89-M93 HydrophobicContact CD1-SD 4.45Å; L89-M93 HydrophobicContact CG-CG 4.22Å; L89-M93 HydrophobicContact CG-SD 4.14Å; L89-M93 WeakPolarHBondContact O-CB 3.44Å; L89-M93 WeakPolarHBondContact O-CG 3.32Å; L89-M93 PolarHBondContact O-N 2.87Å; L89-W194 HydrophobicContact CB-CH2 3.96Å; L89-W194 HydrophobicContact CB-CZ3 3.99Å; L89-W194 HydrophobicContact CD2-CE3 4.22Å; L89-W194 HydrophobicContact CD2-CH2 3.99Å; L89-W194 HydrophobicContact CD2-CZ3 3.63Å; L89-W194 HydrophobicContact CG-CH2 3.76Å; L89-W194 HydrophobicContact CG-CZ3 3.88Å; L89-V297 HydrophobicContact CD1-CG1 3.92Å; L89-L298 HydrophobicContact CD2-CD2 3.95Å; L89-Q301 HydrophobicContact CD1-CB 3.73Å; L89-Q301 HydrophobicContact CD1-CG 4.06Å; L89-Q301 HydrophobicContact CD2-CB 4.22Å; L89-F302 HydrophobicContact CD2-CD1 4.31Å; L89-F302 HydrophobicContact CD2-CE1 4.33Å; L89-L305 HydrophobicContact CB-CD1 4.14Å; L89-L305 HydrophobicContact CB-CD2 4.09Å; L89-L305 HydrophobicContact CD2-CD1 3.74Å; L89-L481 HydrophobicContact CB-CD1 4.12Å; L89-L481 HydrophobicContact CD1-CD1 4.43Å
90	I	96.8	Very high	94.1	Very high	28 Å²	28	50.7 Å²	50.7	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-56.1	-48.8	172.9	-72.5	170	0	0	0	110.5	Q86 Q87 L92 M93 D94 H100 W194	Q86-I90 HydrophobicContact CB-CD1 4.07Å; Q86-I90 HydrophobicContact CB-CG1 4.39Å; Q86-I90 WeakPolarHBondContact O-CG1 3.45Å; Q86-I90 PolarHBondContact O-N 2.99Å; Q87-I90 PolarHBondContact O-N 3.14Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.3Å; I90-M93 PolarHBondContact O-N 3.45Å; I90-D94 WeakPolarHBondContact O-CB 3.49Å; I90-D94 PolarHBondContact O-N 3.01Å; I90-H100 HydrophobicContact CB-CB 4.35Å; I90-H100 HydrophobicContact CG1-CB 4.29Å; I90-H100 HydrophobicContact CG2-CB 4.08Å; I90-W194 HydrophobicContact CG1-CH2 3.67Å; I90-W194 HydrophobicContact CG1-CZ2 4.09Å
91	K	94.7	Very high	94.2	Very high	140 Å²	140	50.1 Å²	50.1	61%	0.609	26%	0.261	S	S	*	.	H	α-helix	trans	-63.4	-39	179.3	-174.3	-173.5	174	-160.6	0	111.7	Q87 P88 L89 K95	Q87-K91 PolarHBondContact O-N 3.47Å; Q87-K91 VanDerWaalsContact O-N 3.08Å; P88-K91 PolarHBondContact O-N 2.87Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.19Å; K91-K95 WeakPolarHBondContact O-CB 3.33Å; K91-K95 PolarHBondContact O-N 3.33Å; K91-K95 VanDerWaalsContact O-N 3.14Å
92	L	92.6	Very high	94.5	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-52.3	176.3	-175.4	153.4	0	0	0	111.1	P88 L89 I90 D94 K95 T96 H130 V297 L481 R485	P88-L92 PolarHBondContact O-N 2.75Å; L89-L92 HydrophobicContact CD1-CB 4.36Å; L89-L92 HydrophobicContact CD1-CD2 4.13Å; L89-L92 WeakPolarHBondContact O-CB 3.32Å; L89-L92 PolarHBondContact O-N 3.43Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.3Å; L92-D94 PolarHBondContact O-N 3.23Å; L92-K95 PolarHBondContact O-N 2.9Å; L92-K95 VanDerWaalsContact O-N 3.16Å; L92-T96 PolarHBondContact O-N 3.39Å; L92-H130 VanDerWaalsContact CG-CE1 3.42Å; L92-H130 WeakPolarHBondContact CG-CE1 3.33Å; L92-V297 HydrophobicContact CD2-CG1 3.99Å; L92-L481 HydrophobicContact CB-CD2 4.3Å; L92-L481 HydrophobicContact CD1-CD2 3.7Å; L92-R485 HydrophobicContact CD1-CB 4.4Å; L92-R485 HydrophobicContact CD1-CG 4.12Å
93	M	95.7	Very high	94.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-42.3	-179.5	-67.5	-178.6	77.3	0	0	111.8	L89 I90 K95 T96 L97 G98 H99 H100 W194 A294 V297 L298	L89-M93 HydrophobicContact CD1-CG 4Å; L89-M93 HydrophobicContact CD1-SD 4.45Å; L89-M93 HydrophobicContact CG-CG 4.22Å; L89-M93 HydrophobicContact CG-SD 4.14Å; L89-M93 WeakPolarHBondContact O-CB 3.44Å; L89-M93 WeakPolarHBondContact O-CG 3.32Å; L89-M93 PolarHBondContact O-N 2.87Å; I90-M93 PolarHBondContact O-N 3.45Å; M93-K95 VanDerWaalsContact C-N 3.28Å; M93-K95 PolarHBondContact O-N 3.14Å; M93-T96 PolarHBondContact O-N 3.47Å; M93-L97 HydrophobicContact CE-CD1 3.95Å; M93-L97 WeakPolarHBondContact O-CA 3.45Å; M93-L97 WeakPolarHBondContact O-CB 3.35Å; M93-L97 PolarHBondContact O-N 3.06Å; M93-G98 PolarHBondContact O-N 3Å; M93-H99 CarbonylContact C-O 3.6Å; M93-H99 VanDerWaalsContact CB-O 3.27Å; M93-H99 WeakPolarHBondContact CB-O 3.37Å; M93-H100 HydrophobicContact CB-CB 4.14Å; M93-W194 HydrophobicContact SD-CH2 3.93Å; M93-W194 HydrophobicContact SD-CZ2 3.39Å; M93-W194 WeakPolarHBondContact SD-CZ2 3.3Å; M93-A294 HydrophobicContact CE-CB 4.01Å; M93-V297 HydrophobicContact CG-CG1 3.84Å; M93-L298 HydrophobicContact CE-CD2 4.18Å; M93-L298 HydrophobicContact SD-CD2 3.83Å
94	D	95.2	Very high	94.9	Very high	71 Å²	71	38.3 Å²	38.3	38%	0.38	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-38.2	175.2	-80.3	-19.8	0	0	0	112.1	I90 L92 G98 H99 H100	I90-D94 WeakPolarHBondContact O-CB 3.49Å; I90-D94 PolarHBondContact O-N 3.01Å; L92-D94 PolarHBondContact O-N 3.23Å; D94-G98 VanDerWaalsContact O-CA 3.28Å; D94-G98 WeakPolarHBondContact O-CA 3.49Å; D94-G98 PolarHBondContact O-N 2.8Å; D94-H99 WeakPolarHBondContact OD1-CA 3.13Å; D94-H100 VanDerWaalsContact CG-ND1 3.3Å; D94-H100 IonicContact OD1-CE1 3.23Å; D94-H100 IonicContact OD1-CG 2.87Å; D94-H100 PolarHBondContact OD1-N 3.44Å; D94-H100 IonicContact OD1-ND1 3.03Å; D94-H100 PolarHBondContact OD1-ND1 2.94Å; D94-H100 IonicContact OD2-CE1 3.97Å; D94-H100 IonicContact OD2-ND1 3.35Å; D94-H100 PolarHBondContact OD2-ND1 3.24Å
95	K	90.4	Very high	95.1	Very high	120 Å²	120	37.7 Å²	37.7	52%	0.522	20%	0.195	S	C	.	.	H	α-helix	trans	-69.3	-41.7	178.2	-176.9	-175.5	172	-164.2	0	112.1	K91 L92 M93	K91-K95 WeakPolarHBondContact O-CB 3.33Å; K91-K95 PolarHBondContact O-N 3.33Å; K91-K95 VanDerWaalsContact O-N 3.14Å; L92-K95 PolarHBondContact O-N 2.9Å; L92-K95 VanDerWaalsContact O-N 3.16Å; M93-K95 VanDerWaalsContact C-N 3.28Å; M93-K95 PolarHBondContact O-N 3.14Å
96	T	89.6	Confident	95.4	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-98.4	-41.4	-168.8	-63.2	0	0	0	0	113.3	L92 M93 R122 L126 H130	L92-T96 PolarHBondContact O-N 3.39Å; M93-T96 PolarHBondContact O-N 3.47Å; T96-R122 PolarHBondContact O-NH1 3.31Å; T96-L126 HydrophobicContact CG2-CD2 3.63Å; T96-L126 HydrophobicContact CG2-CG 3.94Å; T96-H130 PolarHBondContact OG1-NE2 3.03Å
97	L	94.7	Very high	95.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-15.2	-179.5	-55	-177.2	0	0	0	112.9	M93 H99 P113 R122 L126 L293 A294 V297	M93-L97 HydrophobicContact CE-CD1 3.95Å; M93-L97 WeakPolarHBondContact O-CA 3.45Å; M93-L97 WeakPolarHBondContact O-CB 3.35Å; M93-L97 PolarHBondContact O-N 3.06Å; L97-H99 PolarHBondContact O-CD2 3.46Å; L97-H99 VanDerWaalsContact O-CD2 3.22Å; L97-H99 PolarHBondContact O-N 2.91Å; L97-P113 VanDerWaalsContact O-CG 3.27Å; L97-P113 WeakPolarHBondContact O-CG 3.5Å; L97-R122 VanDerWaalsContact O-CZ 3.31Å; L97-R122 PolarHBondContact O-NH1 2.84Å; L97-L126 HydrophobicContact CD2-CD1 4.16Å; L97-L126 HydrophobicContact CD2-CD2 4.19Å; L97-L126 HydrophobicContact CD2-CG 4.45Å; L97-L293 HydrophobicContact CD2-CB 4.09Å; L97-A294 HydrophobicContact CD1-CB 4.01Å; L97-V297 HydrophobicContact CD1-CG2 4.18Å
98	G	95	Very high	95.8	Very high	32 Å²	32	32.7 Å²	32.7	33%	0.33	17%	0.168	S	C	.	.	S	Bend	trans	78.7	7.2	-177	0	0	0	0	0	113.7	M93 D94	M93-G98 PolarHBondContact O-N 3Å; D94-G98 VanDerWaalsContact O-CA 3.28Å; D94-G98 WeakPolarHBondContact O-CA 3.49Å; D94-G98 PolarHBondContact O-N 2.8Å
99	H	95.6	Very high	95.9	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.037	18%	0.184	C	C	.	.			trans	-159.9	165.9	174.8	63.7	86.8	0	0	0	110.1	M93 D94 L97 M101 L106	M93-H99 CarbonylContact C-O 3.6Å; M93-H99 VanDerWaalsContact CB-O 3.27Å; M93-H99 WeakPolarHBondContact CB-O 3.37Å; D94-H99 WeakPolarHBondContact OD1-CA 3.13Å; L97-H99 PolarHBondContact O-CD2 3.46Å; L97-H99 VanDerWaalsContact O-CD2 3.22Å; L97-H99 PolarHBondContact O-N 2.91Å; H99-M101 HydrophobicContact CB-CG 4.47Å; H99-M101 PolarHBondContact ND1-N 2.63Å; H99-L106 WeakPolarHBondContact CE1-CD1 3.42Å
100	H	96.6	Very high	96	Very high	83 Å²	83	45.9 Å²	45.9	38%	0.384	22%	0.218	S	C	.	.			trans	-121.3	16.5	170	57.2	-93	0	0	0	112.6	I90 M93 D94 W194	I90-H100 HydrophobicContact CB-CB 4.35Å; I90-H100 HydrophobicContact CG1-CB 4.29Å; I90-H100 HydrophobicContact CG2-CB 4.08Å; M93-H100 HydrophobicContact CB-CB 4.14Å; D94-H100 VanDerWaalsContact CG-ND1 3.3Å; D94-H100 IonicContact OD1-CE1 3.23Å; D94-H100 IonicContact OD1-CG 2.87Å; D94-H100 PolarHBondContact OD1-N 3.44Å; D94-H100 IonicContact OD1-ND1 3.03Å; D94-H100 PolarHBondContact OD1-ND1 2.94Å; D94-H100 IonicContact OD2-CE1 3.97Å; D94-H100 IonicContact OD2-ND1 3.35Å; D94-H100 PolarHBondContact OD2-ND1 3.24Å; H100-W194 HydrophobicContact CB-CZ2 4.25Å; H100-W194 PolarHBondContact O-NE1 2.96Å; H100-W194 VanDerWaalsContact O-NE1 3.12Å
101	M	97.5	Very high	96	Very high	36 Å²	36	47.4 Å²	47.4	18%	0.177	23%	0.225	C	C	.	.			trans	-59.3	146.4	177	-67.5	179	66	0	0	111.6	H99 D105 L106 Q109 H111	H99-M101 HydrophobicContact CB-CG 4.47Å; H99-M101 PolarHBondContact ND1-N 2.63Å; M101-D105 HydrophobicContact CE-CB 3.75Å; M101-L106 HydrophobicContact CB-CD2 3.97Å; M101-L106 HydrophobicContact CB-CG 3.94Å; M101-L106 HydrophobicContact SD-CD2 4.16Å; M101-Q109 HydrophobicContact CE-CB 4.34Å; M101-Q109 HydrophobicContact CE-CG 4.37Å; M101-H111 HydrophobicContact CE-CB 3.98Å; M101-H111 HydrophobicContact SD-CB 3.96Å; M101-H111 VanDerWaalsContact SD-CD2 3.56Å; M101-H111 VanDerWaalsContact SD-CG 3.58Å
102	S	97.5	Very high	96.1	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.021	21%	0.212	C	C	.	.			trans	-63.1	148.4	171.2	70.9	0	0	0	0	111	M104 D105 L106	S102-M104 PolarHBondContact O-N 2.91Å; S102-D105 PolarHBondContact O-N 3.4Å; S102-D105 WeakPolarHBondContact OG-CB 3.48Å; S102-D105 PolarHBondContact OG-N 3.08Å; S102-D105 VanDerWaalsContact OG-N 3.11Å; S102-D105 PolarHBondContact OG-OD2 3.48Å; S102-L106 PolarHBondContact O-N 3.03Å
103	P	98.3	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-46.1	-42.7	170.3	-30.2	31.7	0	0	0	113.6	L106 I107 N191 L214 A291 A294 W295 L298	P103-L106 PolarHBondContact O-N 3.04Å; P103-I107 WeakPolarHBondContact O-CG1 3.34Å; P103-I107 PolarHBondContact O-N 3.31Å; P103-N191 WeakPolarHBondContact CB-OD1 2.83Å; P103-N191 WeakPolarHBondContact CD-OD1 3.42Å; P103-N191 VanDerWaalsContact CG-OD1 3.28Å; P103-N191 WeakPolarHBondContact CG-OD1 3.32Å; P103-L214 HydrophobicContact CB-CD2 3.98Å; P103-A291 HydrophobicContact CB-CB 4.13Å; P103-A294 HydrophobicContact CG-CB 4.12Å; P103-W295 HydrophobicContact CG-CB 4.05Å; P103-L298 HydrophobicContact CG-CD1 4.02Å
104	M	98	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-46.4	176.6	-60	179.6	-58.7	0	0	112.5	S102 L106 I107 L108 N191 K195 L203 E207 A210 L211	S102-M104 PolarHBondContact O-N 2.91Å; M104-L106 VanDerWaalsContact C-N 3.33Å; M104-L106 PolarHBondContact O-N 3.01Å; M104-I107 PolarHBondContact O-N 3.45Å; M104-L108 WeakPolarHBondContact O-CB 3.45Å; M104-L108 VanDerWaalsContact O-CG 3.24Å; M104-L108 WeakPolarHBondContact O-CG 3.47Å; M104-L108 PolarHBondContact O-N 2.9Å; M104-N191 HydrophobicContact CE-CB 3.68Å; M104-N191 HydrophobicContact CG-CB 4.29Å; M104-N191 HydrophobicContact SD-CB 3.95Å; M104-K195 HydrophobicContact CE-CB 4.36Å; M104-K195 HydrophobicContact CE-CD 3.79Å; M104-L203 HydrophobicContact CE-CD2 3.79Å; M104-L203 HydrophobicContact SD-CD1 3.85Å; M104-L203 HydrophobicContact SD-CD2 3.82Å; M104-L203 HydrophobicContact SD-CG 4.46Å; M104-E207 HydrophobicContact SD-CB 3.82Å; M104-E207 HydrophobicContact SD-CG 4.22Å; M104-A210 HydrophobicContact CB-CB 4.39Å; M104-L211 HydrophobicContact CG-CD1 4.25Å; M104-L211 HydrophobicContact CG-CD2 3.53Å; M104-L211 HydrophobicContact CG-CG 3.67Å; M104-L211 HydrophobicContact SD-CD1 3.83Å; M104-L211 HydrophobicContact SD-CD2 4.18Å; M104-L211 HydrophobicContact SD-CG 3.9Å
105	D	98.2	Very high	95.9	Very high	28 Å²	28	50.8 Å²	50.8	15%	0.15	26%	0.259	C	S	.	.	H	α-helix	trans	-68.9	-32.6	-177.5	-70.3	-41.2	0	0	0	112.3	M101 S102 Q109 K195	M101-D105 HydrophobicContact CE-CB 3.75Å; S102-D105 PolarHBondContact O-N 3.4Å; S102-D105 WeakPolarHBondContact OG-CB 3.48Å; S102-D105 PolarHBondContact OG-N 3.08Å; S102-D105 VanDerWaalsContact OG-N 3.11Å; S102-D105 PolarHBondContact OG-OD2 3.48Å; D105-Q109 WeakPolarHBondContact O-CB 3.35Å; D105-Q109 WeakPolarHBondContact O-CG 3.4Å; D105-Q109 PolarHBondContact O-N 3.4Å; D105-K195 WeakPolarHBondContact OD1-CE 3.36Å; D105-K195 IonicContact OD1-NZ 3.83Å; D105-K195 PolarHBondContact OD1-NZ 3.48Å; D105-K195 WeakPolarHBondContact OD2-CD 3.37Å; D105-K195 WeakPolarHBondContact OD2-CE 3.42Å; D105-K195 IonicContact OD2-NZ 2.88Å
106	L	98.4	Very high	96	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-50	173.6	-71	163.3	0	0	0	110.8	H99 M101 S102 P103 M104 R110 H111 A291 A294	H99-L106 WeakPolarHBondContact CE1-CD1 3.42Å; M101-L106 HydrophobicContact CB-CD2 3.97Å; M101-L106 HydrophobicContact CB-CG 3.94Å; M101-L106 HydrophobicContact SD-CD2 4.16Å; S102-L106 PolarHBondContact O-N 3.03Å; P103-L106 PolarHBondContact O-N 3.04Å; M104-L106 VanDerWaalsContact C-N 3.33Å; M104-L106 PolarHBondContact O-N 3.01Å; L106-R110 CarbonylContact O-C 3.17Å; L106-R110 VanDerWaalsContact O-CA 3.28Å; L106-R110 WeakPolarHBondContact O-CA 3.09Å; L106-R110 PolarHBondContact O-N 2.97Å; L106-H111 HydrophobicContact CD2-CB 4.03Å; L106-H111 PolarHBondContact O-N 3.07Å; L106-A291 HydrophobicContact CB-CB 4.13Å; L106-A291 HydrophobicContact CD1-CB 4.23Å; L106-A294 HydrophobicContact CD1-CB 3.91Å
107	I	98.5	Very high	96.2	Very high	20 Å²	20	50.6 Å²	50.6	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-49.9	-179.8	-63.5	173.9	0	0	0	110.8	P103 M104 Q109 R110 A210 L214 I288 A291	P103-I107 WeakPolarHBondContact O-CG1 3.34Å; P103-I107 PolarHBondContact O-N 3.31Å; M104-I107 PolarHBondContact O-N 3.45Å; I107-Q109 VanDerWaalsContact C-N 3.31Å; I107-Q109 PolarHBondContact O-N 2.91Å; I107-R110 PolarHBondContact O-N 3.02Å; I107-A210 HydrophobicContact CB-CB 4Å; I107-A210 HydrophobicContact CD1-CB 4.32Å; I107-A210 VanDerWaalsContact CD1-O 3.28Å; I107-A210 WeakPolarHBondContact CD1-O 3.19Å; I107-A210 HydrophobicContact CG2-CB 3.91Å; I107-L214 HydrophobicContact CD1-CB 4.17Å; I107-I288 HydrophobicContact CD1-CG1 4.37Å; I107-I288 HydrophobicContact CG1-CG1 4.19Å; I107-A291 HydrophobicContact CD1-CB 3.85Å; I107-A291 HydrophobicContact CG1-CB 3.69Å
108	L	98.3	Very high	96.1	Very high	71 Å²	71	53.1 Å²	53.1	37%	0.372	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-36.2	-176.6	-70.7	175.3	0	0	0	112.9	M104 D206 E207 A210	M104-L108 WeakPolarHBondContact O-CB 3.45Å; M104-L108 VanDerWaalsContact O-CG 3.24Å; M104-L108 WeakPolarHBondContact O-CG 3.47Å; M104-L108 PolarHBondContact O-N 2.9Å; L108-D206 HydrophobicContact CD2-CB 3.81Å; L108-E207 HydrophobicContact CD1-CG 3.89Å; L108-A210 HydrophobicContact CD2-CB 4.3Å; L108-A210 HydrophobicContact CG-CB 4.11Å
109	Q	97.9	Very high	96	Very high	122 Å²	122	52.6 Å²	52.6	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-92.4	-5.1	-179.6	-57.3	178.9	35	0	0	112.7	M101 D105 I107 H111	M101-Q109 HydrophobicContact CE-CB 4.34Å; M101-Q109 HydrophobicContact CE-CG 4.37Å; D105-Q109 WeakPolarHBondContact O-CB 3.35Å; D105-Q109 WeakPolarHBondContact O-CG 3.4Å; D105-Q109 PolarHBondContact O-N 3.4Å; I107-Q109 VanDerWaalsContact C-N 3.31Å; I107-Q109 PolarHBondContact O-N 2.91Å; Q109-H111 HydrophobicContact CB-CB 4.47Å; Q109-H111 PolarHBondContact O-N 2.93Å
110	R	97.4	Very high	95.9	Very high	189 Å²	189	53 Å²	53	71%	0.713	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	44.9	-172	-52.7	-174.1	-178	-159.1	-6.7	111.5	L106 I107 E287	L106-R110 CarbonylContact O-C 3.17Å; L106-R110 VanDerWaalsContact O-CA 3.28Å; L106-R110 WeakPolarHBondContact O-CA 3.09Å; L106-R110 PolarHBondContact O-N 2.97Å; I107-R110 PolarHBondContact O-N 3.02Å; R110-E287 HydrophobicContact CB-CG 4.42Å; R110-E287 WeakPolarHBondContact CG-OE1 3.48Å
111	H	97.2	Very high	95.7	Very high	60 Å²	60	49.6 Å²	49.6	28%	0.278	28%	0.275	S	S	.	.			trans	-85.9	134.3	-177.2	-177.9	81.9	0	0	0	110.2	M101 L106 Q109	M101-H111 HydrophobicContact CE-CB 3.98Å; M101-H111 HydrophobicContact SD-CB 3.96Å; M101-H111 VanDerWaalsContact SD-CD2 3.56Å; M101-H111 VanDerWaalsContact SD-CG 3.58Å; L106-H111 HydrophobicContact CD2-CB 4.03Å; L106-H111 PolarHBondContact O-N 3.07Å; Q109-H111 HydrophobicContact CB-CB 4.47Å; Q109-H111 PolarHBondContact O-N 2.93Å
112	I	95.1	Very high	95.5	Very high	65 Å²	65	48.1 Å²	48.1	33%	0.333	27%	0.267	S	S	.	.			trans	-129.7	139.4	173.5	-58.3	161.4	0	0	0	106.5	S114 D286 E287	I112-S114 PolarHBondContact O-N 3.26Å; I112-D286 HydrophobicContact CD1-CB 3.54Å; I112-D286 HydrophobicContact CG1-CB 3.96Å; I112-E287 HydrophobicContact CG1-CB 4.41Å
113	P	94.2	Very high	95.3	Very high	17 Å²	17	48.3 Å²	48.3	11%	0.11	27%	0.268	C	S	.	.			trans	-57.1	132.7	178.2	-22.8	33.7	0	0	0	111.7	L97	L97-P113 VanDerWaalsContact O-CG 3.27Å; L97-P113 WeakPolarHBondContact O-CG 3.5Å
114	S	91.9	Very high	94.9	Very high	120 Å²	120	48.3 Å²	48.3	84%	0.839	27%	0.268	S	S	*	.			trans	-105.2	18.1	-175.5	70	0	0	0	0	114.1	I112 G116	I112-S114 PolarHBondContact O-N 3.26Å; S114-G116 VanDerWaalsContact C-N 3.31Å
115	D	93.5	Very high	94.5	Very high	83 Å²	83	51.7 Å²	51.7	44%	0.444	28%	0.283	S	S	.	.	S	Bend	trans	-80.4	-11.2	-178.9	60.6	8.4	0	0	0	113.5	V117 R122	D115-V117 PolarHBondContact OD1-N 3.36Å; D115-R122 IonicContact OD1-CZ 3.78Å; D115-R122 IonicContact OD1-NH2 3.62Å; D115-R122 PolarHBondContact OD1-NH2 3.2Å; D115-R122 IonicContact OD2-CZ 3.36Å; D115-R122 IonicContact OD2-NH1 3.77Å; D115-R122 IonicContact OD2-NH2 2.85Å; D115-R122 PolarHBondContact OD2-NH2 3.17Å
116	G	93	Very high	94	Very high	70 Å²	70	50.5 Å²	50.5	72%	0.722	28%	0.276	S	S	*	.			trans	81.5	10.2	178.9	0	0	0	0	0	114.8	S114	S114-G116 VanDerWaalsContact C-N 3.31Å
117	V	93.3	Very high	93.5	Very high	54 Å²	54	50.8 Å²	50.8	33%	0.327	28%	0.278	S	S	.	.			trans	-78	124.1	174.1	-178.4	0	0	0	0	109.4	D115 T121 R122	D115-V117 PolarHBondContact OD1-N 3.36Å; V117-T121 HydrophobicContact CG1-CG2 3.88Å; V117-R122 HydrophobicContact CG1-CG 3.98Å
118	P	93.5	Very high	92.8	Very high	55 Å²	55	49.9 Å²	49.9	36%	0.357	27%	0.273	S	S	.	.			trans	-59.3	151.9	176.9	-22.7	33.4	0	0	0	112.9	E120 T121 R122 L255	P118-E120 VanDerWaalsContact C-N 3.28Å; P118-E120 WeakPolarHBondContact CB-OE2 3.42Å; P118-E120 PolarHBondContact O-N 3.14Å; P118-T121 PolarHBondContact O-N 3.18Å; P118-R122 PolarHBondContact O-N 3.46Å; P118-R122 VanDerWaalsContact O-N 3.17Å; P118-L255 HydrophobicContact CB-CD1 4.47Å
119	L	93	Very high	92.1	Very high	20 Å²	20	47.5 Å²	47.5	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-43.2	176.9	173.8	63.8	0	0	0	111.3	T121 R122 I123 L135 I289 L293	L119-T121 VanDerWaalsContact C-N 3.33Å; L119-T121 PolarHBondContact O-N 3.43Å; L119-R122 WeakPolarHBondContact O-CB 3.36Å; L119-R122 PolarHBondContact O-N 3.44Å; L119-I123 HydrophobicContact CD1-CD1 4.21Å; L119-I123 HydrophobicContact CD1-CG1 4.49Å; L119-I123 HydrophobicContact CG-CD1 4.06Å; L119-I123 WeakPolarHBondContact O-CG1 2.94Å; L119-I123 PolarHBondContact O-N 3.45Å; L119-L135 HydrophobicContact CD2-CD1 4.15Å; L119-I289 HydrophobicContact CD1-CG2 3.96Å; L119-I289 HydrophobicContact CD2-CG2 3.87Å; L119-L293 HydrophobicContact CD1-CD1 3.68Å
120	E	93	Very high	91.3	Very high	16 Å²	16	42 Å²	42	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-56.8	-45.7	178.9	-63.4	81.4	176	0	0	111.4	P118 R122 I123 A124 F251 S252 L255 V256	P118-E120 VanDerWaalsContact C-N 3.28Å; P118-E120 WeakPolarHBondContact CB-OE2 3.42Å; P118-E120 PolarHBondContact O-N 3.14Å; E120-R122 VanDerWaalsContact C-N 3.31Å; E120-R122 PolarHBondContact O-N 3.32Å; E120-I123 PolarHBondContact O-N 3.28Å; E120-A124 PolarHBondContact O-N 3.33Å; E120-F251 HydrophobicContact CB-CE2 4.38Å; E120-F251 HydrophobicContact CG-CD2 3.88Å; E120-F251 HydrophobicContact CG-CE2 3.72Å; E120-F251 HydrophobicContact CG-CZ 4.29Å; E120-S252 WeakPolarHBondContact CG-O 3.39Å; E120-S252 PolarHBondContact OE1-N 3.17Å; E120-L255 HydrophobicContact CB-CB 3.66Å; E120-L255 HydrophobicContact CB-CD1 4.48Å; E120-L255 HydrophobicContact CG-CB 4.08Å; E120-L255 HydrophobicContact CG-CD1 4.39Å; E120-V256 HydrophobicContact CB-CG2 3.78Å; E120-V256 HydrophobicContact CG-CG2 4.25Å
121	T	93	Very high	90.4	Very high	13 Å²	13	33.9 Å²	33.9	8%	0.08	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-34.3	176.2	-54.8	0	0	0	0	111.8	V117 P118 L119 K125 E259	V117-T121 HydrophobicContact CG1-CG2 3.88Å; P118-T121 PolarHBondContact O-N 3.18Å; L119-T121 VanDerWaalsContact C-N 3.33Å; L119-T121 PolarHBondContact O-N 3.43Å; T121-K125 HydrophobicContact CG2-CD 4.2Å; T121-K125 WeakPolarHBondContact O-CB 3.47Å; T121-K125 WeakPolarHBondContact O-CG 3.31Å; T121-K125 PolarHBondContact O-N 3.08Å; T121-E259 HydrophobicContact CG2-CG 4.4Å; T121-E259 WeakPolarHBondContact CG2-OE1 3.45Å
122	R	93.4	Very high	89.6	Confident	5 Å²	5	31.9 Å²	31.9	2%	0.019	20%	0.202	C	C	.	.	H	α-helix	trans	-67.4	-40.4	175.5	-65.8	-177.2	-174.4	-74.3	3.5	111.9	T96 L97 D115 V117 P118 L119 E120 K125 L126	T96-R122 PolarHBondContact O-NH1 3.31Å; L97-R122 VanDerWaalsContact O-CZ 3.31Å; L97-R122 PolarHBondContact O-NH1 2.84Å; D115-R122 IonicContact OD1-CZ 3.78Å; D115-R122 IonicContact OD1-NH2 3.62Å; D115-R122 PolarHBondContact OD1-NH2 3.2Å; D115-R122 IonicContact OD2-CZ 3.36Å; D115-R122 IonicContact OD2-NH1 3.77Å; D115-R122 IonicContact OD2-NH2 2.85Å; D115-R122 PolarHBondContact OD2-NH2 3.17Å; V117-R122 HydrophobicContact CG1-CG 3.98Å; P118-R122 PolarHBondContact O-N 3.46Å; P118-R122 VanDerWaalsContact O-N 3.17Å; L119-R122 WeakPolarHBondContact O-CB 3.36Å; L119-R122 PolarHBondContact O-N 3.44Å; E120-R122 VanDerWaalsContact C-N 3.31Å; E120-R122 PolarHBondContact O-N 3.32Å; R122-K125 PolarHBondContact O-N 3.11Å; R122-L126 WeakPolarHBondContact O-CB 3.46Å; R122-L126 WeakPolarHBondContact O-CG 3.1Å; R122-L126 PolarHBondContact O-N 2.97Å
123	I	92.3	Very high	89.1	Confident	6 Å²	6	30.4 Å²	30.4	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-46.1	178.3	-70.7	169.4	0	0	0	110.5	L119 E120 K125 L126 W127 L135 I136 F251 L293	L119-I123 HydrophobicContact CD1-CD1 4.21Å; L119-I123 HydrophobicContact CD1-CG1 4.49Å; L119-I123 HydrophobicContact CG-CD1 4.06Å; L119-I123 WeakPolarHBondContact O-CG1 2.94Å; L119-I123 PolarHBondContact O-N 3.45Å; E120-I123 PolarHBondContact O-N 3.28Å; I123-K125 VanDerWaalsContact C-N 3.28Å; I123-K125 PolarHBondContact O-N 3.47Å; I123-L126 PolarHBondContact O-N 2.98Å; I123-W127 PolarHBondContact O-N 3.07Å; I123-W127 VanDerWaalsContact O-N 3.14Å; I123-L135 HydrophobicContact CD1-CB 4Å; I123-L135 HydrophobicContact CD1-CD1 3.58Å; I123-L135 HydrophobicContact CD1-CG 3.87Å; I123-I136 HydrophobicContact CG2-CD1 4.49Å; I123-I136 HydrophobicContact CG2-CG1 4.13Å; I123-F251 HydrophobicContact CD1-CE2 3.48Å; I123-F251 VanDerWaalsContact CD1-CE2 3.48Å; I123-F251 HydrophobicContact CD1-CZ 3.61Å; I123-L293 HydrophobicContact CG1-CD2 4.41Å
124	A	90.7	Very high	88.8	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-57.8	-41.1	174.2	0	0	0	0	0	112.1	E120 W127 L128 V256 E259 F260	E120-A124 PolarHBondContact O-N 3.33Å; A124-W127 PolarHBondContact O-N 3.05Å; A124-L128 WeakPolarHBondContact O-CB 3.39Å; A124-L128 WeakPolarHBondContact O-CG 3.26Å; A124-L128 PolarHBondContact O-N 3.07Å; A124-V256 HydrophobicContact CB-CG1 3.96Å; A124-V256 WeakPolarHBondContact CB-O 3.13Å; A124-E259 HydrophobicContact CB-CB 3.99Å; A124-E259 HydrophobicContact CB-CG 3.77Å; A124-F260 HydrophobicContact CB-CE2 4.17Å
125	K	89	Confident	88.8	Confident	70 Å²	70	24 Å²	24	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-74	-33.1	178.2	-73.4	178.6	-179.7	177.7	0	114	T121 R122 I123 W127 D129 E259	T121-K125 HydrophobicContact CG2-CD 4.2Å; T121-K125 WeakPolarHBondContact O-CB 3.47Å; T121-K125 WeakPolarHBondContact O-CG 3.31Å; T121-K125 PolarHBondContact O-N 3.08Å; R122-K125 PolarHBondContact O-N 3.11Å; I123-K125 VanDerWaalsContact C-N 3.28Å; I123-K125 PolarHBondContact O-N 3.47Å; K125-W127 PolarHBondContact O-N 3.2Å; K125-D129 VanDerWaalsContact O-CB 3.25Å; K125-D129 WeakPolarHBondContact O-CB 3.45Å; K125-D129 PolarHBondContact O-N 3.29Å; K125-E259 WeakPolarHBondContact CE-OE2 3.44Å; K125-E259 IonicContact NZ-OE2 3.84Å
126	L	88.5	Confident	88.5	Confident	3 Å²	3	20.2 Å²	20.2	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-58.5	-42.5	171.5	-81.5	168.7	0	0	0	110.3	T96 L97 R122 I123 H130 G131 L132 L293 V297	T96-L126 HydrophobicContact CG2-CD2 3.63Å; T96-L126 HydrophobicContact CG2-CG 3.94Å; L97-L126 HydrophobicContact CD2-CD1 4.16Å; L97-L126 HydrophobicContact CD2-CD2 4.19Å; L97-L126 HydrophobicContact CD2-CG 4.45Å; R122-L126 WeakPolarHBondContact O-CB 3.46Å; R122-L126 WeakPolarHBondContact O-CG 3.1Å; R122-L126 PolarHBondContact O-N 2.97Å; I123-L126 PolarHBondContact O-N 2.98Å; L126-H130 CarbonylContact O-C 3.28Å; L126-H130 WeakPolarHBondContact O-CA 2.95Å; L126-H130 VanDerWaalsContact O-CB 3.32Å; L126-H130 WeakPolarHBondContact O-CB 3.36Å; L126-H130 PolarHBondContact O-N 3.01Å; L126-H130 VanDerWaalsContact O-N 3.12Å; L126-G131 PolarHBondContact O-N 2.92Å; L126-L132 CarbonylContact C-O 3.24Å; L126-L132 HydrophobicContact CB-CB 4.19Å; L126-L132 HydrophobicContact CD2-CB 4.44Å; L126-L132 HydrophobicContact CD2-CD1 4.14Å; L126-L132 PolarHBondContact O-N 2.98Å; L126-L293 HydrophobicContact CD1-CB 4.2Å; L126-L293 HydrophobicContact CD1-CD1 4.16Å; L126-L293 HydrophobicContact CD1-CD2 3.94Å; L126-L293 HydrophobicContact CD1-CG 4.32Å; L126-V297 HydrophobicContact CD2-CG2 3.56Å
127	W	86.8	Confident	88.1	Confident	6 Å²	6	17.2 Å²	17.2	2%	0.023	10%	0.096	C	C	.	.	H	α-helix	trans	-68.5	-56.6	174.1	-171	86.5	0	0	0	112.4	I123 A124 K125 D129 G131 L132 L138 I140 F260 H378 F492	I123-W127 PolarHBondContact O-N 3.07Å; I123-W127 VanDerWaalsContact O-N 3.14Å; A124-W127 PolarHBondContact O-N 3.05Å; K125-W127 PolarHBondContact O-N 3.2Å; W127-D129 PolarHBondContact O-N 2.84Å; W127-G131 VanDerWaalsContact O-CA 3.25Å; W127-G131 WeakPolarHBondContact O-CA 3.4Å; W127-G131 PolarHBondContact O-N 2.77Å; W127-L132 PolarHBondContact N-O 2.79Å; W127-L138 HydrophobicContact CD2-CD2 3.71Å; W127-L138 HydrophobicContact CE3-CD2 4Å; W127-L138 HydrophobicContact CG-CB 4.44Å; W127-L138 HydrophobicContact CG-CD2 4.4Å; W127-L138 HydrophobicContact CH2-CD2 3.75Å; W127-L138 HydrophobicContact CZ2-CD2 3.39Å; W127-L138 HydrophobicContact CZ3-CD2 4.05Å; W127-L138 PolarHBondContact NE1-O 3.08Å; W127-I140 HydrophobicContact CH2-CD1 3.76Å; W127-I140 HydrophobicContact CH2-CG1 4.12Å; W127-I140 HydrophobicContact CZ3-CD1 4.37Å; W127-F260 HydrophobicContact CD2-CZ 4.39Å; W127-F260 AromaticContact CE3-CE1 3.62Å; W127-F260 HydrophobicContact CE3-CE1 3.62Å; W127-F260 AromaticContact CE3-CZ 3.67Å; W127-F260 HydrophobicContact CE3-CZ 3.67Å; W127-F260 HydrophobicContact CH2-CE1 4.07Å; W127-F260 HydrophobicContact CZ3-CD1 4.39Å; W127-F260 AromaticContact CZ3-CE1 3.35Å; W127-F260 HydrophobicContact CZ3-CE1 3.35Å; W127-F260 AromaticContact CZ3-CZ 3.93Å; W127-F260 HydrophobicContact CZ3-CZ 3.93Å; W127-H378 AromaticContact CZ2-NE2 3.85Å; W127-F492 AromaticContact CD2-CD1 3.65Å; W127-F492 HydrophobicContact CD2-CD1 3.65Å; W127-F492 HydrophobicContact CD2-CE1 4.14Å; W127-F492 AromaticContact CE2-CD1 3.36Å; W127-F492 AromaticContact CE2-CE1 3.56Å; W127-F492 HydrophobicContact CE3-CB 4.46Å; W127-F492 AromaticContact CE3-CD1 3.95Å; W127-F492 HydrophobicContact CE3-CD1 3.95Å; W127-F492 HydrophobicContact CG-CD1 4.28Å; W127-F492 HydrophobicContact CG-CE1 4.45Å; W127-F492 HydrophobicContact CH2-CB 4.48Å; W127-F492 AromaticContact CH2-CD1 3.74Å; W127-F492 HydrophobicContact CH2-CD1 3.74Å; W127-F492 AromaticContact CZ2-CD1 3.44Å; W127-F492 HydrophobicContact CZ2-CD1 3.44Å; W127-F492 VanDerWaalsContact CZ2-CD1 3.44Å; W127-F492 AromaticContact CZ2-CE1 3.82Å; W127-F492 HydrophobicContact CZ2-CE1 3.82Å; W127-F492 HydrophobicContact CZ3-CB 4.22Å; W127-F492 AromaticContact CZ3-CD1 3.98Å; W127-F492 HydrophobicContact CZ3-CD1 3.98Å; W127-F492 AromaticContact NE1-CD1 3.82Å; W127-F492 AromaticContact NE1-CE1 3.53Å
128	L	84.5	Confident	87.7	Confident	2 Å²	2	14.9 Å²	14.9	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-64.3	-35.1	-173.8	-81.5	171.5	0	0	0	114.1	A124 E259 F260 S489 H493 A496	A124-L128 WeakPolarHBondContact O-CB 3.39Å; A124-L128 WeakPolarHBondContact O-CG 3.26Å; A124-L128 PolarHBondContact O-N 3.07Å; L128-E259 HydrophobicContact CD1-CB 3.6Å; L128-F260 HydrophobicContact CD2-CE1 4.19Å; L128-F260 HydrophobicContact CG-CE1 4.43Å; L128-F260 HydrophobicContact CG-CZ 4.27Å; L128-S489 WeakPolarHBondContact O-CA 3.38Å; L128-H493 PolarHBondContact O-CE1 3.28Å; L128-H493 VanDerWaalsContact O-CE1 3.23Å; L128-H493 PolarHBondContact O-ND1 3.28Å; L128-A496 HydrophobicContact CD2-CB 4.01Å
129	D	83.2	Confident	87	Confident	21 Å²	21	12.9 Å²	12.9	11%	0.112	7%	0.067	C	C	.	.	H	α-helix	trans	-99.1	-22	-174.9	-70.5	-23.6	0	0	0	113.7	K125 W127 S489 H493	K125-D129 VanDerWaalsContact O-CB 3.25Å; K125-D129 WeakPolarHBondContact O-CB 3.45Å; K125-D129 PolarHBondContact O-N 3.29Å; W127-D129 PolarHBondContact O-N 2.84Å; D129-S489 PolarHBondContact OD1-OG 2.65Å; D129-H493 IonicContact OD1-CE1 2.78Å; D129-H493 PolarHBondContact OD1-CE1 2.97Å
130	H	81.2	Confident	86.6	Confident	6 Å²	6	12.2 Å²	12.2	3%	0.028	6%	0.064	C	C	.	.	H	α-helix	trans	-136.2	0	-171.3	-49.6	-74.9	0	0	0	114.3	L92 T96 L126 L132 T488	L92-H130 VanDerWaalsContact CG-CE1 3.42Å; L92-H130 WeakPolarHBondContact CG-CE1 3.33Å; T96-H130 PolarHBondContact OG1-NE2 3.03Å; L126-H130 CarbonylContact O-C 3.28Å; L126-H130 WeakPolarHBondContact O-CA 2.95Å; L126-H130 VanDerWaalsContact O-CB 3.32Å; L126-H130 WeakPolarHBondContact O-CB 3.36Å; L126-H130 PolarHBondContact O-N 3.01Å; L126-H130 VanDerWaalsContact O-N 3.12Å; H130-L132 HydrophobicContact CB-CB 4.42Å; H130-L132 HydrophobicContact CB-CD1 3.99Å; H130-L132 HydrophobicContact CB-CG 4.05Å; H130-L132 PolarHBondContact O-N 3.21Å; H130-L132 VanDerWaalsContact O-N 3.15Å; H130-T488 WeakPolarHBondContact O-CG2 3.39Å
131	G	78.1	Confident	86.2	Confident	19 Å²	19	12.1 Å²	12.1	20%	0.196	7%	0.067	C	C	.	.			trans	65.9	12.1	-177.8	0	0	0	0	0	114.2	L126 W127 Q133	L126-G131 PolarHBondContact O-N 2.92Å; W127-G131 VanDerWaalsContact O-CA 3.25Å; W127-G131 WeakPolarHBondContact O-CA 3.4Å; W127-G131 PolarHBondContact O-N 2.77Å; G131-Q133 PolarHBondContact O-N 3.24Å
132	L	81.4	Confident	86	Confident	18 Å²	18	12.1 Å²	12.1	9%	0.094	7%	0.066	C	C	.	.			trans	-87.3	110.9	-173.2	-76.1	175.1	0	0	0	111.1	L126 W127 H130 V297 D300	L126-L132 CarbonylContact C-O 3.24Å; L126-L132 HydrophobicContact CB-CB 4.19Å; L126-L132 HydrophobicContact CD2-CB 4.44Å; L126-L132 HydrophobicContact CD2-CD1 4.14Å; L126-L132 PolarHBondContact O-N 2.98Å; W127-L132 PolarHBondContact N-O 2.79Å; H130-L132 HydrophobicContact CB-CB 4.42Å; H130-L132 HydrophobicContact CB-CD1 3.99Å; H130-L132 HydrophobicContact CB-CG 4.05Å; H130-L132 PolarHBondContact O-N 3.21Å; H130-L132 VanDerWaalsContact O-N 3.15Å; L132-V297 HydrophobicContact CD1-CB 4.33Å; L132-V297 HydrophobicContact CD1-CG2 3.65Å; L132-D300 HydrophobicContact CD2-CB 3.56Å; L132-D300 WeakPolarHBondContact CD2-OD2 3.41Å
133	Q	84.3	Confident	85.8	Confident	34 Å²	34	12.1 Å²	12.1	16%	0.159	7%	0.066	C	C	.	.			trans	-72.8	151.6	164.8	-54.3	-168.8	21.2	0	0	109.6	G131 S137 L158	G131-Q133 PolarHBondContact O-N 3.24Å; Q133-S137 VanDerWaalsContact OE1-CA 3.26Å; Q133-L158 HydrophobicContact CB-CB 4.05Å
134	S	87.7	Confident	85.5	Confident	1 Å²	1	13 Å²	13	1%	0.007	7%	0.07	C	C	.	.			trans	-145.3	-93.9	-173.1	54.9	0	0	0	0	114.7	I136 P157	S134-I136 VanDerWaalsContact C-N 3.33Å; S134-I136 PolarHBondContact N-O 2.87Å; S134-P157 WeakPolarHBondContact O-CB 2.96Å
135	L	90.8	Very high	85.5	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-83.2	-16.5	177.9	-61.8	-178	0	0	0	112.9	L119 I123 F217 L221 F273 I277 L281 I289 Y292	L119-L135 HydrophobicContact CD2-CD1 4.15Å; I123-L135 HydrophobicContact CD1-CB 4Å; I123-L135 HydrophobicContact CD1-CD1 3.58Å; I123-L135 HydrophobicContact CD1-CG 3.87Å; L135-F217 HydrophobicContact CD2-CE1 4.09Å; L135-F217 HydrophobicContact CD2-CZ 3.95Å; L135-L221 HydrophobicContact CD2-CD1 4.06Å; L135-F273 WeakPolarHBondContact O-CZ 3.21Å; L135-I277 HydrophobicContact CB-CD1 4.43Å; L135-L281 HydrophobicContact CD1-CD1 4.5Å; L135-L281 HydrophobicContact CD1-CD2 3.89Å; L135-I289 HydrophobicContact CD1-CG2 4.03Å; L135-Y292 HydrophobicContact CD2-CD1 3.92Å; L135-Y292 HydrophobicContact CD2-CE1 4.04Å
136	I	87.9	Confident	85.7	Confident	4 Å²	4	17.8 Å²	17.8	2%	0.021	9%	0.094	C	C	.	.	S	Bend	trans	-141.1	148.6	177.3	62.2	171.8	0	0	0	107.4	I123 S134 L154 F251 L253 V256 F273 F274 I277	I123-I136 HydrophobicContact CG2-CD1 4.49Å; I123-I136 HydrophobicContact CG2-CG1 4.13Å; S134-I136 VanDerWaalsContact C-N 3.33Å; S134-I136 PolarHBondContact N-O 2.87Å; I136-L154 HydrophobicContact CD1-CD2 4.28Å; I136-F251 HydrophobicContact CD1-CE1 4.1Å; I136-F251 HydrophobicContact CD1-CZ 4.48Å; I136-F251 HydrophobicContact CG2-CE1 4.05Å; I136-L253 HydrophobicContact CD1-CD2 4.34Å; I136-V256 HydrophobicContact CD1-CG1 4.27Å; I136-F273 HydrophobicContact CG2-CE1 4.33Å; I136-F274 HydrophobicContact CB-CE1 4.4Å; I136-F274 HydrophobicContact CB-CZ 4.38Å; I136-F274 HydrophobicContact CG2-CE1 3.67Å; I136-F274 HydrophobicContact CG2-CZ 4.08Å; I136-I277 HydrophobicContact CG2-CD1 4.06Å
137	S	84.6	Confident	85.8	Confident	7 Å²	7	18 Å²	18	5%	0.049	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	144.4	161.5	51.6	0	0	0	0	109.6	Q133 L154 G155 T156	Q133-S137 VanDerWaalsContact OE1-CA 3.26Å; S137-L154 WeakPolarHBondContact O-CA 3.49Å; S137-G155 PolarHBondContact N-O 2.81Å; S137-G155 PolarHBondContact O-N 2.5Å; S137-G155 WeakPolarHBondContact OG-CA 3.32Å; S137-G155 PolarHBondContact OG-N 3.07Å; S137-G155 PolarHBondContact OG-O 3.24Å; S137-T156 WeakPolarHBondContact CB-O 3.24Å; S137-T156 PolarHBondContact N-O 3.12Å; S137-T156 PolarHBondContact OG-N 2.76Å; S137-T156 PolarHBondContact OG-O 3Å
138	L	84.3	Confident	86	Confident	5 Å²	5	21.1 Å²	21.1	3%	0.026	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.2	174.7	-169.3	153.5	0	0	0	107.7	W127 I140 I152 Y153 L154 V256 M257 F260	W127-L138 HydrophobicContact CD2-CD2 3.71Å; W127-L138 HydrophobicContact CE3-CD2 4Å; W127-L138 HydrophobicContact CG-CB 4.44Å; W127-L138 HydrophobicContact CG-CD2 4.4Å; W127-L138 HydrophobicContact CH2-CD2 3.75Å; W127-L138 HydrophobicContact CZ2-CD2 3.39Å; W127-L138 HydrophobicContact CZ3-CD2 4.05Å; W127-L138 PolarHBondContact NE1-O 3.08Å; L138-I140 HydrophobicContact CD2-CG1 4.46Å; L138-I152 HydrophobicContact CD1-CG2 4.09Å; L138-I152 HydrophobicContact CD2-CG2 4.09Å; L138-I152 HydrophobicContact CG-CG2 3.79Å; L138-Y153 WeakPolarHBondContact CA-O 3.3Å; L138-L154 HydrophobicContact CB-CD2 4.21Å; L138-L154 HydrophobicContact CD1-CD2 3.88Å; L138-L154 HydrophobicContact CG-CD2 3.9Å; L138-V256 HydrophobicContact CD1-CG1 4.44Å; L138-M257 HydrophobicContact CD1-CE 3.71Å; L138-F260 HydrophobicContact CD1-CE1 4.1Å; L138-F260 HydrophobicContact CD1-CE2 3.9Å; L138-F260 HydrophobicContact CD1-CZ 3.42Å; L138-F260 VanDerWaalsContact CD1-CZ 3.42Å; L138-F260 HydrophobicContact CD2-CE1 3.69Å; L138-F260 HydrophobicContact CD2-CZ 3.76Å; L138-F260 HydrophobicContact CG-CZ 4.29Å
139	Y	80.7	Confident	86.4	Confident	13 Å²	13	24 Å²	24	5%	0.051	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	163.2	164.7	79.5	-89.1	0	0	0	110.8	Y153 F269 I376	Y139-Y153 VanDerWaalsContact CD1-CB 3.46Å; Y139-Y153 HydrophobicContact CD1-CG 4.23Å; Y139-Y153 AromaticContact CD2-CD2 3.96Å; Y139-Y153 HydrophobicContact CD2-CD2 3.96Å; Y139-Y153 HydrophobicContact CD2-CG 4.4Å; Y139-Y153 HydrophobicContact CE1-CD1 4.07Å; Y139-Y153 HydrophobicContact CE1-CD2 4.03Å; Y139-Y153 AromaticContact CE1-CG 3.5Å; Y139-Y153 HydrophobicContact CE1-CG 3.5Å; Y139-Y153 VanDerWaalsContact CE1-CG 3.5Å; Y139-Y153 HydrophobicContact CE2-CD1 4.45Å; Y139-Y153 AromaticContact CE2-CD2 3.32Å; Y139-Y153 HydrophobicContact CE2-CD2 3.32Å; Y139-Y153 AromaticContact CE2-CE2 3.82Å; Y139-Y153 HydrophobicContact CE2-CE2 3.82Å; Y139-Y153 AromaticContact CE2-CG 3.7Å; Y139-Y153 HydrophobicContact CE2-CG 3.7Å; Y139-Y153 AromaticContact CZ-CD1 3.66Å; Y139-Y153 AromaticContact CZ-CD2 3.36Å; Y139-Y153 AromaticContact CZ-CE2 3.97Å; Y139-Y153 AromaticContact CZ-CG 3.18Å; Y139-Y153 PolarHBondContact N-O 3.22Å; Y139-Y153 VanDerWaalsContact N-O 3.14Å; Y139-Y153 PolarHBondContact O-N 2.69Å; Y139-Y153 WeakPolarHBondContact OH-CD1 3.01Å; Y139-Y153 WeakPolarHBondContact OH-CE1 3.44Å; Y139-F269 HydrophobicContact CE1-CD2 4.17Å; Y139-F269 AromaticContact CE1-CE2 3.52Å; Y139-F269 HydrophobicContact CE1-CE2 3.52Å; Y139-F269 HydrophobicContact CE1-CZ 4.4Å; Y139-F269 AromaticContact CZ-CE2 3.71Å; Y139-F269 WeakPolarHBondContact OH-CE2 3.31Å; Y139-F269 WeakPolarHBondContact OH-CZ 3.38Å; Y139-I376 HydrophobicContact CD1-CG1 4.09Å; Y139-I376 HydrophobicContact CD1-CG2 4.16Å; Y139-I376 HydrophobicContact CE1-CG1 4.02Å
140	I	84.3	Confident	86.7	Confident	7 Å²	7	23.6 Å²	23.6	4%	0.036	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.5	177.5	-63.7	173.3	0	0	0	108.2	W127 L138 Y150 I152 F260 D495 A496 L499	W127-I140 HydrophobicContact CH2-CD1 3.76Å; W127-I140 HydrophobicContact CH2-CG1 4.12Å; W127-I140 HydrophobicContact CZ3-CD1 4.37Å; L138-I140 HydrophobicContact CD2-CG1 4.46Å; I140-Y150 HydrophobicContact CG2-CD1 4.29Å; I140-Y150 HydrophobicContact CG2-CG 4.5Å; I140-I152 HydrophobicContact CG1-CG1 4.18Å; I140-F260 HydrophobicContact CD1-CD1 4.25Å; I140-F260 HydrophobicContact CD1-CE1 4.32Å; I140-D495 HydrophobicContact CB-CB 4.46Å; I140-D495 WeakPolarHBondContact CG2-O 3.22Å; I140-A496 HydrophobicContact CD1-CB 4.17Å; I140-L499 HydrophobicContact CD1-CD1 3.72Å; I140-L499 HydrophobicContact CD1-CD2 4.36Å; I140-L499 HydrophobicContact CD1-CG 3.94Å; I140-L499 HydrophobicContact CG1-CD1 4.41Å; I140-L499 HydrophobicContact CG1-CD2 4.31Å; I140-L499 HydrophobicContact CG1-CG 4.42Å; I140-L499 HydrophobicContact CG2-CD2 3.72Å; I140-L499 HydrophobicContact CG2-CG 4.02Å
141	G	84.7	Confident	87.2	Confident	13 Å²	13	23.3 Å²	23.3	13%	0.134	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	168.4	-178.5	0	0	0	0	0	111.3	Y150 I151	G141-Y150 VanDerWaalsContact C-CD1 3.44Å; G141-Y150 CarbonylContact O-C 3.46Å; G141-Y150 VanDerWaalsContact O-CA 3.23Å; G141-Y150 WeakPolarHBondContact O-CA 3.2Å; G141-I151 PolarHBondContact N-O 2.96Å; G141-I151 PolarHBondContact O-N 3.19Å
142	Q	87	Confident	87.8	Confident	13 Å²	13	22.4 Å²	22.4	6%	0.061	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.2	170.4	-72.9	175.8	-101.4	0	0	109.3	E144 S147 R149 Y150 Y153 P503 S522	Q142-E144 PolarHBondContact O-N 3.06Å; Q142-S147 PolarHBondContact NE2-O 3.17Å; Q142-R149 WeakPolarHBondContact CA-O 3.5Å; Q142-Y150 HydrophobicContact CG-CD1 3.99Å; Q142-Y150 HydrophobicContact CG-CE1 3.6Å; Q142-Y153 PolarHBondContact O-OH 3.11Å; Q142-P503 HydrophobicContact CG-CB 4.49Å; Q142-P503 HydrophobicContact CG-CG 4.12Å; Q142-S522 PolarHBondContact NE2-O 3.14Å; Q142-S522 PolarHBondContact OE1-OG 2.88Å
143	D	90.3	Very high	88.2	Confident	5 Å²	5	21.7 Å²	21.7	3%	0.027	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	116.6	175.8	175.9	-8.6	0	0	0	109.5	K145 N146 S147 R149 I151 Y153 Y236	D143-K145 PolarHBondContact O-N 2.91Å; D143-K145 VanDerWaalsContact O-N 3.1Å; D143-K145 PolarHBondContact OD1-N 2.84Å; D143-N146 HydrophobicContact CB-CB 4.28Å; D143-N146 WeakPolarHBondContact CB-O 3.27Å; D143-N146 CarbonylContact O-C 3.59Å; D143-N146 PolarHBondContact O-N 3.09Å; D143-N146 PolarHBondContact OD1-N 3.15Å; D143-S147 WeakPolarHBondContact O-CA 3.25Å; D143-S147 PolarHBondContact O-N 3.32Å; D143-R149 HydrophobicContact CB-CG 3.94Å; D143-R149 PolarHBondContact N-O 3.49Å; D143-I151 HydrophobicContact CB-CD1 3.77Å; D143-I151 HydrophobicContact CB-CG1 3.91Å; D143-I151 HydrophobicContact CB-CG2 3.98Å; D143-Y153 WeakPolarHBondContact CA-OH 3.15Å; D143-Y236 VanDerWaalsContact OD1-CE2 3.27Å; D143-Y236 WeakPolarHBondContact OD1-CE2 3.37Å; D143-Y236 VanDerWaalsContact OD1-CZ 3.31Å; D143-Y236 PolarHBondContact OD1-OH 3.41Å; D143-Y236 PolarHBondContact OD2-OH 2.66Å
144	E	85.4	Confident	88.3	Confident	25 Å²	25	20.1 Å²	20.1	12%	0.117	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.2	-178.1	-73.8	168.8	-153.6	0	0	112.9	Q142 Y153 Y236 N575 L576	Q142-E144 PolarHBondContact O-N 3.06Å; E144-Y153 PolarHBondContact N-OH 3.18Å; E144-Y236 HydrophobicContact CB-CD2 3.98Å; E144-Y236 HydrophobicContact CB-CE2 4.07Å; E144-N575 CarbonylContact O-C 3.46Å; E144-N575 VanDerWaalsContact O-CA 3.27Å; E144-N575 WeakPolarHBondContact O-CA 3.42Å; E144-L576 HydrophobicContact CB-CB 4.39Å; E144-L576 PolarHBondContact O-N 3.38Å
145	K	90.8	Very high	88.3	Confident	111 Å²	111	20.1 Å²	20.1	48%	0.483	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-4	178.5	-63.3	-168.2	-174.3	178.5	0	113.5	D143 Y236 L576	D143-K145 PolarHBondContact O-N 2.91Å; D143-K145 VanDerWaalsContact O-N 3.1Å; D143-K145 PolarHBondContact OD1-N 2.84Å; K145-Y236 HydrophobicContact CB-CE1 4.37Å; K145-Y236 HydrophobicContact CB-CE2 4.28Å; K145-Y236 HydrophobicContact CD-CD1 3.74Å; K145-Y236 HydrophobicContact CD-CE1 3.61Å; K145-Y236 HydrophobicContact CD-CE2 4.48Å; K145-Y236 HydrophobicContact CD-CG 4.25Å; K145-Y236 VanDerWaalsContact CE-CD1 3.47Å; K145-Y236 HydrophobicContact CG-CD1 4.25Å; K145-Y236 HydrophobicContact CG-CD2 4.26Å; K145-Y236 HydrophobicContact CG-CE1 3.99Å; K145-Y236 HydrophobicContact CG-CE2 3.98Å; K145-Y236 HydrophobicContact CG-CG 4.38Å; K145-L576 HydrophobicContact CG-CB 4.42Å
146	N	92.6	Very high	88.1	Confident	61 Å²	61	20.5 Å²	20.5	33%	0.326	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	75.5	175.3	-175.4	5.3	0	0	0	110.8	D143 S148 R149 N575	D143-N146 HydrophobicContact CB-CB 4.28Å; D143-N146 WeakPolarHBondContact CB-O 3.27Å; D143-N146 CarbonylContact O-C 3.59Å; D143-N146 PolarHBondContact O-N 3.09Å; D143-N146 PolarHBondContact OD1-N 3.15Å; N146-S148 PolarHBondContact O-N 3.41Å; N146-S148 PolarHBondContact OD1-OG 2.88Å; N146-R149 HydrophobicContact CB-CG 4.36Å; N146-R149 WeakPolarHBondContact O-CG 3.35Å; N146-R149 PolarHBondContact O-N 2.91Å; N146-R149 VanDerWaalsContact O-N 3.13Å; N146-N575 WeakPolarHBondContact CA-OD1 3.3Å; N146-N575 PolarHBondContact N-OD1 3.39Å
147	S	90.5	Very high	88	Confident	6 Å²	6	20.4 Å²	20.4	4%	0.042	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	-10.5	-175.4	67.4	0	0	0	0	114.8	Q142 D143 R149 P503 S522 N573 G574 N575	Q142-S147 PolarHBondContact NE2-O 3.17Å; D143-S147 WeakPolarHBondContact O-CA 3.25Å; D143-S147 PolarHBondContact O-N 3.32Å; S147-R149 PolarHBondContact O-N 2.89Å; S147-P503 WeakPolarHBondContact O-CG 3.47Å; S147-S522 VanDerWaalsContact CB-O 3.23Å; S147-S522 WeakPolarHBondContact CB-O 3.14Å; S147-N573 PolarHBondContact OG-O 3.04Å; S147-G574 WeakPolarHBondContact CB-O 3.38Å; S147-N575 PolarHBondContact N-OD1 3.14Å; S147-N575 PolarHBondContact OG-OD1 2.6Å
148	S	92.8	Very high	87.7	Confident	72 Å²	72	22.7 Å²	22.7	50%	0.503	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-2.1	176.6	74.8	0	0	0	0	114.8	N146 P503	N146-S148 PolarHBondContact O-N 3.41Å; N146-S148 PolarHBondContact OD1-OG 2.88Å; S148-P503 WeakPolarHBondContact O-CD 3.36Å
149	R	92.2	Very high	87.7	Confident	62 Å²	62	22.7 Å²	22.7	23%	0.234	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.9	177.5	64.3	179.1	-68	-157.9	-2.4	111.3	Q142 D143 N146 S147 E265	Q142-R149 WeakPolarHBondContact CA-O 3.5Å; D143-R149 HydrophobicContact CB-CG 3.94Å; D143-R149 PolarHBondContact N-O 3.49Å; N146-R149 HydrophobicContact CB-CG 4.36Å; N146-R149 WeakPolarHBondContact O-CG 3.35Å; N146-R149 PolarHBondContact O-N 2.91Å; N146-R149 VanDerWaalsContact O-N 3.13Å; S147-R149 PolarHBondContact O-N 2.89Å; R149-E265 IonicContact NH1-OE2 3.58Å; R149-E265 PolarHBondContact NH1-OE2 2.79Å
150	Y	89	Confident	87.8	Confident	13 Å²	13	22.2 Å²	22.2	5%	0.051	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	152.2	166	-64.2	-93.1	0	0	0	111.2	I140 G141 Q142 K498 P503	I140-Y150 HydrophobicContact CG2-CD1 4.29Å; I140-Y150 HydrophobicContact CG2-CG 4.5Å; G141-Y150 VanDerWaalsContact C-CD1 3.44Å; G141-Y150 CarbonylContact O-C 3.46Å; G141-Y150 VanDerWaalsContact O-CA 3.23Å; G141-Y150 WeakPolarHBondContact O-CA 3.2Å; Q142-Y150 HydrophobicContact CG-CD1 3.99Å; Q142-Y150 HydrophobicContact CG-CE1 3.6Å; Y150-K498 HydrophobicContact CD1-CB 4.08Å; Y150-K498 HydrophobicContact CD1-CD 4.3Å; Y150-K498 HydrophobicContact CD2-CB 3.63Å; Y150-K498 WeakPolarHBondContact CD2-O 3.44Å; Y150-K498 HydrophobicContact CE1-CB 4.3Å; Y150-K498 HydrophobicContact CE1-CD 3.86Å; Y150-K498 HydrophobicContact CE2-CB 3.81Å; Y150-K498 HydrophobicContact CE2-CD 4.35Å; Y150-K498 HydrophobicContact CE2-CG 4.28Å; Y150-K498 HydrophobicContact CG-CB 3.76Å; Y150-P503 HydrophobicContact CD2-CG 4.11Å; Y150-P503 HydrophobicContact CE2-CB 3.89Å; Y150-P503 HydrophobicContact CE2-CG 3.59Å
151	I	92	Very high	87.5	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	162.5	171.3	59.6	175.8	0	0	0	109.9	G141 D143 Y153 L238 N267	G141-I151 PolarHBondContact N-O 2.96Å; G141-I151 PolarHBondContact O-N 3.19Å; D143-I151 HydrophobicContact CB-CD1 3.77Å; D143-I151 HydrophobicContact CB-CG1 3.91Å; D143-I151 HydrophobicContact CB-CG2 3.98Å; I151-Y153 HydrophobicContact CD1-CE1 4.25Å; I151-Y153 HydrophobicContact CD1-CE2 4.08Å; I151-Y153 HydrophobicContact CG1-CD2 4.08Å; I151-Y153 HydrophobicContact CG1-CE2 3.5Å; I151-Y153 VanDerWaalsContact CG1-CE2 3.5Å; I151-L238 HydrophobicContact CD1-CD1 4.24Å; I151-N267 HydrophobicContact CD1-CB 3.82Å
152	I	90.9	Very high	86.8	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.2	171.2	-58.8	174.2	0	0	0	108	L138 I140 L154 M257 F260 V263 V266 N267 L499	L138-I152 HydrophobicContact CD1-CG2 4.09Å; L138-I152 HydrophobicContact CD2-CG2 4.09Å; L138-I152 HydrophobicContact CG-CG2 3.79Å; I140-I152 HydrophobicContact CG1-CG1 4.18Å; I152-L154 HydrophobicContact CG2-CD2 3.84Å; I152-L154 HydrophobicContact CG2-CG 4.21Å; I152-M257 HydrophobicContact CD1-CE 4.5Å; I152-M257 HydrophobicContact CD1-SD 3.46Å; I152-M257 WeakPolarHBondContact CD1-SD 3.41Å; I152-M257 HydrophobicContact CG2-CE 4.44Å; I152-M257 HydrophobicContact CG2-SD 4.21Å; I152-F260 HydrophobicContact CD1-CB 4.15Å; I152-F260 HydrophobicContact CD1-CD1 4.02Å; I152-F260 HydrophobicContact CD1-CG 4.03Å; I152-V263 HydrophobicContact CD1-CG1 4.3Å; I152-V263 HydrophobicContact CD1-CG2 4.06Å; I152-V266 HydrophobicContact CB-CB 4.36Å; I152-V266 HydrophobicContact CB-CG1 3.98Å; I152-V266 CarbonylContact O-C 3.43Å; I152-V266 WeakPolarHBondContact O-CA 3.29Å; I152-V266 WeakPolarHBondContact O-CB 3.38Å; I152-N267 PolarHBondContact O-N 2.9Å; I152-L499 HydrophobicContact CD1-CD1 3.8Å; I152-L499 HydrophobicContact CG1-CD1 3.73Å; I152-L499 HydrophobicContact CG1-CD2 3.8Å; I152-L499 HydrophobicContact CG1-CG 4.41Å
153	Y	88.5	Confident	85.6	Confident	3 Å²	3	22.7 Å²	22.7	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.7	172.4	-68.3	-97.5	0	0	0	109.3	L138 Y139 Q142 D143 E144 I151 N267 F269	L138-Y153 WeakPolarHBondContact CA-O 3.3Å; Y139-Y153 VanDerWaalsContact CD1-CB 3.46Å; Y139-Y153 HydrophobicContact CD1-CG 4.23Å; Y139-Y153 AromaticContact CD2-CD2 3.96Å; Y139-Y153 HydrophobicContact CD2-CD2 3.96Å; Y139-Y153 HydrophobicContact CD2-CG 4.4Å; Y139-Y153 HydrophobicContact CE1-CD1 4.07Å; Y139-Y153 HydrophobicContact CE1-CD2 4.03Å; Y139-Y153 AromaticContact CE1-CG 3.5Å; Y139-Y153 HydrophobicContact CE1-CG 3.5Å; Y139-Y153 VanDerWaalsContact CE1-CG 3.5Å; Y139-Y153 HydrophobicContact CE2-CD1 4.45Å; Y139-Y153 AromaticContact CE2-CD2 3.32Å; Y139-Y153 HydrophobicContact CE2-CD2 3.32Å; Y139-Y153 AromaticContact CE2-CE2 3.82Å; Y139-Y153 HydrophobicContact CE2-CE2 3.82Å; Y139-Y153 AromaticContact CE2-CG 3.7Å; Y139-Y153 HydrophobicContact CE2-CG 3.7Å; Y139-Y153 AromaticContact CZ-CD1 3.66Å; Y139-Y153 AromaticContact CZ-CD2 3.36Å; Y139-Y153 AromaticContact CZ-CE2 3.97Å; Y139-Y153 AromaticContact CZ-CG 3.18Å; Y139-Y153 PolarHBondContact N-O 3.22Å; Y139-Y153 VanDerWaalsContact N-O 3.14Å; Y139-Y153 PolarHBondContact O-N 2.69Å; Y139-Y153 WeakPolarHBondContact OH-CD1 3.01Å; Y139-Y153 WeakPolarHBondContact OH-CE1 3.44Å; Q142-Y153 PolarHBondContact O-OH 3.11Å; D143-Y153 WeakPolarHBondContact CA-OH 3.15Å; E144-Y153 PolarHBondContact N-OH 3.18Å; I151-Y153 HydrophobicContact CD1-CE1 4.25Å; I151-Y153 HydrophobicContact CD1-CE2 4.08Å; I151-Y153 HydrophobicContact CG1-CD2 4.08Å; I151-Y153 HydrophobicContact CG1-CE2 3.5Å; I151-Y153 VanDerWaalsContact CG1-CE2 3.5Å; Y153-N267 CarbonylContact C-O 3.05Å; Y153-N267 WeakPolarHBondContact CA-O 3.36Å; Y153-N267 HydrophobicContact CD1-CB 3.65Å; Y153-N267 WeakPolarHBondContact CD1-ND2 3.32Å; Y153-N267 HydrophobicContact CE1-CB 3.89Å; Y153-N267 WeakPolarHBondContact CE1-ND2 3.02Å; Y153-N267 HydrophobicContact CG-CB 4.3Å; Y153-F269 HydrophobicContact CD1-CD1 4.22Å; Y153-F269 HydrophobicContact CD1-CD2 4.17Å; Y153-F269 AromaticContact CD1-CE1 3.54Å; Y153-F269 HydrophobicContact CD1-CE1 3.54Å; Y153-F269 AromaticContact CD1-CE2 3.51Å; Y153-F269 HydrophobicContact CD1-CE2 3.51Å; Y153-F269 AromaticContact CD1-CZ 3.13Å; Y153-F269 HydrophobicContact CD1-CZ 3.13Å; Y153-F269 AromaticContact CE1-CE1 3.65Å; Y153-F269 HydrophobicContact CE1-CE1 3.65Å; Y153-F269 HydrophobicContact CE1-CE2 4.17Å; Y153-F269 AromaticContact CE1-CZ 3.34Å; Y153-F269 HydrophobicContact CE1-CZ 3.34Å; Y153-F269 HydrophobicContact CG-CE2 4.2Å; Y153-F269 HydrophobicContact CG-CZ 4.18Å
154	L	88.3	Confident	84.4	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135	-178.3	-58.5	177	0	0	0	110.3	I136 S137 L138 I152 L253 M257 V266 N267 I268 F269 F274	I136-L154 HydrophobicContact CD1-CD2 4.28Å; S137-L154 WeakPolarHBondContact O-CA 3.49Å; L138-L154 HydrophobicContact CB-CD2 4.21Å; L138-L154 HydrophobicContact CD1-CD2 3.88Å; L138-L154 HydrophobicContact CG-CD2 3.9Å; I152-L154 HydrophobicContact CG2-CD2 3.84Å; I152-L154 HydrophobicContact CG2-CG 4.21Å; L154-L253 HydrophobicContact CD1-CD1 4.49Å; L154-L253 HydrophobicContact CD1-CD2 4.32Å; L154-M257 HydrophobicContact CD2-CE 4.11Å; L154-V266 HydrophobicContact CD1-CG2 4.14Å; L154-N267 PolarHBondContact N-O 3.23Å; L154-I268 HydrophobicContact CB-CG1 4.27Å; L154-I268 HydrophobicContact CD1-CG1 4.38Å; L154-I268 CarbonylContact O-C 3.56Å; L154-I268 WeakPolarHBondContact O-CA 3.17Å; L154-F269 PolarHBondContact O-N 3.21Å; L154-F274 HydrophobicContact CB-CE2 4.24Å; L154-F274 HydrophobicContact CB-CZ 3.76Å
155	G	86.6	Confident	84	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	-163.1	-178.5	0	0	0	0	0	113.6	S137 F274	S137-G155 PolarHBondContact N-O 2.81Å; S137-G155 PolarHBondContact O-N 2.5Å; S137-G155 WeakPolarHBondContact OG-CA 3.32Å; S137-G155 PolarHBondContact OG-N 3.07Å; S137-G155 PolarHBondContact OG-O 3.24Å; G155-F274 WeakPolarHBondContact O-CZ 3.48Å
156	T	87	Confident	83.7	Confident	8 Å²	8	20.7 Å²	20.7	5%	0.049	11%	0.114	C	C	.	.	S	Bend	trans	-64.4	153.7	175.5	54.6	0	0	0	0	111.4	S137 S225 Q270 F273	S137-T156 WeakPolarHBondContact CB-O 3.24Å; S137-T156 PolarHBondContact N-O 3.12Å; S137-T156 PolarHBondContact OG-N 2.76Å; S137-T156 PolarHBondContact OG-O 3Å; T156-S225 WeakPolarHBondContact CB-OG 3.41Å; T156-S225 VanDerWaalsContact CG2-CB 3.4Å; T156-S225 WeakPolarHBondContact CG2-OG 3.04Å; T156-Q270 HydrophobicContact CG2-CB 4.07Å; T156-Q270 HydrophobicContact CG2-CG 4.34Å; T156-Q270 PolarHBondContact OG1-OE1 3.44Å; T156-F273 HydrophobicContact CG2-CB 3.63Å; T156-F273 HydrophobicContact CG2-CD1 4.17Å; T156-F273 HydrophobicContact CG2-CD2 4Å; T156-F273 HydrophobicContact CG2-CG 3.65Å
157	P	85.5	Confident	83.1	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.013	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-62.3	150	178.9	27.1	-37.2	0	0	0	112	S134 L159 H166 L221 F273	S134-P157 WeakPolarHBondContact O-CB 2.96Å; P157-L159 HydrophobicContact CB-CD2 4.37Å; P157-L159 HydrophobicContact CG-CD2 4.01Å; P157-H166 PolarHBondContact O-CE1 2.95Å; P157-H166 PolarHBondContact O-NE2 3.27Å; P157-H166 VanDerWaalsContact O-NE2 3.15Å; P157-L221 HydrophobicContact CG-CB 4.22Å; P157-F273 HydrophobicContact CG-CE2 4.29Å; P157-F273 HydrophobicContact CG-CZ 4.14Å
158	L	78.5	Confident	82.6	Confident	55 Å²	55	22.6 Å²	22.6	29%	0.288	12%	0.121	S	C	.	.	P	Polyproline II helix	trans	-77.5	126.1	157.9	-169.9	68.2	0	0	0	108.1	Q133 V163	Q133-L158 HydrophobicContact CB-CB 4.05Å; L158-V163 HydrophobicContact CD1-CB 4.24Å; L158-V163 HydrophobicContact CD1-CG2 3.62Å
159	L	84.4	Confident	82.4	Confident	5 Å²	5	19.9 Å²	19.9	3%	0.026	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-90.3	168	-179.5	-54.8	178	0	0	0	110.4	P157 L161 G162 H166 Y169 E218 L221 A222	P157-L159 HydrophobicContact CB-CD2 4.37Å; P157-L159 HydrophobicContact CG-CD2 4.01Å; L159-L161 PolarHBondContact O-N 3.43Å; L159-G162 WeakPolarHBondContact O-CA 3.36Å; L159-G162 PolarHBondContact O-N 2.88Å; L159-H166 HydrophobicContact CD1-CB 4.4Å; L159-Y169 HydrophobicContact CB-CE2 3.85Å; L159-Y169 WeakPolarHBondContact CB-OH 3.34Å; L159-Y169 HydrophobicContact CD1-CD2 3.66Å; L159-Y169 HydrophobicContact CD1-CE2 3.36Å; L159-Y169 HydrophobicContact CD1-CG 4.47Å; L159-Y169 HydrophobicContact CG-CE2 4.26Å; L159-E218 HydrophobicContact CD2-CG 4.21Å; L159-L221 HydrophobicContact CD2-CB 4.17Å; L159-A222 HydrophobicContact CD1-CB 3.5Å
160	G	82.3	Confident	82.2	Confident	3 Å²	3	20.5 Å²	20.5	3%	0.031	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.2	-178.3	0	0	0	0	0	114.4	G162 Y169 Y183 E218 L299	G160-G162 VanDerWaalsContact C-N 3.25Å; G160-Y169 PolarHBondContact N-OH 3.48Å; G160-Y183 WeakPolarHBondContact CA-OH 3.38Å; G160-E218 WeakPolarHBondContact CA-OE1 3.27Å; G160-E218 PolarHBondContact N-OE1 2.78Å; G160-L299 WeakPolarHBondContact O-CD2 3.29Å
161	L	77.2	Confident	81.8	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.016	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.8	164.4	-74.7	178.9	0	0	0	113.3	L159 S165 Y169 L179 M180 Y183 L347	L159-L161 PolarHBondContact O-N 3.43Å; L161-S165 VanDerWaalsContact CB-CB 3.41Å; L161-S165 WeakPolarHBondContact O-CB 3.33Å; L161-Y169 HydrophobicContact CB-CE2 3.91Å; L161-Y169 WeakPolarHBondContact CB-OH 3.42Å; L161-Y169 HydrophobicContact CD1-CD2 4.4Å; L161-Y169 HydrophobicContact CD1-CE1 4.45Å; L161-Y169 HydrophobicContact CD1-CE2 3.8Å; L161-Y169 HydrophobicContact CG-CE2 4.16Å; L161-Y169 PolarHBondContact N-OH 3.3Å; L161-L179 HydrophobicContact CD1-CD2 4.4Å; L161-L179 HydrophobicContact CD1-CG 4.45Å; L161-L179 HydrophobicContact CD2-CD1 3.98Å; L161-M180 HydrophobicContact CD1-SD 3.6Å; L161-M180 VanDerWaalsContact CD1-SD 3.6Å; L161-Y183 HydrophobicContact CD1-CG 4.49Å; L161-Y183 HydrophobicContact CD2-CD1 4.45Å; L161-Y183 HydrophobicContact CD2-CD2 3.47Å; L161-Y183 VanDerWaalsContact CD2-CD2 3.47Å; L161-Y183 HydrophobicContact CD2-CE2 4.08Å; L161-Y183 HydrophobicContact CD2-CG 3.69Å; L161-Y183 HydrophobicContact CG-CD1 4.24Å; L161-Y183 HydrophobicContact CG-CD2 3.98Å; L161-Y183 HydrophobicContact CG-CE2 4.26Å; L161-Y183 HydrophobicContact CG-CG 3.98Å; L161-L347 HydrophobicContact CB-CD1 4.49Å; L161-L347 HydrophobicContact CD2-CD1 4.4Å; L161-L347 WeakPolarHBondContact O-CD1 2.96Å; L161-L347 WeakPolarHBondContact O-CG 3.37Å
162	G	70.2	Confident	81.2	Confident	5 Å²	5	28.1 Å²	28.1	5%	0.052	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	83.1	-163.9	174.4	0	0	0	0	0	114.8	L159 G160 S165	L159-G162 WeakPolarHBondContact O-CA 3.36Å; L159-G162 PolarHBondContact O-N 2.88Å; G160-G162 VanDerWaalsContact C-N 3.25Å; G162-S165 WeakPolarHBondContact O-CB 3.21Å; G162-S165 PolarHBondContact O-OG 3.34Å
163	V	63.1	Low	80.5	Confident	36 Å²	36	29.8 Å²	29.8	22%	0.218	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	144.7	-177.4	-173.1	0	0	0	0	109.9	L158 S165 S344	L158-V163 HydrophobicContact CD1-CB 4.24Å; L158-V163 HydrophobicContact CD1-CG2 3.62Å; V163-S165 PolarHBondContact O-N 3.24Å; V163-S344 WeakPolarHBondContact CB-OG 3.42Å; V163-S344 WeakPolarHBondContact CG2-OG 3.09Å
164	D	65.3	Low	79.9	Confident	88 Å²	88	34.4 Å²	34.4	47%	0.471	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	11.7	178.2	-56.4	-32.8	0	0	0	117.2	H166	D164-H166 VanDerWaalsContact C-N 3.26Å; D164-H166 PolarHBondContact O-N 3.18Å
165	S	76.8	Confident	78.9	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.014	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-77.7	-4.7	-179.7	64.4	0	0	0	0	115	L161 G162 V163 E167 L168 Y169	L161-S165 VanDerWaalsContact CB-CB 3.41Å; L161-S165 WeakPolarHBondContact O-CB 3.33Å; G162-S165 WeakPolarHBondContact O-CB 3.21Å; G162-S165 PolarHBondContact O-OG 3.34Å; V163-S165 PolarHBondContact O-N 3.24Å; S165-E167 VanDerWaalsContact C-N 3.3Å; S165-E167 PolarHBondContact O-N 2.96Å; S165-L168 VanDerWaalsContact O-CB 3.24Å; S165-L168 WeakPolarHBondContact O-CB 3.48Å; S165-L168 PolarHBondContact O-N 2.88Å; S165-Y169 WeakPolarHBondContact O-CD2 3.27Å
166	H	83.2	Confident	78.3	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.037	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58.4	-38.7	-168.7	-74.3	79.6	0	0	0	113.6	P157 L159 D164 L168 S225 L226 L231	P157-H166 PolarHBondContact O-CE1 2.95Å; P157-H166 PolarHBondContact O-NE2 3.27Å; P157-H166 VanDerWaalsContact O-NE2 3.15Å; L159-H166 HydrophobicContact CD1-CB 4.4Å; D164-H166 VanDerWaalsContact C-N 3.26Å; D164-H166 PolarHBondContact O-N 3.18Å; H166-L168 VanDerWaalsContact C-N 3.31Å; H166-S225 WeakPolarHBondContact CD2-CB 3.08Å; H166-S225 PolarHBondContact CD2-OG 3.44Å; H166-S225 PolarHBondContact NE2-OG 3.05Å; H166-S225 VanDerWaalsContact NE2-OG 3.16Å; H166-L226 HydrophobicContact CB-CD2 3.78Å; H166-L231 HydrophobicContact CB-CD1 4.02Å; H166-L231 HydrophobicContact CB-CD2 3.92Å; H166-L231 HydrophobicContact CB-CG 3.86Å
167	E	79.8	Confident	78	Confident	81 Å²	81	41.6 Å²	41.6	38%	0.379	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-70.3	-30.6	179.7	-60.3	-174.8	-171.3	0	0	111.9	S165 Y169 L170 S171 L226 S230 L231	S165-E167 VanDerWaalsContact C-N 3.3Å; S165-E167 PolarHBondContact O-N 2.96Å; E167-Y169 VanDerWaalsContact C-N 3.26Å; E167-Y169 PolarHBondContact O-N 3.45Å; E167-L170 PolarHBondContact O-N 2.84Å; E167-L170 VanDerWaalsContact O-N 3.08Å; E167-S171 PolarHBondContact O-N 3Å; E167-L226 HydrophobicContact CG-CD1 4.47Å; E167-L226 HydrophobicContact CG-CD2 3.89Å; E167-S230 WeakPolarHBondContact OE1-CA 3.48Å; E167-S230 WeakPolarHBondContact OE1-CB 3.16Å; E167-L231 PolarHBondContact OE1-N 2.76Å
168	L	81.6	Confident	77.9	Confident	27 Å²	27	45.8 Å²	45.8	14%	0.141	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.7	-34.6	-178.3	-53.1	177.2	0	0	0	111.7	S165 H166 L170 L179 L353	S165-L168 VanDerWaalsContact O-CB 3.24Å; S165-L168 WeakPolarHBondContact O-CB 3.48Å; S165-L168 PolarHBondContact O-N 2.88Å; H166-L168 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.25Å; L168-L179 HydrophobicContact CB-CD2 4.24Å; L168-L179 HydrophobicContact CD1-CD2 3.74Å; L168-L179 HydrophobicContact CG-CD2 4.42Å; L168-L353 HydrophobicContact CD1-CD2 4.37Å
169	Y	87.1	Confident	78	Confident	15 Å²	15	43.3 Å²	43.3	6%	0.059	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-64.5	-20.9	178.1	-72.3	-97.9	0	0	0	113.9	L159 G160 L161 S165 E167 M180 Y183 L215 E218 A222	L159-Y169 HydrophobicContact CB-CE2 3.85Å; L159-Y169 WeakPolarHBondContact CB-OH 3.34Å; L159-Y169 HydrophobicContact CD1-CD2 3.66Å; L159-Y169 HydrophobicContact CD1-CE2 3.36Å; L159-Y169 HydrophobicContact CD1-CG 4.47Å; L159-Y169 HydrophobicContact CG-CE2 4.26Å; G160-Y169 PolarHBondContact N-OH 3.48Å; L161-Y169 HydrophobicContact CB-CE2 3.91Å; L161-Y169 WeakPolarHBondContact CB-OH 3.42Å; L161-Y169 HydrophobicContact CD1-CD2 4.4Å; L161-Y169 HydrophobicContact CD1-CE1 4.45Å; L161-Y169 HydrophobicContact CD1-CE2 3.8Å; L161-Y169 HydrophobicContact CG-CE2 4.16Å; L161-Y169 PolarHBondContact N-OH 3.3Å; S165-Y169 WeakPolarHBondContact O-CD2 3.27Å; E167-Y169 VanDerWaalsContact C-N 3.26Å; E167-Y169 PolarHBondContact O-N 3.45Å; Y169-M180 HydrophobicContact CD1-CE 3.58Å; Y169-M180 HydrophobicContact CD1-SD 4.21Å; Y169-M180 HydrophobicContact CE1-CE 3.96Å; Y169-M180 HydrophobicContact CG-CE 4.26Å; Y169-M180 HydrophobicContact CG-SD 4.39Å; Y169-Y183 HydrophobicContact CE1-CE1 4.44Å; Y169-L215 HydrophobicContact CE1-CD1 4.44Å; Y169-E218 HydrophobicContact CE1-CG 3.83Å; Y169-E218 PolarHBondContact OH-OE1 3.39Å; Y169-A222 HydrophobicContact CD1-CB 4.46Å; Y169-A222 HydrophobicContact CD2-CB 3.94Å; Y169-A222 HydrophobicContact CG-CB 3.79Å
170	L	87.8	Confident	78.2	Confident	74 Å²	74	44.5 Å²	44.5	39%	0.387	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-114.6	-8	-174.8	-55.4	-172.7	0	0	0	114.2	E167 L168 T219 A223 L226	E167-L170 PolarHBondContact O-N 2.84Å; E167-L170 VanDerWaalsContact O-N 3.08Å; L168-L170 PolarHBondContact O-N 3.25Å; L170-T219 HydrophobicContact CD2-CG2 3.85Å; L170-A223 HydrophobicContact CD1-CB 3.92Å; L170-A223 HydrophobicContact CD2-CB 4.07Å; L170-L226 HydrophobicContact CD1-CD1 3.41Å; L170-L226 VanDerWaalsContact CD1-CD1 3.41Å; L170-L226 HydrophobicContact CG-CD1 4.24Å
171	S	80.7	Confident	78.5	Confident	31 Å²	31	47 Å²	47	22%	0.217	26%	0.256	C	S	.	.			trans	-67.9	144.2	178.4	-177.5	0	0	0	0	111.1	E167 D173 N176 W358	E167-S171 PolarHBondContact O-N 3Å; S171-D173 PolarHBondContact OG-N 3.43Å; S171-N176 WeakPolarHBondContact CB-ND2 3.31Å; S171-N176 PolarHBondContact OG-ND2 2.96Å; S171-W358 VanDerWaalsContact OG-CZ2 3.32Å; S171-W358 WeakPolarHBondContact OG-CZ2 3.42Å
172	N	80	Confident	79	Confident	142 Å²	142	48.9 Å²	48.9	76%	0.759	27%	0.266	S	S	*	.			trans	-109.8	26.2	173.7	-57.5	-75.1	0	0	0	111.3
173	D	76	Confident	80	Confident	35 Å²	35	48.7 Å²	48.7	19%	0.187	26%	0.264	C	S	.	.			trans	-67.6	154.8	167.5	-144.8	-76.3	0	0	0	111.1	S171 D175 N176 E177 W358	S171-D173 PolarHBondContact OG-N 3.43Å; D173-D175 VanDerWaalsContact C-N 3.29Å; D173-D175 PolarHBondContact O-N 2.76Å; D173-D175 PolarHBondContact OD1-N 3.36Å; D173-N176 HydrophobicContact CB-CB 4.16Å; D173-E177 VanDerWaalsContact O-CB 3.22Å; D173-E177 WeakPolarHBondContact O-CB 3.37Å; D173-E177 WeakPolarHBondContact O-CG 3.49Å; D173-E177 PolarHBondContact O-N 3.05Å; D173-W358 HydrophobicContact CB-CH2 4.32Å; D173-W358 HydrophobicContact CB-CZ2 3.2Å; D173-W358 VanDerWaalsContact CG-CZ2 3.41Å; D173-W358 VanDerWaalsContact CG-NE1 3.35Å; D173-W358 VanDerWaalsContact OD2-CH2 3.29Å; D173-W358 WeakPolarHBondContact OD2-CH2 3.46Å; D173-W358 WeakPolarHBondContact OD2-CZ2 3.4Å; D173-W358 PolarHBondContact OD2-NE1 3.12Å
174	T	75.4	Confident	81.5	Confident	101 Å²	101	48.4 Å²	48.4	62%	0.62	26%	0.26	S	S	*	.	H	α-helix	trans	-56.5	-46	165.6	-33.7	0	0	0	0	111.2	E177 E178	T174-E177 PolarHBondContact O-N 3.38Å; T174-E178 PolarHBondContact O-N 3.5Å
175	D	67.9	Low	82.9	Confident	42 Å²	42	48.5 Å²	48.5	23%	0.225	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-43.2	-174.8	-69.8	2.4	0	0	0	111.6	D173 E178 L179 E355 C357	D173-D175 VanDerWaalsContact C-N 3.29Å; D173-D175 PolarHBondContact O-N 2.76Å; D173-D175 PolarHBondContact OD1-N 3.36Å; D175-E178 PolarHBondContact O-N 3.3Å; D175-L179 PolarHBondContact O-N 3.39Å; D175-E355 WeakPolarHBondContact CB-O 3.33Å; D175-E355 VanDerWaalsContact OD2-O 3.13Å; D175-C357 PolarHBondContact OD2-N 3.26Å
176	N	75.1	Confident	83.7	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-70.4	-33	176.1	-68	3.5	0	0	0	111.7	S171 D173 E178 M180 V356 W358	S171-N176 WeakPolarHBondContact CB-ND2 3.31Å; S171-N176 PolarHBondContact OG-ND2 2.96Å; D173-N176 HydrophobicContact CB-CB 4.16Å; N176-E178 VanDerWaalsContact C-N 3.3Å; N176-E178 PolarHBondContact O-N 3.14Å; N176-M180 WeakPolarHBondContact O-CB 3.4Å; N176-M180 VanDerWaalsContact O-CG 3.23Å; N176-M180 WeakPolarHBondContact O-CG 3.39Å; N176-M180 PolarHBondContact O-N 2.95Å; N176-V356 WeakPolarHBondContact OD1-CG1 3.47Å; N176-V356 WeakPolarHBondContact OD1-CG2 3.42Å; N176-W358 PolarHBondContact ND2-NE1 3.18Å
177	E	81.1	Confident	84.3	Confident	113 Å²	113	48 Å²	48	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-62.6	-37.4	171.6	-80.5	-179.8	-176.9	0	0	111.6	D173 T174 A181	D173-E177 VanDerWaalsContact O-CB 3.22Å; D173-E177 WeakPolarHBondContact O-CB 3.37Å; D173-E177 WeakPolarHBondContact O-CG 3.49Å; D173-E177 PolarHBondContact O-N 3.05Å; T174-E177 PolarHBondContact O-N 3.38Å; E177-A181 WeakPolarHBondContact O-CB 3.4Å; E177-A181 PolarHBondContact O-N 2.87Å
178	E	82.2	Confident	85.1	Confident	91 Å²	91	46.4 Å²	46.4	43%	0.425	25%	0.246	S	C	.	.	H	α-helix	trans	-68.4	-48.5	175.4	-174.4	145.3	-158.8	0	0	111.5	T174 D175 N176 M180 A181 D182	T174-E178 PolarHBondContact O-N 3.5Å; D175-E178 PolarHBondContact O-N 3.3Å; N176-E178 VanDerWaalsContact C-N 3.3Å; N176-E178 PolarHBondContact O-N 3.14Å; E178-M180 VanDerWaalsContact C-N 3.33Å; E178-M180 PolarHBondContact O-N 3.07Å; E178-A181 WeakPolarHBondContact O-CA 3.34Å; E178-A181 WeakPolarHBondContact O-CB 3.44Å; E178-A181 PolarHBondContact O-N 3.19Å; E178-D182 PolarHBondContact O-N 3.5Å
179	L	80.9	Confident	85.8	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-53.4	-48.1	172.4	163.8	63.3	0	0	0	111.8	L161 L168 D175 A181 D182 Y183 L352 L353 V356	L161-L179 HydrophobicContact CD1-CD2 4.4Å; L161-L179 HydrophobicContact CD1-CG 4.45Å; L161-L179 HydrophobicContact CD2-CD1 3.98Å; L168-L179 HydrophobicContact CB-CD2 4.24Å; L168-L179 HydrophobicContact CD1-CD2 3.74Å; L168-L179 HydrophobicContact CG-CD2 4.42Å; D175-L179 PolarHBondContact O-N 3.39Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 3.02Å; L179-D182 PolarHBondContact O-N 3.35Å; L179-Y183 WeakPolarHBondContact O-CB 3.15Å; L179-Y183 PolarHBondContact O-N 3.31Å; L179-L352 VanDerWaalsContact CD1-C 3.49Å; L179-L352 HydrophobicContact CD1-CB 3.63Å; L179-L352 HydrophobicContact CD1-CD2 3.81Å; L179-L352 HydrophobicContact CD1-CG 4.34Å; L179-L352 WeakPolarHBondContact CD1-O 2.85Å; L179-L352 WeakPolarHBondContact O-CD2 3.45Å; L179-L353 HydrophobicContact CD1-CD2 4.29Å; L179-L353 HydrophobicContact CD2-CD2 4.15Å; L179-V356 HydrophobicContact CB-CG2 4.32Å; L179-V356 HydrophobicContact CD2-CG2 4Å
180	M	87.5	Confident	86.3	Confident	30 Å²	30	47.1 Å²	47.1	15%	0.148	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-31.9	179.4	-71.3	-56.3	-60.4	0	0	112.3	L161 Y169 N176 E178 Y183 F184 L215	L161-M180 HydrophobicContact CD1-SD 3.6Å; L161-M180 VanDerWaalsContact CD1-SD 3.6Å; Y169-M180 HydrophobicContact CD1-CE 3.58Å; Y169-M180 HydrophobicContact CD1-SD 4.21Å; Y169-M180 HydrophobicContact CE1-CE 3.96Å; Y169-M180 HydrophobicContact CG-CE 4.26Å; Y169-M180 HydrophobicContact CG-SD 4.39Å; N176-M180 WeakPolarHBondContact O-CB 3.4Å; N176-M180 VanDerWaalsContact O-CG 3.23Å; N176-M180 WeakPolarHBondContact O-CG 3.39Å; N176-M180 PolarHBondContact O-N 2.95Å; E178-M180 VanDerWaalsContact C-N 3.33Å; E178-M180 PolarHBondContact O-N 3.07Å; M180-Y183 HydrophobicContact CE-CD1 4.43Å; M180-F184 WeakPolarHBondContact O-CB 3.23Å; M180-F184 PolarHBondContact O-N 3.27Å; M180-L215 HydrophobicContact CE-CD1 3.84Å
181	A	90.1	Very high	86.8	Confident	56 Å²	56	43.6 Å²	43.6	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-68.7	-43.5	175	0	0	0	0	0	111.7	E177 E178 L179 Y183 F184 K185	E177-A181 WeakPolarHBondContact O-CB 3.4Å; E177-A181 PolarHBondContact O-N 2.87Å; E178-A181 WeakPolarHBondContact O-CA 3.34Å; E178-A181 WeakPolarHBondContact O-CB 3.44Å; E178-A181 PolarHBondContact O-N 3.19Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 3.02Å; A181-Y183 VanDerWaalsContact C-N 3.34Å; A181-F184 PolarHBondContact O-N 3.05Å; A181-K185 PolarHBondContact O-N 3.45Å
182	D	88.1	Confident	87.6	Confident	43 Å²	43	42.5 Å²	42.5	23%	0.23	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-36.4	175.1	-83.9	-14.5	0	0	0	111.2	E178 L179 F184 K185 A186 L352	E178-D182 PolarHBondContact O-N 3.5Å; L179-D182 PolarHBondContact O-N 3.35Å; D182-F184 VanDerWaalsContact C-N 3.32Å; D182-F184 PolarHBondContact O-N 3.14Å; D182-K185 CarbonylContact O-C 3.59Å; D182-K185 WeakPolarHBondContact O-CA 2.93Å; D182-K185 VanDerWaalsContact O-CB 3.27Å; D182-K185 WeakPolarHBondContact O-CB 3.29Å; D182-K185 PolarHBondContact O-N 3.13Å; D182-A186 PolarHBondContact O-N 3Å; D182-L352 HydrophobicContact CB-CD2 3.24Å; D182-L352 HydrophobicContact CB-CG 4.3Å
183	Y	90.3	Very high	88.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-43.8	176.8	179.7	-117.6	0	0	0	110.3	G160 L161 Y169 L179 M180 A181 K185 A186 M187 L215 E218 W295 L352	G160-Y183 WeakPolarHBondContact CA-OH 3.38Å; L161-Y183 HydrophobicContact CD1-CG 4.49Å; L161-Y183 HydrophobicContact CD2-CD1 4.45Å; L161-Y183 HydrophobicContact CD2-CD2 3.47Å; L161-Y183 VanDerWaalsContact CD2-CD2 3.47Å; L161-Y183 HydrophobicContact CD2-CE2 4.08Å; L161-Y183 HydrophobicContact CD2-CG 3.69Å; L161-Y183 HydrophobicContact CG-CD1 4.24Å; L161-Y183 HydrophobicContact CG-CD2 3.98Å; L161-Y183 HydrophobicContact CG-CE2 4.26Å; L161-Y183 HydrophobicContact CG-CG 3.98Å; Y169-Y183 HydrophobicContact CE1-CE1 4.44Å; L179-Y183 WeakPolarHBondContact O-CB 3.15Å; L179-Y183 PolarHBondContact O-N 3.31Å; M180-Y183 HydrophobicContact CE-CD1 4.43Å; A181-Y183 VanDerWaalsContact C-N 3.34Å; Y183-K185 PolarHBondContact O-N 3.01Å; Y183-A186 WeakPolarHBondContact O-CB 3.09Å; Y183-A186 PolarHBondContact O-N 2.86Å; Y183-A186 VanDerWaalsContact O-N 3.13Å; Y183-M187 HydrophobicContact CD1-SD 4.38Å; Y183-M187 HydrophobicContact CE1-CG 4.28Å; Y183-M187 HydrophobicContact CE1-SD 3.97Å; Y183-M187 WeakPolarHBondContact O-CG 3.39Å; Y183-M187 PolarHBondContact O-N 2.81Å; Y183-L215 HydrophobicContact CD1-CD1 3.91Å; Y183-L215 HydrophobicContact CE1-CD1 3.88Å; Y183-E218 PolarHBondContact OH-OE1 3.01Å; Y183-E218 PolarHBondContact OH-OE2 3Å; Y183-W295 HydrophobicContact CE2-CZ2 4.15Å; Y183-W295 PolarHBondContact OH-NE1 3.49Å; Y183-L352 HydrophobicContact CD2-CD1 4.46Å
184	F	94.9	Very high	89.4	Confident	30 Å²	30	34.8 Å²	34.8	13%	0.132	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-29.2	174.2	-172.6	-112.2	0	0	0	112.7	M180 A181 D182 M187 Q188 I208 L211 K212 L215	M180-F184 WeakPolarHBondContact O-CB 3.23Å; M180-F184 PolarHBondContact O-N 3.27Å; A181-F184 PolarHBondContact O-N 3.05Å; D182-F184 VanDerWaalsContact C-N 3.32Å; D182-F184 PolarHBondContact O-N 3.14Å; F184-M187 HydrophobicContact CD2-SD 4.07Å; F184-Q188 VanDerWaalsContact CD1-NE2 3.33Å; F184-Q188 HydrophobicContact CE1-CG 4.32Å; F184-Q188 HydrophobicContact CZ-CG 4.43Å; F184-Q188 WeakPolarHBondContact O-CG 3.42Å; F184-Q188 PolarHBondContact O-N 3.33Å; F184-Q188 PolarHBondContact O-NE2 3.27Å; F184-I208 HydrophobicContact CE1-CG2 4.42Å; F184-I208 HydrophobicContact CZ-CG2 4.26Å; F184-L211 HydrophobicContact CE2-CB 3.71Å; F184-L211 HydrophobicContact CZ-CB 4.06Å; F184-K212 HydrophobicContact CE1-CG 4.35Å; F184-K212 HydrophobicContact CE2-CG 3.88Å; F184-K212 HydrophobicContact CZ-CD 4.48Å; F184-K212 HydrophobicContact CZ-CG 3.54Å; F184-L215 HydrophobicContact CB-CD2 4.14Å; F184-L215 HydrophobicContact CD2-CB 4.35Å; F184-L215 HydrophobicContact CD2-CD2 3.69Å; F184-L215 HydrophobicContact CG-CD2 4.17Å
185	K	94.5	Very high	90.4	Very high	90 Å²	90	32.9 Å²	32.9	39%	0.391	16%	0.164	S	C	.	.	H	α-helix	trans	-69.5	-42.3	171.8	-172.1	-172.7	157.6	-152	0	111.3	A181 D182 Y183 M187 Q188 E189 Y316	A181-K185 PolarHBondContact O-N 3.45Å; D182-K185 CarbonylContact O-C 3.59Å; D182-K185 WeakPolarHBondContact O-CA 2.93Å; D182-K185 VanDerWaalsContact O-CB 3.27Å; D182-K185 WeakPolarHBondContact O-CB 3.29Å; D182-K185 PolarHBondContact O-N 3.13Å; Y183-K185 PolarHBondContact O-N 3.01Å; K185-M187 VanDerWaalsContact C-N 3.34Å; K185-M187 PolarHBondContact O-N 3.36Å; K185-Q188 WeakPolarHBondContact O-CB 3.22Å; K185-Q188 PolarHBondContact O-N 2.91Å; K185-Q188 VanDerWaalsContact O-N 3.1Å; K185-E189 WeakPolarHBondContact CE-OE1 3.23Å; K185-E189 PolarHBondContact O-N 3.15Å; K185-Y316 WeakPolarHBondContact CE-OH 3.49Å; K185-Y316 WeakPolarHBondContact CG-OH 3.37Å
186	A	93	Very high	91.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.5	-48	172.3	0	0	0	0	0	111.1	D182 Y183 Q188 E189 F190 Y316	D182-A186 PolarHBondContact O-N 3Å; Y183-A186 WeakPolarHBondContact O-CB 3.09Å; Y183-A186 PolarHBondContact O-N 2.86Å; Y183-A186 VanDerWaalsContact O-N 3.13Å; A186-Q188 VanDerWaalsContact C-N 3.26Å; A186-Q188 PolarHBondContact O-N 2.85Å; A186-E189 PolarHBondContact O-N 2.67Å; A186-E189 VanDerWaalsContact O-N 3.16Å; A186-F190 WeakPolarHBondContact O-CB 3.27Å; A186-F190 VanDerWaalsContact O-CD2 3.28Å; A186-F190 WeakPolarHBondContact O-CD2 3.12Å; A186-F190 PolarHBondContact O-N 3.44Å; A186-Y316 HydrophobicContact CB-CD1 3.56Å; A186-Y316 HydrophobicContact CB-CD2 3.78Å; A186-Y316 HydrophobicContact CB-CE1 3.63Å; A186-Y316 HydrophobicContact CB-CE2 3.87Å; A186-Y316 HydrophobicContact CB-CG 3.63Å
187	M	95.9	Very high	92.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-53.1	-44.2	175.1	-67	-179.1	88.4	0	0	111.9	Y183 F184 K185 N191 L214 L215 W295	Y183-M187 HydrophobicContact CD1-SD 4.38Å; Y183-M187 HydrophobicContact CE1-CG 4.28Å; Y183-M187 HydrophobicContact CE1-SD 3.97Å; Y183-M187 WeakPolarHBondContact O-CG 3.39Å; Y183-M187 PolarHBondContact O-N 2.81Å; F184-M187 HydrophobicContact CD2-SD 4.07Å; K185-M187 VanDerWaalsContact C-N 3.34Å; K185-M187 PolarHBondContact O-N 3.36Å; M187-N191 VanDerWaalsContact O-CB 3.24Å; M187-N191 WeakPolarHBondContact O-CB 3.38Å; M187-N191 PolarHBondContact O-N 3.21Å; M187-N191 VanDerWaalsContact O-N 3.17Å; M187-N191 PolarHBondContact O-ND2 3.34Å; M187-L214 HydrophobicContact CE-CB 4.17Å; M187-L214 HydrophobicContact CE-CD2 3.54Å; M187-L214 HydrophobicContact CE-CG 3.66Å; M187-L215 HydrophobicContact CE-CB 4.38Å; M187-L215 HydrophobicContact SD-CB 4.04Å; M187-L215 HydrophobicContact SD-CD1 4.1Å; M187-W295 HydrophobicContact CB-CH2 4.23Å; M187-W295 HydrophobicContact CB-CZ2 4.34Å; M187-W295 HydrophobicContact CE-CD2 4.47Å; M187-W295 HydrophobicContact CG-CH2 3.9Å; M187-W295 HydrophobicContact CG-CZ2 3.51Å
188	Q	97.7	Very high	93	Very high	48 Å²	48	33.2 Å²	33.2	22%	0.224	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-46.9	178.7	-70.8	169.3	91.4	0	0	112.2	F184 K185 A186 T192 L203 L211	F184-Q188 VanDerWaalsContact CD1-NE2 3.33Å; F184-Q188 HydrophobicContact CE1-CG 4.32Å; F184-Q188 HydrophobicContact CZ-CG 4.43Å; F184-Q188 WeakPolarHBondContact O-CG 3.42Å; F184-Q188 PolarHBondContact O-N 3.33Å; F184-Q188 PolarHBondContact O-NE2 3.27Å; K185-Q188 WeakPolarHBondContact O-CB 3.22Å; K185-Q188 PolarHBondContact O-N 2.91Å; K185-Q188 VanDerWaalsContact O-N 3.1Å; A186-Q188 VanDerWaalsContact C-N 3.26Å; A186-Q188 PolarHBondContact O-N 2.85Å; Q188-T192 VanDerWaalsContact O-CB 3.25Å; Q188-T192 WeakPolarHBondContact O-CB 3.14Å; Q188-T192 PolarHBondContact O-N 2.89Å; Q188-T192 PolarHBondContact O-OG1 3.48Å; Q188-L203 HydrophobicContact CB-CD1 3.88Å; Q188-L203 HydrophobicContact CG-CD1 3.94Å; Q188-L211 HydrophobicContact CB-CD1 4.15Å; Q188-L211 HydrophobicContact CG-CD1 3.58Å
189	E	96.6	Very high	93.5	Very high	56 Å²	56	33 Å²	33	26%	0.262	18%	0.175	S	C	.	.	H	α-helix	trans	-69.1	-43.8	-176	-71.5	178.7	173.7	0	0	111.7	K185 A186 N191 T192 L193 L199 L312 Y316	K185-E189 WeakPolarHBondContact CE-OE1 3.23Å; K185-E189 PolarHBondContact O-N 3.15Å; A186-E189 PolarHBondContact O-N 2.67Å; A186-E189 VanDerWaalsContact O-N 3.16Å; E189-N191 PolarHBondContact O-N 2.84Å; E189-T192 WeakPolarHBondContact O-CB 3.43Å; E189-T192 PolarHBondContact O-N 3.25Å; E189-L193 WeakPolarHBondContact O-CB 3.42Å; E189-L193 PolarHBondContact O-N 3.01Å; E189-L199 HydrophobicContact CB-CD2 3.87Å; E189-L199 HydrophobicContact CG-CD2 4.35Å; E189-L199 VanDerWaalsContact O-CD2 3.27Å; E189-L199 WeakPolarHBondContact O-CD2 3.16Å; E189-L312 HydrophobicContact CB-CD1 3.94Å; E189-L312 HydrophobicContact CB-CD2 4.19Å; E189-Y316 VanDerWaalsContact CD-OH 3.23Å; E189-Y316 WeakPolarHBondContact OE2-CE2 3.22Å; E189-Y316 PolarHBondContact OE2-OH 3.44Å
190	F	96.7	Very high	94.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-48.7	175.1	-88.7	-114.4	0	0	0	111.6	A186 T192 L193 W194 W295 L299 F302 L312 Y313 Y316 F317	A186-F190 WeakPolarHBondContact O-CB 3.27Å; A186-F190 VanDerWaalsContact O-CD2 3.28Å; A186-F190 WeakPolarHBondContact O-CD2 3.12Å; A186-F190 PolarHBondContact O-N 3.44Å; F190-T192 VanDerWaalsContact C-N 3.31Å; F190-T192 PolarHBondContact O-N 2.84Å; F190-L193 PolarHBondContact O-N 3.42Å; F190-W194 WeakPolarHBondContact O-CB 3.47Å; F190-W194 PolarHBondContact O-N 3.31Å; F190-W295 HydrophobicContact CB-CH2 4.16Å; F190-W295 HydrophobicContact CB-CZ3 3.66Å; F190-W295 HydrophobicContact CD1-CZ3 4.27Å; F190-W295 HydrophobicContact CG-CH2 4.23Å; F190-W295 HydrophobicContact CG-CZ3 4.08Å; F190-L299 HydrophobicContact CE1-CD1 4.18Å; F190-L299 HydrophobicContact CZ-CD1 4.23Å; F190-F302 HydrophobicContact CB-CE2 4.12Å; F190-F302 HydrophobicContact CB-CZ 4.43Å; F190-F302 HydrophobicContact CD1-CB 4.42Å; F190-F302 HydrophobicContact CD1-CD1 4.25Å; F190-F302 AromaticContact CD1-CD2 3.28Å; F190-F302 HydrophobicContact CD1-CD2 3.28Å; F190-F302 HydrophobicContact CD1-CE1 4.35Å; F190-F302 AromaticContact CD1-CE2 3.38Å; F190-F302 HydrophobicContact CD1-CE2 3.38Å; F190-F302 AromaticContact CD1-CG 3.74Å; F190-F302 HydrophobicContact CD1-CG 3.74Å; F190-F302 AromaticContact CD1-CZ 3.93Å; F190-F302 HydrophobicContact CD1-CZ 3.93Å; F190-F302 HydrophobicContact CE1-CB 3.77Å; F190-F302 HydrophobicContact CE1-CD1 4.41Å; F190-F302 AromaticContact CE1-CD2 3.34Å; F190-F302 HydrophobicContact CE1-CD2 3.34Å; F190-F302 AromaticContact CE1-CE2 3.96Å; F190-F302 HydrophobicContact CE1-CE2 3.96Å; F190-F302 AromaticContact CE1-CG 3.59Å; F190-F302 HydrophobicContact CE1-CG 3.59Å; F190-F302 HydrophobicContact CG-CD2 4.04Å; F190-F302 AromaticContact CG-CE2 3.82Å; F190-F302 HydrophobicContact CG-CE2 3.82Å; F190-F302 HydrophobicContact CG-CZ 4.47Å; F190-F302 HydrophobicContact CZ-CD2 4.12Å; F190-L312 HydrophobicContact CB-CD2 4.49Å; F190-L312 HydrophobicContact CD2-CD2 3.63Å; F190-L312 HydrophobicContact CD2-CG 3.81Å; F190-L312 HydrophobicContact CE2-CD2 4.07Å; F190-L312 HydrophobicContact CE2-CG 3.74Å; F190-L312 HydrophobicContact CG-CD2 4.06Å; F190-Y313 HydrophobicContact CZ-CD2 4.32Å; F190-Y316 HydrophobicContact CE2-CD2 4.15Å; F190-F317 AromaticContact CE2-CE2 3.9Å; F190-F317 HydrophobicContact CE2-CE2 3.9Å; F190-F317 HydrophobicContact CZ-CD2 4.17Å; F190-F317 AromaticContact CZ-CE2 3.7Å; F190-F317 HydrophobicContact CZ-CE2 3.7Å
191	N	98	Very high	94.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-35.3	179.7	-85.6	-93.3	0	0	0	112.1	P103 M104 M187 E189 K195 L211	P103-N191 WeakPolarHBondContact CB-OD1 2.83Å; P103-N191 WeakPolarHBondContact CD-OD1 3.42Å; P103-N191 VanDerWaalsContact CG-OD1 3.28Å; P103-N191 WeakPolarHBondContact CG-OD1 3.32Å; M104-N191 HydrophobicContact CE-CB 3.68Å; M104-N191 HydrophobicContact CG-CB 4.29Å; M104-N191 HydrophobicContact SD-CB 3.95Å; M187-N191 VanDerWaalsContact O-CB 3.24Å; M187-N191 WeakPolarHBondContact O-CB 3.38Å; M187-N191 PolarHBondContact O-N 3.21Å; M187-N191 VanDerWaalsContact O-N 3.17Å; M187-N191 PolarHBondContact O-ND2 3.34Å; E189-N191 PolarHBondContact O-N 2.84Å; N191-K195 VanDerWaalsContact O-CB 3.22Å; N191-K195 WeakPolarHBondContact O-CB 3.49Å; N191-K195 PolarHBondContact O-N 2.96Å; N191-L211 HydrophobicContact CB-CD1 4.48Å; N191-L211 HydrophobicContact CB-CD2 4.25Å
192	T	97.7	Very high	94.7	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-49.5	174.6	-62	0	0	0	0	110.6	Q188 E189 F190 W194 K195 Y196 H201 L203	Q188-T192 VanDerWaalsContact O-CB 3.25Å; Q188-T192 WeakPolarHBondContact O-CB 3.14Å; Q188-T192 PolarHBondContact O-N 2.89Å; Q188-T192 PolarHBondContact O-OG1 3.48Å; E189-T192 WeakPolarHBondContact O-CB 3.43Å; E189-T192 PolarHBondContact O-N 3.25Å; F190-T192 VanDerWaalsContact C-N 3.31Å; F190-T192 PolarHBondContact O-N 2.84Å; T192-W194 PolarHBondContact O-N 3.49Å; T192-K195 PolarHBondContact O-N 3.25Å; T192-Y196 HydrophobicContact CG2-CD2 4.09Å; T192-Y196 WeakPolarHBondContact O-CB 3.44Å; T192-Y196 WeakPolarHBondContact O-CD2 3.31Å; T192-Y196 PolarHBondContact O-N 2.96Å; T192-H201 HydrophobicContact CG2-CB 4.07Å; T192-H201 VanDerWaalsContact CG2-O 3.24Å; T192-H201 WeakPolarHBondContact CG2-O 3.33Å; T192-L203 WeakPolarHBondContact OG1-CD2 3.33Å; T192-L203 WeakPolarHBondContact OG1-CG 3.39Å
193	L	96.4	Very high	95.2	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-43.2	-179.8	-174.4	57.4	0	0	0	111.3	Q86 E189 F190 G197 L199 F302 D308 Y309 L312	Q86-L193 PolarHBondContact NE2-O 3.12Å; E189-L193 WeakPolarHBondContact O-CB 3.42Å; E189-L193 PolarHBondContact O-N 3.01Å; F190-L193 PolarHBondContact O-N 3.42Å; L193-G197 WeakPolarHBondContact O-CA 3.07Å; L193-G197 PolarHBondContact O-N 3.49Å; L193-L199 HydrophobicContact CB-CD2 3.9Å; L193-L199 HydrophobicContact CB-CG 4.42Å; L193-L199 HydrophobicContact CD1-CG 4.42Å; L193-F302 HydrophobicContact CB-CE2 4.48Å; L193-F302 HydrophobicContact CD2-CE2 4.13Å; L193-D308 HydrophobicContact CD2-CB 4.49Å; L193-D308 WeakPolarHBondContact CD2-O 3.39Å; L193-Y309 HydrophobicContact CD1-CE1 4.47Å; L193-Y309 HydrophobicContact CD2-CD1 3.76Å; L193-Y309 HydrophobicContact CD2-CE1 3.98Å; L193-Y309 HydrophobicContact CD2-CG 4.06Å; L193-Y309 HydrophobicContact CG-CD1 3.98Å; L193-Y309 HydrophobicContact CG-CE1 3.66Å; L193-L312 HydrophobicContact CB-CD2 4.3Å; L193-L312 HydrophobicContact CD2-CB 4.47Å; L193-L312 HydrophobicContact CD2-CD2 3.89Å
194	W	97.3	Very high	95.5	Very high	12 Å²	12	46.1 Å²	46.1	5%	0.045	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-51.8	175.8	-178	-116.2	0	0	0	112.3	Q86 L89 I90 M93 H100 F190 T192 L298 F302	Q86-W194 HydrophobicContact CB-CH2 4.44Å; Q86-W194 HydrophobicContact CB-CZ3 3.88Å; Q86-W194 HydrophobicContact CG-CE3 4.22Å; Q86-W194 HydrophobicContact CG-CZ3 3.96Å; Q86-W194 PolarHBondContact NE2-O 3.18Å; L89-W194 HydrophobicContact CB-CH2 3.96Å; L89-W194 HydrophobicContact CB-CZ3 3.99Å; L89-W194 HydrophobicContact CD2-CE3 4.22Å; L89-W194 HydrophobicContact CD2-CH2 3.99Å; L89-W194 HydrophobicContact CD2-CZ3 3.63Å; L89-W194 HydrophobicContact CG-CH2 3.76Å; L89-W194 HydrophobicContact CG-CZ3 3.88Å; I90-W194 HydrophobicContact CG1-CH2 3.67Å; I90-W194 HydrophobicContact CG1-CZ2 4.09Å; M93-W194 HydrophobicContact SD-CH2 3.93Å; M93-W194 HydrophobicContact SD-CZ2 3.39Å; M93-W194 WeakPolarHBondContact SD-CZ2 3.3Å; H100-W194 HydrophobicContact CB-CZ2 4.25Å; H100-W194 PolarHBondContact O-NE1 2.96Å; H100-W194 VanDerWaalsContact O-NE1 3.12Å; F190-W194 WeakPolarHBondContact O-CB 3.47Å; F190-W194 PolarHBondContact O-N 3.31Å; T192-W194 PolarHBondContact O-N 3.49Å; W194-L298 HydrophobicContact CB-CD1 4.05Å; W194-L298 HydrophobicContact CB-CD2 4.48Å; W194-L298 HydrophobicContact CD2-CD2 3.58Å; W194-L298 HydrophobicContact CE3-CD2 3.96Å; W194-L298 HydrophobicContact CG-CD1 3.87Å; W194-L298 HydrophobicContact CG-CD2 3.81Å; W194-L298 HydrophobicContact CZ2-CD2 4.28Å; W194-L298 HydrophobicContact CZ3-CD2 4.45Å; W194-F302 HydrophobicContact CB-CZ 4.18Å; W194-F302 HydrophobicContact CE3-CE1 4.32Å
195	K	96.3	Very high	95.6	Very high	61 Å²	61	52.8 Å²	52.8	27%	0.265	28%	0.28	S	S	.	.	H	α-helix	trans	-71.2	-40.1	-174.1	-178.7	172.8	177.8	171.9	0	113.4	M104 D105 N191 T192 E207	M104-K195 HydrophobicContact CE-CB 4.36Å; M104-K195 HydrophobicContact CE-CD 3.79Å; D105-K195 WeakPolarHBondContact OD1-CE 3.36Å; D105-K195 IonicContact OD1-NZ 3.83Å; D105-K195 PolarHBondContact OD1-NZ 3.48Å; D105-K195 WeakPolarHBondContact OD2-CD 3.37Å; D105-K195 WeakPolarHBondContact OD2-CE 3.42Å; D105-K195 IonicContact OD2-NZ 2.88Å; N191-K195 VanDerWaalsContact O-CB 3.22Å; N191-K195 WeakPolarHBondContact O-CB 3.49Å; N191-K195 PolarHBondContact O-N 2.96Å; T192-K195 PolarHBondContact O-N 3.25Å; K195-E207 WeakPolarHBondContact CE-OE1 3.32Å; K195-E207 IonicContact NZ-OE1 3.38Å; K195-E207 PolarHBondContact NZ-OE1 3.06Å
196	Y	95.8	Very high	95.8	Very high	69 Å²	69	53.6 Å²	53.6	27%	0.271	29%	0.288	S	S	.	.	H	α-helix	trans	-110.3	-9.6	-169.4	-61.6	-68.5	0	0	0	114	T192 N198 H201 L203 E207	T192-Y196 HydrophobicContact CG2-CD2 4.09Å; T192-Y196 WeakPolarHBondContact O-CB 3.44Å; T192-Y196 WeakPolarHBondContact O-CD2 3.31Å; T192-Y196 PolarHBondContact O-N 2.96Å; Y196-N198 PolarHBondContact O-N 2.81Å; Y196-N198 PolarHBondContact O-ND2 2.72Å; Y196-N198 VanDerWaalsContact O-ND2 3.09Å; Y196-H201 HydrophobicContact CD2-CB 3.79Å; Y196-H201 AromaticContact CD2-CD2 3.63Å; Y196-H201 AromaticContact CD2-CG 3.7Å; Y196-H201 AromaticContact CE1-CD2 3.91Å; Y196-H201 AromaticContact CE1-CE1 3.79Å; Y196-H201 AromaticContact CE1-NE2 3.72Å; Y196-H201 HydrophobicContact CE2-CB 4.31Å; Y196-H201 AromaticContact CE2-CD2 3.21Å; Y196-H201 WeakPolarHBondContact CE2-CD2 3.14Å; Y196-H201 AromaticContact CE2-CG 3.77Å; Y196-H201 AromaticContact CE2-NE2 3.73Å; Y196-H201 HydrophobicContact CG-CB 3.92Å; Y196-H201 AromaticContact CG-CG 3.84Å; Y196-H201 AromaticContact CZ-CD2 3.38Å; Y196-H201 AromaticContact CZ-CE1 3.9Å; Y196-H201 AromaticContact CZ-CG 3.98Å; Y196-H201 AromaticContact CZ-NE2 3.34Å; Y196-H201 VanDerWaalsContact CZ-NE2 3.34Å; Y196-H201 PolarHBondContact OH-NE2 2.58Å; Y196-L203 HydrophobicContact CE2-CD2 4.04Å; Y196-E207 PolarHBondContact OH-OE1 3.24Å
197	G	92.3	Very high	96.1	Very high	38 Å²	38	53.7 Å²	53.7	39%	0.392	29%	0.289	S	S	.	.	S	Bend	trans	69	11.7	-177.5	0	0	0	0	0	114.1	L193	L193-G197 WeakPolarHBondContact O-CA 3.07Å; L193-G197 PolarHBondContact O-N 3.49Å
198	N	91.2	Very high	96.2	Very high	61 Å²	61	56 Å²	56	33%	0.326	30%	0.3	S	S	.	.	S	Bend	trans	-161.6	152.5	173.8	68.3	89.9	0	0	0	111.3	Y196 T200	Y196-N198 PolarHBondContact O-N 2.81Å; Y196-N198 PolarHBondContact O-ND2 2.72Å; Y196-N198 VanDerWaalsContact O-ND2 3.09Å; N198-T200 VanDerWaalsContact C-N 3.32Å; N198-T200 PolarHBondContact O-N 3.18Å; N198-T200 WeakPolarHBondContact OD1-CB 3.35Å; N198-T200 PolarHBondContact OD1-N 3.26Å; N198-T200 VanDerWaalsContact OD1-N 3.08Å; N198-T200 PolarHBondContact OD1-OG1 3.23Å
199	L	93.4	Very high	96.2	Very high	85 Å²	85	59.3 Å²	59.3	45%	0.445	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-2	-179.9	-68	172.7	0	0	0	114.7	E189 L193 H201 L312	E189-L199 HydrophobicContact CB-CD2 3.87Å; E189-L199 HydrophobicContact CG-CD2 4.35Å; E189-L199 VanDerWaalsContact O-CD2 3.27Å; E189-L199 WeakPolarHBondContact O-CD2 3.16Å; L193-L199 HydrophobicContact CB-CD2 3.9Å; L193-L199 HydrophobicContact CB-CG 4.42Å; L193-L199 HydrophobicContact CD1-CG 4.42Å; L199-H201 VanDerWaalsContact C-N 3.26Å; L199-H201 PolarHBondContact O-N 3.48Å; L199-L312 HydrophobicContact CD1-CD1 4.35Å; L199-L312 HydrophobicContact CD2-CD2 4.23Å
200	T	93.9	Very high	96.3	Very high	126 Å²	126	56.6 Å²	56.6	77%	0.773	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.8	-176.3	71.7	0	0	0	0	113.6	N198	N198-T200 VanDerWaalsContact C-N 3.32Å; N198-T200 PolarHBondContact O-N 3.18Å; N198-T200 WeakPolarHBondContact OD1-CB 3.35Å; N198-T200 PolarHBondContact OD1-N 3.26Å; N198-T200 VanDerWaalsContact OD1-N 3.08Å; N198-T200 PolarHBondContact OD1-OG1 3.23Å
201	H	95	Very high	96.4	Very high	77 Å²	77	56.6 Å²	56.6	36%	0.356	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-79.7	125.6	178.1	-163.8	91.9	0	0	0	110.7	T192 Y196 L199	T192-H201 HydrophobicContact CG2-CB 4.07Å; T192-H201 VanDerWaalsContact CG2-O 3.24Å; T192-H201 WeakPolarHBondContact CG2-O 3.33Å; Y196-H201 HydrophobicContact CD2-CB 3.79Å; Y196-H201 AromaticContact CD2-CD2 3.63Å; Y196-H201 AromaticContact CD2-CG 3.7Å; Y196-H201 AromaticContact CE1-CD2 3.91Å; Y196-H201 AromaticContact CE1-CE1 3.79Å; Y196-H201 AromaticContact CE1-NE2 3.72Å; Y196-H201 HydrophobicContact CE2-CB 4.31Å; Y196-H201 AromaticContact CE2-CD2 3.21Å; Y196-H201 WeakPolarHBondContact CE2-CD2 3.14Å; Y196-H201 AromaticContact CE2-CG 3.77Å; Y196-H201 AromaticContact CE2-NE2 3.73Å; Y196-H201 HydrophobicContact CG-CB 3.92Å; Y196-H201 AromaticContact CG-CG 3.84Å; Y196-H201 AromaticContact CZ-CD2 3.38Å; Y196-H201 AromaticContact CZ-CE1 3.9Å; Y196-H201 AromaticContact CZ-CG 3.98Å; Y196-H201 AromaticContact CZ-NE2 3.34Å; Y196-H201 VanDerWaalsContact CZ-NE2 3.34Å; Y196-H201 PolarHBondContact OH-NE2 2.58Å; L199-H201 VanDerWaalsContact C-N 3.26Å; L199-H201 PolarHBondContact O-N 3.48Å
202	S	94.4	Very high	96.4	Very high	104 Å²	104	62.1 Å²	62.1	73%	0.727	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-86	128.2	171.6	-53.7	0	0	0	0	110.4
203	L	97.2	Very high	96.5	Very high	23 Å²	23	64.2 Å²	64.2	12%	0.12	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-63.1	143.5	174.7	-60.9	-179.1	0	0	0	111.3	M104 Q188 T192 Y196 E207 I208 L211	M104-L203 HydrophobicContact CE-CD2 3.79Å; M104-L203 HydrophobicContact SD-CD1 3.85Å; M104-L203 HydrophobicContact SD-CD2 3.82Å; M104-L203 HydrophobicContact SD-CG 4.46Å; Q188-L203 HydrophobicContact CB-CD1 3.88Å; Q188-L203 HydrophobicContact CG-CD1 3.94Å; T192-L203 WeakPolarHBondContact OG1-CD2 3.33Å; T192-L203 WeakPolarHBondContact OG1-CG 3.39Å; Y196-L203 HydrophobicContact CE2-CD2 4.04Å; L203-E207 WeakPolarHBondContact CA-OE2 3Å; L203-E207 HydrophobicContact CB-CB 4.05Å; L203-E207 HydrophobicContact CD2-CB 4.25Å; L203-I208 HydrophobicContact CB-CD1 4.42Å; L203-I208 HydrophobicContact CB-CG1 3.89Å; L203-L211 HydrophobicContact CD1-CD1 3.73Å
204	N	97.5	Very high	96.6	Very high	77 Å²	77	64.1 Å²	64.1	41%	0.412	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-84.1	172.5	174.3	70.9	62.9	0	0	0	112.1	D206 E207 I208	N204-D206 VanDerWaalsContact C-N 3.29Å; N204-D206 PolarHBondContact O-N 2.97Å; N204-D206 WeakPolarHBondContact OD1-CA 3.44Å; N204-D206 WeakPolarHBondContact OD1-CB 3.34Å; N204-D206 PolarHBondContact OD1-N 2.84Å; N204-E207 PolarHBondContact N-OE2 3.02Å; N204-E207 PolarHBondContact ND2-OE2 3.13Å; N204-E207 PolarHBondContact O-N 3.44Å; N204-E207 PolarHBondContact OD1-N 3.03Å; N204-E207 VanDerWaalsContact OD1-N 3.09Å; N204-I208 WeakPolarHBondContact O-CG1 3.49Å; N204-I208 PolarHBondContact O-N 3.28Å
205	E	98	Very high	96.5	Very high	170 Å²	170	64.9 Å²	64.9	79%	0.794	34%	0.339	S	S	*	.	H	α-helix	trans	-59.7	-36	-176.6	-67.9	-178.3	173.6	0	0	113.3	F209	E205-F209 VanDerWaalsContact O-CB 3.32Å; E205-F209 WeakPolarHBondContact O-CB 3.36Å; E205-F209 PolarHBondContact O-N 3.32Å
206	D	98.3	Very high	96.6	Very high	108 Å²	108	67.8 Å²	67.8	58%	0.578	35%	0.352	S	S	*	.	H	α-helix	trans	-72	-38.9	179.5	-63.8	-33	0	0	0	111	L108 N204 F209 A210	L108-D206 HydrophobicContact CD2-CB 3.81Å; N204-D206 VanDerWaalsContact C-N 3.29Å; N204-D206 PolarHBondContact O-N 2.97Å; N204-D206 WeakPolarHBondContact OD1-CA 3.44Å; N204-D206 WeakPolarHBondContact OD1-CB 3.34Å; N204-D206 PolarHBondContact OD1-N 2.84Å; D206-F209 WeakPolarHBondContact O-CB 3.33Å; D206-F209 PolarHBondContact O-N 2.68Å; D206-A210 PolarHBondContact O-N 3.41Å
207	E	98.4	Very high	96.7	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.009	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-44.8	175.5	-74.5	172.2	145.1	0	0	112.1	M104 L108 K195 Y196 L203 N204 F209 A210 L211	M104-E207 HydrophobicContact SD-CB 3.82Å; M104-E207 HydrophobicContact SD-CG 4.22Å; L108-E207 HydrophobicContact CD1-CG 3.89Å; K195-E207 WeakPolarHBondContact CE-OE1 3.32Å; K195-E207 IonicContact NZ-OE1 3.38Å; K195-E207 PolarHBondContact NZ-OE1 3.06Å; Y196-E207 PolarHBondContact OH-OE1 3.24Å; L203-E207 WeakPolarHBondContact CA-OE2 3Å; L203-E207 HydrophobicContact CB-CB 4.05Å; L203-E207 HydrophobicContact CD2-CB 4.25Å; N204-E207 PolarHBondContact N-OE2 3.02Å; N204-E207 PolarHBondContact ND2-OE2 3.13Å; N204-E207 PolarHBondContact O-N 3.44Å; N204-E207 PolarHBondContact OD1-N 3.03Å; N204-E207 VanDerWaalsContact OD1-N 3.09Å; E207-F209 VanDerWaalsContact C-N 3.28Å; E207-F209 PolarHBondContact O-N 3.47Å; E207-A210 WeakPolarHBondContact O-CB 3.26Å; E207-A210 PolarHBondContact O-N 2.85Å; E207-L211 PolarHBondContact O-N 2.66Å; E207-L211 VanDerWaalsContact O-N 3.11Å
208	I	98.4	Very high	96.8	Very high	47 Å²	47	63 Å²	63	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-39.8	174.2	-65.9	167.7	0	0	0	110.2	F184 L203 N204 L211 K212	F184-I208 HydrophobicContact CE1-CG2 4.42Å; F184-I208 HydrophobicContact CZ-CG2 4.26Å; L203-I208 HydrophobicContact CB-CD1 4.42Å; L203-I208 HydrophobicContact CB-CG1 3.89Å; N204-I208 WeakPolarHBondContact O-CG1 3.49Å; N204-I208 PolarHBondContact O-N 3.28Å; I208-L211 PolarHBondContact O-N 2.97Å; I208-K212 HydrophobicContact CG2-CD 4.41Å; I208-K212 WeakPolarHBondContact O-CG 3.2Å; I208-K212 PolarHBondContact O-N 2.79Å
209	F	98.4	Very high	97	Very high	118 Å²	118	61.7 Å²	61.7	52%	0.518	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-42.8	175.4	178.2	-94.8	0	0	0	111.9	E205 D206 E207 L211 K212 E213	E205-F209 VanDerWaalsContact O-CB 3.32Å; E205-F209 WeakPolarHBondContact O-CB 3.36Å; E205-F209 PolarHBondContact O-N 3.32Å; D206-F209 WeakPolarHBondContact O-CB 3.33Å; D206-F209 PolarHBondContact O-N 2.68Å; E207-F209 VanDerWaalsContact C-N 3.28Å; E207-F209 PolarHBondContact O-N 3.47Å; F209-L211 PolarHBondContact O-N 3.37Å; F209-K212 WeakPolarHBondContact O-CB 3.39Å; F209-K212 PolarHBondContact O-N 3.13Å; F209-K212 VanDerWaalsContact O-N 3.16Å; F209-E213 HydrophobicContact CD1-CG 4.27Å; F209-E213 HydrophobicContact CE1-CG 3.69Å; F209-E213 HydrophobicContact CE2-CG 4.39Å; F209-E213 HydrophobicContact CZ-CG 3.75Å; F209-E213 PolarHBondContact O-N 3.32Å
210	A	98.7	Very high	97.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-43.8	176.5	0	0	0	0	0	112.3	M104 I107 L108 D206 E207 K212 E213 L214	M104-A210 HydrophobicContact CB-CB 4.39Å; I107-A210 HydrophobicContact CB-CB 4Å; I107-A210 HydrophobicContact CD1-CB 4.32Å; I107-A210 VanDerWaalsContact CD1-O 3.28Å; I107-A210 WeakPolarHBondContact CD1-O 3.19Å; I107-A210 HydrophobicContact CG2-CB 3.91Å; L108-A210 HydrophobicContact CD2-CB 4.3Å; L108-A210 HydrophobicContact CG-CB 4.11Å; D206-A210 PolarHBondContact O-N 3.41Å; E207-A210 WeakPolarHBondContact O-CB 3.26Å; E207-A210 PolarHBondContact O-N 2.85Å; A210-K212 VanDerWaalsContact C-N 3.31Å; A210-K212 PolarHBondContact O-N 3Å; A210-E213 PolarHBondContact O-N 3.28Å; A210-L214 PolarHBondContact O-N 3.04Å; A210-L214 VanDerWaalsContact O-N 3.08Å
211	L	98.6	Very high	97.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-33.8	175.6	-66.1	177.9	0	0	0	112.7	M104 F184 Q188 N191 L203 E207 I208 F209 L214 L215	M104-L211 HydrophobicContact CG-CD1 4.25Å; M104-L211 HydrophobicContact CG-CD2 3.53Å; M104-L211 HydrophobicContact CG-CG 3.67Å; M104-L211 HydrophobicContact SD-CD1 3.83Å; M104-L211 HydrophobicContact SD-CD2 4.18Å; M104-L211 HydrophobicContact SD-CG 3.9Å; F184-L211 HydrophobicContact CE2-CB 3.71Å; F184-L211 HydrophobicContact CZ-CB 4.06Å; Q188-L211 HydrophobicContact CB-CD1 4.15Å; Q188-L211 HydrophobicContact CG-CD1 3.58Å; N191-L211 HydrophobicContact CB-CD1 4.48Å; N191-L211 HydrophobicContact CB-CD2 4.25Å; L203-L211 HydrophobicContact CD1-CD1 3.73Å; E207-L211 PolarHBondContact O-N 2.66Å; E207-L211 VanDerWaalsContact O-N 3.11Å; I208-L211 PolarHBondContact O-N 2.97Å; F209-L211 PolarHBondContact O-N 3.37Å; L211-L214 WeakPolarHBondContact O-CB 3.34Å; L211-L214 PolarHBondContact O-N 2.85Å; L211-L215 PolarHBondContact O-N 2.63Å
212	K	98.5	Very high	96.9	Very high	116 Å²	116	50.7 Å²	50.7	50%	0.504	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-39.3	174.5	-74.1	176.8	178.3	-179.3	0	112.5	F184 I208 F209 A210 L214 L215 K216	F184-K212 HydrophobicContact CE1-CG 4.35Å; F184-K212 HydrophobicContact CE2-CG 3.88Å; F184-K212 HydrophobicContact CZ-CD 4.48Å; F184-K212 HydrophobicContact CZ-CG 3.54Å; I208-K212 HydrophobicContact CG2-CD 4.41Å; I208-K212 WeakPolarHBondContact O-CG 3.2Å; I208-K212 PolarHBondContact O-N 2.79Å; F209-K212 WeakPolarHBondContact O-CB 3.39Å; F209-K212 PolarHBondContact O-N 3.13Å; F209-K212 VanDerWaalsContact O-N 3.16Å; A210-K212 VanDerWaalsContact C-N 3.31Å; A210-K212 PolarHBondContact O-N 3Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L215 PolarHBondContact O-N 3.14Å; K212-K216 VanDerWaalsContact O-CB 3.26Å; K212-K216 WeakPolarHBondContact O-CB 3.36Å; K212-K216 PolarHBondContact O-N 2.86Å
213	E	98.4	Very high	96.8	Very high	53 Å²	53	47.9 Å²	47.9	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-36.8	174.8	-69.9	-67.2	104.4	0	0	111.2	F209 A210 F217 I288	F209-E213 HydrophobicContact CD1-CG 4.27Å; F209-E213 HydrophobicContact CE1-CG 3.69Å; F209-E213 HydrophobicContact CE2-CG 4.39Å; F209-E213 HydrophobicContact CZ-CG 3.75Å; F209-E213 PolarHBondContact O-N 3.32Å; A210-E213 PolarHBondContact O-N 3.28Å; E213-F217 PolarHBondContact O-N 3.3Å; E213-I288 HydrophobicContact CB-CD1 4.26Å
214	L	97.8	Very high	96.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-50.7	173.7	179.5	60.4	0	0	0	112.3	P103 I107 M187 A210 L211 K212 K216 F217 E218 Y292 W295	P103-L214 HydrophobicContact CB-CD2 3.98Å; I107-L214 HydrophobicContact CD1-CB 4.17Å; M187-L214 HydrophobicContact CE-CB 4.17Å; M187-L214 HydrophobicContact CE-CD2 3.54Å; M187-L214 HydrophobicContact CE-CG 3.66Å; A210-L214 PolarHBondContact O-N 3.04Å; A210-L214 VanDerWaalsContact O-N 3.08Å; L211-L214 WeakPolarHBondContact O-CB 3.34Å; L211-L214 PolarHBondContact O-N 2.85Å; K212-L214 VanDerWaalsContact C-N 3.28Å; L214-K216 VanDerWaalsContact C-N 3.25Å; L214-K216 PolarHBondContact O-N 3.07Å; L214-F217 WeakPolarHBondContact O-CB 3.28Å; L214-F217 PolarHBondContact O-N 3.32Å; L214-F217 VanDerWaalsContact O-N 3.08Å; L214-E218 PolarHBondContact O-N 2.91Å; L214-E218 VanDerWaalsContact O-N 3.07Å; L214-Y292 HydrophobicContact CD1-CD2 4.07Å; L214-Y292 HydrophobicContact CD1-CG 4.41Å; L214-W295 HydrophobicContact CD2-CB 3.8Å; L214-W295 HydrophobicContact CD2-CG 3.97Å
215	L	97.1	Very high	95.9	Very high	27 Å²	27	43.9 Å²	43.9	14%	0.141	22%	0.221	C	C	.	.	H	α-helix	trans	-59.2	-38.9	177	179.5	61.6	0	0	0	111.7	Y169 M180 Y183 F184 M187 L211 K212 F217 E218 T219	Y169-L215 HydrophobicContact CE1-CD1 4.44Å; M180-L215 HydrophobicContact CE-CD1 3.84Å; Y183-L215 HydrophobicContact CD1-CD1 3.91Å; Y183-L215 HydrophobicContact CE1-CD1 3.88Å; F184-L215 HydrophobicContact CB-CD2 4.14Å; F184-L215 HydrophobicContact CD2-CB 4.35Å; F184-L215 HydrophobicContact CD2-CD2 3.69Å; F184-L215 HydrophobicContact CG-CD2 4.17Å; M187-L215 HydrophobicContact CE-CB 4.38Å; M187-L215 HydrophobicContact SD-CB 4.04Å; M187-L215 HydrophobicContact SD-CD1 4.1Å; L211-L215 PolarHBondContact O-N 2.63Å; K212-L215 PolarHBondContact O-N 3.14Å; L215-F217 VanDerWaalsContact C-N 3.34Å; L215-F217 PolarHBondContact O-N 2.89Å; L215-E218 PolarHBondContact O-N 3.27Å; L215-T219 WeakPolarHBondContact O-CB 3.32Å; L215-T219 PolarHBondContact O-N 3.37Å; L215-T219 PolarHBondContact O-OG1 3.31Å
216	K	97.3	Very high	95.3	Very high	122 Å²	122	36.8 Å²	36.8	53%	0.53	19%	0.189	S	C	.	.	H	α-helix	trans	-63.2	-39.6	176	179.4	-173.5	171.2	-162	0	112.2	K212 L214 T219 T220	K212-K216 VanDerWaalsContact O-CB 3.26Å; K212-K216 WeakPolarHBondContact O-CB 3.36Å; K212-K216 PolarHBondContact O-N 2.86Å; L214-K216 VanDerWaalsContact C-N 3.25Å; L214-K216 PolarHBondContact O-N 3.07Å; K216-T219 PolarHBondContact O-N 3.02Å; K216-T220 WeakPolarHBondContact O-CB 3.17Å; K216-T220 PolarHBondContact O-N 3.23Å; K216-T220 PolarHBondContact O-OG1 3.26Å
217	F	97.5	Very high	94.2	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-47	175.2	175.1	-110.8	0	0	0	110.9	L135 E213 L214 L215 T219 T220 L221 I280 L281 T284 I288 I289 Y292	L135-F217 HydrophobicContact CD2-CE1 4.09Å; L135-F217 HydrophobicContact CD2-CZ 3.95Å; E213-F217 PolarHBondContact O-N 3.3Å; L214-F217 WeakPolarHBondContact O-CB 3.28Å; L214-F217 PolarHBondContact O-N 3.32Å; L214-F217 VanDerWaalsContact O-N 3.08Å; L215-F217 VanDerWaalsContact C-N 3.34Å; L215-F217 PolarHBondContact O-N 2.89Å; F217-T219 PolarHBondContact O-N 3.33Å; F217-T220 WeakPolarHBondContact O-CA 3.29Å; F217-T220 VanDerWaalsContact O-CB 3.3Å; F217-T220 WeakPolarHBondContact O-CB 3.21Å; F217-T220 PolarHBondContact O-N 2.83Å; F217-L221 HydrophobicContact CD1-CD1 4.27Å; F217-L221 HydrophobicContact CE1-CD1 3.74Å; F217-L221 HydrophobicContact CE1-CG 4.34Å; F217-L221 HydrophobicContact CZ-CD1 4.02Å; F217-L221 HydrophobicContact CZ-CD2 4.27Å; F217-L221 HydrophobicContact CZ-CG 4.24Å; F217-L221 PolarHBondContact O-N 3.32Å; F217-I280 HydrophobicContact CD2-CG2 4.45Å; F217-I280 HydrophobicContact CE2-CG2 3.87Å; F217-L281 HydrophobicContact CZ-CD2 4.46Å; F217-T284 HydrophobicContact CD2-CG2 3.54Å; F217-T284 HydrophobicContact CE2-CG2 3.7Å; F217-T284 HydrophobicContact CG-CG2 4.33Å; F217-I288 HydrophobicContact CB-CG2 3.77Å; F217-I288 HydrophobicContact CD1-CG2 4.38Å; F217-I288 HydrophobicContact CG-CG2 3.99Å; F217-I289 HydrophobicContact CE2-CG1 4.38Å; F217-I289 HydrophobicContact CZ-CG1 4.11Å; F217-Y292 HydrophobicContact CD1-CD1 4.43Å; F217-Y292 HydrophobicContact CD1-CD2 4.26Å; F217-Y292 AromaticContact CD1-CG 3.94Å; F217-Y292 HydrophobicContact CD1-CG 3.94Å; F217-Y292 AromaticContact CE1-CD1 3.84Å; F217-Y292 HydrophobicContact CE1-CD1 3.84Å; F217-Y292 HydrophobicContact CE1-CD2 4.46Å; F217-Y292 AromaticContact CE1-CG 3.78Å; F217-Y292 HydrophobicContact CE1-CG 3.78Å
218	E	95.8	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-43	176.6	-167.7	173.6	171.4	0	0	112.6	L159 G160 Y169 Y183 L214 L215 T220 L221 A222 Y292	L159-E218 HydrophobicContact CD2-CG 4.21Å; G160-E218 WeakPolarHBondContact CA-OE1 3.27Å; G160-E218 PolarHBondContact N-OE1 2.78Å; Y169-E218 HydrophobicContact CE1-CG 3.83Å; Y169-E218 PolarHBondContact OH-OE1 3.39Å; Y183-E218 PolarHBondContact OH-OE1 3.01Å; Y183-E218 PolarHBondContact OH-OE2 3Å; L214-E218 PolarHBondContact O-N 2.91Å; L214-E218 VanDerWaalsContact O-N 3.07Å; L215-E218 PolarHBondContact O-N 3.27Å; E218-T220 PolarHBondContact O-N 3.18Å; E218-L221 WeakPolarHBondContact O-CB 3.31Å; E218-L221 PolarHBondContact O-N 3.31Å; E218-L221 VanDerWaalsContact O-N 3.11Å; E218-A222 PolarHBondContact O-N 3.37Å; E218-Y292 HydrophobicContact CB-CE2 4.15Å; E218-Y292 HydrophobicContact CG-CE2 3.84Å
219	T	95.3	Very high	91.4	Very high	34 Å²	34	41.6 Å²	41.6	21%	0.209	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-33.7	172.8	-51	0	0	0	0	111.8	L170 L215 K216 F217 A222 A223	L170-T219 HydrophobicContact CD2-CG2 3.85Å; L215-T219 WeakPolarHBondContact O-CB 3.32Å; L215-T219 PolarHBondContact O-N 3.37Å; L215-T219 PolarHBondContact O-OG1 3.31Å; K216-T219 PolarHBondContact O-N 3.02Å; F217-T219 PolarHBondContact O-N 3.33Å; T219-A222 WeakPolarHBondContact O-CB 3.23Å; T219-A222 PolarHBondContact O-N 2.92Å; T219-A223 PolarHBondContact O-N 2.74Å
220	T	95.3	Very high	89.7	Confident	57 Å²	57	36.8 Å²	36.8	35%	0.35	21%	0.208	S	C	.	.	H	α-helix	trans	-71.3	-37.7	177.2	-55.6	0	0	0	0	111.2	K216 F217 E218 A224 I280	K216-T220 WeakPolarHBondContact O-CB 3.17Å; K216-T220 PolarHBondContact O-N 3.23Å; K216-T220 PolarHBondContact O-OG1 3.26Å; F217-T220 WeakPolarHBondContact O-CA 3.29Å; F217-T220 VanDerWaalsContact O-CB 3.3Å; F217-T220 WeakPolarHBondContact O-CB 3.21Å; F217-T220 PolarHBondContact O-N 2.83Å; E218-T220 PolarHBondContact O-N 3.18Å; T220-A224 WeakPolarHBondContact O-CB 3.33Å; T220-A224 PolarHBondContact O-N 3.09Å; T220-A224 VanDerWaalsContact O-N 3.16Å; T220-I280 HydrophobicContact CG2-CD1 4.47Å; T220-I280 HydrophobicContact CG2-CG1 4.22Å; T220-I280 HydrophobicContact CG2-CG2 4.13Å
221	L	93.5	Very high	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-47.3	171	-66.9	174.6	0	0	0	110.4	L135 P157 L159 F217 E218 A223 A224 S225 I280 Y292	L135-L221 HydrophobicContact CD2-CD1 4.06Å; P157-L221 HydrophobicContact CG-CB 4.22Å; L159-L221 HydrophobicContact CD2-CB 4.17Å; F217-L221 HydrophobicContact CD1-CD1 4.27Å; F217-L221 HydrophobicContact CE1-CD1 3.74Å; F217-L221 HydrophobicContact CE1-CG 4.34Å; F217-L221 HydrophobicContact CZ-CD1 4.02Å; F217-L221 HydrophobicContact CZ-CD2 4.27Å; F217-L221 HydrophobicContact CZ-CG 4.24Å; F217-L221 PolarHBondContact O-N 3.32Å; E218-L221 WeakPolarHBondContact O-CB 3.31Å; E218-L221 PolarHBondContact O-N 3.31Å; E218-L221 VanDerWaalsContact O-N 3.11Å; L221-A223 VanDerWaalsContact C-N 3.35Å; L221-A223 PolarHBondContact O-N 3.16Å; L221-A224 PolarHBondContact O-N 3.2Å; L221-A224 VanDerWaalsContact O-N 3.07Å; L221-S225 PolarHBondContact O-N 3.41Å; L221-S225 PolarHBondContact O-OG 3.15Å; L221-I280 HydrophobicContact CD2-CG2 4.22Å; L221-Y292 HydrophobicContact CD1-CD1 4.41Å; L221-Y292 HydrophobicContact CD1-CE1 3.86Å
222	A	90.8	Very high	86.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-53.5	-51.6	177	0	0	0	0	0	111.6	L159 Y169 E218 T219 A224 S225 L226	L159-A222 HydrophobicContact CD1-CB 3.5Å; Y169-A222 HydrophobicContact CD1-CB 4.46Å; Y169-A222 HydrophobicContact CD2-CB 3.94Å; Y169-A222 HydrophobicContact CG-CB 3.79Å; E218-A222 PolarHBondContact O-N 3.37Å; T219-A222 WeakPolarHBondContact O-CB 3.23Å; T219-A222 PolarHBondContact O-N 2.92Å; A222-A224 VanDerWaalsContact C-N 3.26Å; A222-A224 PolarHBondContact O-N 2.99Å; A222-S225 WeakPolarHBondContact O-CB 3.21Å; A222-S225 PolarHBondContact O-N 3.48Å; A222-S225 VanDerWaalsContact O-N 3.12Å; A222-L226 WeakPolarHBondContact O-CG 3.37Å
223	A	91.6	Very high	84.9	Confident	45 Å²	45	36.7 Å²	36.7	37%	0.372	21%	0.211	S	C	.	.	H	α-helix	trans	-60.5	-31.8	178.4	0	0	0	0	0	114.5	L170 T219 L221 S225	L170-A223 HydrophobicContact CD1-CB 3.92Å; L170-A223 HydrophobicContact CD2-CB 4.07Å; T219-A223 PolarHBondContact O-N 2.74Å; L221-A223 VanDerWaalsContact C-N 3.35Å; L221-A223 PolarHBondContact O-N 3.16Å; A223-S225 VanDerWaalsContact C-N 3.33Å
224	A	90.1	Very high	83.4	Confident	14 Å²	14	35 Å²	35	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-78	-20.2	179.8	0	0	0	0	0	113.5	T220 L221 A222 F273 N276 I280	T220-A224 WeakPolarHBondContact O-CB 3.33Å; T220-A224 PolarHBondContact O-N 3.09Å; T220-A224 VanDerWaalsContact O-N 3.16Å; L221-A224 PolarHBondContact O-N 3.2Å; L221-A224 VanDerWaalsContact O-N 3.07Å; A222-A224 VanDerWaalsContact C-N 3.26Å; A222-A224 PolarHBondContact O-N 2.99Å; A224-F273 HydrophobicContact CB-CD2 4.24Å; A224-F273 HydrophobicContact CB-CE2 4.38Å; A224-N276 HydrophobicContact CB-CB 4.23Å; A224-I280 HydrophobicContact CB-CD1 3.3Å
225	S	87.2	Confident	82.1	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-78.6	-20.6	174.2	-56	0	0	0	0	113.1	T156 H166 L221 A222 A223 E232	T156-S225 WeakPolarHBondContact CB-OG 3.41Å; T156-S225 VanDerWaalsContact CG2-CB 3.4Å; T156-S225 WeakPolarHBondContact CG2-OG 3.04Å; H166-S225 WeakPolarHBondContact CD2-CB 3.08Å; H166-S225 PolarHBondContact CD2-OG 3.44Å; H166-S225 PolarHBondContact NE2-OG 3.05Å; H166-S225 VanDerWaalsContact NE2-OG 3.16Å; L221-S225 PolarHBondContact O-N 3.41Å; L221-S225 PolarHBondContact O-OG 3.15Å; A222-S225 WeakPolarHBondContact O-CB 3.21Å; A222-S225 PolarHBondContact O-N 3.48Å; A222-S225 VanDerWaalsContact O-N 3.12Å; A223-S225 VanDerWaalsContact C-N 3.33Å; S225-E232 PolarHBondContact O-N 3.19Å
226	L	83.4	Confident	81.5	Confident	22 Å²	22	40.4 Å²	40.4	12%	0.115	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.3	-175.4	-55.5	179.2	0	0	0	112.5	H166 E167 L170 A222 S230 L231	H166-L226 HydrophobicContact CB-CD2 3.78Å; E167-L226 HydrophobicContact CG-CD1 4.47Å; E167-L226 HydrophobicContact CG-CD2 3.89Å; L170-L226 HydrophobicContact CD1-CD1 3.41Å; L170-L226 VanDerWaalsContact CD1-CD1 3.41Å; L170-L226 HydrophobicContact CG-CD1 4.24Å; A222-L226 WeakPolarHBondContact O-CG 3.37Å; L226-S230 CarbonylContact C-O 3.57Å; L226-S230 WeakPolarHBondContact CA-O 3.32Å; L226-S230 VanDerWaalsContact CD2-C 3.41Å; L226-L231 HydrophobicContact CD2-CB 4.41Å; L226-L231 HydrophobicContact CD2-CD2 4.25Å; L226-L231 HydrophobicContact CD2-CG 3.92Å; L226-L231 VanDerWaalsContact CD2-N 3.34Å
227	V	76.1	Confident	81.1	Confident	51 Å²	51	37.4 Å²	37.4	31%	0.309	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.5	170.1	175.9	0	0	0	0	108.3	G229 S230 E232 N272	V227-G229 PolarHBondContact O-N 3.03Å; V227-S230 PolarHBondContact N-O 3.4Å; V227-S230 PolarHBondContact O-N 2.93Å; V227-E232 HydrophobicContact CB-CB 4.26Å; V227-E232 HydrophobicContact CG2-CB 3.8Å; V227-E232 HydrophobicContact CG2-CG 4.14Å; V227-N272 HydrophobicContact CG2-CB 4.25Å
228	N	71.1	Confident	80.9	Confident	161 Å²	161	40 Å²	40	86%	0.861	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	21.8	-173.7	-59	-42.1	0	0	0	115.5
229	G	66.6	Low	80.7	Confident	45 Å²	45	40.6 Å²	40.6	46%	0.464	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.5	-5.1	176	0	0	0	0	0	114.3	V227	V227-G229 PolarHBondContact O-N 3.03Å
230	S	62.5	Low	80.6	Confident	17 Å²	17	45.3 Å²	45.3	12%	0.119	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	161.4	172.8	63.9	0	0	0	0	111.9	E167 L226 V227 E232	E167-S230 WeakPolarHBondContact OE1-CA 3.48Å; E167-S230 WeakPolarHBondContact OE1-CB 3.16Å; L226-S230 CarbonylContact C-O 3.57Å; L226-S230 WeakPolarHBondContact CA-O 3.32Å; L226-S230 VanDerWaalsContact CD2-C 3.41Å; V227-S230 PolarHBondContact N-O 3.4Å; V227-S230 PolarHBondContact O-N 2.93Å; S230-E232 PolarHBondContact O-N 3.08Å
231	L	65.6	Low	80.3	Confident	26 Å²	26	45.4 Å²	45.4	14%	0.136	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	135.7	173.1	-88.4	165.5	0	0	0	110	H166 E167 L226 E233	H166-L231 HydrophobicContact CB-CD1 4.02Å; H166-L231 HydrophobicContact CB-CD2 3.92Å; H166-L231 HydrophobicContact CB-CG 3.86Å; E167-L231 PolarHBondContact OE1-N 2.76Å; L226-L231 HydrophobicContact CD2-CB 4.41Å; L226-L231 HydrophobicContact CD2-CD2 4.25Å; L226-L231 HydrophobicContact CD2-CG 3.92Å; L226-L231 VanDerWaalsContact CD2-N 3.34Å; L231-E233 PolarHBondContact O-N 2.85Å
232	E	66.5	Low	80.1	Confident	18 Å²	18	50.1 Å²	50.1	8%	0.084	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-64.6	128.8	175.5	-178.7	176.2	-148.9	0	0	109.5	S225 V227 S230 A234 Q270 N272	S225-E232 PolarHBondContact O-N 3.19Å; V227-E232 HydrophobicContact CB-CB 4.26Å; V227-E232 HydrophobicContact CG2-CB 3.8Å; V227-E232 HydrophobicContact CG2-CG 4.14Å; S230-E232 PolarHBondContact O-N 3.08Å; E232-A234 PolarHBondContact O-N 3.28Å; E232-Q270 HydrophobicContact CB-CB 4.48Å; E232-Q270 HydrophobicContact CB-CG 4.07Å; E232-Q270 HydrophobicContact CG-CG 4.36Å; E232-Q270 WeakPolarHBondContact O-CG 3.23Å; E232-Q270 PolarHBondContact O-NE2 3.48Å; E232-Q270 WeakPolarHBondContact OE2-CA 3.41Å; E232-N272 PolarHBondContact OE1-ND2 3.16Å; E232-N272 VanDerWaalsContact OE2-CB 3.32Å; E232-N272 WeakPolarHBondContact OE2-CB 3.26Å; E232-N272 PolarHBondContact OE2-N 3.22Å
233	E	62.9	Low	80.1	Confident	71 Å²	71	53.2 Å²	53.2	33%	0.332	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-46.6	130.3	169.2	-78.3	-171.1	173.6	0	0	111.9	L231 Q235 F365 V369	L231-E233 PolarHBondContact O-N 2.85Å; E233-Q235 PolarHBondContact O-N 3.11Å; E233-F365 HydrophobicContact CG-CE1 3.9Å; E233-F365 WeakPolarHBondContact OE1-CD1 3.48Å; E233-F365 WeakPolarHBondContact OE1-CE1 3.43Å; E233-V369 HydrophobicContact CB-CG1 3.53Å; E233-V369 HydrophobicContact CG-CB 4.13Å; E233-V369 HydrophobicContact CG-CG1 3.48Å; E233-V369 VanDerWaalsContact CG-CG1 3.48Å; E233-V369 HydrophobicContact CG-CG2 4.41Å
234	A	66.6	Low	79.9	Confident	16 Å²	16	51 Å²	51	13%	0.132	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-66.2	127.1	175.2	0	0	0	0	0	110.9	E232 F269 V372	E232-A234 PolarHBondContact O-N 3.28Å; A234-F269 HydrophobicContact CB-CB 3.88Å; A234-F269 HydrophobicContact CB-CD1 4.02Å; A234-F269 HydrophobicContact CB-CD2 4.17Å; A234-F269 HydrophobicContact CB-CG 3.84Å; A234-V372 HydrophobicContact CB-CB 3.71Å; A234-V372 HydrophobicContact CB-CG1 3.41Å; A234-V372 VanDerWaalsContact CB-CG1 3.41Å; A234-V372 HydrophobicContact CB-CG2 4.39Å
235	Q	72.2	Confident	79.8	Confident	91 Å²	91	53.5 Å²	53.5	43%	0.425	30%	0.3	S	S	.	.			trans	-120.1	135.1	-177.7	-67	179	4.8	0	0	112.1	E233 N237 F269	E233-Q235 PolarHBondContact O-N 3.11Å; Q235-N237 PolarHBondContact O-N 2.94Å; Q235-F269 PolarHBondContact N-O 2.93Å; Q235-F269 WeakPolarHBondContact O-CA 3.26Å; Q235-F269 WeakPolarHBondContact O-CD1 3.38Å
236	Y	83.9	Confident	79.8	Confident	51 Å²	51	58 Å²	58	20%	0.2	33%	0.332	C	S	.	.			trans	-68.6	98.3	169.2	-169	-81	0	0	0	110.7	D143 E144 K145 L238	D143-Y236 VanDerWaalsContact OD1-CE2 3.27Å; D143-Y236 WeakPolarHBondContact OD1-CE2 3.37Å; D143-Y236 VanDerWaalsContact OD1-CZ 3.31Å; D143-Y236 PolarHBondContact OD1-OH 3.41Å; D143-Y236 PolarHBondContact OD2-OH 2.66Å; E144-Y236 HydrophobicContact CB-CD2 3.98Å; E144-Y236 HydrophobicContact CB-CE2 4.07Å; K145-Y236 HydrophobicContact CB-CE1 4.37Å; K145-Y236 HydrophobicContact CB-CE2 4.28Å; K145-Y236 HydrophobicContact CD-CD1 3.74Å; K145-Y236 HydrophobicContact CD-CE1 3.61Å; K145-Y236 HydrophobicContact CD-CE2 4.48Å; K145-Y236 HydrophobicContact CD-CG 4.25Å; K145-Y236 VanDerWaalsContact CE-CD1 3.47Å; K145-Y236 HydrophobicContact CG-CD1 4.25Å; K145-Y236 HydrophobicContact CG-CD2 4.26Å; K145-Y236 HydrophobicContact CG-CE1 3.99Å; K145-Y236 HydrophobicContact CG-CE2 3.98Å; K145-Y236 HydrophobicContact CG-CG 4.38Å; Y236-L238 HydrophobicContact CE1-CB 3.91Å
237	N	89.6	Confident	79.8	Confident	59 Å²	59	59.2 Å²	59.2	32%	0.316	34%	0.338	S	S	.	.			trans	-128.7	88.9	178.9	173.8	44.6	0	0	0	110.3	Q235 V239 N267 I268	Q235-N237 PolarHBondContact O-N 2.94Å; N237-V239 PolarHBondContact O-N 3Å; N237-N267 WeakPolarHBondContact CA-OD1 2.85Å; N237-N267 PolarHBondContact N-OD1 3.25Å; N237-N267 PolarHBondContact O-OD1 3.12Å; N237-I268 WeakPolarHBondContact CB-O 3.32Å; N237-I268 PolarHBondContact O-N 3.35Å
238	L	92.2	Very high	80	Confident	60 Å²	60	56.8 Å²	56.8	31%	0.314	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	119.4	-179.6	-164.2	71.6	0	0	0	111.4	I151 Y236 E265	I151-L238 HydrophobicContact CD1-CD1 4.24Å; Y236-L238 HydrophobicContact CE1-CB 3.91Å; L238-E265 HydrophobicContact CD1-CB 3.83Å; L238-E265 HydrophobicContact CD2-CB 4.32Å; L238-E265 HydrophobicContact CD2-CG 4.34Å; L238-E265 HydrophobicContact CG-CB 3.96Å; L238-E265 HydrophobicContact CG-CG 4.3Å
239	V	92.3	Very high	80.3	Confident	14 Å²	14	54.1 Å²	54.1	9%	0.085	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.2	-178.6	176.2	0	0	0	0	110	N237 L244 I247 E265 V266 I268	N237-V239 PolarHBondContact O-N 3Å; V239-L244 HydrophobicContact CG1-CD2 3.97Å; V239-I247 HydrophobicContact CB-CD1 4.2Å; V239-I247 HydrophobicContact CG1-CD1 3.6Å; V239-I247 HydrophobicContact CG2-CD1 3.77Å; V239-E265 CarbonylContact O-C 3.56Å; V239-E265 WeakPolarHBondContact O-CA 3.35Å; V239-V266 PolarHBondContact N-O 3.01Å; V239-V266 PolarHBondContact O-N 3.02Å; V239-I268 HydrophobicContact CB-CD1 4.32Å; V239-I268 HydrophobicContact CG2-CD1 4Å; V239-I268 HydrophobicContact CG2-CG1 4.45Å
240	K	93.3	Very high	81.2	Confident	132 Å²	132	56.2 Å²	56.2	57%	0.574	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	140.4	175.5	-64.6	-176	-179.7	-178.7	0	110.6	A242 T243 L244 E265	K240-A242 PolarHBondContact O-N 3.44Å; K240-T243 PolarHBondContact O-N 2.76Å; K240-T243 PolarHBondContact O-OG1 2.78Å; K240-L244 PolarHBondContact O-N 3.11Å; K240-E265 HydrophobicContact CG-CG 4.2Å
241	F	89.2	Confident	82.3	Confident	60 Å²	60	55.4 Å²	55.4	26%	0.263	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-50.1	-46	177.2	-174.1	-83.8	0	0	0	112.4	T243 L244 T254 M257 V263 N264	F241-T243 PolarHBondContact O-N 2.99Å; F241-L244 HydrophobicContact CB-CD1 4.47Å; F241-L244 HydrophobicContact CD2-CD1 3.9Å; F241-L244 HydrophobicContact CE2-CD1 4.44Å; F241-L244 HydrophobicContact CG-CD1 4.26Å; F241-L244 WeakPolarHBondContact O-CB 3.31Å; F241-L244 PolarHBondContact O-N 3.14Å; F241-T254 HydrophobicContact CE1-CG2 3.75Å; F241-T254 HydrophobicContact CZ-CG2 3.78Å; F241-M257 HydrophobicContact CD2-CB 4.34Å; F241-M257 HydrophobicContact CE2-CB 3.48Å; F241-M257 VanDerWaalsContact CE2-CB 3.48Å; F241-M257 HydrophobicContact CE2-CG 4.07Å; F241-M257 HydrophobicContact CZ-CB 4.22Å; F241-V263 HydrophobicContact CD2-CG2 4.16Å; F241-N264 WeakPolarHBondContact CB-O 3.42Å; F241-N264 PolarHBondContact N-O 3.01Å
242	A	88.1	Confident	83.5	Confident	98 Å²	98	55.1 Å²	55.1	81%	0.81	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-63.4	-9.4	-179.5	0	0	0	0	0	115	K240	K240-A242 PolarHBondContact O-N 3.44Å
243	T	90.2	Very high	84.6	Confident	65 Å²	65	54.2 Å²	54.2	40%	0.399	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-114.8	3	178.3	53	0	0	0	0	113	K240 F241 D245 S246	K240-T243 PolarHBondContact O-N 2.76Å; K240-T243 PolarHBondContact O-OG1 2.78Å; F241-T243 PolarHBondContact O-N 2.99Å; T243-D245 PolarHBondContact O-N 3.17Å; T243-S246 WeakPolarHBondContact O-CB 3.35Å; T243-S246 PolarHBondContact O-N 3.22Å; T243-S246 PolarHBondContact O-OG 2.97Å
244	L	88.2	Confident	85.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-58.1	-46.5	-175.2	-81.2	172	0	0	0	113	V239 K240 F241 S246 I247 L253 M257 V266 I268	V239-L244 HydrophobicContact CG1-CD2 3.97Å; K240-L244 PolarHBondContact O-N 3.11Å; F241-L244 HydrophobicContact CB-CD1 4.47Å; F241-L244 HydrophobicContact CD2-CD1 3.9Å; F241-L244 HydrophobicContact CE2-CD1 4.44Å; F241-L244 HydrophobicContact CG-CD1 4.26Å; F241-L244 WeakPolarHBondContact O-CB 3.31Å; F241-L244 PolarHBondContact O-N 3.14Å; L244-S246 PolarHBondContact O-N 3.03Å; L244-I247 WeakPolarHBondContact O-CB 3.09Å; L244-I247 PolarHBondContact O-N 2.93Å; L244-L253 HydrophobicContact CB-CB 3.97Å; L244-L253 HydrophobicContact CD2-CB 4.44Å; L244-L253 HydrophobicContact CD2-CD1 4.14Å; L244-M257 HydrophobicContact CD1-CG 3.96Å; L244-V266 HydrophobicContact CD1-CG1 4.48Å; L244-V266 HydrophobicContact CD1-CG2 4.19Å; L244-V266 HydrophobicContact CD2-CG2 3.34Å; L244-V266 HydrophobicContact CG-CG2 4.24Å; L244-I268 HydrophobicContact CD2-CD1 4.28Å
245	D	88.9	Confident	87.1	Confident	66 Å²	66	54 Å²	54	35%	0.353	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-72	0.7	179	-67.7	11.1	0	0	0	113.4	T243 S248 S252 L253 T254	T243-D245 PolarHBondContact O-N 3.17Å; D245-S248 CarbonylContact C-O 3.41Å; D245-S248 WeakPolarHBondContact CA-O 3.23Å; D245-S252 VanDerWaalsContact CG-OG 3.31Å; D245-S252 PolarHBondContact OD1-OG 3.06Å; D245-S252 PolarHBondContact OD2-OG 2.72Å; D245-L253 PolarHBondContact OD1-N 3.5Å; D245-T254 VanDerWaalsContact OD1-CB 3.23Å; D245-T254 WeakPolarHBondContact OD1-CB 3.14Å; D245-T254 PolarHBondContact OD1-N 3.44Å; D245-T254 PolarHBondContact OD1-OG1 2.77Å; D245-T254 PolarHBondContact OD2-OG1 3.49Å
246	S	86.5	Confident	88	Confident	96 Å²	96	49.7 Å²	49.7	67%	0.671	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-84.7	-14.5	168.2	75.2	0	0	0	0	113.2	T243 L244	T243-S246 WeakPolarHBondContact O-CB 3.35Å; T243-S246 PolarHBondContact O-N 3.22Å; T243-S246 PolarHBondContact O-OG 2.97Å; L244-S246 PolarHBondContact O-N 3.03Å
247	I	83	Confident	88.3	Confident	47 Å²	47	47.5 Å²	47.5	24%	0.241	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-42.4	178.6	-57.4	-177.2	0	0	0	109.9	V239 L244 I268 F274	V239-I247 HydrophobicContact CB-CD1 4.2Å; V239-I247 HydrophobicContact CG1-CD1 3.6Å; V239-I247 HydrophobicContact CG2-CD1 3.77Å; L244-I247 WeakPolarHBondContact O-CB 3.09Å; L244-I247 PolarHBondContact O-N 2.93Å; I247-I268 HydrophobicContact CD1-CD1 3.25Å; I247-I268 HydrophobicContact CG2-CD1 4.45Å; I247-F274 HydrophobicContact CG2-CB 3.64Å; I247-F274 HydrophobicContact CG2-CG 4.47Å
248	S	80.7	Confident	88.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.285	C	S	.	.			trans	-134	118.8	177.5	162.3	0	0	0	0	108.3	D245 F251 D278	D245-S248 CarbonylContact C-O 3.41Å; D245-S248 WeakPolarHBondContact CA-O 3.23Å; S248-F251 WeakPolarHBondContact CB-O 3.25Å; S248-F251 WeakPolarHBondContact OG-CA 3.39Å; S248-F251 VanDerWaalsContact OG-CB 3.29Å; S248-F251 WeakPolarHBondContact OG-CB 3.3Å; S248-F251 PolarHBondContact OG-N 3.19Å; S248-F251 PolarHBondContact OG-O 3.16Å; S248-D278 PolarHBondContact OG-OD1 3Å
249	S	78.1	Confident	88.2	Confident	104 Å²	104	51.4 Å²	51.4	73%	0.727	29%	0.287	S	S	*	.	S	Bend	trans	-98.1	-25.5	-173.2	67.7	0	0	0	0	113.4	D278	S249-D278 WeakPolarHBondContact CA-OD2 3.37Å; S249-D278 WeakPolarHBondContact CB-OD2 3.36Å; S249-D278 VanDerWaalsContact N-CG 3.34Å; S249-D278 PolarHBondContact N-OD1 3.3Å; S249-D278 VanDerWaalsContact N-OD1 3.16Å; S249-D278 PolarHBondContact N-OD2 2.87Å; S249-D278 PolarHBondContact OG-OD2 3.33Å
250	R	84	Confident	88	Confident	89 Å²	89	51.4 Å²	51.4	34%	0.336	29%	0.286	S	S	.	.	S	Bend	trans	-89.1	-34.8	174.9	170.5	60.8	-173.4	88.5	-0	111.2	D278 L281 D286	R250-D278 WeakPolarHBondContact CA-OD1 3.24Å; R250-D278 HydrophobicContact CB-CB 4.17Å; R250-D278 VanDerWaalsContact CB-OD1 3.29Å; R250-D278 WeakPolarHBondContact CB-OD1 3.5Å; R250-D278 PolarHBondContact N-OD1 3.22Å; R250-D278 PolarHBondContact N-OD2 1.97Å; R250-L281 HydrophobicContact CG-CB 4.09Å; R250-D286 IonicContact NH2-OD1 3.69Å
251	F	87.1	Confident	87.7	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-109	103.8	178.1	-177.2	-103.6	0	0	0	110.1	E120 I123 I136 S248 L253 V256 D278 L281	E120-F251 HydrophobicContact CB-CE2 4.38Å; E120-F251 HydrophobicContact CG-CD2 3.88Å; E120-F251 HydrophobicContact CG-CE2 3.72Å; E120-F251 HydrophobicContact CG-CZ 4.29Å; I123-F251 HydrophobicContact CD1-CE2 3.48Å; I123-F251 VanDerWaalsContact CD1-CE2 3.48Å; I123-F251 HydrophobicContact CD1-CZ 3.61Å; I136-F251 HydrophobicContact CD1-CE1 4.1Å; I136-F251 HydrophobicContact CD1-CZ 4.48Å; I136-F251 HydrophobicContact CG2-CE1 4.05Å; S248-F251 WeakPolarHBondContact CB-O 3.25Å; S248-F251 WeakPolarHBondContact OG-CA 3.39Å; S248-F251 VanDerWaalsContact OG-CB 3.29Å; S248-F251 WeakPolarHBondContact OG-CB 3.3Å; S248-F251 PolarHBondContact OG-N 3.19Å; S248-F251 PolarHBondContact OG-O 3.16Å; F251-L253 HydrophobicContact CD1-CD2 3.97Å; F251-L253 HydrophobicContact CE1-CD2 3.85Å; F251-L253 PolarHBondContact O-N 2.85Å; F251-V256 HydrophobicContact CE1-CG2 3.87Å; F251-V256 HydrophobicContact CZ-CG2 3.65Å; F251-D278 PolarHBondContact N-OD1 2.87Å; F251-L281 HydrophobicContact CB-CD1 3.73Å; F251-L281 HydrophobicContact CD2-CD1 4.02Å; F251-L281 HydrophobicContact CG-CD1 4.09Å
252	S	90.8	Very high	87.5	Confident	20 Å²	20	48.8 Å²	48.8	14%	0.14	30%	0.297	C	S	.	.			trans	-75.7	100.1	-174.2	177.5	0	0	0	0	110.7	E120 D245 T254 L255 V256	E120-S252 WeakPolarHBondContact CG-O 3.39Å; E120-S252 PolarHBondContact OE1-N 3.17Å; D245-S252 VanDerWaalsContact CG-OG 3.31Å; D245-S252 PolarHBondContact OD1-OG 3.06Å; D245-S252 PolarHBondContact OD2-OG 2.72Å; S252-T254 PolarHBondContact O-N 3.01Å; S252-L255 WeakPolarHBondContact O-CB 3.33Å; S252-L255 PolarHBondContact O-N 3Å; S252-L255 VanDerWaalsContact O-N 3.08Å; S252-L255 PolarHBondContact OG-N 3.07Å; S252-V256 PolarHBondContact O-N 3.26Å
253	L	89.6	Confident	87.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-32.1	172.1	-69.1	177.4	0	0	0	111.2	I136 L154 L244 D245 F251 L255 V256 M257 F274	I136-L253 HydrophobicContact CD1-CD2 4.34Å; L154-L253 HydrophobicContact CD1-CD1 4.49Å; L154-L253 HydrophobicContact CD1-CD2 4.32Å; L244-L253 HydrophobicContact CB-CB 3.97Å; L244-L253 HydrophobicContact CD2-CB 4.44Å; L244-L253 HydrophobicContact CD2-CD1 4.14Å; D245-L253 PolarHBondContact OD1-N 3.5Å; F251-L253 HydrophobicContact CD1-CD2 3.97Å; F251-L253 HydrophobicContact CE1-CD2 3.85Å; F251-L253 PolarHBondContact O-N 2.85Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L253-L255 PolarHBondContact O-N 3.04Å; L253-V256 WeakPolarHBondContact O-CB 3.2Å; L253-V256 PolarHBondContact O-N 3.04Å; L253-M257 VanDerWaalsContact O-CG 3.25Å; L253-M257 WeakPolarHBondContact O-CG 2.9Å; L253-M257 PolarHBondContact O-N 3.2Å; L253-F274 HydrophobicContact CD1-CD1 4.15Å; L253-F274 HydrophobicContact CD1-CE1 4.34Å; L253-F274 HydrophobicContact CD2-CD1 4.35Å; L253-F274 HydrophobicContact CD2-CE1 3.94Å
254	T	90.5	Very high	87.3	Confident	31 Å²	31	47.7 Å²	47.7	19%	0.19	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-43.7	174.4	-57.5	0	0	0	0	111.6	F241 D245 S252 M257 E258	F241-T254 HydrophobicContact CE1-CG2 3.75Å; F241-T254 HydrophobicContact CZ-CG2 3.78Å; D245-T254 VanDerWaalsContact OD1-CB 3.23Å; D245-T254 WeakPolarHBondContact OD1-CB 3.14Å; D245-T254 PolarHBondContact OD1-N 3.44Å; D245-T254 PolarHBondContact OD1-OG1 2.77Å; D245-T254 PolarHBondContact OD2-OG1 3.49Å; S252-T254 PolarHBondContact O-N 3.01Å; T254-M257 PolarHBondContact O-N 3.14Å; T254-E258 WeakPolarHBondContact O-CG 3.14Å; T254-E258 PolarHBondContact O-N 3.03Å
255	L	91.6	Very high	87.6	Confident	51 Å²	51	50 Å²	50	27%	0.267	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-36	177	-72.4	179.2	0	0	0	112.8	P118 E120 S252 L253 M257 E258	P118-L255 HydrophobicContact CB-CD1 4.47Å; E120-L255 HydrophobicContact CB-CB 3.66Å; E120-L255 HydrophobicContact CB-CD1 4.48Å; E120-L255 HydrophobicContact CG-CB 4.08Å; E120-L255 HydrophobicContact CG-CD1 4.39Å; S252-L255 WeakPolarHBondContact O-CB 3.33Å; S252-L255 PolarHBondContact O-N 3Å; S252-L255 VanDerWaalsContact O-N 3.08Å; S252-L255 PolarHBondContact OG-N 3.07Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L253-L255 PolarHBondContact O-N 3.04Å; L255-M257 VanDerWaalsContact C-N 3.29Å; L255-M257 PolarHBondContact O-N 2.81Å; L255-E258 PolarHBondContact O-N 3.14Å
256	V	90.7	Very high	87.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-44.4	173.3	-176.9	0	0	0	0	109.8	E120 A124 I136 L138 F251 S252 L253 E258 F260	E120-V256 HydrophobicContact CB-CG2 3.78Å; E120-V256 HydrophobicContact CG-CG2 4.25Å; A124-V256 HydrophobicContact CB-CG1 3.96Å; A124-V256 WeakPolarHBondContact CB-O 3.13Å; I136-V256 HydrophobicContact CD1-CG1 4.27Å; L138-V256 HydrophobicContact CD1-CG1 4.44Å; F251-V256 HydrophobicContact CE1-CG2 3.87Å; F251-V256 HydrophobicContact CZ-CG2 3.65Å; S252-V256 PolarHBondContact O-N 3.26Å; L253-V256 WeakPolarHBondContact O-CB 3.2Å; L253-V256 PolarHBondContact O-N 3.04Å; V256-E258 VanDerWaalsContact C-N 3.28Å; V256-E258 PolarHBondContact O-N 2.91Å; V256-F260 HydrophobicContact CG1-CE2 4.45Å; V256-F260 WeakPolarHBondContact O-CD2 3.48Å; V256-F260 WeakPolarHBondContact O-CE2 3.19Å
257	M	90.6	Very high	88	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-73	-13.6	-176.6	-59.4	-62.7	99.6	0	0	114.2	L138 I152 L154 F241 L244 L253 T254 L255 E259 F260 V266	L138-M257 HydrophobicContact CD1-CE 3.71Å; I152-M257 HydrophobicContact CD1-CE 4.5Å; I152-M257 HydrophobicContact CD1-SD 3.46Å; I152-M257 WeakPolarHBondContact CD1-SD 3.41Å; I152-M257 HydrophobicContact CG2-CE 4.44Å; I152-M257 HydrophobicContact CG2-SD 4.21Å; L154-M257 HydrophobicContact CD2-CE 4.11Å; F241-M257 HydrophobicContact CD2-CB 4.34Å; F241-M257 HydrophobicContact CE2-CB 3.48Å; F241-M257 VanDerWaalsContact CE2-CB 3.48Å; F241-M257 HydrophobicContact CE2-CG 4.07Å; F241-M257 HydrophobicContact CZ-CB 4.22Å; L244-M257 HydrophobicContact CD1-CG 3.96Å; L253-M257 VanDerWaalsContact O-CG 3.25Å; L253-M257 WeakPolarHBondContact O-CG 2.9Å; L253-M257 PolarHBondContact O-N 3.2Å; T254-M257 PolarHBondContact O-N 3.14Å; L255-M257 VanDerWaalsContact C-N 3.29Å; L255-M257 PolarHBondContact O-N 2.81Å; M257-E259 PolarHBondContact O-N 2.93Å; M257-F260 HydrophobicContact CE-CD2 4.48Å; M257-F260 HydrophobicContact CE-CE2 4.33Å; M257-F260 PolarHBondContact O-N 3.38Å; M257-F260 VanDerWaalsContact O-N 3.1Å; M257-V266 HydrophobicContact SD-CG1 4.12Å
258	E	89.7	Confident	88.3	Confident	128 Å²	128	40 Å²	40	60%	0.598	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.1	178.2	-74.2	-171.5	164	0	0	113.3	T254 L255 V256 F260	T254-E258 WeakPolarHBondContact O-CG 3.14Å; T254-E258 PolarHBondContact O-N 3.03Å; L255-E258 PolarHBondContact O-N 3.14Å; V256-E258 VanDerWaalsContact C-N 3.28Å; V256-E258 PolarHBondContact O-N 2.91Å; E258-F260 VanDerWaalsContact C-N 3.28Å
259	E	88.6	Confident	88.3	Confident	74 Å²	74	40.3 Å²	40.3	35%	0.346	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.6	176.9	-58.4	-70.5	139.2	0	0	112.7	T121 A124 K125 L128 M257	T121-E259 HydrophobicContact CG2-CG 4.4Å; T121-E259 WeakPolarHBondContact CG2-OE1 3.45Å; A124-E259 HydrophobicContact CB-CB 3.99Å; A124-E259 HydrophobicContact CB-CG 3.77Å; K125-E259 WeakPolarHBondContact CE-OE2 3.44Å; K125-E259 IonicContact NZ-OE2 3.84Å; L128-E259 HydrophobicContact CD1-CB 3.6Å; M257-E259 PolarHBondContact O-N 2.93Å
260	F	88.6	Confident	88.4	Confident	13 Å²	13	35.5 Å²	35.5	6%	0.057	19%	0.193	C	C	.	.	S	Bend	trans	-102.7	157.4	-178.8	-63.1	-100.4	0	0	0	111.3	A124 W127 L128 L138 I140 I152 V256 M257 E258 A496 L499	A124-F260 HydrophobicContact CB-CE2 4.17Å; W127-F260 HydrophobicContact CD2-CZ 4.39Å; W127-F260 AromaticContact CE3-CE1 3.62Å; W127-F260 HydrophobicContact CE3-CE1 3.62Å; W127-F260 AromaticContact CE3-CZ 3.67Å; W127-F260 HydrophobicContact CE3-CZ 3.67Å; W127-F260 HydrophobicContact CH2-CE1 4.07Å; W127-F260 HydrophobicContact CZ3-CD1 4.39Å; W127-F260 AromaticContact CZ3-CE1 3.35Å; W127-F260 HydrophobicContact CZ3-CE1 3.35Å; W127-F260 AromaticContact CZ3-CZ 3.93Å; W127-F260 HydrophobicContact CZ3-CZ 3.93Å; L128-F260 HydrophobicContact CD2-CE1 4.19Å; L128-F260 HydrophobicContact CG-CE1 4.43Å; L128-F260 HydrophobicContact CG-CZ 4.27Å; L138-F260 HydrophobicContact CD1-CE1 4.1Å; L138-F260 HydrophobicContact CD1-CE2 3.9Å; L138-F260 HydrophobicContact CD1-CZ 3.42Å; L138-F260 VanDerWaalsContact CD1-CZ 3.42Å; L138-F260 HydrophobicContact CD2-CE1 3.69Å; L138-F260 HydrophobicContact CD2-CZ 3.76Å; L138-F260 HydrophobicContact CG-CZ 4.29Å; I140-F260 HydrophobicContact CD1-CD1 4.25Å; I140-F260 HydrophobicContact CD1-CE1 4.32Å; I152-F260 HydrophobicContact CD1-CB 4.15Å; I152-F260 HydrophobicContact CD1-CD1 4.02Å; I152-F260 HydrophobicContact CD1-CG 4.03Å; V256-F260 HydrophobicContact CG1-CE2 4.45Å; V256-F260 WeakPolarHBondContact O-CD2 3.48Å; V256-F260 WeakPolarHBondContact O-CE2 3.19Å; M257-F260 HydrophobicContact CE-CD2 4.48Å; M257-F260 HydrophobicContact CE-CE2 4.33Å; M257-F260 PolarHBondContact O-N 3.38Å; M257-F260 VanDerWaalsContact O-N 3.1Å; E258-F260 VanDerWaalsContact C-N 3.28Å; F260-A496 HydrophobicContact CD1-CB 4.33Å; F260-L499 HydrophobicContact CB-CD1 4.4Å; F260-L499 HydrophobicContact CD1-CD1 4.38Å
261	P	87.2	Confident	88.2	Confident	40 Å²	40	33 Å²	33	26%	0.26	19%	0.188	S	C	.	.			trans	-52.1	144.1	165.7	-28.2	38	0	0	0	111.6	V263 A496 V500	P261-V263 PolarHBondContact O-N 3.05Å; P261-A496 WeakPolarHBondContact CG-O 3.46Å; P261-V500 HydrophobicContact CB-CG1 3.77Å
262	A	85.4	Confident	88	Confident	98 Å²	98	36.4 Å²	36.4	81%	0.81	21%	0.206	S	C	*	.			trans	-59.4	115.6	-173.5	0	0	0	0	0	111.9
263	V	85.3	Confident	87.8	Confident	13 Å²	13	35.6 Å²	35.6	8%	0.079	20%	0.2	C	C	.	.			trans	-107.7	148.5	174.6	-67.4	0	0	0	0	111.2	I152 F241 P261 V266 L499	I152-V263 HydrophobicContact CD1-CG1 4.3Å; I152-V263 HydrophobicContact CD1-CG2 4.06Å; F241-V263 HydrophobicContact CD2-CG2 4.16Å; P261-V263 PolarHBondContact O-N 3.05Å; V263-V266 HydrophobicContact CG2-CG1 4.03Å; V263-L499 HydrophobicContact CG1-CB 4.1Å; V263-L499 HydrophobicContact CG1-CD1 3.83Å; V263-L499 HydrophobicContact CG1-CD2 3.99Å; V263-L499 HydrophobicContact CG1-CG 4.19Å
264	N	88.8	Confident	87.5	Confident	127 Å²	127	35.6 Å²	35.6	68%	0.679	20%	0.2	S	C	*	.	S	Bend	trans	-86.4	-32.2	176.7	-68.4	-44	0	0	0	112.5	F241	F241-N264 WeakPolarHBondContact CB-O 3.42Å; F241-N264 PolarHBondContact N-O 3.01Å
265	E	93	Very high	87	Confident	48 Å²	48	37.6 Å²	37.6	22%	0.224	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	148.5	-167.5	-70	162.8	150.7	0	0	108.9	R149 L238 V239 K240	R149-E265 IonicContact NH1-OE2 3.58Å; R149-E265 PolarHBondContact NH1-OE2 2.79Å; L238-E265 HydrophobicContact CD1-CB 3.83Å; L238-E265 HydrophobicContact CD2-CB 4.32Å; L238-E265 HydrophobicContact CD2-CG 4.34Å; L238-E265 HydrophobicContact CG-CB 3.96Å; L238-E265 HydrophobicContact CG-CG 4.3Å; V239-E265 CarbonylContact O-C 3.56Å; V239-E265 WeakPolarHBondContact O-CA 3.35Å; K240-E265 HydrophobicContact CG-CG 4.2Å
266	V	92.8	Very high	86.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.7	174.2	-55.3	0	0	0	0	108.5	I152 L154 V239 L244 M257 V263 I268	I152-V266 HydrophobicContact CB-CB 4.36Å; I152-V266 HydrophobicContact CB-CG1 3.98Å; I152-V266 CarbonylContact O-C 3.43Å; I152-V266 WeakPolarHBondContact O-CA 3.29Å; I152-V266 WeakPolarHBondContact O-CB 3.38Å; L154-V266 HydrophobicContact CD1-CG2 4.14Å; V239-V266 PolarHBondContact N-O 3.01Å; V239-V266 PolarHBondContact O-N 3.02Å; L244-V266 HydrophobicContact CD1-CG1 4.48Å; L244-V266 HydrophobicContact CD1-CG2 4.19Å; L244-V266 HydrophobicContact CD2-CG2 3.34Å; L244-V266 HydrophobicContact CG-CG2 4.24Å; M257-V266 HydrophobicContact SD-CG1 4.12Å; V263-V266 HydrophobicContact CG2-CG1 4.03Å; V266-I268 HydrophobicContact CG2-CG1 4.44Å
267	N	91.6	Very high	86.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.1	173.9	-170.4	34.8	0	0	0	110.1	I151 I152 Y153 L154 N237 F269	I151-N267 HydrophobicContact CD1-CB 3.82Å; I152-N267 PolarHBondContact O-N 2.9Å; Y153-N267 CarbonylContact C-O 3.05Å; Y153-N267 WeakPolarHBondContact CA-O 3.36Å; Y153-N267 HydrophobicContact CD1-CB 3.65Å; Y153-N267 WeakPolarHBondContact CD1-ND2 3.32Å; Y153-N267 HydrophobicContact CE1-CB 3.89Å; Y153-N267 WeakPolarHBondContact CE1-ND2 3.02Å; Y153-N267 HydrophobicContact CG-CB 4.3Å; L154-N267 PolarHBondContact N-O 3.23Å; N237-N267 WeakPolarHBondContact CA-OD1 2.85Å; N237-N267 PolarHBondContact N-OD1 3.25Å; N237-N267 PolarHBondContact O-OD1 3.12Å; N267-F269 WeakPolarHBondContact ND2-CD1 3.2Å; N267-F269 WeakPolarHBondContact ND2-CE1 3.46Å
268	I	89.3	Confident	86.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	104.5	177.1	-66.6	176.5	0	0	0	108.5	L154 N237 V239 L244 I247 V266 P271 F274	L154-I268 HydrophobicContact CB-CG1 4.27Å; L154-I268 HydrophobicContact CD1-CG1 4.38Å; L154-I268 CarbonylContact O-C 3.56Å; L154-I268 WeakPolarHBondContact O-CA 3.17Å; N237-I268 WeakPolarHBondContact CB-O 3.32Å; N237-I268 PolarHBondContact O-N 3.35Å; V239-I268 HydrophobicContact CB-CD1 4.32Å; V239-I268 HydrophobicContact CG2-CD1 4Å; V239-I268 HydrophobicContact CG2-CG1 4.45Å; L244-I268 HydrophobicContact CD2-CD1 4.28Å; I247-I268 HydrophobicContact CD1-CD1 3.25Å; I247-I268 HydrophobicContact CG2-CD1 4.45Å; V266-I268 HydrophobicContact CG2-CG1 4.44Å; I268-P271 HydrophobicContact CG2-CB 4.29Å; I268-F274 HydrophobicContact CG2-CD2 3.51Å; I268-F274 HydrophobicContact CG2-CE2 3.75Å; I268-F274 HydrophobicContact CG2-CG 4.38Å
269	F	80.1	Confident	86.3	Confident	5 Å²	5	36.8 Å²	36.8	2%	0.022	22%	0.221	C	C	.	.	S	Bend	trans	-69.4	-37.2	-173.5	-79.3	-33.2	0	0	0	113.7	Y139 Y153 L154 A234 Q235 N267 P271 V372	Y139-F269 HydrophobicContact CE1-CD2 4.17Å; Y139-F269 AromaticContact CE1-CE2 3.52Å; Y139-F269 HydrophobicContact CE1-CE2 3.52Å; Y139-F269 HydrophobicContact CE1-CZ 4.4Å; Y139-F269 AromaticContact CZ-CE2 3.71Å; Y139-F269 WeakPolarHBondContact OH-CE2 3.31Å; Y139-F269 WeakPolarHBondContact OH-CZ 3.38Å; Y153-F269 HydrophobicContact CD1-CD1 4.22Å; Y153-F269 HydrophobicContact CD1-CD2 4.17Å; Y153-F269 AromaticContact CD1-CE1 3.54Å; Y153-F269 HydrophobicContact CD1-CE1 3.54Å; Y153-F269 AromaticContact CD1-CE2 3.51Å; Y153-F269 HydrophobicContact CD1-CE2 3.51Å; Y153-F269 AromaticContact CD1-CZ 3.13Å; Y153-F269 HydrophobicContact CD1-CZ 3.13Å; Y153-F269 AromaticContact CE1-CE1 3.65Å; Y153-F269 HydrophobicContact CE1-CE1 3.65Å; Y153-F269 HydrophobicContact CE1-CE2 4.17Å; Y153-F269 AromaticContact CE1-CZ 3.34Å; Y153-F269 HydrophobicContact CE1-CZ 3.34Å; Y153-F269 HydrophobicContact CG-CE2 4.2Å; Y153-F269 HydrophobicContact CG-CZ 4.18Å; L154-F269 PolarHBondContact O-N 3.21Å; A234-F269 HydrophobicContact CB-CB 3.88Å; A234-F269 HydrophobicContact CB-CD1 4.02Å; A234-F269 HydrophobicContact CB-CD2 4.17Å; A234-F269 HydrophobicContact CB-CG 3.84Å; Q235-F269 PolarHBondContact N-O 2.93Å; Q235-F269 WeakPolarHBondContact O-CA 3.26Å; Q235-F269 WeakPolarHBondContact O-CD1 3.38Å; N267-F269 WeakPolarHBondContact ND2-CD1 3.2Å; N267-F269 WeakPolarHBondContact ND2-CE1 3.46Å; F269-P271 WeakPolarHBondContact O-CD 3.39Å; F269-V372 HydrophobicContact CD1-CG1 4.41Å; F269-V372 HydrophobicContact CD2-CG1 4.05Å; F269-V372 HydrophobicContact CE1-CG1 3.82Å; F269-V372 HydrophobicContact CE2-CG1 3.36Å; F269-V372 HydrophobicContact CZ-CG1 3.25Å
270	Q	80.7	Confident	86.5	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.019	21%	0.209	C	C	.	.			trans	-125.3	75.8	-175.1	-68.2	152.8	-41.7	0	0	110	T156 E232 N272 F273 F274	T156-Q270 HydrophobicContact CG2-CB 4.07Å; T156-Q270 HydrophobicContact CG2-CG 4.34Å; T156-Q270 PolarHBondContact OG1-OE1 3.44Å; E232-Q270 HydrophobicContact CB-CB 4.48Å; E232-Q270 HydrophobicContact CB-CG 4.07Å; E232-Q270 HydrophobicContact CG-CG 4.36Å; E232-Q270 WeakPolarHBondContact O-CG 3.23Å; E232-Q270 PolarHBondContact O-NE2 3.48Å; E232-Q270 WeakPolarHBondContact OE2-CA 3.41Å; Q270-N272 PolarHBondContact O-N 2.99Å; Q270-F273 HydrophobicContact CB-CB 4.41Å; Q270-F273 PolarHBondContact O-N 3.21Å; Q270-F274 WeakPolarHBondContact O-CD2 3.4Å
271	P	80.4	Confident	86.7	Confident	35 Å²	35	33.6 Å²	33.6	23%	0.227	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-25.7	-172.9	25.4	-33.9	0	0	0	113.2	I268 F269 F274 S275	I268-P271 HydrophobicContact CG2-CB 4.29Å; F269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-F274 PolarHBondContact O-N 3.44Å; P271-S275 PolarHBondContact O-N 3.28Å
272	N	82.1	Confident	86.9	Confident	73 Å²	73	39 Å²	39	39%	0.39	23%	0.228	S	C	.	.	H	α-helix	trans	-68.5	-37.9	179.3	-70	-42.4	0	0	0	111.7	V227 E232 Q270 F274 S275 N276	V227-N272 HydrophobicContact CG2-CB 4.25Å; E232-N272 PolarHBondContact OE1-ND2 3.16Å; E232-N272 VanDerWaalsContact OE2-CB 3.32Å; E232-N272 WeakPolarHBondContact OE2-CB 3.26Å; E232-N272 PolarHBondContact OE2-N 3.22Å; Q270-N272 PolarHBondContact O-N 2.99Å; N272-F274 VanDerWaalsContact C-N 3.35Å; N272-F274 PolarHBondContact O-N 3.37Å; N272-S275 WeakPolarHBondContact O-CB 3.38Å; N272-S275 PolarHBondContact O-N 3.01Å; N272-S275 VanDerWaalsContact O-N 3.1Å; N272-S275 PolarHBondContact O-OG 2.94Å; N272-N276 PolarHBondContact O-N 2.9Å; N272-N276 PolarHBondContact O-ND2 3.05Å
273	F	86.7	Confident	87.3	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-56.5	-48.6	174.7	169.7	-103.7	0	0	0	111.7	L135 I136 T156 P157 A224 Q270 S275 N276 I277	L135-F273 WeakPolarHBondContact O-CZ 3.21Å; I136-F273 HydrophobicContact CG2-CE1 4.33Å; T156-F273 HydrophobicContact CG2-CB 3.63Å; T156-F273 HydrophobicContact CG2-CD1 4.17Å; T156-F273 HydrophobicContact CG2-CD2 4Å; T156-F273 HydrophobicContact CG2-CG 3.65Å; P157-F273 HydrophobicContact CG-CE2 4.29Å; P157-F273 HydrophobicContact CG-CZ 4.14Å; A224-F273 HydrophobicContact CB-CD2 4.24Å; A224-F273 HydrophobicContact CB-CE2 4.38Å; Q270-F273 HydrophobicContact CB-CB 4.41Å; Q270-F273 PolarHBondContact O-N 3.21Å; F273-S275 PolarHBondContact O-N 2.94Å; F273-N276 PolarHBondContact O-N 3.26Å; F273-I277 HydrophobicContact CE1-CB 4.46Å; F273-I277 HydrophobicContact CE1-CD1 3.82Å; F273-I277 HydrophobicContact CE1-CG1 4.42Å; F273-I277 HydrophobicContact CZ-CB 4.28Å; F273-I277 HydrophobicContact CZ-CD1 3.67Å; F273-I277 HydrophobicContact CZ-CG1 3.99Å; F273-I277 PolarHBondContact O-N 3.27Å
274	F	84.2	Confident	87.9	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-22.5	179.3	-71.6	-85.6	0	0	0	113.4	I136 L154 G155 I247 L253 I268 Q270 P271 N272 N276 I277	I136-F274 HydrophobicContact CB-CE1 4.4Å; I136-F274 HydrophobicContact CB-CZ 4.38Å; I136-F274 HydrophobicContact CG2-CE1 3.67Å; I136-F274 HydrophobicContact CG2-CZ 4.08Å; L154-F274 HydrophobicContact CB-CE2 4.24Å; L154-F274 HydrophobicContact CB-CZ 3.76Å; G155-F274 WeakPolarHBondContact O-CZ 3.48Å; I247-F274 HydrophobicContact CG2-CB 3.64Å; I247-F274 HydrophobicContact CG2-CG 4.47Å; L253-F274 HydrophobicContact CD1-CD1 4.15Å; L253-F274 HydrophobicContact CD1-CE1 4.34Å; L253-F274 HydrophobicContact CD2-CD1 4.35Å; L253-F274 HydrophobicContact CD2-CE1 3.94Å; I268-F274 HydrophobicContact CG2-CD2 3.51Å; I268-F274 HydrophobicContact CG2-CE2 3.75Å; I268-F274 HydrophobicContact CG2-CG 4.38Å; Q270-F274 WeakPolarHBondContact O-CD2 3.4Å; P271-F274 PolarHBondContact O-N 3.44Å; N272-F274 VanDerWaalsContact C-N 3.35Å; N272-F274 PolarHBondContact O-N 3.37Å; F274-N276 VanDerWaalsContact C-N 3.31Å; F274-I277 WeakPolarHBondContact O-CG2 3.42Å
275	S	78.7	Confident	88.2	Confident	73 Å²	73	37.8 Å²	37.8	51%	0.51	21%	0.212	S	C	.	.	H	α-helix	trans	-74.3	-23	172.4	78.4	0	0	0	0	113.3	P271 N272 F273	P271-S275 PolarHBondContact O-N 3.28Å; N272-S275 WeakPolarHBondContact O-CB 3.38Å; N272-S275 PolarHBondContact O-N 3.01Å; N272-S275 VanDerWaalsContact O-N 3.1Å; N272-S275 PolarHBondContact O-OG 2.94Å; F273-S275 PolarHBondContact O-N 2.94Å
276	N	84	Confident	88.4	Confident	74 Å²	74	38.7 Å²	38.7	40%	0.396	22%	0.218	S	C	.	.	H	α-helix	trans	-95.7	-28.1	-178.7	-67	-33.6	0	0	0	112.9	A224 N272 F273 F274 D278 S279 I280	A224-N276 HydrophobicContact CB-CB 4.23Å; N272-N276 PolarHBondContact O-N 2.9Å; N272-N276 PolarHBondContact O-ND2 3.05Å; F273-N276 PolarHBondContact O-N 3.26Å; F274-N276 VanDerWaalsContact C-N 3.31Å; N276-D278 PolarHBondContact O-N 3.46Å; N276-S279 PolarHBondContact O-N 3.4Å; N276-S279 VanDerWaalsContact O-N 3.12Å; N276-I280 PolarHBondContact O-N 2.6Å
277	I	87.5	Confident	88.6	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-35.6	-173.2	-157.3	178.1	0	0	0	112.8	L135 I136 F273 F274 S279 I280 L281	L135-I277 HydrophobicContact CB-CD1 4.43Å; I136-I277 HydrophobicContact CG2-CD1 4.06Å; F273-I277 HydrophobicContact CE1-CB 4.46Å; F273-I277 HydrophobicContact CE1-CD1 3.82Å; F273-I277 HydrophobicContact CE1-CG1 4.42Å; F273-I277 HydrophobicContact CZ-CB 4.28Å; F273-I277 HydrophobicContact CZ-CD1 3.67Å; F273-I277 HydrophobicContact CZ-CG1 3.99Å; F273-I277 PolarHBondContact O-N 3.27Å; F274-I277 WeakPolarHBondContact O-CG2 3.42Å; I277-S279 VanDerWaalsContact C-N 3.35Å; I277-S279 PolarHBondContact O-N 2.77Å; I277-I280 PolarHBondContact O-N 3.38Å; I277-L281 HydrophobicContact CD1-CD1 4.33Å; I277-L281 HydrophobicContact CG1-CD1 3.98Å; I277-L281 HydrophobicContact CG1-CG 4.21Å; I277-L281 WeakPolarHBondContact O-CG 3.49Å; I277-L281 PolarHBondContact O-N 3.25Å
278	D	87.2	Confident	88.9	Confident	26 Å²	26	40.7 Å²	40.7	14%	0.139	23%	0.228	C	C	.	.	H	α-helix	trans	-56.3	-46.9	177.6	-89.7	-3.3	0	0	0	112.2	S248 S249 R250 F251 N276 L281 E282	S248-D278 PolarHBondContact OG-OD1 3Å; S249-D278 WeakPolarHBondContact CA-OD2 3.37Å; S249-D278 WeakPolarHBondContact CB-OD2 3.36Å; S249-D278 VanDerWaalsContact N-CG 3.34Å; S249-D278 PolarHBondContact N-OD1 3.3Å; S249-D278 VanDerWaalsContact N-OD1 3.16Å; S249-D278 PolarHBondContact N-OD2 2.87Å; S249-D278 PolarHBondContact OG-OD2 3.33Å; R250-D278 WeakPolarHBondContact CA-OD1 3.24Å; R250-D278 HydrophobicContact CB-CB 4.17Å; R250-D278 VanDerWaalsContact CB-OD1 3.29Å; R250-D278 WeakPolarHBondContact CB-OD1 3.5Å; R250-D278 PolarHBondContact N-OD1 3.22Å; R250-D278 PolarHBondContact N-OD2 1.97Å; F251-D278 PolarHBondContact N-OD1 2.87Å; N276-D278 PolarHBondContact O-N 3.46Å; D278-L281 PolarHBondContact O-N 2.88Å; D278-E282 WeakPolarHBondContact O-CB 2.97Å; D278-E282 PolarHBondContact O-N 2.89Å
279	S	89.7	Confident	89.2	Confident	68 Å²	68	40.7 Å²	40.7	48%	0.476	23%	0.228	S	C	.	.	H	α-helix	trans	-67	-39.9	-179.4	-170.2	0	0	0	0	111.2	N276 I277 L281 E282 D283	N276-S279 PolarHBondContact O-N 3.4Å; N276-S279 VanDerWaalsContact O-N 3.12Å; I277-S279 VanDerWaalsContact C-N 3.35Å; I277-S279 PolarHBondContact O-N 2.77Å; S279-L281 VanDerWaalsContact C-N 3.34Å; S279-L281 PolarHBondContact O-N 2.85Å; S279-E282 PolarHBondContact O-N 3.36Å; S279-D283 WeakPolarHBondContact O-CB 3.47Å; S279-D283 PolarHBondContact O-N 3.42Å
280	I	93.5	Very high	90	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.087	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-44.8	-179.9	-60.7	168.5	0	0	0	110	F217 T220 L221 A224 N276 I277 D283 T284	F217-I280 HydrophobicContact CD2-CG2 4.45Å; F217-I280 HydrophobicContact CE2-CG2 3.87Å; T220-I280 HydrophobicContact CG2-CD1 4.47Å; T220-I280 HydrophobicContact CG2-CG1 4.22Å; T220-I280 HydrophobicContact CG2-CG2 4.13Å; L221-I280 HydrophobicContact CD2-CG2 4.22Å; A224-I280 HydrophobicContact CB-CD1 3.3Å; N276-I280 PolarHBondContact O-N 2.6Å; I277-I280 PolarHBondContact O-N 3.38Å; I280-D283 PolarHBondContact O-N 2.83Å; I280-T284 VanDerWaalsContact O-CB 3.24Å; I280-T284 WeakPolarHBondContact O-CB 3.47Å; I280-T284 PolarHBondContact O-N 3.44Å; I280-T284 VanDerWaalsContact O-N 3.08Å; I280-T284 PolarHBondContact O-OG1 3.43Å
281	L	92.6	Very high	90.8	Very high	3 Å²	3	41 Å²	41	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-74.7	-24.7	-180	-61.1	176.5	0	0	0	113.1	L135 F217 R250 F251 I277 D278 S279 I289	L135-L281 HydrophobicContact CD1-CD1 4.5Å; L135-L281 HydrophobicContact CD1-CD2 3.89Å; F217-L281 HydrophobicContact CZ-CD2 4.46Å; R250-L281 HydrophobicContact CG-CB 4.09Å; F251-L281 HydrophobicContact CB-CD1 3.73Å; F251-L281 HydrophobicContact CD2-CD1 4.02Å; F251-L281 HydrophobicContact CG-CD1 4.09Å; I277-L281 HydrophobicContact CD1-CD1 4.33Å; I277-L281 HydrophobicContact CG1-CD1 3.98Å; I277-L281 HydrophobicContact CG1-CG 4.21Å; I277-L281 WeakPolarHBondContact O-CG 3.49Å; I277-L281 PolarHBondContact O-N 3.25Å; D278-L281 PolarHBondContact O-N 2.88Å; S279-L281 VanDerWaalsContact C-N 3.34Å; S279-L281 PolarHBondContact O-N 2.85Å; L281-I289 HydrophobicContact CD2-CD1 3.76Å; L281-I289 HydrophobicContact CD2-CG1 4.27Å
282	E	91.5	Very high	91.7	Very high	152 Å²	152	39.4 Å²	39.4	71%	0.71	22%	0.219	S	C	*	.	H	α-helix	trans	-74.8	-37.8	172.4	-171.3	170.6	-169.5	0	0	112	D278 S279	D278-E282 WeakPolarHBondContact O-CB 2.97Å; D278-E282 PolarHBondContact O-N 2.89Å; S279-E282 PolarHBondContact O-N 3.36Å
283	D	94.3	Very high	92.3	Very high	130 Å²	130	35.9 Å²	35.9	70%	0.695	20%	0.2	S	C	*	.	H	α-helix	trans	-83.6	-13.8	-178.2	-71.9	-31.3	0	0	0	113.7	S279 I280	S279-D283 WeakPolarHBondContact O-CB 3.47Å; S279-D283 PolarHBondContact O-N 3.42Å; I280-D283 PolarHBondContact O-N 2.83Å
284	T	96.3	Very high	92.8	Very high	24 Å²	24	35.8 Å²	35.8	15%	0.147	20%	0.2	C	C	.	.	S	Bend	trans	-98.8	127	-178	-56.8	0	0	0	0	111.7	F217 I280 D286 I288 I289	F217-T284 HydrophobicContact CD2-CG2 3.54Å; F217-T284 HydrophobicContact CE2-CG2 3.7Å; F217-T284 HydrophobicContact CG-CG2 4.33Å; I280-T284 VanDerWaalsContact O-CB 3.24Å; I280-T284 WeakPolarHBondContact O-CB 3.47Å; I280-T284 PolarHBondContact O-N 3.44Å; I280-T284 VanDerWaalsContact O-N 3.08Å; I280-T284 PolarHBondContact O-OG1 3.43Å; T284-D286 PolarHBondContact O-N 2.78Å; T284-I288 HydrophobicContact CG2-CB 3.87Å; T284-I288 HydrophobicContact CG2-CG2 3.99Å; T284-I289 HydrophobicContact CG2-CD1 4.46Å; T284-I289 HydrophobicContact CG2-CG1 3.87Å
285	P	96.9	Very high	93.4	Very high	60 Å²	60	35.8 Å²	35.8	39%	0.39	20%	0.2	S	C	.	.			trans	-55.9	135.3	170.1	-24.1	32.2	0	0	0	113.1	E287 I288 I289	P285-E287 VanDerWaalsContact CB-CD 3.48Å; P285-E287 HydrophobicContact CB-CG 4.31Å; P285-E287 WeakPolarHBondContact CB-OE2 3.32Å; P285-E287 PolarHBondContact O-N 3.42Å; P285-E287 VanDerWaalsContact O-N 3.14Å; P285-I288 HydrophobicContact CB-CD1 4.43Å; P285-I288 HydrophobicContact CB-CG1 4.37Å; P285-I288 HydrophobicContact CG-CD1 4.14Å; P285-I288 WeakPolarHBondContact O-CB 3.47Å; P285-I288 PolarHBondContact O-N 3.08Å; P285-I289 PolarHBondContact O-N 3.39Å
286	D	95.3	Very high	94	Very high	66 Å²	66	33 Å²	33	35%	0.353	18%	0.179	S	C	.	.	H	α-helix	trans	-55.2	-35	-177.1	-70.6	-28.2	0	0	0	112.8	I112 R250 T284 I288 I289 H290	I112-D286 HydrophobicContact CD1-CB 3.54Å; I112-D286 HydrophobicContact CG1-CB 3.96Å; R250-D286 IonicContact NH2-OD1 3.69Å; T284-D286 PolarHBondContact O-N 2.78Å; D286-I288 PolarHBondContact O-N 3.49Å; D286-I289 PolarHBondContact O-N 2.85Å; D286-H290 PolarHBondContact O-CD2 3.21Å; D286-H290 VanDerWaalsContact O-CD2 3.27Å; D286-H290 PolarHBondContact O-N 3.35Å
287	E	97.3	Very high	94.4	Very high	29 Å²	29	29.6 Å²	29.6	14%	0.136	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-29.3	177.4	64.3	-91.7	-149	0	0	113.5	R110 I112 P285 A291	R110-E287 HydrophobicContact CB-CG 4.42Å; R110-E287 WeakPolarHBondContact CG-OE1 3.48Å; I112-E287 HydrophobicContact CG1-CB 4.41Å; P285-E287 VanDerWaalsContact CB-CD 3.48Å; P285-E287 HydrophobicContact CB-CG 4.31Å; P285-E287 WeakPolarHBondContact CB-OE2 3.32Å; P285-E287 PolarHBondContact O-N 3.42Å; P285-E287 VanDerWaalsContact O-N 3.14Å; E287-A291 VanDerWaalsContact O-CB 3.26Å; E287-A291 WeakPolarHBondContact O-CB 3.47Å; E287-A291 PolarHBondContact O-N 3.39Å
288	I	98.3	Very high	94.7	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.067	16%	0.161	C	C	.	.	H	α-helix	trans	-75	-40.8	176.6	-60.8	-177.8	0	0	0	109.7	I107 E213 F217 T284 P285 D286 H290 A291 Y292	I107-I288 HydrophobicContact CD1-CG1 4.37Å; I107-I288 HydrophobicContact CG1-CG1 4.19Å; E213-I288 HydrophobicContact CB-CD1 4.26Å; F217-I288 HydrophobicContact CB-CG2 3.77Å; F217-I288 HydrophobicContact CD1-CG2 4.38Å; F217-I288 HydrophobicContact CG-CG2 3.99Å; T284-I288 HydrophobicContact CG2-CB 3.87Å; T284-I288 HydrophobicContact CG2-CG2 3.99Å; P285-I288 HydrophobicContact CB-CD1 4.43Å; P285-I288 HydrophobicContact CB-CG1 4.37Å; P285-I288 HydrophobicContact CG-CD1 4.14Å; P285-I288 WeakPolarHBondContact O-CB 3.47Å; P285-I288 PolarHBondContact O-N 3.08Å; D286-I288 PolarHBondContact O-N 3.49Å; I288-H290 VanDerWaalsContact C-N 3.35Å; I288-H290 PolarHBondContact O-N 3.31Å; I288-A291 WeakPolarHBondContact O-CB 3.5Å; I288-A291 PolarHBondContact O-N 2.78Å; I288-Y292 PolarHBondContact O-N 2.95Å
289	I	96.4	Very high	94.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-46.1	176.6	-58.5	169	0	0	0	109.9	L119 L135 F217 L281 T284 P285 D286 A291 Y292 L293	L119-I289 HydrophobicContact CD1-CG2 3.96Å; L119-I289 HydrophobicContact CD2-CG2 3.87Å; L135-I289 HydrophobicContact CD1-CG2 4.03Å; F217-I289 HydrophobicContact CE2-CG1 4.38Å; F217-I289 HydrophobicContact CZ-CG1 4.11Å; L281-I289 HydrophobicContact CD2-CD1 3.76Å; L281-I289 HydrophobicContact CD2-CG1 4.27Å; T284-I289 HydrophobicContact CG2-CD1 4.46Å; T284-I289 HydrophobicContact CG2-CG1 3.87Å; P285-I289 PolarHBondContact O-N 3.39Å; D286-I289 PolarHBondContact O-N 2.85Å; I289-A291 VanDerWaalsContact C-N 3.34Å; I289-A291 PolarHBondContact O-N 3.15Å; I289-Y292 WeakPolarHBondContact O-CB 3.5Å; I289-Y292 PolarHBondContact O-N 2.94Å; I289-L293 PolarHBondContact O-N 2.98Å; I289-L293 VanDerWaalsContact O-N 3.1Å
290	H	96.8	Very high	94.5	Very high	16 Å²	16	28 Å²	28	7%	0.074	15%	0.147	C	C	.	.	H	α-helix	trans	-66.4	-34.5	175.7	-79.5	-77.8	0	0	0	113	D286 I288 Y292 L293 A294	D286-H290 PolarHBondContact O-CD2 3.21Å; D286-H290 VanDerWaalsContact O-CD2 3.27Å; D286-H290 PolarHBondContact O-N 3.35Å; I288-H290 VanDerWaalsContact C-N 3.35Å; I288-H290 PolarHBondContact O-N 3.31Å; H290-Y292 VanDerWaalsContact C-N 3.32Å; H290-L293 PolarHBondContact O-N 3.28Å; H290-A294 PolarHBondContact O-N 2.81Å
291	A	98.1	Very high	94.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.4	-35.8	172.5	0	0	0	0	0	112.5	P103 L106 I107 E287 I288 I289 A294 W295	P103-A291 HydrophobicContact CB-CB 4.13Å; L106-A291 HydrophobicContact CB-CB 4.13Å; L106-A291 HydrophobicContact CD1-CB 4.23Å; I107-A291 HydrophobicContact CD1-CB 3.85Å; I107-A291 HydrophobicContact CG1-CB 3.69Å; E287-A291 VanDerWaalsContact O-CB 3.26Å; E287-A291 WeakPolarHBondContact O-CB 3.47Å; E287-A291 PolarHBondContact O-N 3.39Å; I288-A291 WeakPolarHBondContact O-CB 3.5Å; I288-A291 PolarHBondContact O-N 2.78Å; I289-A291 VanDerWaalsContact C-N 3.34Å; I289-A291 PolarHBondContact O-N 3.15Å; A291-A294 PolarHBondContact O-N 3.21Å; A291-W295 WeakPolarHBondContact O-CB 3.37Å; A291-W295 PolarHBondContact O-N 3.34Å
292	Y	97.4	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-45.5	173.7	-179.4	-110.3	0	0	0	112.5	L135 L214 F217 E218 L221 I288 I289 H290 A294 W295 L296	L135-Y292 HydrophobicContact CD2-CD1 3.92Å; L135-Y292 HydrophobicContact CD2-CE1 4.04Å; L214-Y292 HydrophobicContact CD1-CD2 4.07Å; L214-Y292 HydrophobicContact CD1-CG 4.41Å; F217-Y292 HydrophobicContact CD1-CD1 4.43Å; F217-Y292 HydrophobicContact CD1-CD2 4.26Å; F217-Y292 AromaticContact CD1-CG 3.94Å; F217-Y292 HydrophobicContact CD1-CG 3.94Å; F217-Y292 AromaticContact CE1-CD1 3.84Å; F217-Y292 HydrophobicContact CE1-CD1 3.84Å; F217-Y292 HydrophobicContact CE1-CD2 4.46Å; F217-Y292 AromaticContact CE1-CG 3.78Å; F217-Y292 HydrophobicContact CE1-CG 3.78Å; E218-Y292 HydrophobicContact CB-CE2 4.15Å; E218-Y292 HydrophobicContact CG-CE2 3.84Å; L221-Y292 HydrophobicContact CD1-CD1 4.41Å; L221-Y292 HydrophobicContact CD1-CE1 3.86Å; I288-Y292 PolarHBondContact O-N 2.95Å; I289-Y292 WeakPolarHBondContact O-CB 3.5Å; I289-Y292 PolarHBondContact O-N 2.94Å; H290-Y292 VanDerWaalsContact C-N 3.32Å; Y292-A294 VanDerWaalsContact C-N 3.28Å; Y292-A294 PolarHBondContact O-N 3.21Å; Y292-W295 WeakPolarHBondContact O-CB 2.88Å; Y292-W295 PolarHBondContact O-N 3.01Å; Y292-W295 VanDerWaalsContact O-N 3.11Å; Y292-L296 HydrophobicContact CD1-CD1 4.12Å; Y292-L296 HydrophobicContact CE1-CD1 3.56Å; Y292-L296 HydrophobicContact CE1-CG 4.24Å; Y292-L296 HydrophobicContact CE2-CD1 4.37Å; Y292-L296 HydrophobicContact CE2-CD2 4.15Å; Y292-L296 HydrophobicContact CE2-CG 4.21Å; Y292-L296 WeakPolarHBondContact O-CG 3.33Å; Y292-L296 PolarHBondContact O-N 3.36Å
293	L	95.8	Very high	93.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-41	173.9	-60.6	-173.1	0	0	0	112	L97 L119 I123 L126 I289 H290 W295 V297	L97-L293 HydrophobicContact CD2-CB 4.09Å; L119-L293 HydrophobicContact CD1-CD1 3.68Å; I123-L293 HydrophobicContact CG1-CD2 4.41Å; L126-L293 HydrophobicContact CD1-CB 4.2Å; L126-L293 HydrophobicContact CD1-CD1 4.16Å; L126-L293 HydrophobicContact CD1-CD2 3.94Å; L126-L293 HydrophobicContact CD1-CG 4.32Å; I289-L293 PolarHBondContact O-N 2.98Å; I289-L293 VanDerWaalsContact O-N 3.1Å; H290-L293 PolarHBondContact O-N 3.28Å; L293-W295 VanDerWaalsContact C-N 3.35Å; L293-V297 WeakPolarHBondContact O-CG2 3.33Å; L293-V297 PolarHBondContact O-N 3.31Å
294	A	96.7	Very high	93.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-40.6	175.3	0	0	0	0	0	111.9	M93 L97 P103 L106 H290 A291 Y292 V297 L298	M93-A294 HydrophobicContact CE-CB 4.01Å; L97-A294 HydrophobicContact CD1-CB 4.01Å; P103-A294 HydrophobicContact CG-CB 4.12Å; L106-A294 HydrophobicContact CD1-CB 3.91Å; H290-A294 PolarHBondContact O-N 2.81Å; A291-A294 PolarHBondContact O-N 3.21Å; Y292-A294 VanDerWaalsContact C-N 3.28Å; Y292-A294 PolarHBondContact O-N 3.21Å; A294-V297 PolarHBondContact O-N 2.62Å; A294-L298 WeakPolarHBondContact O-CG 3.2Å; A294-L298 PolarHBondContact O-N 2.7Å
295	W	96.4	Very high	93.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-49.4	177.9	168.3	-124.5	0	0	0	112.1	P103 Y183 M187 F190 L214 A291 Y292 L293 V297 L298 L299	P103-W295 HydrophobicContact CG-CB 4.05Å; Y183-W295 HydrophobicContact CE2-CZ2 4.15Å; Y183-W295 PolarHBondContact OH-NE1 3.49Å; M187-W295 HydrophobicContact CB-CH2 4.23Å; M187-W295 HydrophobicContact CB-CZ2 4.34Å; M187-W295 HydrophobicContact CE-CD2 4.47Å; M187-W295 HydrophobicContact CG-CH2 3.9Å; M187-W295 HydrophobicContact CG-CZ2 3.51Å; F190-W295 HydrophobicContact CB-CH2 4.16Å; F190-W295 HydrophobicContact CB-CZ3 3.66Å; F190-W295 HydrophobicContact CD1-CZ3 4.27Å; F190-W295 HydrophobicContact CG-CH2 4.23Å; F190-W295 HydrophobicContact CG-CZ3 4.08Å; L214-W295 HydrophobicContact CD2-CB 3.8Å; L214-W295 HydrophobicContact CD2-CG 3.97Å; A291-W295 WeakPolarHBondContact O-CB 3.37Å; A291-W295 PolarHBondContact O-N 3.34Å; Y292-W295 WeakPolarHBondContact O-CB 2.88Å; Y292-W295 PolarHBondContact O-N 3.01Å; Y292-W295 VanDerWaalsContact O-N 3.11Å; L293-W295 VanDerWaalsContact C-N 3.35Å; W295-V297 VanDerWaalsContact C-N 3.29Å; W295-V297 PolarHBondContact O-N 3.09Å; W295-L298 PolarHBondContact O-N 3.3Å; W295-L298 VanDerWaalsContact O-N 3.1Å; W295-L299 HydrophobicContact CH2-CD1 3.92Å; W295-L299 HydrophobicContact CZ2-CB 4.45Å; W295-L299 HydrophobicContact CZ2-CD1 3.94Å; W295-L299 HydrophobicContact CZ2-CD2 4.23Å; W295-L299 HydrophobicContact CZ2-CG 4.46Å; W295-L299 WeakPolarHBondContact O-CB 3.09Å; W295-L299 PolarHBondContact O-N 2.85Å
296	L	91.9	Very high	92.8	Very high	15 Å²	15	13.1 Å²	13.1	8%	0.079	7%	0.066	C	C	.	.	H	α-helix	trans	-59.1	-40.7	177.5	-65.5	177.4	0	0	0	112.3	Y292 L299 D300	Y292-L296 HydrophobicContact CD1-CD1 4.12Å; Y292-L296 HydrophobicContact CE1-CD1 3.56Å; Y292-L296 HydrophobicContact CE1-CG 4.24Å; Y292-L296 HydrophobicContact CE2-CD1 4.37Å; Y292-L296 HydrophobicContact CE2-CD2 4.15Å; Y292-L296 HydrophobicContact CE2-CG 4.21Å; Y292-L296 WeakPolarHBondContact O-CG 3.33Å; Y292-L296 PolarHBondContact O-N 3.36Å; L296-L299 PolarHBondContact O-N 3.21Å; L296-D300 WeakPolarHBondContact O-CB 2.97Å; L296-D300 PolarHBondContact O-N 3.25Å
297	V	92.6	Very high	92.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-64.3	-41.7	175.5	171.9	0	0	0	0	111.6	L89 L92 M93 L97 L126 L132 L293 A294 W295 Q301	L89-V297 HydrophobicContact CD1-CG1 3.92Å; L92-V297 HydrophobicContact CD2-CG1 3.99Å; M93-V297 HydrophobicContact CG-CG1 3.84Å; L97-V297 HydrophobicContact CD1-CG2 4.18Å; L126-V297 HydrophobicContact CD2-CG2 3.56Å; L132-V297 HydrophobicContact CD1-CB 4.33Å; L132-V297 HydrophobicContact CD1-CG2 3.65Å; L293-V297 WeakPolarHBondContact O-CG2 3.33Å; L293-V297 PolarHBondContact O-N 3.31Å; A294-V297 PolarHBondContact O-N 2.62Å; W295-V297 VanDerWaalsContact C-N 3.29Å; W295-V297 PolarHBondContact O-N 3.09Å; V297-Q301 HydrophobicContact CG1-CG 4.15Å; V297-Q301 WeakPolarHBondContact O-CB 3.43Å; V297-Q301 WeakPolarHBondContact O-CG 3.23Å; V297-Q301 PolarHBondContact O-N 3Å; V297-Q301 VanDerWaalsContact O-N 3.1Å
298	L	94.1	Very high	92.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-45.5	176.5	-64.7	-175.4	0	0	0	111.1	L89 M93 P103 W194 A294 W295 D300 F302	L89-L298 HydrophobicContact CD2-CD2 3.95Å; M93-L298 HydrophobicContact CE-CD2 4.18Å; M93-L298 HydrophobicContact SD-CD2 3.83Å; P103-L298 HydrophobicContact CG-CD1 4.02Å; W194-L298 HydrophobicContact CB-CD1 4.05Å; W194-L298 HydrophobicContact CB-CD2 4.48Å; W194-L298 HydrophobicContact CD2-CD2 3.58Å; W194-L298 HydrophobicContact CE3-CD2 3.96Å; W194-L298 HydrophobicContact CG-CD1 3.87Å; W194-L298 HydrophobicContact CG-CD2 3.81Å; W194-L298 HydrophobicContact CZ2-CD2 4.28Å; W194-L298 HydrophobicContact CZ3-CD2 4.45Å; A294-L298 WeakPolarHBondContact O-CG 3.2Å; A294-L298 PolarHBondContact O-N 2.7Å; W295-L298 PolarHBondContact O-N 3.3Å; W295-L298 VanDerWaalsContact O-N 3.1Å; L298-D300 PolarHBondContact O-N 2.85Å; L298-F302 HydrophobicContact CB-CD1 4.47Å; L298-F302 HydrophobicContact CB-CE1 4.06Å; L298-F302 HydrophobicContact CD2-CE1 4.06Å; L298-F302 WeakPolarHBondContact O-CD1 3.29Å; L298-F302 WeakPolarHBondContact O-CG 3.5Å; L298-F302 PolarHBondContact O-N 2.71Å
299	L	89.3	Confident	91.9	Very high	18 Å²	18	19.9 Å²	19.9	9%	0.094	9%	0.093	C	C	.	.	H	α-helix	trans	-56.8	-52.1	-177.8	-175.6	62.3	0	0	0	111.3	G160 F190 W295 L296 Y313 F317	G160-L299 WeakPolarHBondContact O-CD2 3.29Å; F190-L299 HydrophobicContact CE1-CD1 4.18Å; F190-L299 HydrophobicContact CZ-CD1 4.23Å; W295-L299 HydrophobicContact CH2-CD1 3.92Å; W295-L299 HydrophobicContact CZ2-CB 4.45Å; W295-L299 HydrophobicContact CZ2-CD1 3.94Å; W295-L299 HydrophobicContact CZ2-CD2 4.23Å; W295-L299 HydrophobicContact CZ2-CG 4.46Å; W295-L299 WeakPolarHBondContact O-CB 3.09Å; W295-L299 PolarHBondContact O-N 2.85Å; L296-L299 PolarHBondContact O-N 3.21Å; L299-Y313 VanDerWaalsContact O-CD2 3.23Å; L299-Y313 WeakPolarHBondContact O-CD2 3.22Å; L299-Y313 WeakPolarHBondContact O-CE2 3.28Å; L299-F317 HydrophobicContact CD1-CD2 4.19Å; L299-F317 HydrophobicContact CD1-CE1 4.29Å; L299-F317 HydrophobicContact CD1-CE2 3.28Å; L299-F317 HydrophobicContact CD1-CZ 3.36Å
300	D	83.4	Confident	91.4	Very high	42 Å²	42	21 Å²	21	23%	0.225	10%	0.097	C	C	.	.	H	α-helix	trans	-75.6	-35.7	-176	175.6	64.3	0	0	0	113.6	L132 L296 L298 K303	L132-D300 HydrophobicContact CD2-CB 3.56Å; L132-D300 WeakPolarHBondContact CD2-OD2 3.41Å; L296-D300 WeakPolarHBondContact O-CB 2.97Å; L296-D300 PolarHBondContact O-N 3.25Å; L298-D300 PolarHBondContact O-N 2.85Å; D300-K303 IonicContact OD1-NZ 3.86Å
301	Q	88.3	Confident	90.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-88	-11.8	-169.5	-59.6	-69	-48.1	0	0	114.2	L89 V297 K303 F304 L481	L89-Q301 HydrophobicContact CD1-CB 3.73Å; L89-Q301 HydrophobicContact CD1-CG 4.06Å; L89-Q301 HydrophobicContact CD2-CB 4.22Å; V297-Q301 HydrophobicContact CG1-CG 4.15Å; V297-Q301 WeakPolarHBondContact O-CB 3.43Å; V297-Q301 WeakPolarHBondContact O-CG 3.23Å; V297-Q301 PolarHBondContact O-N 3Å; V297-Q301 VanDerWaalsContact O-N 3.1Å; Q301-K303 PolarHBondContact O-N 3.14Å; Q301-F304 PolarHBondContact O-N 3.49Å; Q301-F304 VanDerWaalsContact O-N 3.14Å; Q301-L481 HydrophobicContact CB-CD1 4.42Å
302	F	90.4	Very high	90.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-60.2	-31.8	-178.4	-95.9	35.6	0	0	0	113.4	L89 F190 L193 W194 L298 F304 L305 Y309 R310 L312	L89-F302 HydrophobicContact CD2-CD1 4.31Å; L89-F302 HydrophobicContact CD2-CE1 4.33Å; F190-F302 HydrophobicContact CB-CE2 4.12Å; F190-F302 HydrophobicContact CB-CZ 4.43Å; F190-F302 HydrophobicContact CD1-CB 4.42Å; F190-F302 HydrophobicContact CD1-CD1 4.25Å; F190-F302 AromaticContact CD1-CD2 3.28Å; F190-F302 HydrophobicContact CD1-CD2 3.28Å; F190-F302 HydrophobicContact CD1-CE1 4.35Å; F190-F302 AromaticContact CD1-CE2 3.38Å; F190-F302 HydrophobicContact CD1-CE2 3.38Å; F190-F302 AromaticContact CD1-CG 3.74Å; F190-F302 HydrophobicContact CD1-CG 3.74Å; F190-F302 AromaticContact CD1-CZ 3.93Å; F190-F302 HydrophobicContact CD1-CZ 3.93Å; F190-F302 HydrophobicContact CE1-CB 3.77Å; F190-F302 HydrophobicContact CE1-CD1 4.41Å; F190-F302 AromaticContact CE1-CD2 3.34Å; F190-F302 HydrophobicContact CE1-CD2 3.34Å; F190-F302 AromaticContact CE1-CE2 3.96Å; F190-F302 HydrophobicContact CE1-CE2 3.96Å; F190-F302 AromaticContact CE1-CG 3.59Å; F190-F302 HydrophobicContact CE1-CG 3.59Å; F190-F302 HydrophobicContact CG-CD2 4.04Å; F190-F302 AromaticContact CG-CE2 3.82Å; F190-F302 HydrophobicContact CG-CE2 3.82Å; F190-F302 HydrophobicContact CG-CZ 4.47Å; F190-F302 HydrophobicContact CZ-CD2 4.12Å; L193-F302 HydrophobicContact CB-CE2 4.48Å; L193-F302 HydrophobicContact CD2-CE2 4.13Å; W194-F302 HydrophobicContact CB-CZ 4.18Å; W194-F302 HydrophobicContact CE3-CE1 4.32Å; L298-F302 HydrophobicContact CB-CD1 4.47Å; L298-F302 HydrophobicContact CB-CE1 4.06Å; L298-F302 HydrophobicContact CD2-CE1 4.06Å; L298-F302 WeakPolarHBondContact O-CD1 3.29Å; L298-F302 WeakPolarHBondContact O-CG 3.5Å; L298-F302 PolarHBondContact O-N 2.71Å; F302-F304 PolarHBondContact O-N 2.95Å; F302-L305 HydrophobicContact CD1-CD1 4.21Å; F302-L305 PolarHBondContact O-N 3.24Å; F302-L305 VanDerWaalsContact O-N 3.14Å; F302-Y309 HydrophobicContact CD1-CD1 4.15Å; F302-Y309 AromaticContact CD2-CD1 3.93Å; F302-Y309 HydrophobicContact CD2-CD1 3.93Å; F302-Y309 HydrophobicContact CD2-CG 4.45Å; F302-Y309 AromaticContact CE1-CD1 3.87Å; F302-Y309 HydrophobicContact CE1-CD1 3.87Å; F302-Y309 HydrophobicContact CE1-CE1 4.46Å; F302-Y309 AromaticContact CE2-CD1 3.65Å; F302-Y309 HydrophobicContact CE2-CD1 3.65Å; F302-Y309 HydrophobicContact CE2-CE1 4.42Å; F302-Y309 HydrophobicContact CG-CD1 4.19Å; F302-Y309 AromaticContact CZ-CD1 3.63Å; F302-Y309 HydrophobicContact CZ-CD1 3.63Å; F302-Y309 HydrophobicContact CZ-CE1 4.11Å; F302-R310 PolarHBondContact O-N 3.34Å; F302-L312 HydrophobicContact CD2-CD2 4.45Å; F302-L312 HydrophobicContact CE2-CD2 4.15Å
303	K	84.3	Confident	89.9	Confident	48 Å²	48	25.6 Å²	25.6	21%	0.209	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-64.4	-20.3	178.1	67.5	-172.7	169.9	-169.6	0	114.6	D300 Q301 R310 Y313	D300-K303 IonicContact OD1-NZ 3.86Å; Q301-K303 PolarHBondContact O-N 3.14Å; K303-R310 WeakPolarHBondContact O-CD 3.5Å; K303-R310 WeakPolarHBondContact O-CG 3.45Å; K303-Y313 HydrophobicContact CB-CD1 3.77Å; K303-Y313 HydrophobicContact CB-CE1 4.04Å; K303-Y313 HydrophobicContact CB-CG 4.05Å; K303-Y313 HydrophobicContact CD-CE1 3.95Å; K303-Y313 HydrophobicContact CD-CE2 4.42Å
304	F	87.2	Confident	89	Confident	17 Å²	17	26.6 Å²	26.6	8%	0.075	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-95.4	-0.4	178.6	-54.7	-74.2	0	0	0	113.7	Q301 F302 Y336 F480 L481 N484	Q301-F304 PolarHBondContact O-N 3.49Å; Q301-F304 VanDerWaalsContact O-N 3.14Å; F302-F304 PolarHBondContact O-N 2.95Å; F304-Y336 HydrophobicContact CE1-CD2 4.07Å; F304-Y336 AromaticContact CE1-CE2 3.72Å; F304-Y336 HydrophobicContact CE1-CE2 3.72Å; F304-Y336 HydrophobicContact CZ-CE2 4.36Å; F304-F480 HydrophobicContact CB-CD1 4.23Å; F304-F480 HydrophobicContact CB-CE1 4.36Å; F304-F480 HydrophobicContact CD1-CD1 4.12Å; F304-F480 AromaticContact CD1-CE1 3.54Å; F304-F480 HydrophobicContact CD1-CE1 3.54Å; F304-F480 AromaticContact CD1-CZ 3.89Å; F304-F480 HydrophobicContact CD1-CZ 3.89Å; F304-F480 HydrophobicContact CE1-CE1 4.37Å; F304-F480 HydrophobicContact CE1-CZ 4.33Å; F304-F480 HydrophobicContact CG-CE1 4.42Å; F304-L481 HydrophobicContact CB-CB 4.07Å; F304-L481 HydrophobicContact CB-CD1 4.19Å; F304-L481 HydrophobicContact CB-CG 4.29Å; F304-N484 HydrophobicContact CD1-CB 3.94Å; F304-N484 HydrophobicContact CE1-CB 3.98Å; F304-N484 VanDerWaalsContact CE1-CG 3.48Å; F304-N484 WeakPolarHBondContact CE2-ND2 3.27Å; F304-N484 HydrophobicContact CG-CB 4.3Å; F304-N484 HydrophobicContact CZ-CB 4.35Å; F304-N484 VanDerWaalsContact CZ-ND2 3.34Å; F304-N484 WeakPolarHBondContact CZ-ND2 3.38Å; F304-N484 WeakPolarHBondContact CZ-OD1 3.48Å
305	L	91	Very high	88.2	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.016	14%	0.142	C	C	.	.	S	Bend	trans	-94.4	-176.8	177.4	-68.5	-176.9	0	0	0	111.8	V81 L89 F302 Y309 L481	V81-L305 VanDerWaalsContact CG1-C 3.41Å; V81-L305 WeakPolarHBondContact CG1-O 3.25Å; L89-L305 HydrophobicContact CB-CD1 4.14Å; L89-L305 HydrophobicContact CB-CD2 4.09Å; L89-L305 HydrophobicContact CD2-CD1 3.74Å; F302-L305 HydrophobicContact CD1-CD1 4.21Å; F302-L305 PolarHBondContact O-N 3.24Å; F302-L305 VanDerWaalsContact O-N 3.14Å; L305-Y309 HydrophobicContact CB-CD2 4.02Å; L305-Y309 HydrophobicContact CB-CG 3.83Å; L305-Y309 HydrophobicContact CD1-CD1 3.77Å; L305-Y309 HydrophobicContact CD1-CD2 4.39Å; L305-Y309 HydrophobicContact CD1-CE1 4.33Å; L305-Y309 HydrophobicContact CD1-CG 3.84Å; L305-L481 HydrophobicContact CD2-CD1 3.71Å; L305-L481 HydrophobicContact CG-CD1 4.21Å
306	G	88.7	Confident	87.2	Confident	4 Å²	4	31 Å²	31	4%	0.041	14%	0.144	C	C	.	.			trans	-60.9	167.1	178.6	0	0	0	0	0	113.3	D82 D308 Y309 R310	D82-G306 WeakPolarHBondContact OD1-CA 3.5Å; G306-D308 VanDerWaalsContact C-N 3.3Å; G306-D308 PolarHBondContact O-N 3.42Å; G306-D308 VanDerWaalsContact O-N 3.1Å; G306-Y309 WeakPolarHBondContact O-CB 3.22Å; G306-Y309 PolarHBondContact O-N 3.04Å; G306-R310 PolarHBondContact O-N 2.91Å; G306-R310 VanDerWaalsContact O-N 3.09Å
307	R	89	Confident	86	Confident	121 Å²	121	30.4 Å²	30.4	46%	0.457	14%	0.142	S	C	.	.	H	α-helix	trans	-47.6	-45.4	-169.5	-172.3	-179.5	-62.3	156.8	7.5	114	D82 Y309 R310 Q311	D82-R307 PolarHBondContact OD1-N 3.46Å; R307-Y309 VanDerWaalsContact C-N 3.28Å; R307-Y309 PolarHBondContact O-N 3.39Å; R307-R310 PolarHBondContact O-N 2.97Å; R307-Q311 WeakPolarHBondContact O-CB 3.25Å; R307-Q311 PolarHBondContact O-N 3.18Å
308	D	90.5	Very high	84.4	Confident	111 Å²	111	33.3 Å²	33.3	59%	0.594	16%	0.155	S	C	*	.	H	α-helix	trans	-62.6	-34.8	-177.8	-68.2	-11.1	0	0	0	112.6	L193 G306 L312	L193-D308 HydrophobicContact CD2-CB 4.49Å; L193-D308 WeakPolarHBondContact CD2-O 3.39Å; G306-D308 VanDerWaalsContact C-N 3.3Å; G306-D308 PolarHBondContact O-N 3.42Å; G306-D308 VanDerWaalsContact O-N 3.1Å; D308-L312 PolarHBondContact O-N 3.44Å
309	Y	92.6	Very high	82.3	Confident	19 Å²	19	36 Å²	36	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-78.2	-47.3	178.4	-61.2	-93.2	0	0	0	110.9	Q86 L193 F302 L305 G306 R307 L312 Y313	Q86-Y309 VanDerWaalsContact CD-OH 3.24Å; Q86-Y309 HydrophobicContact CG-CE1 3.97Å; Q86-Y309 HydrophobicContact CG-CE2 4.28Å; Q86-Y309 WeakPolarHBondContact CG-OH 3.49Å; Q86-Y309 PolarHBondContact NE2-OH 3.03Å; L193-Y309 HydrophobicContact CD1-CE1 4.47Å; L193-Y309 HydrophobicContact CD2-CD1 3.76Å; L193-Y309 HydrophobicContact CD2-CE1 3.98Å; L193-Y309 HydrophobicContact CD2-CG 4.06Å; L193-Y309 HydrophobicContact CG-CD1 3.98Å; L193-Y309 HydrophobicContact CG-CE1 3.66Å; F302-Y309 HydrophobicContact CD1-CD1 4.15Å; F302-Y309 AromaticContact CD2-CD1 3.93Å; F302-Y309 HydrophobicContact CD2-CD1 3.93Å; F302-Y309 HydrophobicContact CD2-CG 4.45Å; F302-Y309 AromaticContact CE1-CD1 3.87Å; F302-Y309 HydrophobicContact CE1-CD1 3.87Å; F302-Y309 HydrophobicContact CE1-CE1 4.46Å; F302-Y309 AromaticContact CE2-CD1 3.65Å; F302-Y309 HydrophobicContact CE2-CD1 3.65Å; F302-Y309 HydrophobicContact CE2-CE1 4.42Å; F302-Y309 HydrophobicContact CG-CD1 4.19Å; F302-Y309 AromaticContact CZ-CD1 3.63Å; F302-Y309 HydrophobicContact CZ-CD1 3.63Å; F302-Y309 HydrophobicContact CZ-CE1 4.11Å; L305-Y309 HydrophobicContact CB-CD2 4.02Å; L305-Y309 HydrophobicContact CB-CG 3.83Å; L305-Y309 HydrophobicContact CD1-CD1 3.77Å; L305-Y309 HydrophobicContact CD1-CD2 4.39Å; L305-Y309 HydrophobicContact CD1-CE1 4.33Å; L305-Y309 HydrophobicContact CD1-CG 3.84Å; G306-Y309 WeakPolarHBondContact O-CB 3.22Å; G306-Y309 PolarHBondContact O-N 3.04Å; R307-Y309 VanDerWaalsContact C-N 3.28Å; R307-Y309 PolarHBondContact O-N 3.39Å; Y309-L312 PolarHBondContact O-N 3.31Å; Y309-Y313 PolarHBondContact O-N 3.41Å
310	R	85.8	Confident	80.3	Confident	23 Å²	23	38.9 Å²	38.9	9%	0.087	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-42.5	-178.8	-176.8	179.9	73.6	-145	-2.4	111.6	E78 F302 K303 G306 R307 L312 Y313 Y314	E78-R310 IonicContact OE1-CZ 3.26Å; E78-R310 IonicContact OE1-NH1 3.06Å; E78-R310 IonicContact OE1-NH2 3.87Å; E78-R310 PolarHBondContact OE1-NH2 2.82Å; F302-R310 PolarHBondContact O-N 3.34Å; K303-R310 WeakPolarHBondContact O-CD 3.5Å; K303-R310 WeakPolarHBondContact O-CG 3.45Å; G306-R310 PolarHBondContact O-N 2.91Å; G306-R310 VanDerWaalsContact O-N 3.09Å; R307-R310 PolarHBondContact O-N 2.97Å; R310-L312 VanDerWaalsContact C-N 3.33Å; R310-L312 PolarHBondContact O-N 2.99Å; R310-Y313 WeakPolarHBondContact O-CB 3.24Å; R310-Y313 PolarHBondContact O-N 2.89Å; R310-Y314 HydrophobicContact CG-CD2 3.79Å; R310-Y314 HydrophobicContact CG-CE2 3.27Å; R310-Y314 WeakPolarHBondContact O-CD2 3.49Å; R310-Y314 PolarHBondContact O-N 2.84Å
311	Q	84.9	Confident	78.7	Confident	89 Å²	89	39.8 Å²	39.8	42%	0.416	19%	0.185	S	C	.	.	H	α-helix	trans	-60.9	-44.1	176	-173.4	63.1	53.3	0	0	111.1	R307 Y313 Y314 D315	R307-Q311 WeakPolarHBondContact O-CB 3.25Å; R307-Q311 PolarHBondContact O-N 3.18Å; Q311-Y313 VanDerWaalsContact C-N 3.26Å; Q311-Y313 PolarHBondContact O-N 2.81Å; Q311-Y314 PolarHBondContact O-N 2.85Å; Q311-Y314 VanDerWaalsContact O-N 3.15Å; Q311-D315 PolarHBondContact NE2-OD1 3.5Å; Q311-D315 PolarHBondContact O-N 3.04Å
312	L	89.2	Confident	76.5	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-37.9	177.3	-176.2	65.1	0	0	0	111.9	E189 F190 L193 L199 F302 D308 Y309 R310 Y316	E189-L312 HydrophobicContact CB-CD1 3.94Å; E189-L312 HydrophobicContact CB-CD2 4.19Å; F190-L312 HydrophobicContact CB-CD2 4.49Å; F190-L312 HydrophobicContact CD2-CD2 3.63Å; F190-L312 HydrophobicContact CD2-CG 3.81Å; F190-L312 HydrophobicContact CE2-CD2 4.07Å; F190-L312 HydrophobicContact CE2-CG 3.74Å; F190-L312 HydrophobicContact CG-CD2 4.06Å; L193-L312 HydrophobicContact CB-CD2 4.3Å; L193-L312 HydrophobicContact CD2-CB 4.47Å; L193-L312 HydrophobicContact CD2-CD2 3.89Å; L199-L312 HydrophobicContact CD1-CD1 4.35Å; L199-L312 HydrophobicContact CD2-CD2 4.23Å; F302-L312 HydrophobicContact CD2-CD2 4.45Å; F302-L312 HydrophobicContact CE2-CD2 4.15Å; D308-L312 PolarHBondContact O-N 3.44Å; Y309-L312 PolarHBondContact O-N 3.31Å; R310-L312 VanDerWaalsContact C-N 3.33Å; R310-L312 PolarHBondContact O-N 2.99Å; L312-Y316 HydrophobicContact CD1-CD2 4.15Å; L312-Y316 HydrophobicContact CD1-CE2 3.79Å; L312-Y316 WeakPolarHBondContact O-CD2 3.37Å
313	Y	85.7	Confident	74.5	Confident	22 Å²	22	54.2 Å²	54.2	9%	0.086	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-49.6	172.9	174.7	-84.5	0	0	0	111.5	F190 L299 K303 Y309 R310 Q311 D315 Y316 F317 E318	F190-Y313 HydrophobicContact CZ-CD2 4.32Å; L299-Y313 VanDerWaalsContact O-CD2 3.23Å; L299-Y313 WeakPolarHBondContact O-CD2 3.22Å; L299-Y313 WeakPolarHBondContact O-CE2 3.28Å; K303-Y313 HydrophobicContact CB-CD1 3.77Å; K303-Y313 HydrophobicContact CB-CE1 4.04Å; K303-Y313 HydrophobicContact CB-CG 4.05Å; K303-Y313 HydrophobicContact CD-CE1 3.95Å; K303-Y313 HydrophobicContact CD-CE2 4.42Å; Y309-Y313 PolarHBondContact O-N 3.41Å; R310-Y313 WeakPolarHBondContact O-CB 3.24Å; R310-Y313 PolarHBondContact O-N 2.89Å; Q311-Y313 VanDerWaalsContact C-N 3.26Å; Q311-Y313 PolarHBondContact O-N 2.81Å; Y313-D315 PolarHBondContact O-N 3.14Å; Y313-Y316 PolarHBondContact O-N 2.82Å; Y313-F317 HydrophobicContact CD1-CB 4.49Å; Y313-F317 AromaticContact CD2-CD2 3.79Å; Y313-F317 HydrophobicContact CD2-CD2 3.79Å; Y313-F317 HydrophobicContact CE1-CB 4.13Å; Y313-F317 HydrophobicContact CE2-CB 4.23Å; Y313-F317 HydrophobicContact CE2-CD2 4.01Å; Y313-F317 HydrophobicContact CE2-CG 4.35Å; Y313-F317 HydrophobicContact CG-CD2 4.25Å; Y313-F317 WeakPolarHBondContact O-CB 3.2Å; Y313-F317 VanDerWaalsContact O-CD2 3.32Å; Y313-F317 WeakPolarHBondContact O-CD2 3.49Å; Y313-F317 PolarHBondContact O-N 3.07Å; Y313-E318 HydrophobicContact CE1-CG 4.18Å; Y313-E318 WeakPolarHBondContact CE1-OE1 3.42Å
314	Y	77.1	Confident	73.3	Confident	21 Å²	21	52.9 Å²	52.9	8%	0.082	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-40.1	180	-63.7	-33.6	0	0	0	112.8	R310 Q311 Y316 F317 E318 H320	R310-Y314 HydrophobicContact CG-CD2 3.79Å; R310-Y314 HydrophobicContact CG-CE2 3.27Å; R310-Y314 WeakPolarHBondContact O-CD2 3.49Å; R310-Y314 PolarHBondContact O-N 2.84Å; Q311-Y314 PolarHBondContact O-N 2.85Å; Q311-Y314 VanDerWaalsContact O-N 3.15Å; Y314-Y316 PolarHBondContact O-N 3.07Å; Y314-F317 PolarHBondContact O-N 3.38Å; Y314-E318 CarbonylContact C-O 3.47Å; Y314-E318 HydrophobicContact CD1-CB 3.75Å; Y314-E318 HydrophobicContact CD1-CG 4.09Å; Y314-E318 VanDerWaalsContact CD1-OE2 3.25Å; Y314-E318 WeakPolarHBondContact CD1-OE2 3.4Å; Y314-E318 HydrophobicContact CE1-CB 4.4Å; Y314-E318 VanDerWaalsContact CE1-CD 3.46Å; Y314-E318 HydrophobicContact CE1-CG 4.37Å; Y314-E318 WeakPolarHBondContact CE1-OE2 3.44Å; Y314-E318 CarbonylContact O-C 3.57Å; Y314-E318 PolarHBondContact O-N 3.02Å; Y314-H320 AromaticContact CD1-CE1 3.35Å; Y314-H320 WeakPolarHBondContact CD1-CE1 3.49Å; Y314-H320 AromaticContact CD1-ND1 3.67Å; Y314-H320 AromaticContact CD2-CD2 3.99Å; Y314-H320 AromaticContact CD2-CE1 3.25Å; Y314-H320 WeakPolarHBondContact CD2-CE1 3.24Å; Y314-H320 AromaticContact CD2-ND1 3.57Å; Y314-H320 AromaticContact CD2-NE2 3.48Å; Y314-H320 WeakPolarHBondContact CD2-NE2 3.45Å; Y314-H320 AromaticContact CE1-CE1 3.38Å; Y314-H320 WeakPolarHBondContact CE1-CE1 3.32Å; Y314-H320 AromaticContact CE2-CE1 3.22Å; Y314-H320 WeakPolarHBondContact CE2-CE1 3.49Å; Y314-H320 AromaticContact CE2-NE2 3.22Å; Y314-H320 WeakPolarHBondContact CE2-NE2 3.36Å; Y314-H320 AromaticContact CG-CE1 3.3Å; Y314-H320 AromaticContact CG-ND1 3.36Å; Y314-H320 AromaticContact CZ-CE1 3.29Å; Y314-H320 AromaticContact CZ-NE2 3.59Å
315	D	79.8	Confident	72.1	Confident	79 Å²	79	60 Å²	60	42%	0.422	29%	0.286	S	S	.	.	H	α-helix	trans	-52.6	-32.3	177.4	-68.6	-13.7	0	0	0	112.9	Q311 Y313	Q311-D315 PolarHBondContact NE2-OD1 3.5Å; Q311-D315 PolarHBondContact O-N 3.04Å; Y313-D315 PolarHBondContact O-N 3.14Å
316	Y	76.4	Confident	70.8	Confident	12 Å²	12	60.1 Å²	60.1	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-102	-29.3	-179.3	-77	-72.8	0	0	0	115.1	K185 A186 E189 F190 L312 Y313 Y314 G350 L352	K185-Y316 WeakPolarHBondContact CE-OH 3.49Å; K185-Y316 WeakPolarHBondContact CG-OH 3.37Å; A186-Y316 HydrophobicContact CB-CD1 3.56Å; A186-Y316 HydrophobicContact CB-CD2 3.78Å; A186-Y316 HydrophobicContact CB-CE1 3.63Å; A186-Y316 HydrophobicContact CB-CE2 3.87Å; A186-Y316 HydrophobicContact CB-CG 3.63Å; E189-Y316 VanDerWaalsContact CD-OH 3.23Å; E189-Y316 WeakPolarHBondContact OE2-CE2 3.22Å; E189-Y316 PolarHBondContact OE2-OH 3.44Å; F190-Y316 HydrophobicContact CE2-CD2 4.15Å; L312-Y316 HydrophobicContact CD1-CD2 4.15Å; L312-Y316 HydrophobicContact CD1-CE2 3.79Å; L312-Y316 WeakPolarHBondContact O-CD2 3.37Å; Y313-Y316 PolarHBondContact O-N 2.82Å; Y314-Y316 PolarHBondContact O-N 3.07Å; Y316-G350 WeakPolarHBondContact O-CA 3.4Å; Y316-L352 HydrophobicContact CD1-CD1 3.62Å; Y316-L352 HydrophobicContact CD1-CD2 4.43Å; Y316-L352 HydrophobicContact CD1-CG 3.86Å; Y316-L352 HydrophobicContact CG-CD1 4.17Å
317	F	65.7	Low	69.9	Low	4 Å²	4	62.6 Å²	62.6	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-125	-14.3	-164.3	-58.8	-63.1	0	0	0	114.9	F190 L299 Y313 Y314 L347 G348 L352	F190-F317 AromaticContact CE2-CE2 3.9Å; F190-F317 HydrophobicContact CE2-CE2 3.9Å; F190-F317 HydrophobicContact CZ-CD2 4.17Å; F190-F317 AromaticContact CZ-CE2 3.7Å; F190-F317 HydrophobicContact CZ-CE2 3.7Å; L299-F317 HydrophobicContact CD1-CD2 4.19Å; L299-F317 HydrophobicContact CD1-CE1 4.29Å; L299-F317 HydrophobicContact CD1-CE2 3.28Å; L299-F317 HydrophobicContact CD1-CZ 3.36Å; Y313-F317 HydrophobicContact CD1-CB 4.49Å; Y313-F317 AromaticContact CD2-CD2 3.79Å; Y313-F317 HydrophobicContact CD2-CD2 3.79Å; Y313-F317 HydrophobicContact CE1-CB 4.13Å; Y313-F317 HydrophobicContact CE2-CB 4.23Å; Y313-F317 HydrophobicContact CE2-CD2 4.01Å; Y313-F317 HydrophobicContact CE2-CG 4.35Å; Y313-F317 HydrophobicContact CG-CD2 4.25Å; Y313-F317 WeakPolarHBondContact O-CB 3.2Å; Y313-F317 VanDerWaalsContact O-CD2 3.32Å; Y313-F317 WeakPolarHBondContact O-CD2 3.49Å; Y313-F317 PolarHBondContact O-N 3.07Å; Y314-F317 PolarHBondContact O-N 3.38Å; F317-L347 HydrophobicContact CB-CD2 4.15Å; F317-L347 HydrophobicContact CD1-CD1 3.75Å; F317-L347 HydrophobicContact CD1-CD2 3.34Å; F317-L347 HydrophobicContact CD1-CG 4.19Å; F317-L347 HydrophobicContact CE1-CD1 3.87Å; F317-L347 HydrophobicContact CE1-CD2 4.05Å; F317-L347 HydrophobicContact CG-CD2 4.02Å; F317-G348 CarbonylContact O-C 3.58Å; F317-L352 HydrophobicContact CD1-CD1 4.35Å; F317-L352 HydrophobicContact CE1-CD1 3.76Å; F317-L352 HydrophobicContact CZ-CD1 4.14Å
318	E	59.6	Low	69.4	Low	62 Å²	62	58.2 Å²	58.2	29%	0.29	30%	0.296	S	S	.	.			trans	-146.6	125.3	175.5	-67	177.4	-158.6	0	0	112.2	Y313 Y314 H320 K349	Y313-E318 HydrophobicContact CE1-CG 4.18Å; Y313-E318 WeakPolarHBondContact CE1-OE1 3.42Å; Y314-E318 CarbonylContact C-O 3.47Å; Y314-E318 HydrophobicContact CD1-CB 3.75Å; Y314-E318 HydrophobicContact CD1-CG 4.09Å; Y314-E318 VanDerWaalsContact CD1-OE2 3.25Å; Y314-E318 WeakPolarHBondContact CD1-OE2 3.4Å; Y314-E318 HydrophobicContact CE1-CB 4.4Å; Y314-E318 VanDerWaalsContact CE1-CD 3.46Å; Y314-E318 HydrophobicContact CE1-CG 4.37Å; Y314-E318 WeakPolarHBondContact CE1-OE2 3.44Å; Y314-E318 CarbonylContact O-C 3.57Å; Y314-E318 PolarHBondContact O-N 3.02Å; E318-H320 PolarHBondContact O-N 2.61Å; E318-H320 IonicContact OE2-CE1 2.72Å; E318-H320 PolarHBondContact OE2-CE1 2.92Å; E318-H320 IonicContact OE2-ND1 3.16Å; E318-K349 CarbonylContact C-O 3.52Å; E318-K349 VanDerWaalsContact C-O 3.28Å; E318-K349 WeakPolarHBondContact CA-O 3.5Å
319	N	49.6	Very low	69.2	Low	57 Å²	57	54.1 Å²	54.1	31%	0.305	27%	0.272	S	S	.	.			trans	-75.3	91.9	177.4	-76.8	-38.9	0	0	0	107.9	E321 K349 R354	N319-E321 PolarHBondContact O-N 3.34Å; N319-K349 WeakPolarHBondContact CA-O 3.42Å; N319-K349 HydrophobicContact CB-CB 4.27Å; N319-K349 WeakPolarHBondContact CB-O 3.44Å; N319-K349 PolarHBondContact N-O 2.68Å; N319-K349 PolarHBondContact ND2-O 2.6Å; N319-K349 PolarHBondContact OD1-O 2.89Å; N319-R354 VanDerWaalsContact CG-NH2 3.28Å; N319-R354 PolarHBondContact ND2-NE 3Å; N319-R354 PolarHBondContact ND2-NH2 3.25Å; N319-R354 PolarHBondContact OD1-NE 2.68Å
320	H	47.3	Very low	69.1	Low	78 Å²	78	54.8 Å²	54.8	36%	0.361	28%	0.279	S	S	.	.			trans	-69.7	103.5	169	-87.6	56.4	0	0	0	109.7	Y314 E318 E322	Y314-H320 AromaticContact CD1-CE1 3.35Å; Y314-H320 WeakPolarHBondContact CD1-CE1 3.49Å; Y314-H320 AromaticContact CD1-ND1 3.67Å; Y314-H320 AromaticContact CD2-CD2 3.99Å; Y314-H320 AromaticContact CD2-CE1 3.25Å; Y314-H320 WeakPolarHBondContact CD2-CE1 3.24Å; Y314-H320 AromaticContact CD2-ND1 3.57Å; Y314-H320 AromaticContact CD2-NE2 3.48Å; Y314-H320 WeakPolarHBondContact CD2-NE2 3.45Å; Y314-H320 AromaticContact CE1-CE1 3.38Å; Y314-H320 WeakPolarHBondContact CE1-CE1 3.32Å; Y314-H320 AromaticContact CE2-CE1 3.22Å; Y314-H320 WeakPolarHBondContact CE2-CE1 3.49Å; Y314-H320 AromaticContact CE2-NE2 3.22Å; Y314-H320 WeakPolarHBondContact CE2-NE2 3.36Å; Y314-H320 AromaticContact CG-CE1 3.3Å; Y314-H320 AromaticContact CG-ND1 3.36Å; Y314-H320 AromaticContact CZ-CE1 3.29Å; Y314-H320 AromaticContact CZ-NE2 3.59Å; E318-H320 PolarHBondContact O-N 2.61Å; E318-H320 IonicContact OE2-CE1 2.72Å; E318-H320 PolarHBondContact OE2-CE1 2.92Å; E318-H320 IonicContact OE2-ND1 3.16Å; H320-E322 PolarHBondContact O-N 3.39Å
321	E	49.7	Very low	69.1	Low	61 Å²	61	54.8 Å²	54.8	29%	0.285	28%	0.279	S	S	.	.			trans	-67.9	117.6	171.2	-84.8	-174.5	-141.4	0	0	110.6	S31 R32 N319 N323 C324	S31-E321 WeakPolarHBondContact O-CG 3.29Å; R32-E321 WeakPolarHBondContact CA-OE1 3.39Å; R32-E321 WeakPolarHBondContact CB-OE1 3.27Å; R32-E321 VanDerWaalsContact CB-OE2 3.3Å; R32-E321 WeakPolarHBondContact CB-OE2 3.26Å; R32-E321 VanDerWaalsContact CD-OE2 3.25Å; R32-E321 WeakPolarHBondContact CD-OE2 3.4Å; R32-E321 WeakPolarHBondContact CG-OE1 3.37Å; R32-E321 VanDerWaalsContact CG-OE2 3.23Å; R32-E321 WeakPolarHBondContact CG-OE2 3.28Å; R32-E321 IonicContact NE-OE2 3.42Å; N319-E321 PolarHBondContact O-N 3.34Å; E321-N323 PolarHBondContact O-N 3.49Å; E321-C324 WeakPolarHBondContact CB-SG 3.15Å; E321-C324 PolarHBondContact O-SG 3Å; E321-C324 VanDerWaalsContact O-SG 3.4Å
322	E	43	Very low	68.9	Low	185 Å²	185	51.9 Å²	51.9	86%	0.864	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.9	178	-67	-171.2	156.6	0	0	114.1	H320	H320-E322 PolarHBondContact O-N 3.39Å
323	N	47.6	Very low	68.9	Low	120 Å²	120	51.8 Å²	51.8	64%	0.642	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	34.7	-167.2	-70.3	-62.6	0	0	0	115.6	E321	E321-N323 PolarHBondContact O-N 3.49Å
324	C	59.8	Low	69.1	Low	19 Å²	19	50.7 Å²	50.7	13%	0.128	26%	0.261	C	S	.	.			trans	-103.4	148.7	172.6	35.8	0	0	0	0	112.8	E321 T326 C327	E321-C324 WeakPolarHBondContact CB-SG 3.15Å; E321-C324 PolarHBondContact O-SG 3Å; E321-C324 VanDerWaalsContact O-SG 3.4Å; C324-T326 VanDerWaalsContact C-N 3.29Å; C324-T326 PolarHBondContact O-N 3.32Å; C324-C327 HydrophobicContact CB-CB 3.93Å; C324-C327 WeakPolarHBondContact CB-SG 3.25Å; C324-C327 WeakPolarHBondContact SG-CB 3.48Å; C324-C327 CovalentContact SG-SG 1.97Å; C324-C327 PolarHBondContact SG-SG 3.4Å
325	E	60.8	Low	69.3	Low	168 Å²	168	53.9 Å²	53.9	79%	0.785	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-26.8	-174	-82.6	-170.7	159.7	0	0	113.3
326	T	64.7	Low	69.5	Low	5 Å²	5	51.9 Å²	51.9	3%	0.031	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	36.9	-172.9	38.6	0	0	0	0	111.1	D42 N46 C324 Y331	D42-T326 HydrophobicContact CB-CG2 3.76Å; D42-T326 WeakPolarHBondContact O-CG2 3.27Å; D42-T326 PolarHBondContact OD1-OG1 3.08Å; D42-T326 PolarHBondContact OD2-OG1 2.9Å; N46-T326 WeakPolarHBondContact ND2-CG2 3.42Å; C324-T326 VanDerWaalsContact C-N 3.29Å; C324-T326 PolarHBondContact O-N 3.32Å; T326-Y331 HydrophobicContact CG2-CD1 4.31Å; T326-Y331 HydrophobicContact CG2-CE1 3.77Å; T326-Y331 WeakPolarHBondContact O-CB 3.43Å; T326-Y331 WeakPolarHBondContact O-CD2 3.47Å
327	C	68.8	Low	70.2	Confident	55 Å²	55	51.3 Å²	51.3	37%	0.372	26%	0.261	S	S	.	.			trans	-118.8	161	-178.1	-68	0	0	0	0	112.3	C324 Y331	C324-C327 HydrophobicContact CB-CB 3.93Å; C324-C327 WeakPolarHBondContact CB-SG 3.25Å; C324-C327 WeakPolarHBondContact SG-CB 3.48Å; C324-C327 CovalentContact SG-SG 1.97Å; C324-C327 PolarHBondContact SG-SG 3.4Å; C327-Y331 WeakPolarHBondContact O-CD2 3.42Å
328	G	79	Confident	71	Confident	30 Å²	30	51.9 Å²	51.9	31%	0.309	26%	0.264	S	S	.	.	S	Bend	trans	91.6	176	-178.5	0	0	0	0	0	112.2	P330 Y331 D332	G328-P330 VanDerWaalsContact C-CD 3.44Å; G328-P330 WeakPolarHBondContact O-CD 3.17Å; G328-Y331 WeakPolarHBondContact O-CB 3.39Å; G328-Y331 PolarHBondContact O-N 3.06Å; G328-D332 PolarHBondContact O-N 3.35Å
329	R	85.5	Confident	71.5	Confident	25 Å²	25	49.3 Å²	49.3	9%	0.094	25%	0.254	C	S	.	.	H	α-helix	trans	-46.3	-44.6	-155.5	-165.1	59	174.4	168.5	5.7	117.2	C75 L76 E78 Y331 D332 C333 F480	C75-R329 VanDerWaalsContact O-CZ 3.23Å; C75-R329 PolarHBondContact O-NE 3.09Å; C75-R329 PolarHBondContact O-NH2 2.77Å; C75-R329 VanDerWaalsContact SG-CZ 3.58Å; C75-R329 PolarHBondContact SG-NH2 2.89Å; C75-R329 VanDerWaalsContact SG-NH2 3.38Å; L76-R329 HydrophobicContact CD2-CG 4.2Å; E78-R329 HydrophobicContact CG-CG 4.25Å; R329-Y331 VanDerWaalsContact C-N 3.25Å; R329-Y331 PolarHBondContact O-N 2.97Å; R329-D332 WeakPolarHBondContact CA-OD2 3.45Å; R329-D332 PolarHBondContact O-N 3.47Å; R329-C333 WeakPolarHBondContact O-CB 3.44Å; R329-C333 PolarHBondContact O-N 3.34Å; R329-C333 PolarHBondContact O-SG 3.16Å; R329-F480 VanDerWaalsContact NH2-CE1 3.33Å
330	P	91	Very high	71.6	Confident	33 Å²	33	51.7 Å²	51.7	21%	0.214	27%	0.267	C	S	.	.	H	α-helix	trans	-55.8	-38.5	176.3	-26.6	36.4	0	0	0	114.1	K49 L76 G328 L334	K49-P330 HydrophobicContact CD-CB 4.06Å; K49-P330 HydrophobicContact CG-CB 4.32Å; L76-P330 HydrophobicContact CD2-CB 4.14Å; L76-P330 HydrophobicContact CD2-CG 3.87Å; G328-P330 VanDerWaalsContact C-CD 3.44Å; G328-P330 WeakPolarHBondContact O-CD 3.17Å; P330-L334 WeakPolarHBondContact O-CG 3.43Å; P330-L334 PolarHBondContact O-N 2.94Å; P330-L334 VanDerWaalsContact O-N 3.15Å
331	Y	87.1	Confident	71.3	Confident	23 Å²	23	49.3 Å²	49.3	9%	0.09	26%	0.257	C	S	.	.	H	α-helix	trans	-78.7	-44.3	-177.6	-59.7	-79.3	0	0	0	111.1	L45 N46 K49 T326 C327 G328 R329 C333 L334 E335	L45-Y331 HydrophobicContact CB-CD1 3.93Å; L45-Y331 HydrophobicContact CB-CE1 4.21Å; L45-Y331 HydrophobicContact CD1-CD1 4.47Å; N46-Y331 PolarHBondContact OD1-OH 3.24Å; K49-Y331 HydrophobicContact CB-CE1 4.49Å; K49-Y331 HydrophobicContact CD-CE1 4.06Å; K49-Y331 HydrophobicContact CD-CE2 4.19Å; T326-Y331 HydrophobicContact CG2-CD1 4.31Å; T326-Y331 HydrophobicContact CG2-CE1 3.77Å; T326-Y331 WeakPolarHBondContact O-CB 3.43Å; T326-Y331 WeakPolarHBondContact O-CD2 3.47Å; C327-Y331 WeakPolarHBondContact O-CD2 3.42Å; G328-Y331 WeakPolarHBondContact O-CB 3.39Å; G328-Y331 PolarHBondContact O-N 3.06Å; R329-Y331 VanDerWaalsContact C-N 3.25Å; R329-Y331 PolarHBondContact O-N 2.97Å; Y331-C333 PolarHBondContact O-N 2.81Å; Y331-C333 VanDerWaalsContact O-N 3.16Å; Y331-L334 HydrophobicContact CD1-CD1 4.49Å; Y331-L334 WeakPolarHBondContact O-CA 3.44Å; Y331-L334 WeakPolarHBondContact O-CB 3.49Å; Y331-L334 PolarHBondContact O-N 2.91Å; Y331-E335 PolarHBondContact O-N 3.4Å
332	D	80.9	Confident	70.3	Confident	28 Å²	28	49.2 Å²	49.2	15%	0.15	26%	0.263	C	S	.	.	H	α-helix	trans	-54.5	-39	172.3	-35.7	-17.3	0	0	0	110.9	G328 R329 Y336	G328-D332 PolarHBondContact O-N 3.35Å; R329-D332 WeakPolarHBondContact CA-OD2 3.45Å; R329-D332 PolarHBondContact O-N 3.47Å; D332-Y336 VanDerWaalsContact O-CB 3.29Å; D332-Y336 WeakPolarHBondContact O-CB 3.45Å; D332-Y336 PolarHBondContact O-N 3.21Å
333	C	88.7	Confident	69.5	Low	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-36.4	176.3	-66.7	0	0	0	0	113.1	Y72 C75 R329 Y331 I337	Y72-C333 HydrophobicContact CD2-CB 3.91Å; Y72-C333 HydrophobicContact CE2-CB 4.07Å; C75-C333 HydrophobicContact CB-CB 3.73Å; C75-C333 WeakPolarHBondContact CB-SG 3.22Å; C75-C333 WeakPolarHBondContact SG-CA 3.37Å; C75-C333 WeakPolarHBondContact SG-CB 3.2Å; C75-C333 CovalentContact SG-SG 2.02Å; C75-C333 PolarHBondContact SG-SG 2.78Å; R329-C333 WeakPolarHBondContact O-CB 3.44Å; R329-C333 PolarHBondContact O-N 3.34Å; R329-C333 PolarHBondContact O-SG 3.16Å; Y331-C333 PolarHBondContact O-N 2.81Å; Y331-C333 VanDerWaalsContact O-N 3.16Å; C333-I337 WeakPolarHBondContact O-CB 3.21Å; C333-I337 WeakPolarHBondContact O-CD1 3.42Å; C333-I337 WeakPolarHBondContact O-CG1 3.4Å; C333-I337 PolarHBondContact O-N 2.92Å; C333-I337 VanDerWaalsContact O-N 3.08Å
334	L	89.6	Confident	68.4	Low	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-43.6	176.1	-74.9	172.3	0	0	0	111.6	L45 L48 K49 I52 Y72 P330 Y331 I337 M338 L387	L45-L334 HydrophobicContact CD2-CB 4.03Å; L45-L334 HydrophobicContact CD2-CD1 4.44Å; L45-L334 WeakPolarHBondContact O-CD1 3.18Å; L48-L334 HydrophobicContact CB-CD1 4.06Å; L48-L334 HydrophobicContact CB-CD2 4.05Å; K49-L334 HydrophobicContact CB-CD1 3.79Å; I52-L334 HydrophobicContact CG2-CD2 4.22Å; Y72-L334 HydrophobicContact CD2-CD2 4.26Å; Y72-L334 HydrophobicContact CE2-CD2 4.09Å; Y72-L334 HydrophobicContact CE2-CG 4Å; P330-L334 WeakPolarHBondContact O-CG 3.43Å; P330-L334 PolarHBondContact O-N 2.94Å; P330-L334 VanDerWaalsContact O-N 3.15Å; Y331-L334 HydrophobicContact CD1-CD1 4.49Å; Y331-L334 WeakPolarHBondContact O-CA 3.44Å; Y331-L334 WeakPolarHBondContact O-CB 3.49Å; Y331-L334 PolarHBondContact O-N 2.91Å; L334-I337 CarbonylContact O-C 3.55Å; L334-I337 PolarHBondContact O-N 2.92Å; L334-M338 VanDerWaalsContact O-CB 3.31Å; L334-M338 WeakPolarHBondContact O-CB 3.27Å; L334-M338 PolarHBondContact O-N 3.37Å; L334-L387 HydrophobicContact CD2-CD1 3.9Å
335	E	81.9	Confident	66.7	Low	87 Å²	87	43.2 Å²	43.2	41%	0.407	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-47.9	176.8	-71.4	170.6	179.7	0	0	110.6	L45 Y331 I337 M338 G339	L45-E335 HydrophobicContact CD2-CG 4.27Å; Y331-E335 PolarHBondContact O-N 3.4Å; E335-I337 VanDerWaalsContact C-N 3.29Å; E335-I337 PolarHBondContact O-N 3.16Å; E335-M338 WeakPolarHBondContact O-CB 3.46Å; E335-M338 PolarHBondContact O-N 3.41Å; E335-M338 VanDerWaalsContact O-N 3.11Å; E335-G339 PolarHBondContact O-N 3.22Å
336	Y	83.9	Confident	65.1	Low	37 Å²	37	36.4 Å²	36.4	15%	0.145	22%	0.219	C	C	.	.	H	α-helix	trans	-53.5	-44.2	171.8	167.9	-103.7	0	0	0	112.9	V71 F304 D332 G339 T382 F480 N484 L487	V71-Y336 HydrophobicContact CG1-CD1 4.37Å; V71-Y336 HydrophobicContact CG1-CE1 3.73Å; F304-Y336 HydrophobicContact CE1-CD2 4.07Å; F304-Y336 AromaticContact CE1-CE2 3.72Å; F304-Y336 HydrophobicContact CE1-CE2 3.72Å; F304-Y336 HydrophobicContact CZ-CE2 4.36Å; D332-Y336 VanDerWaalsContact O-CB 3.29Å; D332-Y336 WeakPolarHBondContact O-CB 3.45Å; D332-Y336 PolarHBondContact O-N 3.21Å; Y336-G339 PolarHBondContact O-N 3.45Å; Y336-T382 HydrophobicContact CE2-CG2 4.43Å; Y336-T382 VanDerWaalsContact O-CG2 3.26Å; Y336-T382 WeakPolarHBondContact O-CG2 3.24Å; Y336-T382 PolarHBondContact O-OG1 2.85Å; Y336-F480 HydrophobicContact CD1-CE2 4.03Å; Y336-F480 HydrophobicContact CD1-CZ 4.24Å; Y336-F480 AromaticContact CE1-CE2 3.71Å; Y336-F480 HydrophobicContact CE1-CE2 3.71Å; Y336-F480 HydrophobicContact CE1-CZ 4.21Å; Y336-N484 WeakPolarHBondContact CE2-OD1 3.02Å; Y336-N484 VanDerWaalsContact OH-CA 3.22Å; Y336-N484 WeakPolarHBondContact OH-CA 3.48Å; Y336-N484 WeakPolarHBondContact OH-CB 3.32Å; Y336-N484 PolarHBondContact OH-OD1 2.96Å; Y336-L487 HydrophobicContact CE1-CD1 4.45Å; Y336-L487 WeakPolarHBondContact OH-CD1 3.42Å
337	I	89.4	Confident	63.4	Low	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-72.8	-31.8	179.2	-76.4	167.1	0	0	0	112.8	L68 V71 Y72 C333 L334 E335 T382 I383 G384 L387	L68-I337 HydrophobicContact CD1-CG2 3.28Å; V71-I337 HydrophobicContact CB-CD1 4.41Å; V71-I337 HydrophobicContact CG1-CD1 4.07Å; V71-I337 HydrophobicContact CG1-CG1 3.8Å; Y72-I337 HydrophobicContact CD2-CD1 4.06Å; Y72-I337 HydrophobicContact CG-CD1 4.34Å; C333-I337 WeakPolarHBondContact O-CB 3.21Å; C333-I337 WeakPolarHBondContact O-CD1 3.42Å; C333-I337 WeakPolarHBondContact O-CG1 3.4Å; C333-I337 PolarHBondContact O-N 2.92Å; C333-I337 VanDerWaalsContact O-N 3.08Å; L334-I337 CarbonylContact O-C 3.55Å; L334-I337 PolarHBondContact O-N 2.92Å; E335-I337 VanDerWaalsContact C-N 3.29Å; E335-I337 PolarHBondContact O-N 3.16Å; I337-T382 PolarHBondContact O-OG1 2.98Å; I337-I383 HydrophobicContact CG2-CD1 4.34Å; I337-I383 HydrophobicContact CG2-CG1 3.77Å; I337-I383 CarbonylContact O-C 3.58Å; I337-G384 WeakPolarHBondContact O-CA 3.42Å; I337-G384 PolarHBondContact O-N 2.91Å; I337-G384 VanDerWaalsContact O-N 3.13Å; I337-L387 HydrophobicContact CG2-CB 3.99Å; I337-L387 HydrophobicContact CG2-CD1 4.11Å; I337-L387 HydrophobicContact CG2-CD2 3.94Å; I337-L387 HydrophobicContact CG2-CG 4.23Å
338	M	83.9	Confident	61.3	Low	16 Å²	16	36.8 Å²	36.8	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-36	177.8	-168.4	158.7	61.6	0	0	109.9	L334 E335 G384 L387 A513 I514	L334-M338 VanDerWaalsContact O-CB 3.31Å; L334-M338 WeakPolarHBondContact O-CB 3.27Å; L334-M338 PolarHBondContact O-N 3.37Å; E335-M338 WeakPolarHBondContact O-CB 3.46Å; E335-M338 PolarHBondContact O-N 3.41Å; E335-M338 VanDerWaalsContact O-N 3.11Å; M338-G384 WeakPolarHBondContact O-CA 3.42Å; M338-L387 HydrophobicContact CB-CD2 3.68Å; M338-L387 HydrophobicContact CG-CD2 4.16Å; M338-A513 HydrophobicContact SD-CB 4.39Å; M338-I514 HydrophobicContact CE-CG1 4.12Å; M338-I514 HydrophobicContact CG-CD1 4.09Å; M338-I514 HydrophobicContact CG-CG1 3.81Å; M338-I514 HydrophobicContact SD-CG1 3.65Å
339	G	70.3	Confident	59.2	Low	8 Å²	8	40.5 Å²	40.5	8%	0.082	23%	0.234	C	C	.	.			trans	76.4	151.4	-167.1	0	0	0	0	0	109.5	E335 Y336 I380	E335-G339 PolarHBondContact O-N 3.22Å; Y336-G339 PolarHBondContact O-N 3.45Å; G339-I380 WeakPolarHBondContact CA-O 3.44Å
340	D	51.9	Low	56.6	Low	108 Å²	108	39.4 Å²	39.4	58%	0.578	23%	0.23	S	C	*	.			trans	-90.8	128.3	-179.5	-131.3	-32.3	0	0	0	110.5	S342 T379	D340-S342 VanDerWaalsContact OD1-CB 3.27Å; D340-S342 WeakPolarHBondContact OD1-CB 3.43Å; D340-S342 PolarHBondContact OD1-N 2.72Å; D340-S342 VanDerWaalsContact OD1-N 3.1Å; D340-S342 PolarHBondContact OD1-OG 3.44Å; D340-T379 WeakPolarHBondContact O-CA 3.42Å; D340-T379 VanDerWaalsContact O-CG2 3.22Å; D340-T379 WeakPolarHBondContact O-CG2 3.34Å
341	I	39.6	Very low	53.7	Low	28 Å²	28	43.7 Å²	43.7	14%	0.144	25%	0.248	C	C	.	.			trans	-104.9	6.5	160.7	-52.7	173	0	0	0	109.1	T379 I514 W518	I341-T379 HydrophobicContact CG1-CG2 3.98Å; I341-I514 HydrophobicContact CB-CD1 4.09Å; I341-I514 HydrophobicContact CD1-CB 4.49Å; I341-I514 HydrophobicContact CD1-CD1 3.27Å; I341-I514 HydrophobicContact CD1-CG1 4.43Å; I341-I514 HydrophobicContact CD1-CG2 4.41Å; I341-I514 HydrophobicContact CG1-CD1 3.43Å; I341-I514 VanDerWaalsContact CG1-CD1 3.43Å; I341-W518 HydrophobicContact CD1-CE3 4.32Å; I341-W518 HydrophobicContact CD1-CH2 3.29Å; I341-W518 HydrophobicContact CD1-CZ2 3.92Å; I341-W518 HydrophobicContact CD1-CZ3 3.51Å; I341-W518 HydrophobicContact CG2-CE3 4.42Å
342	S	29	Very low	51.2	Low	59 Å²	59	42.7 Å²	42.7	41%	0.413	24%	0.244	S	C	.	.	S	Bend	trans	-78.9	139	-177.4	67.2	0	0	0	0	111.9	D340 S344	D340-S342 VanDerWaalsContact OD1-CB 3.27Å; D340-S342 WeakPolarHBondContact OD1-CB 3.43Å; D340-S342 PolarHBondContact OD1-N 2.72Å; D340-S342 VanDerWaalsContact OD1-N 3.1Å; D340-S342 PolarHBondContact OD1-OG 3.44Å; S342-S344 PolarHBondContact O-N 2.7Å; S342-S344 VanDerWaalsContact O-N 3.07Å
343	D	26.8	Very low	48.9	Very low	70 Å²	70	42.9 Å²	42.9	37%	0.374	25%	0.245	S	C	.	.	S	Bend	trans	-40.3	109.7	175.2	-54.2	-55.7	0	0	0	110.2	L374	D343-L374 HydrophobicContact CB-CD2 4.22Å
344	S	24	Very low	46.1	Very low	32 Å²	32	47 Å²	47	22%	0.224	26%	0.26	C	S	.	.			trans	69.1	119.5	167.9	-144.4	0	0	0	0	116.1	V163 S342 G346 D377	V163-S344 WeakPolarHBondContact CB-OG 3.42Å; V163-S344 WeakPolarHBondContact CG2-OG 3.09Å; S342-S344 PolarHBondContact O-N 2.7Å; S342-S344 VanDerWaalsContact O-N 3.07Å; S344-G346 VanDerWaalsContact CB-N 3.33Å; S344-G346 PolarHBondContact O-N 2.85Å; S344-G346 WeakPolarHBondContact OG-CA 3.39Å; S344-G346 PolarHBondContact OG-N 2.67Å; S344-D377 PolarHBondContact N-OD1 3.22Å
345	P	24.8	Very low	43.2	Very low	95 Å²	95	51.7 Å²	51.7	62%	0.617	28%	0.282	S	S	*	.			trans	-71.2	43.9	138.9	33.6	-31.9	0	0	0	109.8	L347	P345-L347 PolarHBondContact O-N 3.33Å
346	G	25.9	Very low	40.8	Very low	26 Å²	26	48.1 Å²	48.1	27%	0.268	27%	0.266	S	S	.	.	S	Bend	trans	-72.9	83.1	155.2	0	0	0	0	0	105.4	S344 G348	S344-G346 VanDerWaalsContact CB-N 3.33Å; S344-G346 PolarHBondContact O-N 2.85Å; S344-G346 WeakPolarHBondContact OG-CA 3.39Å; S344-G346 PolarHBondContact OG-N 2.67Å; G346-G348 VanDerWaalsContact C-N 3.33Å; G346-G348 PolarHBondContact O-N 3.07Å
347	L	28.5	Very low	37.9	Very low	25 Å²	25	47.9 Å²	47.9	13%	0.131	27%	0.27	C	S	.	.			trans	17.7	74.3	170.6	-76.6	-170.7	0	0	0	113.3	L161 F317 P345 K349 L353	L161-L347 HydrophobicContact CB-CD1 4.49Å; L161-L347 HydrophobicContact CD2-CD1 4.4Å; L161-L347 WeakPolarHBondContact O-CD1 2.96Å; L161-L347 WeakPolarHBondContact O-CG 3.37Å; F317-L347 HydrophobicContact CB-CD2 4.15Å; F317-L347 HydrophobicContact CD1-CD1 3.75Å; F317-L347 HydrophobicContact CD1-CD2 3.34Å; F317-L347 HydrophobicContact CD1-CG 4.19Å; F317-L347 HydrophobicContact CE1-CD1 3.87Å; F317-L347 HydrophobicContact CE1-CD2 4.05Å; F317-L347 HydrophobicContact CG-CD2 4.02Å; P345-L347 PolarHBondContact O-N 3.33Å; L347-K349 PolarHBondContact O-N 2.85Å; L347-L353 HydrophobicContact CB-CD1 3.57Å; L347-L353 HydrophobicContact CD1-CD1 4.45Å; L347-L353 WeakPolarHBondContact O-CD1 3.3Å
348	G	25.4	Very low	34.9	Very low	43 Å²	43	54.4 Å²	54.4	44%	0.443	29%	0.294	S	S	.	.			trans	-60.1	99.7	175.8	0	0	0	0	0	109.9	F317 G346	F317-G348 CarbonylContact O-C 3.58Å; G346-G348 VanDerWaalsContact C-N 3.33Å; G346-G348 PolarHBondContact O-N 3.07Å
349	K	35.2	Very low	31.9	Very low	108 Å²	108	59.1 Å²	59.1	47%	0.47	32%	0.324	S	S	.	.	S	Bend	trans	67.9	58.3	151.5	-53.9	179.2	179.9	-176.9	0	114.4	E318 N319 L347	E318-K349 CarbonylContact C-O 3.52Å; E318-K349 VanDerWaalsContact C-O 3.28Å; E318-K349 WeakPolarHBondContact CA-O 3.5Å; N319-K349 WeakPolarHBondContact CA-O 3.42Å; N319-K349 HydrophobicContact CB-CB 4.27Å; N319-K349 WeakPolarHBondContact CB-O 3.44Å; N319-K349 PolarHBondContact N-O 2.68Å; N319-K349 PolarHBondContact ND2-O 2.6Å; N319-K349 PolarHBondContact OD1-O 2.89Å; L347-K349 PolarHBondContact O-N 2.85Å
350	G	30.3	Very low	29.6	Very low	1 Å²	1	66.7 Å²	66.7	1%	0.01	36%	0.357	C	S	.	.			trans	-102.7	163	164.4	0	0	0	0	0	112.5	Y316 L352 L353	Y316-G350 WeakPolarHBondContact O-CA 3.4Å; G350-L352 PolarHBondContact O-N 3.04Å; G350-L353 PolarHBondContact O-N 3.34Å
351	Q	30.8	Very low	28.2	Very low	123 Å²	123	71 Å²	71	58%	0.575	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.2	-179.1	-159.5	173.6	10.3	0	0	113.5
352	L	34.1	Very low	27.4	Very low	3 Å²	3	76 Å²	76	2%	0.016	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-41.3	176.2	-80.6	165.2	0	0	0	114.4	L179 D182 Y183 Y316 F317 G350	L179-L352 VanDerWaalsContact CD1-C 3.49Å; L179-L352 HydrophobicContact CD1-CB 3.63Å; L179-L352 HydrophobicContact CD1-CD2 3.81Å; L179-L352 HydrophobicContact CD1-CG 4.34Å; L179-L352 WeakPolarHBondContact CD1-O 2.85Å; L179-L352 WeakPolarHBondContact O-CD2 3.45Å; D182-L352 HydrophobicContact CB-CD2 3.24Å; D182-L352 HydrophobicContact CB-CG 4.3Å; Y183-L352 HydrophobicContact CD2-CD1 4.46Å; Y316-L352 HydrophobicContact CD1-CD1 3.62Å; Y316-L352 HydrophobicContact CD1-CD2 4.43Å; Y316-L352 HydrophobicContact CD1-CG 3.86Å; Y316-L352 HydrophobicContact CG-CD1 4.17Å; F317-L352 HydrophobicContact CD1-CD1 4.35Å; F317-L352 HydrophobicContact CE1-CD1 3.76Å; F317-L352 HydrophobicContact CZ-CD1 4.14Å; G350-L352 PolarHBondContact O-N 3.04Å
353	L	33.3	Very low	27	Very low	32 Å²	32	79.4 Å²	79.4	17%	0.168	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-7.2	-171.8	-69.9	167.4	0	0	0	113.8	L168 L179 L347 G350 E355	L168-L353 HydrophobicContact CD1-CD2 4.37Å; L179-L353 HydrophobicContact CD1-CD2 4.29Å; L179-L353 HydrophobicContact CD2-CD2 4.15Å; L347-L353 HydrophobicContact CB-CD1 3.57Å; L347-L353 HydrophobicContact CD1-CD1 4.45Å; L347-L353 WeakPolarHBondContact O-CD1 3.3Å; G350-L353 PolarHBondContact O-N 3.34Å; L353-E355 PolarHBondContact O-N 3.42Å
354	R	29.9	Very low	26.8	Very low	87 Å²	87	81.5 Å²	81.5	33%	0.328	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.9	-177	-76.7	178.3	172.3	-110.7	-11.7	114.8	N319 E675	N319-R354 VanDerWaalsContact CG-NH2 3.28Å; N319-R354 PolarHBondContact ND2-NE 3Å; N319-R354 PolarHBondContact ND2-NH2 3.25Å; N319-R354 PolarHBondContact OD1-NE 2.68Å; R354-E675 WeakPolarHBondContact CD-OE1 3.39Å; R354-E675 WeakPolarHBondContact CG-OE1 3.19Å; R354-E675 IonicContact CZ-OE1 3.93Å; R354-E675 VanDerWaalsContact CZ-OE1 3.27Å; R354-E675 IonicContact CZ-OE2 3.55Å; R354-E675 IonicContact NE-OE1 3.31Å; R354-E675 PolarHBondContact NE-OE1 3.15Å; R354-E675 IonicContact NH1-OE1 3.75Å; R354-E675 PolarHBondContact NH1-OE1 3.42Å; R354-E675 IonicContact NH1-OE2 3.57Å; R354-E675 PolarHBondContact NH1-OE2 3.23Å
355	E	28	Very low	26.8	Very low	97 Å²	97	84 Å²	84	45%	0.453	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	7.6	-170.1	-63.5	-145.2	161.5	0	0	115.6	D175 L353	D175-E355 WeakPolarHBondContact CB-O 3.33Å; D175-E355 VanDerWaalsContact OD2-O 3.13Å; L353-E355 PolarHBondContact O-N 3.42Å
356	V	30.8	Very low	26.7	Very low	13 Å²	13	85.1 Å²	85.1	8%	0.079	44%	0.436	C	S	.	.			trans	-97.4	102.3	-173.6	-175.4	0	0	0	0	113.1	N176 L179	N176-V356 WeakPolarHBondContact OD1-CG1 3.47Å; N176-V356 WeakPolarHBondContact OD1-CG2 3.42Å; L179-V356 HydrophobicContact CB-CG2 4.32Å; L179-V356 HydrophobicContact CD2-CG2 4Å
357	C	24.2	Very low	26.6	Very low	32 Å²	32	85 Å²	85	22%	0.216	43%	0.432	C	S	.	.			trans	-97.8	120.7	161.4	-77.1	0	0	0	0	109.6	D175 F611 M678	D175-C357 PolarHBondContact OD2-N 3.26Å; C357-F611 VanDerWaalsContact SG-CZ 3.53Å; C357-M678 WeakPolarHBondContact SG-CE 3.24Å
358	W	25.5	Very low	26.4	Very low	136 Å²	136	86.4 Å²	86.4	52%	0.515	44%	0.444	S	S	.	.			trans	-129.7	134.5	169	-98.3	98.9	0	0	0	115.1	S171 D173 N176	S171-W358 VanDerWaalsContact OG-CZ2 3.32Å; S171-W358 WeakPolarHBondContact OG-CZ2 3.42Å; D173-W358 HydrophobicContact CB-CH2 4.32Å; D173-W358 HydrophobicContact CB-CZ2 3.2Å; D173-W358 VanDerWaalsContact CG-CZ2 3.41Å; D173-W358 VanDerWaalsContact CG-NE1 3.35Å; D173-W358 VanDerWaalsContact OD2-CH2 3.29Å; D173-W358 WeakPolarHBondContact OD2-CH2 3.46Å; D173-W358 WeakPolarHBondContact OD2-CZ2 3.4Å; D173-W358 PolarHBondContact OD2-NE1 3.12Å; N176-W358 PolarHBondContact ND2-NE1 3.18Å
359	V	22.4	Very low	26.6	Very low	115 Å²	115	85.6 Å²	85.6	70%	0.697	43%	0.43	S	S	*	.			trans	-96.4	120.8	-175.4	171	0	0	0	0	110.7
360	Q	21.3	Very low	26.2	Very low	168 Å²	168	83.5 Å²	83.5	79%	0.785	43%	0.434	S	S	*	.			trans	31.1	110.5	150.2	-72.4	-176	-24.6	0	0	117.9
361	F	22.1	Very low	26	Very low	197 Å²	197	84.9 Å²	84.9	86%	0.864	44%	0.439	S	S	*	.			trans	-168.1	84.8	140.3	-100.2	-68.4	0	0	0	112.7
362	Y	23.1	Very low	25.9	Very low	133 Å²	133	79.5 Å²	79.5	52%	0.522	42%	0.415	S	S	.	.			trans	-145.8	130.5	143.4	-81.8	-70.2	0	0	0	110.9	F365	Y362-F365 HydrophobicContact CD1-CD2 4.43Å; Y362-F365 AromaticContact CD1-CE2 3.96Å; Y362-F365 HydrophobicContact CD1-CE2 3.96Å; Y362-F365 HydrophobicContact CE1-CE2 4.41Å; Y362-F365 HydrophobicContact CG-CE2 4.35Å
363	T	20.7	Very low	25.5	Very low	131 Å²	131	81.6 Å²	81.6	80%	0.804	43%	0.426	S	S	*	.			trans	-128.3	124.1	168.4	54.5	0	0	0	0	105.8
364	S	21.7	Very low	25.4	Very low	115 Å²	115	82.2 Å²	82.2	80%	0.804	43%	0.429	S	S	*	.			trans	92.2	76.7	-179.2	85.7	0	0	0	0	115.3
365	F	24.1	Very low	25.4	Very low	84 Å²	84	81.2 Å²	81.2	37%	0.368	43%	0.432	S	S	.	.			trans	-123.6	145.1	158.9	-99.1	-100	0	0	0	109.7	E233 Y362 E616	E233-F365 HydrophobicContact CG-CE1 3.9Å; E233-F365 WeakPolarHBondContact OE1-CD1 3.48Å; E233-F365 WeakPolarHBondContact OE1-CE1 3.43Å; Y362-F365 HydrophobicContact CD1-CD2 4.43Å; Y362-F365 AromaticContact CD1-CE2 3.96Å; Y362-F365 HydrophobicContact CD1-CE2 3.96Å; Y362-F365 HydrophobicContact CE1-CE2 4.41Å; Y362-F365 HydrophobicContact CG-CE2 4.35Å; F365-E616 WeakPolarHBondContact CB-OE1 3.32Å
366	D	23.6	Very low	25.5	Very low	118 Å²	118	78.1 Å²	78.1	63%	0.631	42%	0.419	S	S	*	.			trans	-90.4	121.1	176.6	-138.9	-18.9	0	0	0	105.9	S368	D366-S368 PolarHBondContact O-N 3.24Å
367	A	23.5	Very low	25.6	Very low	23 Å²	23	79.7 Å²	79.7	19%	0.19	43%	0.427	C	S	.	.	S	Bend	trans	-70.4	59.6	-167.1	0	0	0	0	0	113.7	L619	A367-L619 HydrophobicContact CB-CD2 3.54Å
368	S	25.2	Very low	26.2	Very low	56 Å²	56	80.2 Å²	80.2	39%	0.392	43%	0.426	S	S	.	.	S	Bend	trans	-130.5	5.8	179.7	55.3	0	0	0	0	113.9	D366	D366-S368 PolarHBondContact O-N 3.24Å
369	V	28	Very low	26.9	Very low	25 Å²	25	74.6 Å²	74.6	15%	0.152	41%	0.407	C	S	.	.	S	Bend	trans	-131.9	-19.1	-154.6	-151.6	0	0	0	0	116.8	E233 F371	E233-V369 HydrophobicContact CB-CG1 3.53Å; E233-V369 HydrophobicContact CG-CB 4.13Å; E233-V369 HydrophobicContact CG-CG1 3.48Å; E233-V369 VanDerWaalsContact CG-CG1 3.48Å; E233-V369 HydrophobicContact CG-CG2 4.41Å; V369-F371 PolarHBondContact O-N 3.07Å
370	A	26.8	Very low	28.1	Very low	65 Å²	65	72.3 Å²	72.3	54%	0.537	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.3	170.6	0	0	0	0	0	112.2	V372	A370-V372 PolarHBondContact O-N 2.87Å
371	F	27.9	Very low	29.7	Very low	30 Å²	30	65.6 Å²	65.6	13%	0.132	36%	0.359	C	S	.	.	H	α-helix	trans	-71.5	-19.8	-170.9	-114.6	-92.4	0	0	0	116.2	V369 T375 Y521 S620	V369-F371 PolarHBondContact O-N 3.07Å; F371-T375 WeakPolarHBondContact O-CG2 3.4Å; F371-T375 PolarHBondContact O-N 3.16Å; F371-Y521 AromaticContact CD1-CE2 3.78Å; F371-Y521 HydrophobicContact CD1-CE2 3.78Å; F371-Y521 AromaticContact CE1-CE2 3.66Å; F371-Y521 HydrophobicContact CE1-CE2 3.66Å; F371-Y521 AromaticContact CE1-CZ 3.9Å; F371-Y521 VanDerWaalsContact CE1-OH 3.28Å; F371-Y521 WeakPolarHBondContact CE1-OH 3.27Å; F371-S620 WeakPolarHBondContact CE2-OG 3.42Å
372	V	27.3	Very low	32	Very low	9 Å²	9	56.4 Å²	56.4	6%	0.055	32%	0.319	C	S	.	.	H	α-helix	trans	-80	-26.1	-173.2	-179.2	0	0	0	0	112	A234 F269 A370 T375	A234-V372 HydrophobicContact CB-CB 3.71Å; A234-V372 HydrophobicContact CB-CG1 3.41Å; A234-V372 VanDerWaalsContact CB-CG1 3.41Å; A234-V372 HydrophobicContact CB-CG2 4.39Å; F269-V372 HydrophobicContact CD1-CG1 4.41Å; F269-V372 HydrophobicContact CD2-CG1 4.05Å; F269-V372 HydrophobicContact CE1-CG1 3.82Å; F269-V372 HydrophobicContact CE2-CG1 3.36Å; F269-V372 HydrophobicContact CZ-CG1 3.25Å; A370-V372 PolarHBondContact O-N 2.87Å; V372-T375 PolarHBondContact O-N 2.94Å; V372-T375 PolarHBondContact O-OG1 3.34Å
373	L	27.3	Very low	35	Very low	47 Å²	47	50.1 Å²	50.1	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-76.6	-32.8	178.5	-75.3	166.5	0	0	0	112.4	T375 I376	L373-T375 VanDerWaalsContact C-N 3.27Å; L373-T375 PolarHBondContact O-N 3.42Å; L373-I376 HydrophobicContact CD2-CD1 3.89Å; L373-I376 WeakPolarHBondContact O-CB 3.4Å; L373-I376 WeakPolarHBondContact O-CG1 3.44Å; L373-I376 PolarHBondContact O-N 2.71Å; L373-I376 VanDerWaalsContact O-N 3.09Å
374	L	29.8	Very low	38.3	Very low	45 Å²	45	44 Å²	44	24%	0.236	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-23.7	170.3	-71.5	166.9	0	0	0	112.7	D343 I376 D377 E685	D343-L374 HydrophobicContact CB-CD2 4.22Å; L374-I376 PolarHBondContact O-N 2.8Å; L374-I376 VanDerWaalsContact O-N 3.17Å; L374-D377 WeakPolarHBondContact O-CB 3.49Å; L374-D377 VanDerWaalsContact O-CG 3.3Å; L374-D377 PolarHBondContact O-N 3.37Å; L374-E685 WeakPolarHBondContact CD1-OE2 3.45Å
375	T	30.3	Very low	41.5	Very low	66 Å²	66	38.7 Å²	38.7	41%	0.405	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-1.4	170.3	67.3	0	0	0	0	114.8	F371 V372 L373 D377	F371-T375 WeakPolarHBondContact O-CG2 3.4Å; F371-T375 PolarHBondContact O-N 3.16Å; V372-T375 PolarHBondContact O-N 2.94Å; V372-T375 PolarHBondContact O-OG1 3.34Å; L373-T375 VanDerWaalsContact C-N 3.27Å; L373-T375 PolarHBondContact O-N 3.42Å; T375-D377 PolarHBondContact O-N 2.94Å
376	I	30.2	Very low	44.8	Very low	33 Å²	33	34.7 Å²	34.7	17%	0.169	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	17.4	164.4	-40.9	-179.3	0	0	0	110.3	Y139 L373 L374 H378	Y139-I376 HydrophobicContact CD1-CG1 4.09Å; Y139-I376 HydrophobicContact CD1-CG2 4.16Å; Y139-I376 HydrophobicContact CE1-CG1 4.02Å; L373-I376 HydrophobicContact CD2-CD1 3.89Å; L373-I376 WeakPolarHBondContact O-CB 3.4Å; L373-I376 WeakPolarHBondContact O-CG1 3.44Å; L373-I376 PolarHBondContact O-N 2.71Å; L373-I376 VanDerWaalsContact O-N 3.09Å; L374-I376 PolarHBondContact O-N 2.8Å; L374-I376 VanDerWaalsContact O-N 3.17Å; I376-H378 PolarHBondContact O-N 3.05Å
377	D	33.2	Very low	48.1	Very low	45 Å²	45	29 Å²	29	24%	0.241	17%	0.172	C	C	.	.			trans	-68.4	83.9	161.9	-78.6	-23.9	0	0	0	110	S344 L374 T375 T379	S344-D377 PolarHBondContact N-OD1 3.22Å; L374-D377 WeakPolarHBondContact O-CB 3.49Å; L374-D377 VanDerWaalsContact O-CG 3.3Å; L374-D377 PolarHBondContact O-N 3.37Å; T375-D377 PolarHBondContact O-N 2.94Å; D377-T379 VanDerWaalsContact C-N 3.27Å; D377-T379 PolarHBondContact O-N 2.87Å
378	H	35.8	Very low	51.4	Low	44 Å²	44	28 Å²	28	20%	0.204	16%	0.163	C	C	.	.			trans	-71.1	94.3	154.6	-107.1	29.6	0	0	0	107.7	W127 I376 I380 F492 D495	W127-H378 AromaticContact CZ2-NE2 3.85Å; I376-H378 PolarHBondContact O-N 3.05Å; H378-I380 PolarHBondContact O-N 3.38Å; H378-F492 AromaticContact CD2-CD1 3.96Å; H378-F492 AromaticContact CD2-CE1 3.42Å; H378-F492 VanDerWaalsContact CD2-CE1 3.42Å; H378-F492 WeakPolarHBondContact CD2-CE1 3.46Å; H378-F492 AromaticContact CD2-CZ 3.77Å; H378-D495 IonicContact CD2-OD2 3.98Å; H378-D495 IonicContact CE1-OD2 3.82Å; H378-D495 IonicContact NE2-OD2 3.92Å; H378-D495 PolarHBondContact NE2-OD2 3.2Å
379	T	39.8	Very low	54.7	Low	18 Å²	18	26 Å²	26	11%	0.11	15%	0.148	C	C	.	.			trans	-49.7	107.3	156.4	-51.9	0	0	0	0	106.9	D340 I341 D377 L381 E509	D340-T379 WeakPolarHBondContact O-CA 3.42Å; D340-T379 VanDerWaalsContact O-CG2 3.22Å; D340-T379 WeakPolarHBondContact O-CG2 3.34Å; I341-T379 HydrophobicContact CG1-CG2 3.98Å; D377-T379 VanDerWaalsContact C-N 3.27Å; D377-T379 PolarHBondContact O-N 2.87Å; T379-L381 HydrophobicContact CG2-CD2 3.86Å; T379-L381 HydrophobicContact CG2-CG 3.95Å; T379-L381 PolarHBondContact O-N 3.27Å; T379-E509 PolarHBondContact OG1-O 3Å
380	I	48.6	Very low	57.9	Low	67 Å²	67	25.4 Å²	25.4	34%	0.344	14%	0.144	S	C	.	.			trans	-66.9	92.1	165.4	-60.6	-178.9	0	0	0	105.2	G339 H378 T382 F492	G339-I380 WeakPolarHBondContact CA-O 3.44Å; H378-I380 PolarHBondContact O-N 3.38Å; I380-T382 VanDerWaalsContact C-N 3.28Å; I380-T382 HydrophobicContact CG2-CG2 3.85Å; I380-T382 PolarHBondContact O-N 3.03Å; I380-F492 HydrophobicContact CG1-CE2 4.32Å
381	L	54	Low	61.1	Low	26 Å²	26	22.3 Å²	22.3	14%	0.136	12%	0.118	C	C	.	.			trans	-66.9	95.9	171.2	-73.5	167	0	0	0	105.7	T379 W490	T379-L381 HydrophobicContact CG2-CD2 3.86Å; T379-L381 HydrophobicContact CG2-CG 3.95Å; T379-L381 PolarHBondContact O-N 3.27Å; L381-W490 VanDerWaalsContact O-CZ3 3.28Å; L381-W490 WeakPolarHBondContact O-CZ3 3.39Å
382	T	70.8	Confident	64.3	Low	5 Å²	5	21.2 Å²	21.2	3%	0.031	11%	0.114	C	C	.	.	S	Bend	trans	-76.8	-106.4	172.8	52.5	0	0	0	0	108.3	Y336 I337 I380 W490	Y336-T382 HydrophobicContact CE2-CG2 4.43Å; Y336-T382 VanDerWaalsContact O-CG2 3.26Å; Y336-T382 WeakPolarHBondContact O-CG2 3.24Å; Y336-T382 PolarHBondContact O-OG1 2.85Å; I337-T382 PolarHBondContact O-OG1 2.98Å; I380-T382 VanDerWaalsContact C-N 3.28Å; I380-T382 HydrophobicContact CG2-CG2 3.85Å; I380-T382 PolarHBondContact O-N 3.03Å; T382-W490 VanDerWaalsContact O-CZ3 3.26Å; T382-W490 WeakPolarHBondContact O-CZ3 3.41Å
383	I	87.5	Confident	67.4	Low	1 Å²	1	25 Å²	25	1%	0.005	14%	0.137	C	C	.	.	S	Bend	trans	-122.8	31.3	173.8	60.1	-167.8	0	0	0	110.7	L67 L68 V71 I337 M385 A386 L387 Y459 L462 L487	L67-I383 HydrophobicContact CD2-CG2 4.02Å; L67-I383 HydrophobicContact CG-CD1 4.34Å; L68-I383 HydrophobicContact CB-CD1 4.3Å; L68-I383 HydrophobicContact CD1-CD1 3.99Å; L68-I383 HydrophobicContact CD1-CG1 4.02Å; V71-I383 HydrophobicContact CB-CD1 3.88Å; V71-I383 HydrophobicContact CG1-CD1 4.3Å; V71-I383 HydrophobicContact CG2-CD1 3.76Å; I337-I383 HydrophobicContact CG2-CD1 4.34Å; I337-I383 HydrophobicContact CG2-CG1 3.77Å; I337-I383 CarbonylContact O-C 3.58Å; I383-M385 PolarHBondContact O-N 3.44Å; I383-M385 VanDerWaalsContact O-N 3.13Å; I383-A386 HydrophobicContact CB-CB 4.47Å; I383-A386 WeakPolarHBondContact O-CA 3.49Å; I383-A386 VanDerWaalsContact O-CB 3.27Å; I383-A386 WeakPolarHBondContact O-CB 3.27Å; I383-A386 PolarHBondContact O-N 3.17Å; I383-L387 PolarHBondContact O-N 3.22Å; I383-Y459 VanDerWaalsContact CA-OH 3.28Å; I383-Y459 WeakPolarHBondContact CA-OH 3.45Å; I383-Y459 HydrophobicContact CB-CE1 4.29Å; I383-Y459 HydrophobicContact CG2-CD1 4.36Å; I383-Y459 HydrophobicContact CG2-CE1 3.93Å; I383-Y459 PolarHBondContact O-OH 3.16Å; I383-L462 HydrophobicContact CG2-CD1 4.21Å; I383-L487 HydrophobicContact CG2-CD2 3.75Å
384	G	88.5	Confident	70.6	Confident	2 Å²	2	25.5 Å²	25.5	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-56.1	-29.1	-176.2	0	0	0	0	0	114.9	I337 M338 A386 L387 G388 S511	I337-G384 WeakPolarHBondContact O-CA 3.42Å; I337-G384 PolarHBondContact O-N 2.91Å; I337-G384 VanDerWaalsContact O-N 3.13Å; M338-G384 WeakPolarHBondContact O-CA 3.42Å; G384-A386 VanDerWaalsContact C-N 3.33Å; G384-L387 PolarHBondContact O-N 3.15Å; G384-G388 PolarHBondContact O-N 2.96Å; G384-S511 WeakPolarHBondContact O-CB 3.43Å; G384-S511 PolarHBondContact O-OG 2.98Å
385	M	89.8	Confident	73.2	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-69.2	-31.9	173.2	-63.9	-73.9	173.4	0	0	112.1	I383 K389 P448 M451 L455 Y458 Y459 M508 G510 P512	I383-M385 PolarHBondContact O-N 3.44Å; I383-M385 VanDerWaalsContact O-N 3.13Å; M385-K389 PolarHBondContact O-N 2.98Å; M385-P448 HydrophobicContact CE-CG 4.34Å; M385-P448 HydrophobicContact SD-CG 3.96Å; M385-M451 HydrophobicContact CB-CG 4.38Å; M385-M451 HydrophobicContact CB-SD 4.25Å; M385-M451 HydrophobicContact SD-CG 4.22Å; M385-M451 HydrophobicContact SD-SD 3.97Å; M385-L455 HydrophobicContact CB-CD1 3.88Å; M385-Y458 HydrophobicContact CG-CE1 4.35Å; M385-Y459 HydrophobicContact CB-CE2 4.48Å; M385-Y459 WeakPolarHBondContact CB-OH 2.93Å; M385-Y459 PolarHBondContact N-OH 3.3Å; M385-M508 HydrophobicContact CE-CB 4.36Å; M385-M508 WeakPolarHBondContact CE-O 3.27Å; M385-G510 WeakPolarHBondContact CE-O 3.36Å; M385-P512 HydrophobicContact SD-CG 4.11Å
386	A	93.3	Very high	75.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.6	-44.8	174.6	0	0	0	0	0	110.5	M65 L68 I383 G384 G388 K389 L390 L455 Y459	M65-A386 HydrophobicContact CE-CB 3.49Å; M65-A386 VanDerWaalsContact CE-CB 3.49Å; M65-A386 WeakPolarHBondContact CE-O 3.47Å; L68-A386 HydrophobicContact CB-CB 4.23Å; L68-A386 HydrophobicContact CD2-CB 4.22Å; I383-A386 HydrophobicContact CB-CB 4.47Å; I383-A386 WeakPolarHBondContact O-CA 3.49Å; I383-A386 VanDerWaalsContact O-CB 3.27Å; I383-A386 WeakPolarHBondContact O-CB 3.27Å; I383-A386 PolarHBondContact O-N 3.17Å; G384-A386 VanDerWaalsContact C-N 3.33Å; A386-G388 VanDerWaalsContact C-N 3.3Å; A386-G388 PolarHBondContact O-N 3.09Å; A386-K389 WeakPolarHBondContact O-CB 3.46Å; A386-K389 PolarHBondContact O-N 3.02Å; A386-L390 PolarHBondContact O-N 2.86Å; A386-L455 HydrophobicContact CB-CD2 4.22Å; A386-Y459 HydrophobicContact CB-CE2 4Å; A386-Y459 PolarHBondContact N-OH 3.44Å
387	L	92.7	Very high	78.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-40	174	-167.8	69.9	0	0	0	111.8	L48 L68 L334 I337 M338 I383 G384 L390 F391	L48-L387 HydrophobicContact CD1-CD1 4.3Å; L48-L387 HydrophobicContact CD1-CD2 3.87Å; L48-L387 HydrophobicContact CD1-CG 3.96Å; L48-L387 HydrophobicContact CD2-CD1 3.62Å; L48-L387 HydrophobicContact CD2-CG 3.73Å; L48-L387 HydrophobicContact CG-CD1 4.36Å; L48-L387 HydrophobicContact CG-CG 4.41Å; L68-L387 HydrophobicContact CD1-CB 4.15Å; L68-L387 HydrophobicContact CD1-CD1 4.09Å; L68-L387 HydrophobicContact CD2-CD1 4.5Å; L334-L387 HydrophobicContact CD2-CD1 3.9Å; I337-L387 HydrophobicContact CG2-CB 3.99Å; I337-L387 HydrophobicContact CG2-CD1 4.11Å; I337-L387 HydrophobicContact CG2-CD2 3.94Å; I337-L387 HydrophobicContact CG2-CG 4.23Å; M338-L387 HydrophobicContact CB-CD2 3.68Å; M338-L387 HydrophobicContact CG-CD2 4.16Å; I383-L387 PolarHBondContact O-N 3.22Å; G384-L387 PolarHBondContact O-N 3.15Å; L387-L390 HydrophobicContact CD1-CD2 4.46Å; L387-L390 WeakPolarHBondContact O-CB 3.48Å; L387-L390 PolarHBondContact O-N 2.69Å; L387-F391 WeakPolarHBondContact O-CB 3.04Å; L387-F391 PolarHBondContact O-N 3.09Å
388	G	93.1	Very high	81	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-43.6	174.3	0	0	0	0	0	112.7	G384 A386 L390 F391 I392	G384-G388 PolarHBondContact O-N 2.96Å; A386-G388 VanDerWaalsContact C-N 3.3Å; A386-G388 PolarHBondContact O-N 3.09Å; G388-L390 PolarHBondContact O-N 3.08Å; G388-F391 WeakPolarHBondContact O-CB 3.46Å; G388-F391 PolarHBondContact O-N 3.17Å; G388-I392 VanDerWaalsContact O-CD1 3.3Å; G388-I392 WeakPolarHBondContact O-CD1 3.37Å; G388-I392 WeakPolarHBondContact O-CG1 3.47Å; G388-I392 PolarHBondContact O-N 3.27Å
389	K	94.1	Very high	83.6	Confident	15 Å²	15	30.6 Å²	30.6	7%	0.065	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-46.8	172.8	-174.1	-179.6	-169.7	164.1	0	111.4	E62 M65 M385 A386 F391 I392 T393 M451 F452 L455	E62-K389 IonicContact OE1-NZ 2.77Å; E62-K389 PolarHBondContact OE1-NZ 3.49Å; E62-K389 VanDerWaalsContact OE2-CE 3.31Å; E62-K389 WeakPolarHBondContact OE2-CE 3.39Å; E62-K389 IonicContact OE2-NZ 3.86Å; E62-K389 PolarHBondContact OE2-NZ 3.34Å; M65-K389 HydrophobicContact CE-CB 4.36Å; M65-K389 HydrophobicContact CE-CD 4.16Å; M385-K389 PolarHBondContact O-N 2.98Å; A386-K389 WeakPolarHBondContact O-CB 3.46Å; A386-K389 PolarHBondContact O-N 3.02Å; K389-F391 VanDerWaalsContact C-N 3.34Å; K389-F391 PolarHBondContact O-N 3.41Å; K389-I392 PolarHBondContact O-N 3.28Å; K389-T393 WeakPolarHBondContact O-CG2 3.32Å; K389-T393 PolarHBondContact O-N 3.12Å; K389-T393 PolarHBondContact O-OG1 2.74Å; K389-T393 VanDerWaalsContact O-OG1 3.12Å; K389-M451 VanDerWaalsContact CD-O 3.3Å; K389-M451 WeakPolarHBondContact CD-O 3.47Å; K389-M451 VanDerWaalsContact CE-O 3.3Å; K389-M451 WeakPolarHBondContact CE-O 3.49Å; K389-M451 PolarHBondContact NZ-O 3.03Å; K389-F452 HydrophobicContact CG-CD1 4.44Å; K389-F452 HydrophobicContact CG-CE1 3.94Å; K389-F452 HydrophobicContact CG-CZ 4.25Å; K389-L455 HydrophobicContact CB-CD2 4.31Å; K389-L455 HydrophobicContact CD-CD2 3.74Å
390	L	94.8	Very high	86.1	Confident	13 Å²	13	35.7 Å²	35.7	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-49.7	176.9	-176.8	66.4	0	0	0	110.4	A51 I52 I55 L68 A386 L387 G388 I392 T393 S394	A51-L390 HydrophobicContact CB-CD1 4.05Å; A51-L390 HydrophobicContact CB-CD2 4.01Å; A51-L390 HydrophobicContact CB-CG 3.83Å; I52-L390 HydrophobicContact CB-CD2 3.78Å; I52-L390 HydrophobicContact CG1-CD2 4.23Å; I55-L390 HydrophobicContact CD1-CD1 4.03Å; I55-L390 HydrophobicContact CD1-CD2 4.06Å; I55-L390 HydrophobicContact CG1-CD1 4.28Å; L68-L390 HydrophobicContact CD2-CB 4.2Å; L68-L390 HydrophobicContact CD2-CD2 3.98Å; A386-L390 PolarHBondContact O-N 2.86Å; L387-L390 HydrophobicContact CD1-CD2 4.46Å; L387-L390 WeakPolarHBondContact O-CB 3.48Å; L387-L390 PolarHBondContact O-N 2.69Å; G388-L390 PolarHBondContact O-N 3.08Å; L390-I392 PolarHBondContact O-N 3.02Å; L390-T393 WeakPolarHBondContact CA-OG1 3.36Å; L390-T393 PolarHBondContact O-N 3.08Å; L390-T393 PolarHBondContact O-OG1 2.83Å; L390-S394 WeakPolarHBondContact O-CB 3.44Å; L390-S394 PolarHBondContact O-N 2.67Å; L390-S394 PolarHBondContact O-OG 3.29Å; L390-S394 VanDerWaalsContact O-OG 3.07Å
391	F	95	Very high	88.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-52.3	-50.3	175.9	179.4	-101.6	0	0	0	112.4	N44 I47 L48 L387 G388 K389 T393 S394 S395 A513 A530 Q534	N44-F391 HydrophobicContact CB-CE2 4.03Å; I47-F391 HydrophobicContact CB-CE2 4.37Å; I47-F391 HydrophobicContact CD1-CE2 4.16Å; I47-F391 HydrophobicContact CG2-CD2 4.16Å; I47-F391 HydrophobicContact CG2-CE2 4.2Å; L48-F391 HydrophobicContact CD2-CB 3.66Å; L48-F391 HydrophobicContact CD2-CD2 4.21Å; L48-F391 HydrophobicContact CD2-CG 4.44Å; L48-F391 HydrophobicContact CG-CB 4.39Å; L48-F391 HydrophobicContact CG-CD2 4.09Å; L387-F391 WeakPolarHBondContact O-CB 3.04Å; L387-F391 PolarHBondContact O-N 3.09Å; G388-F391 WeakPolarHBondContact O-CB 3.46Å; G388-F391 PolarHBondContact O-N 3.17Å; K389-F391 VanDerWaalsContact C-N 3.34Å; K389-F391 PolarHBondContact O-N 3.41Å; F391-T393 PolarHBondContact O-N 3.37Å; F391-S394 PolarHBondContact O-N 2.73Å; F391-S395 WeakPolarHBondContact O-CB 3.48Å; F391-S395 PolarHBondContact O-N 3.42Å; F391-S395 PolarHBondContact O-OG 2.92Å; F391-A513 HydrophobicContact CB-CB 3.8Å; F391-A513 HydrophobicContact CD1-CB 4.23Å; F391-A513 HydrophobicContact CD2-CB 4.42Å; F391-A513 HydrophobicContact CG-CB 3.87Å; F391-A530 HydrophobicContact CD1-CB 4.42Å; F391-A530 HydrophobicContact CE1-CB 4.27Å; F391-Q534 VanDerWaalsContact CZ-NE2 3.32Å
392	I	94.5	Very high	90.3	Very high	7 Å²	7	33 Å²	33	4%	0.036	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-41.6	-178.8	-67.7	153.5	0	0	0	111	G388 K389 L390 S394 S395 F397 Y447 M451 F452 P512 A530	G388-I392 VanDerWaalsContact O-CD1 3.3Å; G388-I392 WeakPolarHBondContact O-CD1 3.37Å; G388-I392 WeakPolarHBondContact O-CG1 3.47Å; G388-I392 PolarHBondContact O-N 3.27Å; K389-I392 PolarHBondContact O-N 3.28Å; L390-I392 PolarHBondContact O-N 3.02Å; I392-S394 VanDerWaalsContact C-N 3.26Å; I392-S394 PolarHBondContact O-N 2.95Å; I392-S395 VanDerWaalsContact O-O 3.09Å; I392-S395 PolarHBondContact O-OG 3.31Å; I392-F397 HydrophobicContact CG1-CD1 4.37Å; I392-F397 HydrophobicContact CG2-CB 4.44Å; I392-F397 HydrophobicContact CG2-CD1 4.15Å; I392-Y447 HydrophobicContact CD1-CD1 3.41Å; I392-Y447 VanDerWaalsContact CD1-CD1 3.41Å; I392-Y447 HydrophobicContact CD1-CE1 4.2Å; I392-Y447 HydrophobicContact CD1-CG 3.69Å; I392-Y447 HydrophobicContact CG1-CD1 4.05Å; I392-Y447 HydrophobicContact CG2-CD1 4.26Å; I392-Y447 HydrophobicContact CG2-CE1 3.94Å; I392-M451 HydrophobicContact CD1-CE 3.27Å; I392-F452 HydrophobicContact CB-CZ 4.24Å; I392-F452 HydrophobicContact CD1-CE2 4.47Å; I392-F452 HydrophobicContact CG2-CE2 4.35Å; I392-F452 HydrophobicContact CG2-CZ 3.77Å; I392-P512 HydrophobicContact CD1-CB 4.24Å; I392-A530 HydrophobicContact CD1-CB 4.4Å; I392-A530 HydrophobicContact CG1-CB 3.94Å
393	T	93.2	Very high	91.4	Very high	88 Å²	88	36.5 Å²	36.5	54%	0.54	22%	0.216	S	C	.	.	H	α-helix	trans	-71.2	-22	179	56.5	0	0	0	0	113.8	K389 L390 F391 F452	K389-T393 WeakPolarHBondContact O-CG2 3.32Å; K389-T393 PolarHBondContact O-N 3.12Å; K389-T393 PolarHBondContact O-OG1 2.74Å; K389-T393 VanDerWaalsContact O-OG1 3.12Å; L390-T393 WeakPolarHBondContact CA-OG1 3.36Å; L390-T393 PolarHBondContact O-N 3.08Å; L390-T393 PolarHBondContact O-OG1 2.83Å; F391-T393 PolarHBondContact O-N 3.37Å; T393-F452 HydrophobicContact CG2-CE1 4Å
394	S	93.1	Very high	91.8	Very high	58 Å²	58	38.3 Å²	38.3	41%	0.406	23%	0.229	S	C	.	.	H	α-helix	trans	-100.5	-18.5	-179.1	-61.1	0	0	0	0	113.5	A51 L390 F391 I392	A51-S394 WeakPolarHBondContact CB-OG 3.49Å; L390-S394 WeakPolarHBondContact O-CB 3.44Å; L390-S394 PolarHBondContact O-N 2.67Å; L390-S394 PolarHBondContact O-OG 3.29Å; L390-S394 VanDerWaalsContact O-OG 3.07Å; F391-S394 PolarHBondContact O-N 2.73Å; I392-S394 VanDerWaalsContact C-N 3.26Å; I392-S394 PolarHBondContact O-N 2.95Å
395	S	86	Confident	92.2	Very high	19 Å²	19	38.2 Å²	38.2	13%	0.133	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	160.9	170.9	63.3	0	0	0	0	109.9	F391 I392 F397	F391-S395 WeakPolarHBondContact O-CB 3.48Å; F391-S395 PolarHBondContact O-N 3.42Å; F391-S395 PolarHBondContact O-OG 2.92Å; I392-S395 VanDerWaalsContact O-O 3.09Å; I392-S395 PolarHBondContact O-OG 3.31Å; S395-F397 PolarHBondContact O-N 3.2Å; S395-F397 WeakPolarHBondContact OG-CB 3.24Å
396	S	76.7	Confident	92.4	Very high	127 Å²	127	40.8 Å²	40.8	89%	0.888	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	33.8	173	-55.9	0	0	0	0	112.1
397	F	90.6	Very high	92.6	Very high	20 Å²	20	44.6 Å²	44.6	9%	0.088	26%	0.26	C	S	.	.			trans	-84.6	129.7	-179.8	-163.6	-92.4	0	0	0	109.9	I392 S395 T401 V402 Y447 A530 I533	I392-F397 HydrophobicContact CG1-CD1 4.37Å; I392-F397 HydrophobicContact CG2-CB 4.44Å; I392-F397 HydrophobicContact CG2-CD1 4.15Å; S395-F397 PolarHBondContact O-N 3.2Å; S395-F397 WeakPolarHBondContact OG-CB 3.24Å; F397-T401 HydrophobicContact CD2-CG2 3.97Å; F397-T401 HydrophobicContact CE2-CG2 3.43Å; F397-T401 VanDerWaalsContact CE2-CG2 3.43Å; F397-T401 HydrophobicContact CZ-CG2 4Å; F397-V402 HydrophobicContact CE1-CG2 3.51Å; F397-V402 HydrophobicContact CZ-CG2 3.76Å; F397-Y447 AromaticContact CD1-CD1 4Å; F397-Y447 HydrophobicContact CD1-CD1 4Å; F397-Y447 AromaticContact CD1-CE1 3.69Å; F397-Y447 HydrophobicContact CD1-CE1 3.69Å; F397-Y447 AromaticContact CE1-CD1 3.64Å; F397-Y447 HydrophobicContact CE1-CD1 3.64Å; F397-Y447 AromaticContact CE1-CE1 3.51Å; F397-Y447 HydrophobicContact CE1-CE1 3.51Å; F397-A530 HydrophobicContact CD1-CB 3.89Å; F397-A530 HydrophobicContact CD2-CB 4.03Å; F397-A530 HydrophobicContact CE1-CB 3.77Å; F397-A530 HydrophobicContact CE2-CB 3.95Å; F397-A530 HydrophobicContact CG-CB 4.01Å; F397-A530 HydrophobicContact CZ-CB 3.81Å; F397-I533 HydrophobicContact CE2-CB 3.75Å; F397-I533 HydrophobicContact CE2-CD1 4.1Å; F397-I533 HydrophobicContact CE2-CG2 3.82Å; F397-I533 HydrophobicContact CZ-CB 4.5Å; F397-I533 HydrophobicContact CZ-CD1 3.99Å
398	D	88.8	Confident	92.8	Very high	61 Å²	61	44.9 Å²	44.9	33%	0.326	26%	0.261	S	S	.	.			trans	-144.8	169.7	-173.4	65.1	34.6	0	0	0	112.3	E400 T401 V402 K540	D398-E400 PolarHBondContact O-N 3.45Å; D398-E400 WeakPolarHBondContact OD1-CA 3.45Å; D398-E400 WeakPolarHBondContact OD1-CB 3.33Å; D398-E400 PolarHBondContact OD1-N 3.06Å; D398-T401 VanDerWaalsContact O-CB 3.3Å; D398-T401 WeakPolarHBondContact O-CB 3.32Å; D398-T401 PolarHBondContact O-N 3.3Å; D398-T401 PolarHBondContact OD1-N 3.04Å; D398-T401 PolarHBondContact OD1-OG1 3Å; D398-V402 PolarHBondContact O-N 2.87Å; D398-K540 WeakPolarHBondContact OD1-CE 3.5Å; D398-K540 IonicContact OD1-NZ 3.5Å; D398-K540 PolarHBondContact OD1-NZ 2.85Å; D398-K540 IonicContact OD2-NZ 3.89Å; D398-K540 PolarHBondContact OD2-NZ 2.64Å
399	D	90.6	Very high	92.9	Very high	113 Å²	113	44.9 Å²	44.9	60%	0.604	26%	0.261	S	S	*	.	H	α-helix	trans	-61.9	-23.8	-178.8	-67.1	-32.7	0	0	0	113.4	S403 Y447	D399-S403 WeakPolarHBondContact O-CB 3.41Å; D399-S403 PolarHBondContact O-N 2.95Å; D399-S403 PolarHBondContact O-OG 2.67Å; D399-Y447 PolarHBondContact OD1-OH 2.62Å
400	E	92.8	Very high	93	Very high	124 Å²	124	47.8 Å²	47.8	58%	0.579	28%	0.278	S	S	*	.	H	α-helix	trans	-74.2	-36	175.9	179.5	-172	-144	0	0	110.8	D398 S403 S404 K540	D398-E400 PolarHBondContact O-N 3.45Å; D398-E400 WeakPolarHBondContact OD1-CA 3.45Å; D398-E400 WeakPolarHBondContact OD1-CB 3.33Å; D398-E400 PolarHBondContact OD1-N 3.06Å; E400-S403 PolarHBondContact O-N 2.88Å; E400-S404 WeakPolarHBondContact O-CB 3.21Å; E400-S404 PolarHBondContact O-N 3.44Å; E400-S404 PolarHBondContact O-OG 3.21Å; E400-K540 IonicContact OE2-NZ 2.77Å; E400-K540 PolarHBondContact OE2-NZ 3.09Å
401	T	94.9	Very high	93.1	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.043	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-50.5	169.2	-61.6	0	0	0	0	110.2	F397 D398 S403 S404 V405 I533 F538 K540	F397-T401 HydrophobicContact CD2-CG2 3.97Å; F397-T401 HydrophobicContact CE2-CG2 3.43Å; F397-T401 VanDerWaalsContact CE2-CG2 3.43Å; F397-T401 HydrophobicContact CZ-CG2 4Å; D398-T401 VanDerWaalsContact O-CB 3.3Å; D398-T401 WeakPolarHBondContact O-CB 3.32Å; D398-T401 PolarHBondContact O-N 3.3Å; D398-T401 PolarHBondContact OD1-N 3.04Å; D398-T401 PolarHBondContact OD1-OG1 3Å; T401-S403 VanDerWaalsContact C-N 3.31Å; T401-S403 PolarHBondContact O-N 3.01Å; T401-S404 PolarHBondContact O-N 3.13Å; T401-S404 VanDerWaalsContact O-N 3.16Å; T401-V405 WeakPolarHBondContact O-CG2 3.33Å; T401-V405 PolarHBondContact O-N 3.01Å; T401-I533 HydrophobicContact CG2-CG2 3.52Å; T401-F538 HydrophobicContact CG2-CD1 4.19Å; T401-F538 HydrophobicContact CG2-CE1 3.73Å; T401-F538 HydrophobicContact CG2-CZ 4.48Å; T401-K540 WeakPolarHBondContact OG1-CE 3.41Å
402	V	94.9	Very high	93.2	Very high	31 Å²	31	49.5 Å²	49.5	19%	0.188	29%	0.285	C	S	.	.	H	α-helix	trans	-56.3	-47.4	178.3	176.8	0	0	0	0	110.8	F397 D398 S404 V405 D406 V445 Y447	F397-V402 HydrophobicContact CE1-CG2 3.51Å; F397-V402 HydrophobicContact CZ-CG2 3.76Å; D398-V402 PolarHBondContact O-N 2.87Å; V402-S404 VanDerWaalsContact C-N 3.33Å; V402-S404 PolarHBondContact O-N 3Å; V402-V405 PolarHBondContact O-N 2.95Å; V402-D406 PolarHBondContact O-N 3.1Å; V402-V445 HydrophobicContact CG1-CB 4.26Å; V402-V445 HydrophobicContact CG1-CG1 4.17Å; V402-Y447 HydrophobicContact CG2-CE1 4.16Å
403	S	95.2	Very high	93.3	Very high	77 Å²	77	50 Å²	50	54%	0.538	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-38	179.5	-58.6	0	0	0	0	112.8	D399 E400 T401 D406 E407	D399-S403 WeakPolarHBondContact O-CB 3.41Å; D399-S403 PolarHBondContact O-N 2.95Å; D399-S403 PolarHBondContact O-OG 2.67Å; E400-S403 PolarHBondContact O-N 2.88Å; T401-S403 VanDerWaalsContact C-N 3.31Å; T401-S403 PolarHBondContact O-N 3.01Å; S403-D406 PolarHBondContact O-N 2.88Å; S403-E407 PolarHBondContact O-N 2.96Å; S403-E407 VanDerWaalsContact O-N 3.09Å
404	S	95.3	Very high	93.4	Very high	39 Å²	39	47.9 Å²	47.9	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-68.1	-41.1	178.9	-58.4	0	0	0	0	111.6	E400 T401 V402 E407 M408	E400-S404 WeakPolarHBondContact O-CB 3.21Å; E400-S404 PolarHBondContact O-N 3.44Å; E400-S404 PolarHBondContact O-OG 3.21Å; T401-S404 PolarHBondContact O-N 3.13Å; T401-S404 VanDerWaalsContact O-N 3.16Å; V402-S404 VanDerWaalsContact C-N 3.33Å; V402-S404 PolarHBondContact O-N 3Å; S404-E407 PolarHBondContact O-N 3.32Å; S404-M408 PolarHBondContact O-N 2.91Å
405	V	96.6	Very high	93.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-39.9	176.4	175.8	0	0	0	0	110.8	T401 V402 E407 M408 V409 V445 I533 F538 L551 M555	T401-V405 WeakPolarHBondContact O-CG2 3.33Å; T401-V405 PolarHBondContact O-N 3.01Å; V402-V405 PolarHBondContact O-N 2.95Å; V405-E407 VanDerWaalsContact C-N 3.32Å; V405-E407 PolarHBondContact O-N 3.07Å; V405-M408 WeakPolarHBondContact O-CA 3.19Å; V405-M408 WeakPolarHBondContact O-CB 3.39Å; V405-M408 PolarHBondContact O-N 3.28Å; V405-V409 WeakPolarHBondContact O-CG2 3.32Å; V405-V409 PolarHBondContact O-N 3.06Å; V405-V445 HydrophobicContact CB-CG1 3.74Å; V405-V445 HydrophobicContact CG1-CG1 3.51Å; V405-I533 HydrophobicContact CG1-CD1 4.4Å; V405-I533 HydrophobicContact CG2-CD1 4.39Å; V405-I533 HydrophobicContact CG2-CG2 3.62Å; V405-F538 HydrophobicContact CG2-CD2 4.1Å; V405-F538 HydrophobicContact CG2-CE2 3.87Å; V405-F538 HydrophobicContact CG2-CZ 4.09Å; V405-L551 HydrophobicContact CB-CD2 4.44Å; V405-L551 HydrophobicContact CG1-CD2 3.88Å; V405-L551 HydrophobicContact CG2-CD2 3.66Å; V405-M555 HydrophobicContact CG1-CE 4.24Å; V405-M555 HydrophobicContact CG1-SD 3.49Å; V405-M555 WeakPolarHBondContact CG1-SD 3.36Å
406	D	95.3	Very high	93.8	Very high	58 Å²	58	44.2 Å²	44.2	31%	0.31	25%	0.254	S	S	.	.	H	α-helix	trans	-62.6	-36.9	175.5	-169.2	70	0	0	0	112.8	V402 S403 M408 V409 N410 R443	V402-D406 PolarHBondContact O-N 3.1Å; S403-D406 PolarHBondContact O-N 2.88Å; D406-M408 VanDerWaalsContact C-N 3.3Å; D406-M408 PolarHBondContact O-N 3Å; D406-V409 PolarHBondContact O-N 2.73Å; D406-N410 PolarHBondContact O-N 3.35Å; D406-N410 PolarHBondContact O-ND2 2.61Å; D406-N410 PolarHBondContact OD2-ND2 3.05Å; D406-R443 WeakPolarHBondContact OD1-CD 3.42Å; D406-R443 IonicContact OD1-NH1 2.76Å; D406-R443 PolarHBondContact OD1-NH1 3.22Å
407	E	95.7	Very high	94.7	Very high	79 Å²	79	40.9 Å²	40.9	37%	0.369	22%	0.224	S	C	.	.	H	α-helix	trans	-59.1	-42.4	171.1	-168.6	-175.8	-177	0	0	111	S403 S404 V405 N410 E411 F639 R643	S403-E407 PolarHBondContact O-N 2.96Å; S403-E407 VanDerWaalsContact O-N 3.09Å; S404-E407 PolarHBondContact O-N 3.32Å; V405-E407 VanDerWaalsContact C-N 3.32Å; V405-E407 PolarHBondContact O-N 3.07Å; E407-N410 PolarHBondContact O-N 3Å; E407-E411 PolarHBondContact O-N 3.19Å; E407-F639 HydrophobicContact CG-CE2 4.11Å; E407-F639 WeakPolarHBondContact OE1-CE2 3.36Å; E407-R643 IonicContact OE1-CZ 3.49Å; E407-R643 IonicContact OE1-NH2 3.24Å; E407-R643 PolarHBondContact OE1-NH2 3.23Å
408	M	97.4	Very high	94.9	Very high	7 Å²	7	43 Å²	43	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-42.6	175.3	-65.7	175.6	60.8	0	0	112	S404 V405 D406 N410 E411 L412 F538 N547 F548 M555	S404-M408 PolarHBondContact O-N 2.91Å; V405-M408 WeakPolarHBondContact O-CA 3.19Å; V405-M408 WeakPolarHBondContact O-CB 3.39Å; V405-M408 PolarHBondContact O-N 3.28Å; D406-M408 VanDerWaalsContact C-N 3.3Å; D406-M408 PolarHBondContact O-N 3Å; M408-N410 VanDerWaalsContact C-N 3.28Å; M408-N410 PolarHBondContact O-N 3.43Å; M408-E411 PolarHBondContact O-N 3.16Å; M408-E411 VanDerWaalsContact O-N 3.16Å; M408-L412 WeakPolarHBondContact O-CG 3.48Å; M408-L412 PolarHBondContact O-N 3.45Å; M408-F538 HydrophobicContact SD-CD2 4.31Å; M408-F538 HydrophobicContact SD-CE2 4.03Å; M408-N547 HydrophobicContact CE-CB 3.88Å; M408-N547 HydrophobicContact SD-CB 4.07Å; M408-F548 HydrophobicContact CB-CE1 4.19Å; M408-F548 HydrophobicContact CB-CZ 4.12Å; M408-F548 HydrophobicContact CE-CD1 4.1Å; M408-F548 HydrophobicContact CE-CD2 4.3Å; M408-F548 HydrophobicContact CE-CE1 4.28Å; M408-F548 HydrophobicContact CE-CE2 4.47Å; M408-F548 HydrophobicContact CE-CG 4.11Å; M408-F548 HydrophobicContact CE-CZ 4.46Å; M408-F548 HydrophobicContact CG-CE1 4.3Å; M408-F548 HydrophobicContact CG-CE2 4.16Å; M408-F548 HydrophobicContact CG-CZ 3.85Å; M408-M555 HydrophobicContact CB-CE 3.65Å; M408-M555 HydrophobicContact CE-CE 3.78Å; M408-M555 HydrophobicContact SD-CE 4.35Å
409	V	96.5	Very high	95.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-38.1	177.3	-175.3	0	0	0	0	111.3	V405 D406 E411 L412 V413 R443 M526 I528 M555	V405-V409 WeakPolarHBondContact O-CG2 3.32Å; V405-V409 PolarHBondContact O-N 3.06Å; D406-V409 PolarHBondContact O-N 2.73Å; V409-E411 VanDerWaalsContact C-N 3.33Å; V409-E411 PolarHBondContact O-N 2.94Å; V409-L412 WeakPolarHBondContact O-CB 3.47Å; V409-L412 PolarHBondContact O-N 3.46Å; V409-V413 WeakPolarHBondContact O-CG2 3.42Å; V409-V413 PolarHBondContact O-N 3.15Å; V409-R443 VanDerWaalsContact CG1-NH1 3.25Å; V409-M526 HydrophobicContact CG1-CE 4.21Å; V409-M526 HydrophobicContact CG1-SD 3.76Å; V409-M526 HydrophobicContact CG2-SD 4.38Å; V409-I528 HydrophobicContact CG2-CD1 4.08Å; V409-M555 HydrophobicContact CG2-CE 4.3Å; V409-M555 HydrophobicContact CG2-SD 3.45Å; V409-M555 WeakPolarHBondContact CG2-SD 3.42Å
410	N	96	Very high	95.4	Very high	76 Å²	76	35 Å²	35	41%	0.406	19%	0.191	S	C	.	.	H	α-helix	trans	-62.7	-39.3	176.2	-68.3	-41.1	0	0	0	112.6	D406 E407 M408 A414 R443	D406-N410 PolarHBondContact O-N 3.35Å; D406-N410 PolarHBondContact O-ND2 2.61Å; D406-N410 PolarHBondContact OD2-ND2 3.05Å; E407-N410 PolarHBondContact O-N 3Å; M408-N410 VanDerWaalsContact C-N 3.28Å; M408-N410 PolarHBondContact O-N 3.43Å; N410-A414 PolarHBondContact O-N 2.98Å; N410-A414 VanDerWaalsContact O-N 3.14Å; N410-R443 PolarHBondContact OD1-NH1 3.24Å
411	E	96.7	Very high	95.6	Very high	48 Å²	48	32.8 Å²	32.8	22%	0.224	19%	0.186	C	C	.	.	H	α-helix	trans	-69.2	-35.8	174.1	-66.2	-65.7	160.1	0	0	112.4	E407 M408 V409 A414 G415 F548 A635 F639	E407-E411 PolarHBondContact O-N 3.19Å; M408-E411 PolarHBondContact O-N 3.16Å; M408-E411 VanDerWaalsContact O-N 3.16Å; V409-E411 VanDerWaalsContact C-N 3.33Å; V409-E411 PolarHBondContact O-N 2.94Å; E411-A414 PolarHBondContact O-N 3.29Å; E411-G415 PolarHBondContact O-N 3.36Å; E411-F548 HydrophobicContact CB-CE1 4.3Å; E411-F548 HydrophobicContact CB-CZ 4.22Å; E411-A635 HydrophobicContact CB-CB 3.95Å; E411-A635 WeakPolarHBondContact O-CB 3.5Å; E411-F639 HydrophobicContact CG-CB 4.24Å; E411-F639 HydrophobicContact CG-CD2 3.9Å
412	L	97.3	Very high	95.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-46.5	174.9	-72.4	172.9	0	0	0	111.8	M408 V409 A414 G415 F416 M555 L559 A635	M408-L412 WeakPolarHBondContact O-CG 3.48Å; M408-L412 PolarHBondContact O-N 3.45Å; V409-L412 WeakPolarHBondContact O-CB 3.47Å; V409-L412 PolarHBondContact O-N 3.46Å; L412-A414 VanDerWaalsContact C-N 3.29Å; L412-A414 PolarHBondContact O-N 2.84Å; L412-G415 PolarHBondContact O-N 3.2Å; L412-G415 VanDerWaalsContact O-N 3.12Å; L412-F416 PolarHBondContact O-N 2.86Å; L412-M555 HydrophobicContact CD1-CB 3.36Å; L412-M555 HydrophobicContact CD1-CE 3.77Å; L412-M555 HydrophobicContact CD1-CG 4.48Å; L412-L559 HydrophobicContact CB-CD1 4.43Å; L412-A635 HydrophobicContact CD2-CB 3.71Å; L412-A635 HydrophobicContact CG-CB 4.2Å
413	V	96.2	Very high	95.5	Very high	17 Å²	17	38 Å²	38	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-56.3	-45.6	173.3	164.8	0	0	0	0	110.9	V409 G415 F416 K417 I438 L559	V409-V413 WeakPolarHBondContact O-CG2 3.42Å; V409-V413 PolarHBondContact O-N 3.15Å; V413-G415 PolarHBondContact O-N 2.9Å; V413-F416 PolarHBondContact O-N 2.96Å; V413-K417 HydrophobicContact CG1-CD 4.27Å; V413-K417 VanDerWaalsContact O-CG 3.31Å; V413-K417 WeakPolarHBondContact O-CG 3.25Å; V413-K417 PolarHBondContact O-N 2.8Å; V413-I438 HydrophobicContact CB-CG2 4.43Å; V413-I438 HydrophobicContact CG1-CG2 3.78Å; V413-I438 HydrophobicContact CG2-CG2 4.34Å; V413-L559 HydrophobicContact CG2-CD1 3.96Å
414	A	95.1	Very high	95.4	Very high	44 Å²	44	38.1 Å²	38.1	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-41.4	176.6	0	0	0	0	0	112.4	N410 E411 L412 K417 Q418	N410-A414 PolarHBondContact O-N 2.98Å; N410-A414 VanDerWaalsContact O-N 3.14Å; E411-A414 PolarHBondContact O-N 3.29Å; L412-A414 VanDerWaalsContact C-N 3.29Å; L412-A414 PolarHBondContact O-N 2.84Å; A414-K417 PolarHBondContact O-N 3.47Å; A414-Q418 PolarHBondContact O-N 2.9Å; A414-Q418 VanDerWaalsContact O-N 3.13Å
415	G	93.9	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-43	176.5	0	0	0	0	0	112.8	E411 L412 V413 Q418 I419	E411-G415 PolarHBondContact O-N 3.36Å; L412-G415 PolarHBondContact O-N 3.2Å; L412-G415 VanDerWaalsContact O-N 3.12Å; V413-G415 PolarHBondContact O-N 2.9Å; G415-Q418 WeakPolarHBondContact O-CB 3.44Å; G415-Q418 PolarHBondContact O-N 2.95Å; G415-Q418 VanDerWaalsContact O-N 3.14Å; G415-I419 PolarHBondContact O-N 3.16Å
416	F	93.1	Very high	95.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-37.4	178	-125.6	-85.9	0	0	0	112.6	L412 V413 Q418 I419 V420 I438 L559 T560 L563 W724	L412-F416 PolarHBondContact O-N 2.86Å; V413-F416 PolarHBondContact O-N 2.96Å; F416-Q418 PolarHBondContact O-N 3.23Å; F416-I419 HydrophobicContact CD2-CD1 4.41Å; F416-I419 HydrophobicContact CE2-CD1 4.48Å; F416-I419 WeakPolarHBondContact O-CB 3.35Å; F416-I419 PolarHBondContact O-N 2.9Å; F416-V420 WeakPolarHBondContact O-CG2 3.22Å; F416-V420 PolarHBondContact O-N 3.38Å; F416-I438 HydrophobicContact CB-CD1 4.48Å; F416-I438 HydrophobicContact CD1-CD1 4.37Å; F416-L559 HydrophobicContact CB-CD1 4.18Å; F416-L559 HydrophobicContact CB-CD2 3.73Å; F416-L559 HydrophobicContact CD1-CD2 3.62Å; F416-L559 HydrophobicContact CD2-CD1 4.35Å; F416-L559 HydrophobicContact CD2-CD2 3.6Å; F416-L559 HydrophobicContact CD2-CG 4.42Å; F416-L559 HydrophobicContact CE1-CD2 4.13Å; F416-L559 HydrophobicContact CE2-CD2 4.11Å; F416-L559 HydrophobicContact CG-CD1 4.4Å; F416-L559 HydrophobicContact CG-CD2 3.33Å; F416-L559 HydrophobicContact CG-CG 4.46Å; F416-L559 HydrophobicContact CZ-CD2 4.35Å; F416-T560 WeakPolarHBondContact CE2-OG1 3.38Å; F416-T560 HydrophobicContact CZ-CG2 3.91Å; F416-T560 WeakPolarHBondContact CZ-OG1 3.48Å; F416-L563 HydrophobicContact CD1-CD1 3.94Å; F416-L563 HydrophobicContact CE1-CD1 3.72Å; F416-W724 HydrophobicContact CE1-CB 4.28Å; F416-W724 HydrophobicContact CE1-CD2 4.4Å; F416-W724 HydrophobicContact CE1-CG 4.21Å; F416-W724 HydrophobicContact CZ-CB 4.15Å; F416-W724 HydrophobicContact CZ-CG 4.3Å
417	K	95.2	Very high	95.5	Very high	58 Å²	58	37 Å²	37	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-62.6	-33.9	172	-68.1	178.1	76.6	160.7	0	111.9	V413 A414 T421 Y435 I438 D439	V413-K417 HydrophobicContact CG1-CD 4.27Å; V413-K417 VanDerWaalsContact O-CG 3.31Å; V413-K417 WeakPolarHBondContact O-CG 3.25Å; V413-K417 PolarHBondContact O-N 2.8Å; A414-K417 PolarHBondContact O-N 3.47Å; K417-T421 WeakPolarHBondContact O-CB 2.9Å; K417-T421 PolarHBondContact O-N 3.43Å; K417-T421 PolarHBondContact O-OG1 2.78Å; K417-Y435 HydrophobicContact CB-CD1 4.21Å; K417-Y435 HydrophobicContact CB-CE1 4.11Å; K417-Y435 HydrophobicContact CG-CD1 3.94Å; K417-Y435 HydrophobicContact CG-CE1 4.34Å; K417-I438 HydrophobicContact CG-CD1 4.49Å; K417-I438 HydrophobicContact CG-CG2 4.32Å; K417-D439 IonicContact NZ-OD1 3.59Å; K417-D439 PolarHBondContact NZ-OD1 3.37Å; K417-D439 IonicContact NZ-OD2 2.81Å; K417-D439 PolarHBondContact NZ-OD2 2.89Å
418	Q	95.8	Very high	95.6	Very high	63 Å²	63	39.7 Å²	39.7	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-44.3	173.8	-175.4	178.1	-16.9	0	0	111.3	A414 G415 F416 V420 T421 E422 I634	A414-Q418 PolarHBondContact O-N 2.9Å; A414-Q418 VanDerWaalsContact O-N 3.13Å; G415-Q418 WeakPolarHBondContact O-CB 3.44Å; G415-Q418 PolarHBondContact O-N 2.95Å; G415-Q418 VanDerWaalsContact O-N 3.14Å; F416-Q418 PolarHBondContact O-N 3.23Å; Q418-V420 PolarHBondContact O-N 2.74Å; Q418-T421 WeakPolarHBondContact O-CB 3.25Å; Q418-T421 PolarHBondContact O-N 3.47Å; Q418-E422 HydrophobicContact CG-CG 4.31Å; Q418-E422 VanDerWaalsContact CG-OE1 3.26Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.48Å; Q418-E422 PolarHBondContact NE2-OE1 3.19Å; Q418-E422 WeakPolarHBondContact O-CB 3.47Å; Q418-E422 WeakPolarHBondContact O-CG 3.38Å; Q418-E422 PolarHBondContact O-N 2.97Å; Q418-I634 HydrophobicContact CB-CG2 4.39Å; Q418-I634 VanDerWaalsContact OE1-CG2 3.23Å
419	I	94.8	Very high	95.5	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-53	-53	172.8	-76.8	171.2	0	0	0	111.1	G415 F416 T421 E422 N423 M630 I634 W724	G415-I419 PolarHBondContact O-N 3.16Å; F416-I419 HydrophobicContact CD2-CD1 4.41Å; F416-I419 HydrophobicContact CE2-CD1 4.48Å; F416-I419 WeakPolarHBondContact O-CB 3.35Å; F416-I419 PolarHBondContact O-N 2.9Å; I419-T421 VanDerWaalsContact C-N 3.27Å; I419-T421 PolarHBondContact O-N 3.12Å; I419-E422 PolarHBondContact O-N 3.04Å; I419-N423 PolarHBondContact O-N 2.81Å; I419-M630 HydrophobicContact CD1-CB 3.9Å; I419-I634 HydrophobicContact CD1-CD1 4.09Å; I419-I634 HydrophobicContact CG1-CD1 3.6Å; I419-W724 HydrophobicContact CG2-CB 4.09Å; I419-W724 HydrophobicContact CG2-CE3 4.41Å; I419-W724 WeakPolarHBondContact CG2-OXT 3.47Å
420	V	95.4	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-37.1	-179.8	173.7	0	0	0	0	111.4	F416 Q418 N423 M426 K431 T434 Y435 I438 W724	F416-V420 WeakPolarHBondContact O-CG2 3.22Å; F416-V420 PolarHBondContact O-N 3.38Å; Q418-V420 PolarHBondContact O-N 2.74Å; V420-N423 PolarHBondContact O-ND2 3.3Å; V420-M426 HydrophobicContact CG1-CE 4.34Å; V420-M426 HydrophobicContact CG1-SD 4.2Å; V420-K431 HydrophobicContact CG1-CB 4.12Å; V420-K431 HydrophobicContact CG1-CG 3.93Å; V420-K431 WeakPolarHBondContact O-CD 3.21Å; V420-K431 WeakPolarHBondContact O-CE 3.47Å; V420-K431 PolarHBondContact O-NZ 3.1Å; V420-T434 HydrophobicContact CB-CG2 4.43Å; V420-T434 HydrophobicContact CG1-CG2 3.89Å; V420-T434 HydrophobicContact CG2-CG2 3.69Å; V420-Y435 HydrophobicContact CB-CE1 3.79Å; V420-Y435 HydrophobicContact CG1-CD1 4.24Å; V420-Y435 HydrophobicContact CG1-CE1 3.55Å; V420-I438 HydrophobicContact CG2-CD1 4.3Å; V420-W724 HydrophobicContact CG2-CZ3 4.33Å
421	T	96	Very high	95.6	Very high	78 Å²	78	42.8 Å²	42.8	48%	0.479	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-48.9	176.6	-59.9	0	0	0	0	111.4	K417 Q418 I419 K431 Y435	K417-T421 WeakPolarHBondContact O-CB 2.9Å; K417-T421 PolarHBondContact O-N 3.43Å; K417-T421 PolarHBondContact O-OG1 2.78Å; Q418-T421 WeakPolarHBondContact O-CB 3.25Å; Q418-T421 PolarHBondContact O-N 3.47Å; I419-T421 VanDerWaalsContact C-N 3.27Å; I419-T421 PolarHBondContact O-N 3.12Å; T421-K431 PolarHBondContact O-NZ 3.27Å; T421-Y435 WeakPolarHBondContact CA-OH 3.46Å; T421-Y435 PolarHBondContact N-OH 3.25Å; T421-Y435 PolarHBondContact OG1-OH 3.32Å
422	E	94.6	Very high	95.5	Very high	133 Å²	133	46.4 Å²	46.4	62%	0.621	26%	0.257	S	S	*	.	H	α-helix	trans	-79.3	-20.3	-170.4	-69.6	179.5	-173.7	0	0	113.3	Q418 I419	Q418-E422 HydrophobicContact CG-CG 4.31Å; Q418-E422 VanDerWaalsContact CG-OE1 3.26Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.48Å; Q418-E422 PolarHBondContact NE2-OE1 3.19Å; Q418-E422 WeakPolarHBondContact O-CB 3.47Å; Q418-E422 WeakPolarHBondContact O-CG 3.38Å; Q418-E422 PolarHBondContact O-N 2.97Å; I419-E422 PolarHBondContact O-N 3.04Å
423	N	93.2	Very high	95.4	Very high	16 Å²	16	50.7 Å²	50.7	9%	0.086	27%	0.273	C	S	.	.			trans	-62.7	141.4	178.8	85.2	43.6	0	0	0	111.6	I419 V420 M426 K431	I419-N423 PolarHBondContact O-N 2.81Å; V420-N423 PolarHBondContact O-ND2 3.3Å; N423-M426 PolarHBondContact ND2-SD 3.33Å; N423-M426 WeakPolarHBondContact OD1-CB 3.43Å; N423-M426 PolarHBondContact OD1-N 2.82Å; N423-K431 PolarHBondContact O-NZ 3.19Å; N423-K431 WeakPolarHBondContact OD1-CE 3.17Å
424	G	94	Very high	95.4	Very high	78 Å²	78	49.9 Å²	49.9	80%	0.804	27%	0.268	S	S	*	.	S	Bend	trans	-95.6	0.6	-176.5	0	0	0	0	0	114.4
425	W	95.5	Very high	95.5	Very high	16 Å²	16	50.2 Å²	50.2	6%	0.061	26%	0.26	C	S	.	.	S	Bend	trans	-101.9	-34.3	-168.6	62.8	-92.9	0	0	0	112.6	W580 S584 K587 F588 K591 V723 W724	W425-W580 AromaticContact CH2-CH2 3.96Å; W425-W580 HydrophobicContact CH2-CH2 3.96Å; W425-W580 AromaticContact CH2-CZ3 3.83Å; W425-W580 HydrophobicContact CH2-CZ3 3.83Å; W425-W580 HydrophobicContact CZ3-CZ3 4.05Å; W425-S584 WeakPolarHBondContact CZ3-O 3.28Å; W425-K587 HydrophobicContact CB-CB 4.22Å; W425-K587 HydrophobicContact CB-CD 3.97Å; W425-K587 HydrophobicContact CE3-CB 4.15Å; W425-K587 WeakPolarHBondContact O-CD 3.34Å; W425-K587 PolarHBondContact O-NZ 3.2Å; W425-F588 HydrophobicContact CH2-CB 3.96Å; W425-F588 AromaticContact CH2-CD2 3.76Å; W425-F588 HydrophobicContact CH2-CD2 3.76Å; W425-F588 HydrophobicContact CH2-CG 4.33Å; W425-F588 HydrophobicContact CZ2-CD2 4.34Å; W425-F588 HydrophobicContact CZ3-CB 3.71Å; W425-F588 HydrophobicContact CZ3-CD2 4.39Å; W425-K591 HydrophobicContact CD2-CD 4.13Å; W425-K591 HydrophobicContact CG-CD 3.92Å; W425-V723 PolarHBondContact NE1-O 3.28Å; W425-V723 VanDerWaalsContact NE1-O 3.14Å; W425-W724 AromaticContact CH2-CH2 3.5Å; W425-W724 HydrophobicContact CH2-CH2 3.5Å; W425-W724 VanDerWaalsContact CH2-CH2 3.5Å; W425-W724 HydrophobicContact CH2-CZ2 4.15Å; W425-W724 AromaticContact CH2-CZ3 3.9Å; W425-W724 HydrophobicContact CH2-CZ3 3.9Å; W425-W724 HydrophobicContact CZ2-CE3 4.02Å; W425-W724 AromaticContact CZ2-CH2 3.48Å; W425-W724 HydrophobicContact CZ2-CH2 3.48Å; W425-W724 VanDerWaalsContact CZ2-CH2 3.48Å; W425-W724 HydrophobicContact CZ2-CZ2 4.13Å; W425-W724 AromaticContact CZ2-CZ3 3.43Å; W425-W724 HydrophobicContact CZ2-CZ3 3.43Å; W425-W724 VanDerWaalsContact CZ2-CZ3 3.43Å
426	M	96.3	Very high	95.6	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.049	28%	0.279	C	S	.	.	S	Bend	trans	-77.9	140.7	175.3	-61.8	171.1	76.3	0	0	112	V420 N423 T430 K431 T434 W580 S584 W724	V420-M426 HydrophobicContact CG1-CE 4.34Å; V420-M426 HydrophobicContact CG1-SD 4.2Å; N423-M426 PolarHBondContact ND2-SD 3.33Å; N423-M426 WeakPolarHBondContact OD1-CB 3.43Å; N423-M426 PolarHBondContact OD1-N 2.82Å; M426-T430 HydrophobicContact CE-CG2 3.4Å; M426-T430 VanDerWaalsContact CE-CG2 3.4Å; M426-T430 HydrophobicContact CG-CG2 4.49Å; M426-K431 HydrophobicContact CB-CD 4.44Å; M426-K431 HydrophobicContact CB-CG 3.74Å; M426-K431 HydrophobicContact CE-CG 4.3Å; M426-K431 WeakPolarHBondContact O-CE 3.38Å; M426-K431 HydrophobicContact SD-CG 4.35Å; M426-T434 HydrophobicContact CE-CG2 4.36Å; M426-T434 WeakPolarHBondContact CE-OG1 3.22Å; M426-W580 HydrophobicContact CE-CZ2 4.41Å; M426-S584 WeakPolarHBondContact CA-OG 3.35Å; M426-W724 HydrophobicContact SD-CH2 4.12Å; M426-W724 HydrophobicContact SD-CZ3 3.75Å
427	D	97.1	Very high	95.7	Very high	49 Å²	49	54.7 Å²	54.7	26%	0.262	28%	0.281	S	S	.	.			trans	-74.5	163.9	165.3	59.8	69.8	0	0	0	112.5	E429 T430 K431 S581 S584	D427-E429 VanDerWaalsContact C-N 3.29Å; D427-E429 PolarHBondContact O-N 2.78Å; D427-E429 PolarHBondContact OD1-N 3.24Å; D427-T430 PolarHBondContact O-N 3.37Å; D427-T430 WeakPolarHBondContact OD1-CB 3.42Å; D427-T430 PolarHBondContact OD1-N 2.9Å; D427-T430 PolarHBondContact OD1-OG1 3.42Å; D427-T430 PolarHBondContact OD2-OG1 2.82Å; D427-T430 VanDerWaalsContact OD2-OG1 3.07Å; D427-K431 WeakPolarHBondContact O-CG 3.35Å; D427-K431 PolarHBondContact O-N 2.82Å; D427-S581 VanDerWaalsContact OD2-CB 3.23Å; D427-S581 WeakPolarHBondContact OD2-CB 3.45Å; D427-S581 PolarHBondContact OD2-OG 3.04Å; D427-S584 PolarHBondContact N-OG 2.84Å; D427-S584 VanDerWaalsContact N-OG 3.11Å; D427-S584 PolarHBondContact OD2-OG 2.9Å
428	D	97	Very high	95.7	Very high	135 Å²	135	52 Å²	52	72%	0.722	27%	0.27	S	S	*	.	H	α-helix	trans	-62	-33.7	-174.9	-67.3	-23.3	0	0	0	113.1	E432	D428-E432 PolarHBondContact O-N 3.42Å
429	E	96	Very high	95.7	Very high	123 Å²	123	53.6 Å²	53.6	58%	0.575	28%	0.28	S	S	*	.	H	α-helix	trans	-68.9	-46.8	179	179.4	172.2	-170.8	0	0	110.7	D427 K431 E432 R433	D427-E429 VanDerWaalsContact C-N 3.29Å; D427-E429 PolarHBondContact O-N 2.78Å; D427-E429 PolarHBondContact OD1-N 3.24Å; E429-K431 VanDerWaalsContact C-N 3.3Å; E429-K431 PolarHBondContact O-N 3.34Å; E429-E432 PolarHBondContact O-N 3.19Å; E429-E432 VanDerWaalsContact O-N 3.15Å; E429-R433 WeakPolarHBondContact O-CG 3.49Å; E429-R433 PolarHBondContact O-N 2.73Å
430	T	96.5	Very high	95.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-38.8	176.9	-53.5	0	0	0	0	111	M426 D427 R433 T434 W580 S581 S584	M426-T430 HydrophobicContact CE-CG2 3.4Å; M426-T430 VanDerWaalsContact CE-CG2 3.4Å; M426-T430 HydrophobicContact CG-CG2 4.49Å; D427-T430 PolarHBondContact O-N 3.37Å; D427-T430 WeakPolarHBondContact OD1-CB 3.42Å; D427-T430 PolarHBondContact OD1-N 2.9Å; D427-T430 PolarHBondContact OD1-OG1 3.42Å; D427-T430 PolarHBondContact OD2-OG1 2.82Å; D427-T430 VanDerWaalsContact OD2-OG1 3.07Å; T430-R433 PolarHBondContact O-N 2.92Å; T430-T434 WeakPolarHBondContact O-CB 3.4Å; T430-T434 PolarHBondContact O-N 2.58Å; T430-T434 PolarHBondContact O-OG1 2.93Å; T430-W580 HydrophobicContact CG2-CB 3.85Å; T430-W580 HydrophobicContact CG2-CD2 3.65Å; T430-W580 HydrophobicContact CG2-CE3 4.31Å; T430-W580 HydrophobicContact CG2-CG 3.41Å; T430-W580 VanDerWaalsContact CG2-CG 3.41Å; T430-S581 PolarHBondContact OG1-N 3.38Å; T430-S584 PolarHBondContact OG1-OG 3.17Å
431	K	97	Very high	95.7	Very high	25 Å²	25	56 Å²	56	11%	0.109	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-44.4	173.2	-71.8	-179.3	-179.1	-172	0	112	V420 T421 N423 M426 D427 E429 R433 T434 Y435	V420-K431 HydrophobicContact CG1-CB 4.12Å; V420-K431 HydrophobicContact CG1-CG 3.93Å; V420-K431 WeakPolarHBondContact O-CD 3.21Å; V420-K431 WeakPolarHBondContact O-CE 3.47Å; V420-K431 PolarHBondContact O-NZ 3.1Å; T421-K431 PolarHBondContact O-NZ 3.27Å; N423-K431 PolarHBondContact O-NZ 3.19Å; N423-K431 WeakPolarHBondContact OD1-CE 3.17Å; M426-K431 HydrophobicContact CB-CD 4.44Å; M426-K431 HydrophobicContact CB-CG 3.74Å; M426-K431 HydrophobicContact CE-CG 4.3Å; M426-K431 WeakPolarHBondContact O-CE 3.38Å; M426-K431 HydrophobicContact SD-CG 4.35Å; D427-K431 WeakPolarHBondContact O-CG 3.35Å; D427-K431 PolarHBondContact O-N 2.82Å; E429-K431 VanDerWaalsContact C-N 3.3Å; E429-K431 PolarHBondContact O-N 3.34Å; K431-R433 PolarHBondContact O-N 3.01Å; K431-T434 WeakPolarHBondContact O-CB 3.48Å; K431-T434 PolarHBondContact O-N 3.44Å; K431-Y435 HydrophobicContact CB-CE2 4.12Å; K431-Y435 WeakPolarHBondContact O-CD2 3.48Å; K431-Y435 VanDerWaalsContact O-CG 3.3Å; K431-Y435 PolarHBondContact O-N 2.64Å
432	E	96.1	Very high	95.6	Very high	124 Å²	124	56 Å²	56	58%	0.579	29%	0.29	S	S	*	.	H	α-helix	trans	-60.8	-44.5	178.2	-170.2	165.7	-159.5	0	0	111.7	D428 E429 T434 Y435 E436	D428-E432 PolarHBondContact O-N 3.42Å; E429-E432 PolarHBondContact O-N 3.19Å; E429-E432 VanDerWaalsContact O-N 3.15Å; E432-T434 VanDerWaalsContact C-N 3.31Å; E432-T434 PolarHBondContact O-N 3.37Å; E432-Y435 PolarHBondContact O-N 3.32Å; E432-E436 WeakPolarHBondContact O-CG 3.44Å; E432-E436 PolarHBondContact O-N 3.44Å
433	R	95.2	Very high	95.5	Very high	89 Å²	89	53 Å²	53	34%	0.336	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-39	173.9	-63.1	-56.3	-176.3	-160.7	-7.4	113.2	E429 T430 K431 Y435 E436 K437 L579	E429-R433 WeakPolarHBondContact O-CG 3.49Å; E429-R433 PolarHBondContact O-N 2.73Å; T430-R433 PolarHBondContact O-N 2.92Å; K431-R433 PolarHBondContact O-N 3.01Å; R433-Y435 VanDerWaalsContact C-N 3.35Å; R433-E436 VanDerWaalsContact CD-OE2 3.29Å; R433-E436 WeakPolarHBondContact CD-OE2 3.45Å; R433-E436 IonicContact CZ-OE2 3.47Å; R433-E436 IonicContact NE-OE2 3.95Å; R433-E436 IonicContact NH1-OE1 2.66Å; R433-E436 PolarHBondContact NH1-OE1 3.24Å; R433-E436 IonicContact NH1-OE2 3.27Å; R433-E436 PolarHBondContact NH1-OE2 2.9Å; R433-E436 WeakPolarHBondContact O-CB 3.35Å; R433-E436 PolarHBondContact O-N 2.74Å; R433-K437 PolarHBondContact O-N 3.49Å; R433-L579 HydrophobicContact CB-CB 4.29Å; R433-L579 HydrophobicContact CG-CB 4.03Å
434	T	95.8	Very high	95.5	Very high	1 Å²	1	53 Å²	53	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-39.2	177.4	-61.3	0	0	0	0	111.2	V420 M426 T430 K431 E432 K437 I438 L563	V420-T434 HydrophobicContact CB-CG2 4.43Å; V420-T434 HydrophobicContact CG1-CG2 3.89Å; V420-T434 HydrophobicContact CG2-CG2 3.69Å; M426-T434 HydrophobicContact CE-CG2 4.36Å; M426-T434 WeakPolarHBondContact CE-OG1 3.22Å; T430-T434 WeakPolarHBondContact O-CB 3.4Å; T430-T434 PolarHBondContact O-N 2.58Å; T430-T434 PolarHBondContact O-OG1 2.93Å; K431-T434 WeakPolarHBondContact O-CB 3.48Å; K431-T434 PolarHBondContact O-N 3.44Å; E432-T434 VanDerWaalsContact C-N 3.31Å; E432-T434 PolarHBondContact O-N 3.37Å; T434-K437 PolarHBondContact O-N 2.92Å; T434-I438 HydrophobicContact CG2-CD1 3.92Å; T434-I438 VanDerWaalsContact O-CG1 3.32Å; T434-I438 WeakPolarHBondContact O-CG1 3.4Å; T434-I438 PolarHBondContact O-N 3.44Å; T434-L563 HydrophobicContact CG2-CD1 3.9Å; T434-L563 HydrophobicContact CG2-CD2 3.67Å; T434-L563 HydrophobicContact CG2-CG 4.48Å
435	Y	96.3	Very high	95.5	Very high	51 Å²	51	50 Å²	50	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-43.6	171.7	-57.9	-40.3	0	0	0	112.5	K417 V420 T421 K431 E432 R433 K437 I438 D439	K417-Y435 HydrophobicContact CB-CD1 4.21Å; K417-Y435 HydrophobicContact CB-CE1 4.11Å; K417-Y435 HydrophobicContact CG-CD1 3.94Å; K417-Y435 HydrophobicContact CG-CE1 4.34Å; V420-Y435 HydrophobicContact CB-CE1 3.79Å; V420-Y435 HydrophobicContact CG1-CD1 4.24Å; V420-Y435 HydrophobicContact CG1-CE1 3.55Å; T421-Y435 WeakPolarHBondContact CA-OH 3.46Å; T421-Y435 PolarHBondContact N-OH 3.25Å; T421-Y435 PolarHBondContact OG1-OH 3.32Å; K431-Y435 HydrophobicContact CB-CE2 4.12Å; K431-Y435 WeakPolarHBondContact O-CD2 3.48Å; K431-Y435 VanDerWaalsContact O-CG 3.3Å; K431-Y435 PolarHBondContact O-N 2.64Å; E432-Y435 PolarHBondContact O-N 3.32Å; R433-Y435 VanDerWaalsContact C-N 3.35Å; Y435-K437 PolarHBondContact O-N 3Å; Y435-I438 PolarHBondContact O-N 2.98Å; Y435-D439 VanDerWaalsContact O-CB 3.25Å; Y435-D439 WeakPolarHBondContact O-CB 3.33Å; Y435-D439 VanDerWaalsContact O-CG 3.28Å; Y435-D439 PolarHBondContact O-N 3.1Å
436	E	96.1	Very high	95.5	Very high	84 Å²	84	49.2 Å²	49.2	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-56.2	-42.2	176	-71	175.5	165.9	0	0	111.1	E432 R433 A440	E432-E436 WeakPolarHBondContact O-CG 3.44Å; E432-E436 PolarHBondContact O-N 3.44Å; R433-E436 VanDerWaalsContact CD-OE2 3.29Å; R433-E436 WeakPolarHBondContact CD-OE2 3.45Å; R433-E436 IonicContact CZ-OE2 3.47Å; R433-E436 IonicContact NE-OE2 3.95Å; R433-E436 IonicContact NH1-OE1 2.66Å; R433-E436 PolarHBondContact NH1-OE1 3.24Å; R433-E436 IonicContact NH1-OE2 3.27Å; R433-E436 PolarHBondContact NH1-OE2 2.9Å; R433-E436 WeakPolarHBondContact O-CB 3.35Å; R433-E436 PolarHBondContact O-N 2.74Å; E436-A440 VanDerWaalsContact O-CB 3.22Å; E436-A440 WeakPolarHBondContact O-CB 3.22Å; E436-A440 PolarHBondContact O-N 2.75Å; E436-A440 VanDerWaalsContact O-N 3.09Å
437	K	95.9	Very high	95.3	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-50.8	177.6	-174.9	173.1	-170.3	179.2	0	112.8	R433 T434 Y435 D439 A440 M441 N524 A562 G567 V570 A572	R433-K437 PolarHBondContact O-N 3.49Å; T434-K437 PolarHBondContact O-N 2.92Å; Y435-K437 PolarHBondContact O-N 3Å; K437-D439 VanDerWaalsContact C-N 3.34Å; K437-D439 PolarHBondContact O-N 3.11Å; K437-A440 PolarHBondContact O-N 3.46Å; K437-M441 PolarHBondContact O-N 3.2Å; K437-M441 VanDerWaalsContact O-N 3.14Å; K437-N524 PolarHBondContact O-ND2 2.72Å; K437-A562 HydrophobicContact CD-CB 4.48Å; K437-A562 WeakPolarHBondContact CD-O 3.23Å; K437-A562 VanDerWaalsContact CE-O 3.25Å; K437-A562 WeakPolarHBondContact CE-O 3.36Å; K437-A562 PolarHBondContact NZ-O 2.85Å; K437-G567 PolarHBondContact NZ-O 3.46Å; K437-V570 WeakPolarHBondContact CD-O 3.38Å; K437-V570 VanDerWaalsContact CE-O 3.27Å; K437-V570 WeakPolarHBondContact CE-O 3.49Å; K437-V570 PolarHBondContact NZ-O 3.1Å; K437-A572 HydrophobicContact CB-CB 4.33Å
438	I	95.3	Very high	95	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-42.1	179.9	-64.8	166.8	0	0	0	110.6	V413 F416 K417 V420 T434 Y435 A440 M441 L559 L563	V413-I438 HydrophobicContact CB-CG2 4.43Å; V413-I438 HydrophobicContact CG1-CG2 3.78Å; V413-I438 HydrophobicContact CG2-CG2 4.34Å; F416-I438 HydrophobicContact CB-CD1 4.48Å; F416-I438 HydrophobicContact CD1-CD1 4.37Å; K417-I438 HydrophobicContact CG-CD1 4.49Å; K417-I438 HydrophobicContact CG-CG2 4.32Å; V420-I438 HydrophobicContact CG2-CD1 4.3Å; T434-I438 HydrophobicContact CG2-CD1 3.92Å; T434-I438 VanDerWaalsContact O-CG1 3.32Å; T434-I438 WeakPolarHBondContact O-CG1 3.4Å; T434-I438 PolarHBondContact O-N 3.44Å; Y435-I438 PolarHBondContact O-N 2.98Å; I438-A440 VanDerWaalsContact C-N 3.29Å; I438-A440 PolarHBondContact O-N 3.49Å; I438-M441 WeakPolarHBondContact O-CB 3.38Å; I438-M441 PolarHBondContact O-N 3.23Å; I438-L559 HydrophobicContact CG1-CD2 4.48Å; I438-L563 HydrophobicContact CD1-CD1 4.16Å; I438-L563 HydrophobicContact CG1-CD1 4.49Å
439	D	95.5	Very high	94.6	Very high	96 Å²	96	45.2 Å²	45.2	51%	0.513	22%	0.222	S	C	.	.	H	α-helix	trans	-68.9	-28.1	179.9	-73.3	-21.7	0	0	0	112.3	K417 Y435 K437 M441	K417-D439 IonicContact NZ-OD1 3.59Å; K417-D439 PolarHBondContact NZ-OD1 3.37Å; K417-D439 IonicContact NZ-OD2 2.81Å; K417-D439 PolarHBondContact NZ-OD2 2.89Å; Y435-D439 VanDerWaalsContact O-CB 3.25Å; Y435-D439 WeakPolarHBondContact O-CB 3.33Å; Y435-D439 VanDerWaalsContact O-CG 3.28Å; Y435-D439 PolarHBondContact O-N 3.1Å; K437-D439 VanDerWaalsContact C-N 3.34Å; K437-D439 PolarHBondContact O-N 3.11Å; D439-M441 VanDerWaalsContact C-N 3.33Å
440	A	95.9	Very high	94.2	Very high	43 Å²	43	40.5 Å²	40.5	36%	0.355	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.9	175.3	0	0	0	0	0	113.7	E436 K437 I438 R442 A572	E436-A440 VanDerWaalsContact O-CB 3.22Å; E436-A440 WeakPolarHBondContact O-CB 3.22Å; E436-A440 PolarHBondContact O-N 2.75Å; E436-A440 VanDerWaalsContact O-N 3.09Å; K437-A440 PolarHBondContact O-N 3.46Å; I438-A440 VanDerWaalsContact C-N 3.29Å; I438-A440 PolarHBondContact O-N 3.49Å; A440-R442 PolarHBondContact O-N 3.38Å; A440-A572 HydrophobicContact CB-CB 3.96Å
441	M	94.8	Very high	93.9	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.069	20%	0.2	C	C	.	.			trans	-61.8	125.1	-174.9	-170.6	-178.9	-63.4	0	0	111.2	K437 I438 D439 Y519 N524 M526 L559 A562	K437-M441 PolarHBondContact O-N 3.2Å; K437-M441 VanDerWaalsContact O-N 3.14Å; I438-M441 WeakPolarHBondContact O-CB 3.38Å; I438-M441 PolarHBondContact O-N 3.23Å; D439-M441 VanDerWaalsContact C-N 3.33Å; M441-Y519 HydrophobicContact CE-CE2 4.03Å; M441-Y519 HydrophobicContact CG-CE2 4.32Å; M441-Y519 HydrophobicContact SD-CE2 4.16Å; M441-N524 CarbonylContact C-O 3.54Å; M441-N524 VanDerWaalsContact CA-O 3.32Å; M441-N524 WeakPolarHBondContact CA-O 3.4Å; M441-M526 HydrophobicContact SD-CE 3.43Å; M441-M526 WeakPolarHBondContact SD-CE 3.45Å; M441-L559 HydrophobicContact CE-CD2 4.23Å; M441-L559 HydrophobicContact CE-CG 3.87Å; M441-L559 HydrophobicContact SD-CG 4.07Å; M441-A562 HydrophobicContact CE-CB 3.37Å
442	R	93.4	Very high	93.6	Very high	78 Å²	78	43.1 Å²	43.1	29%	0.294	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	158.7	176.4	-57.7	-179.1	179.9	92	-2.9	109.7	A440 K523 N524 G525 M526	A440-R442 PolarHBondContact O-N 3.38Å; R442-K523 PolarHBondContact NH1-O 3.21Å; R442-N524 PolarHBondContact N-O 2.83Å; R442-G525 VanDerWaalsContact O-CA 3.24Å; R442-G525 WeakPolarHBondContact O-CA 3.37Å; R442-M526 PolarHBondContact O-N 2.89Å
443	R	92.8	Very high	93.2	Very high	70 Å²	70	43.6 Å²	43.6	26%	0.264	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	145.1	174.4	69	-169.8	79.8	160	5.2	112	D406 V409 N410 M526	D406-R443 WeakPolarHBondContact OD1-CD 3.42Å; D406-R443 IonicContact OD1-NH1 2.76Å; D406-R443 PolarHBondContact OD1-NH1 3.22Å; V409-R443 VanDerWaalsContact CG1-NH1 3.25Å; N410-R443 PolarHBondContact OD1-NH1 3.24Å; R443-M526 CarbonylContact C-O 3.36Å; R443-M526 WeakPolarHBondContact CA-O 3.45Å; R443-M526 HydrophobicContact CB-CG 3.63Å; R443-M526 HydrophobicContact CB-SD 4.3Å
444	V	92.4	Very high	93	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.5	166.2	-176.3	0	0	0	0	108.4	M508 M526 Y527 I528	V444-M508 HydrophobicContact CB-CG 4.13Å; V444-M508 HydrophobicContact CB-SD 4.46Å; V444-M508 HydrophobicContact CG1-CE 4.44Å; V444-M508 HydrophobicContact CG1-CG 3.62Å; V444-M508 HydrophobicContact CG1-SD 3.71Å; V444-M526 PolarHBondContact N-O 3.44Å; V444-Y527 HydrophobicContact CB-CD1 3.78Å; V444-Y527 HydrophobicContact CB-CE1 4.07Å; V444-Y527 HydrophobicContact CG2-CD1 3.86Å; V444-Y527 HydrophobicContact CG2-CE1 3.59Å; V444-I528 PolarHBondContact O-N 2.94Å
445	V	94.7	Very high	92.8	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.4	-176.3	179.6	0	0	0	0	109.7	V402 V405 Y447 I528 I533	V402-V445 HydrophobicContact CG1-CB 4.26Å; V402-V445 HydrophobicContact CG1-CG1 4.17Å; V405-V445 HydrophobicContact CB-CG1 3.74Å; V405-V445 HydrophobicContact CG1-CG1 3.51Å; V445-Y447 PolarHBondContact O-N 3.21Å; V445-I528 HydrophobicContact CG2-CD1 4.03Å; V445-I533 HydrophobicContact CG1-CD1 3.96Å
446	G	94.9	Very high	92.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.8	-70.4	-179.3	0	0	0	0	0	112.2	I528 P529 A530	G446-I528 PolarHBondContact N-O 3.29Å; G446-P529 CarbonylContact O-C 3.49Å; G446-A530 PolarHBondContact O-N 3.02Å
447	Y	93	Very high	92.5	Very high	41 Å²	41	44.1 Å²	44.1	16%	0.161	23%	0.232	C	C	.	.			trans	-161.5	156.6	-173.1	51.3	-98	0	0	0	114.6	I392 F397 D399 V402 V445 M451 F452	I392-Y447 HydrophobicContact CD1-CD1 3.41Å; I392-Y447 VanDerWaalsContact CD1-CD1 3.41Å; I392-Y447 HydrophobicContact CD1-CE1 4.2Å; I392-Y447 HydrophobicContact CD1-CG 3.69Å; I392-Y447 HydrophobicContact CG1-CD1 4.05Å; I392-Y447 HydrophobicContact CG2-CD1 4.26Å; I392-Y447 HydrophobicContact CG2-CE1 3.94Å; F397-Y447 AromaticContact CD1-CD1 4Å; F397-Y447 HydrophobicContact CD1-CD1 4Å; F397-Y447 AromaticContact CD1-CE1 3.69Å; F397-Y447 HydrophobicContact CD1-CE1 3.69Å; F397-Y447 AromaticContact CE1-CD1 3.64Å; F397-Y447 HydrophobicContact CE1-CD1 3.64Å; F397-Y447 AromaticContact CE1-CE1 3.51Å; F397-Y447 HydrophobicContact CE1-CE1 3.51Å; D399-Y447 PolarHBondContact OD1-OH 2.62Å; V402-Y447 HydrophobicContact CG2-CE1 4.16Å; V445-Y447 PolarHBondContact O-N 3.21Å; Y447-M451 HydrophobicContact CD2-CE 4.3Å; Y447-M451 HydrophobicContact CG-CE 3.94Å; Y447-F452 HydrophobicContact CD2-CD2 4.07Å; Y447-F452 AromaticContact CD2-CE2 3.73Å; Y447-F452 HydrophobicContact CD2-CE2 3.73Å; Y447-F452 HydrophobicContact CE1-CE2 4.41Å; Y447-F452 AromaticContact CE2-CD2 3.83Å; Y447-F452 HydrophobicContact CE2-CD2 3.83Å; Y447-F452 AromaticContact CE2-CE2 3.56Å; Y447-F452 HydrophobicContact CE2-CE2 3.56Å; Y447-F452 HydrophobicContact CG-CE2 4.28Å; Y447-F452 AromaticContact CZ-CE2 3.93Å
448	P	90.9	Very high	92.2	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.026	24%	0.242	C	C	.	.			trans	-83.9	144	176.2	38.9	-37.6	0	0	0	110.9	M385 L450 M451 S506 M508	M385-P448 HydrophobicContact CE-CG 4.34Å; M385-P448 HydrophobicContact SD-CG 3.96Å; P448-L450 HydrophobicContact CB-CD2 3.57Å; P448-L450 HydrophobicContact CG-CD2 3.72Å; P448-L450 HydrophobicContact CG-CG 4.49Å; P448-L450 PolarHBondContact O-N 2.67Å; P448-L450 VanDerWaalsContact O-N 3.12Å; P448-M451 HydrophobicContact CG-CG 4.13Å; P448-M451 PolarHBondContact O-N 3.21Å; P448-S506 VanDerWaalsContact CB-O 3.27Å; P448-S506 WeakPolarHBondContact CB-O 3.26Å; P448-M508 HydrophobicContact CB-CG 4.5Å; P448-M508 HydrophobicContact CG-CG 4.35Å
449	A	87.8	Confident	92	Very high	66 Å²	66	46.6 Å²	46.6	55%	0.545	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.8	-171.5	0	0	0	0	0	114.3	M451 F452 N453	A449-M451 PolarHBondContact O-N 3.28Å; A449-F452 PolarHBondContact O-N 2.94Å; A449-N453 PolarHBondContact O-ND2 3.03Å
450	L	88.8	Confident	91.8	Very high	24 Å²	24	43.2 Å²	43.2	13%	0.126	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-28.4	179.2	68.8	139.6	0	0	0	113.2	P448 F452 N453 S454 L455 Y458 L507	P448-L450 HydrophobicContact CB-CD2 3.57Å; P448-L450 HydrophobicContact CG-CD2 3.72Å; P448-L450 HydrophobicContact CG-CG 4.49Å; P448-L450 PolarHBondContact O-N 2.67Å; P448-L450 VanDerWaalsContact O-N 3.12Å; L450-F452 PolarHBondContact O-N 3.47Å; L450-F452 VanDerWaalsContact O-N 3.14Å; L450-N453 PolarHBondContact O-N 3.08Å; L450-S454 CarbonylContact O-C 3.57Å; L450-S454 PolarHBondContact O-N 3.06Å; L450-L455 PolarHBondContact O-N 3.07Å; L450-Y458 HydrophobicContact CD1-CD2 3.8Å; L450-Y458 HydrophobicContact CD1-CE2 4.4Å; L450-Y458 HydrophobicContact CD1-CG 3.95Å; L450-L507 HydrophobicContact CD1-CD2 4.1Å; L450-L507 HydrophobicContact CD2-CD2 3.2Å; L450-L507 HydrophobicContact CG-CD2 4.26Å
451	M	89.5	Confident	91.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-29.8	-173.2	-66.7	-161.8	-47.8	0	0	112.7	M385 K389 I392 Y447 P448 A449 P512	M385-M451 HydrophobicContact CB-CG 4.38Å; M385-M451 HydrophobicContact CB-SD 4.25Å; M385-M451 HydrophobicContact SD-CG 4.22Å; M385-M451 HydrophobicContact SD-SD 3.97Å; K389-M451 VanDerWaalsContact CD-O 3.3Å; K389-M451 WeakPolarHBondContact CD-O 3.47Å; K389-M451 VanDerWaalsContact CE-O 3.3Å; K389-M451 WeakPolarHBondContact CE-O 3.49Å; K389-M451 PolarHBondContact NZ-O 3.03Å; I392-M451 HydrophobicContact CD1-CE 3.27Å; Y447-M451 HydrophobicContact CD2-CE 4.3Å; Y447-M451 HydrophobicContact CG-CE 3.94Å; P448-M451 HydrophobicContact CG-CG 4.13Å; P448-M451 PolarHBondContact O-N 3.21Å; A449-M451 PolarHBondContact O-N 3.28Å; M451-P512 HydrophobicContact CE-CB 4.24Å; M451-P512 HydrophobicContact CE-CG 3.91Å; M451-P512 HydrophobicContact SD-CB 4.46Å; M451-P512 HydrophobicContact SD-CG 3.65Å
452	F	89.8	Confident	91.2	Very high	79 Å²	79	41.5 Å²	41.5	35%	0.346	21%	0.212	S	C	.	.	H	α-helix	trans	-98.2	-9.9	179.2	-65.3	-78.3	0	0	0	113.4	K389 I392 T393 Y447 A449 L450	K389-F452 HydrophobicContact CG-CD1 4.44Å; K389-F452 HydrophobicContact CG-CE1 3.94Å; K389-F452 HydrophobicContact CG-CZ 4.25Å; I392-F452 HydrophobicContact CB-CZ 4.24Å; I392-F452 HydrophobicContact CD1-CE2 4.47Å; I392-F452 HydrophobicContact CG2-CE2 4.35Å; I392-F452 HydrophobicContact CG2-CZ 3.77Å; T393-F452 HydrophobicContact CG2-CE1 4Å; Y447-F452 HydrophobicContact CD2-CD2 4.07Å; Y447-F452 AromaticContact CD2-CE2 3.73Å; Y447-F452 HydrophobicContact CD2-CE2 3.73Å; Y447-F452 HydrophobicContact CE1-CE2 4.41Å; Y447-F452 AromaticContact CE2-CD2 3.83Å; Y447-F452 HydrophobicContact CE2-CD2 3.83Å; Y447-F452 AromaticContact CE2-CE2 3.56Å; Y447-F452 HydrophobicContact CE2-CE2 3.56Å; Y447-F452 HydrophobicContact CG-CE2 4.28Å; Y447-F452 AromaticContact CZ-CE2 3.93Å; A449-F452 PolarHBondContact O-N 2.94Å; L450-F452 PolarHBondContact O-N 3.47Å; L450-F452 VanDerWaalsContact O-N 3.14Å
453	N	88.3	Confident	91.2	Very high	134 Å²	134	39.5 Å²	39.5	72%	0.717	21%	0.207	S	C	*	.	H	α-helix	trans	-115.1	-31.9	-172	-66.3	-49.7	0	0	0	114.2	A449 L450	A449-N453 PolarHBondContact O-ND2 3.03Å; L450-N453 PolarHBondContact O-N 3.08Å
454	S	90.9	Very high	90.9	Very high	40 Å²	40	38.4 Å²	38.4	28%	0.28	21%	0.205	S	C	.	.	S	Bend	trans	-154.6	31.1	-166.3	59	0	0	0	0	113.3	L450 E457 Y458	L450-S454 CarbonylContact O-C 3.57Å; L450-S454 PolarHBondContact O-N 3.06Å; S454-E457 WeakPolarHBondContact O-CB 3.42Å; S454-E457 PolarHBondContact O-N 3.32Å; S454-Y458 PolarHBondContact O-N 2.91Å
455	L	92.4	Very high	90.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-39.6	-176.7	-169.3	63.8	0	0	0	113.2	S64 M65 M385 A386 K389 L450 E457 Y458 Y459	S64-L455 WeakPolarHBondContact OG-CD2 3.17Å; M65-L455 HydrophobicContact CE-CD2 3.68Å; M385-L455 HydrophobicContact CB-CD1 3.88Å; A386-L455 HydrophobicContact CB-CD2 4.22Å; K389-L455 HydrophobicContact CB-CD2 4.31Å; K389-L455 HydrophobicContact CD-CD2 3.74Å; L450-L455 PolarHBondContact O-N 3.07Å; L455-E457 VanDerWaalsContact C-N 3.28Å; L455-E457 PolarHBondContact O-N 3.31Å; L455-Y458 WeakPolarHBondContact O-CB 3.45Å; L455-Y458 PolarHBondContact O-N 2.91Å; L455-Y459 HydrophobicContact CD1-CD2 3.99Å; L455-Y459 HydrophobicContact CD1-CE2 3.5Å; L455-Y459 VanDerWaalsContact CD1-CE2 3.5Å; L455-Y459 HydrophobicContact CG-CD2 4.02Å; L455-Y459 HydrophobicContact CG-CE2 3.88Å; L455-Y459 WeakPolarHBondContact O-CD2 3.43Å; L455-Y459 PolarHBondContact O-N 3.21Å; L455-Y459 VanDerWaalsContact O-N 3.14Å
456	D	93.9	Very high	89.7	Confident	48 Å²	48	48.7 Å²	48.7	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-66.6	-30.7	175.2	-78.8	7.1	0	0	0	112.2	R63 S64 Y459 S460 L463	R63-D456 WeakPolarHBondContact CB-OD2 3.45Å; R63-D456 PolarHBondContact N-OD1 3.08Å; R63-D456 PolarHBondContact N-OD2 3Å; S64-D456 WeakPolarHBondContact CB-OD1 3.21Å; S64-D456 PolarHBondContact N-OD1 3.42Å; S64-D456 PolarHBondContact OG-OD1 3.36Å; D456-Y459 CarbonylContact O-C 3.59Å; D456-S460 WeakPolarHBondContact O-CA 3.18Å; D456-S460 PolarHBondContact O-N 3.16Å; D456-L463 HydrophobicContact CB-CD1 4.38Å
457	E	92.3	Very high	88.6	Confident	146 Å²	146	52 Å²	52	68%	0.682	27%	0.269	S	S	*	.	H	α-helix	trans	-69.6	-42.8	174.7	-176.7	175.7	-175.3	0	0	110.9	S454 L455 Y459 S460	S454-E457 WeakPolarHBondContact O-CB 3.42Å; S454-E457 PolarHBondContact O-N 3.32Å; L455-E457 VanDerWaalsContact C-N 3.28Å; L455-E457 PolarHBondContact O-N 3.31Å; E457-Y459 VanDerWaalsContact C-N 3.29Å; E457-Y459 PolarHBondContact O-N 2.95Å; E457-S460 VanDerWaalsContact O-CB 3.28Å; E457-S460 WeakPolarHBondContact O-CB 3.45Å; E457-S460 PolarHBondContact O-N 3.05Å; E457-S460 VanDerWaalsContact O-N 3.1Å; E457-S460 PolarHBondContact O-OG 3.4Å
458	Y	88.7	Confident	87.6	Confident	62 Å²	62	52.2 Å²	52.2	24%	0.243	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-42.6	175	179.9	-99.5	0	0	0	112	M385 L450 S454 L455 W490	M385-Y458 HydrophobicContact CG-CE1 4.35Å; L450-Y458 HydrophobicContact CD1-CD2 3.8Å; L450-Y458 HydrophobicContact CD1-CE2 4.4Å; L450-Y458 HydrophobicContact CD1-CG 3.95Å; S454-Y458 PolarHBondContact O-N 2.91Å; L455-Y458 WeakPolarHBondContact O-CB 3.45Å; L455-Y458 PolarHBondContact O-N 2.91Å; Y458-W490 HydrophobicContact CD1-CH2 4.49Å; Y458-W490 HydrophobicContact CD1-CZ2 4.47Å; Y458-W490 AromaticContact CE1-CH2 3.71Å; Y458-W490 HydrophobicContact CE1-CH2 3.71Å; Y458-W490 HydrophobicContact CE1-CZ2 4.02Å
459	Y	90.9	Very high	86.6	Confident	3 Å²	3	60.7 Å²	60.7	1%	0.012	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	9.8	177.8	-65.2	-60.4	0	0	0	114.6	I383 M385 A386 L455 D456 E457 P461 L462 L463 W490	I383-Y459 VanDerWaalsContact CA-OH 3.28Å; I383-Y459 WeakPolarHBondContact CA-OH 3.45Å; I383-Y459 HydrophobicContact CB-CE1 4.29Å; I383-Y459 HydrophobicContact CG2-CD1 4.36Å; I383-Y459 HydrophobicContact CG2-CE1 3.93Å; I383-Y459 PolarHBondContact O-OH 3.16Å; M385-Y459 HydrophobicContact CB-CE2 4.48Å; M385-Y459 WeakPolarHBondContact CB-OH 2.93Å; M385-Y459 PolarHBondContact N-OH 3.3Å; A386-Y459 HydrophobicContact CB-CE2 4Å; A386-Y459 PolarHBondContact N-OH 3.44Å; L455-Y459 HydrophobicContact CD1-CD2 3.99Å; L455-Y459 HydrophobicContact CD1-CE2 3.5Å; L455-Y459 VanDerWaalsContact CD1-CE2 3.5Å; L455-Y459 HydrophobicContact CG-CD2 4.02Å; L455-Y459 HydrophobicContact CG-CE2 3.88Å; L455-Y459 WeakPolarHBondContact O-CD2 3.43Å; L455-Y459 PolarHBondContact O-N 3.21Å; L455-Y459 VanDerWaalsContact O-N 3.14Å; D456-Y459 CarbonylContact O-C 3.59Å; E457-Y459 VanDerWaalsContact C-N 3.29Å; E457-Y459 PolarHBondContact O-N 2.95Å; Y459-P461 VanDerWaalsContact C-N 3.3Å; Y459-P461 VanDerWaalsContact O-N 3.1Å; Y459-L462 HydrophobicContact CD1-CD1 3.81Å; Y459-L462 WeakPolarHBondContact O-CB 3.13Å; Y459-L462 PolarHBondContact O-N 3.11Å; Y459-L463 WeakPolarHBondContact O-CG 3.16Å; Y459-L463 PolarHBondContact O-N 2.74Å; Y459-W490 AromaticContact CD1-CH2 3.71Å; Y459-W490 HydrophobicContact CD1-CH2 3.71Å; Y459-W490 AromaticContact CD1-CZ2 3.81Å; Y459-W490 HydrophobicContact CD1-CZ2 3.81Å; Y459-W490 HydrophobicContact CD1-CZ3 4.37Å; Y459-W490 AromaticContact CE1-CH2 3.52Å; Y459-W490 HydrophobicContact CE1-CH2 3.52Å; Y459-W490 HydrophobicContact CE1-CZ2 4.1Å; Y459-W490 HydrophobicContact CE1-CZ3 4.08Å
460	S	91.5	Very high	86	Confident	24 Å²	24	59.1 Å²	59.1	17%	0.168	29%	0.294	C	S	.	.	H	α-helix	trans	-52.1	-35.5	-174.2	57.5	0	0	0	0	115.6	D456 E457 L462 L463 E464	D456-S460 WeakPolarHBondContact O-CA 3.18Å; D456-S460 PolarHBondContact O-N 3.16Å; E457-S460 VanDerWaalsContact O-CB 3.28Å; E457-S460 WeakPolarHBondContact O-CB 3.45Å; E457-S460 PolarHBondContact O-N 3.05Å; E457-S460 VanDerWaalsContact O-N 3.1Å; E457-S460 PolarHBondContact O-OG 3.4Å; S460-L462 PolarHBondContact O-N 3.23Å; S460-L463 PolarHBondContact O-N 3.43Å; S460-L463 VanDerWaalsContact O-N 3.12Å; S460-E464 PolarHBondContact O-N 3.45Å
461	P	88.1	Confident	85.8	Confident	21 Å²	21	59.6 Å²	59.6	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-69.5	-17.6	176.5	-18.3	33.6	0	0	0	114.8	Y459 T472	Y459-P461 VanDerWaalsContact C-N 3.3Å; Y459-P461 VanDerWaalsContact O-N 3.1Å; P461-T472 PolarHBondContact O-OG1 3.39Å
462	L	90.8	Very high	85.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-88	-19.3	173.3	-62.7	176.6	0	0	0	112.1	L67 I383 Y459 S460 V473 I474 L487 W490	L67-L462 HydrophobicContact CD2-CB 3.97Å; L67-L462 HydrophobicContact CD2-CD1 4.02Å; I383-L462 HydrophobicContact CG2-CD1 4.21Å; Y459-L462 HydrophobicContact CD1-CD1 3.81Å; Y459-L462 WeakPolarHBondContact O-CB 3.13Å; Y459-L462 PolarHBondContact O-N 3.11Å; S460-L462 PolarHBondContact O-N 3.23Å; L462-V473 WeakPolarHBondContact O-CA 3.27Å; L462-I474 HydrophobicContact CD2-CD1 4.24Å; L462-I474 PolarHBondContact O-N 2.66Å; L462-L487 HydrophobicContact CD1-CD2 3.66Å; L462-L487 HydrophobicContact CD2-CD2 4.17Å; L462-W490 HydrophobicContact CD1-CD2 3.85Å; L462-W490 HydrophobicContact CD1-CE3 3.94Å; L462-W490 HydrophobicContact CD1-CG 4.22Å; L462-W490 HydrophobicContact CD1-CZ3 4.37Å; L462-W490 HydrophobicContact CD2-CB 3.49Å; L462-W490 VanDerWaalsContact CD2-CB 3.49Å; L462-W490 HydrophobicContact CD2-CD2 4.15Å; L462-W490 HydrophobicContact CD2-CG 3.64Å; L462-W490 HydrophobicContact CG-CB 4.23Å; L462-W490 HydrophobicContact CG-CD2 3.96Å; L462-W490 HydrophobicContact CG-CG 3.8Å
463	L	91.9	Very high	85.8	Confident	37 Å²	37	56.2 Å²	56.2	19%	0.194	29%	0.291	C	S	.	.	H	α-helix	trans	-106.9	-27.4	-167.4	-62.4	175	0	0	0	114	R63 L67 D456 Y459 S460	R63-L463 HydrophobicContact CB-CD1 3.85Å; R63-L463 HydrophobicContact CB-CD2 4.11Å; R63-L463 HydrophobicContact CB-CG 4.49Å; L67-L463 HydrophobicContact CB-CD2 3.91Å; L67-L463 HydrophobicContact CD2-CD2 3.9Å; L67-L463 HydrophobicContact CG-CD2 4.46Å; D456-L463 HydrophobicContact CB-CD1 4.38Å; Y459-L463 WeakPolarHBondContact O-CG 3.16Å; Y459-L463 PolarHBondContact O-N 2.74Å; S460-L463 PolarHBondContact O-N 3.43Å; S460-L463 VanDerWaalsContact O-N 3.12Å
464	E	87.4	Confident	85.9	Confident	47 Å²	47	50.5 Å²	50.5	22%	0.22	26%	0.26	C	S	.	.			trans	-139.6	129.2	-170.8	-58.9	-175.3	153.7	0	0	113.7	R63 S460 Q466 H467 D468	R63-E464 IonicContact CZ-OE1 3.62Å; R63-E464 IonicContact NH1-OE1 2.61Å; R63-E464 PolarHBondContact NH1-OE1 3.37Å; R63-E464 IonicContact NH2-OE1 3.95Å; S460-E464 PolarHBondContact O-N 3.45Å; E464-Q466 HydrophobicContact CB-CG 4.13Å; E464-Q466 PolarHBondContact O-N 2.82Å; E464-Q466 VanDerWaalsContact O-N 3.08Å; E464-Q466 PolarHBondContact OE2-NE2 2.67Å; E464-H467 PolarHBondContact O-N 3.07Å; E464-H467 IonicContact OE2-CE1 2.82Å; E464-H467 PolarHBondContact OE2-CE1 3.22Å; E464-H467 IonicContact OE2-ND1 2.78Å; E464-H467 PolarHBondContact OE2-ND1 3Å; E464-D468 PolarHBondContact O-N 2.87Å
465	D	80.9	Confident	85.9	Confident	100 Å²	100	53 Å²	53	54%	0.535	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-55.7	-31.6	-179.9	-62.9	-35.9	0	0	0	113.4	H467 D468 V473 Y475	D465-H467 PolarHBondContact O-N 3.24Å; D465-D468 WeakPolarHBondContact O-CB 3.49Å; D465-D468 PolarHBondContact O-N 3.24Å; D465-D468 VanDerWaalsContact O-N 3.12Å; D465-V473 WeakPolarHBondContact OD1-CG2 3.39Å; D465-Y475 PolarHBondContact OD1-OH 2.91Å
466	Q	80.5	Confident	85.7	Confident	144 Å²	144	58.2 Å²	58.2	67%	0.673	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-69.3	-18.5	-179.4	68.8	-168.1	-6.3	0	0	113.4	E464	E464-Q466 HydrophobicContact CB-CG 4.13Å; E464-Q466 PolarHBondContact O-N 2.82Å; E464-Q466 VanDerWaalsContact O-N 3.08Å; E464-Q466 PolarHBondContact OE2-NE2 2.67Å
467	H	73.3	Confident	85.5	Confident	71 Å²	71	62.1 Å²	62.1	33%	0.329	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-106	3.6	175.3	-60.1	114.8	0	0	0	111.6	E464 D465 F469	E464-H467 PolarHBondContact O-N 3.07Å; E464-H467 IonicContact OE2-CE1 2.82Å; E464-H467 PolarHBondContact OE2-CE1 3.22Å; E464-H467 IonicContact OE2-ND1 2.78Å; E464-H467 PolarHBondContact OE2-ND1 3Å; D465-H467 PolarHBondContact O-N 3.24Å; H467-F469 WeakPolarHBondContact O-CD2 3.3Å; H467-F469 PolarHBondContact O-N 3.1Å
468	D	71.8	Confident	85.5	Confident	45 Å²	45	56.3 Å²	56.3	24%	0.241	30%	0.297	C	S	.	.			trans	-86.4	97.4	-178.5	-170.8	9.5	0	0	0	111.8	E464 D465 C470 G471 T472 V473	E464-D468 PolarHBondContact O-N 2.87Å; D465-D468 WeakPolarHBondContact O-CB 3.49Å; D465-D468 PolarHBondContact O-N 3.24Å; D465-D468 VanDerWaalsContact O-N 3.12Å; D468-C470 PolarHBondContact OD1-N 2.8Å; D468-C470 VanDerWaalsContact OD1-N 3.12Å; D468-G471 VanDerWaalsContact OD1-CA 3.25Å; D468-G471 WeakPolarHBondContact OD1-CA 3.46Å; D468-G471 PolarHBondContact OD1-N 3.17Å; D468-G471 WeakPolarHBondContact OD2-CA 3.39Å; D468-T472 PolarHBondContact OD1-N 3.07Å; D468-T472 PolarHBondContact OD1-OG1 2.95Å; D468-T472 PolarHBondContact OD2-N 3.49Å; D468-V473 HydrophobicContact CB-CG2 3.45Å; D468-V473 VanDerWaalsContact CB-CG2 3.45Å
469	F	69.6	Low	85.7	Confident	182 Å²	182	55.3 Å²	55.3	80%	0.798	31%	0.306	S	S	*	.	S	Bend	trans	-91.1	-17.5	173.9	-67.9	-83.5	0	0	0	112.8	H467	H467-F469 WeakPolarHBondContact O-CD2 3.3Å; H467-F469 PolarHBondContact O-N 3.1Å
470	C	75.7	Confident	85.7	Confident	32 Å²	32	55.6 Å²	55.6	22%	0.216	31%	0.308	C	S	.	.	S	Bend	trans	-125.8	5.3	-164.2	-56.9	0	0	0	0	113.5	D468 T472 H493	D468-C470 PolarHBondContact OD1-N 2.8Å; D468-C470 VanDerWaalsContact OD1-N 3.12Å; C470-T472 HydrophobicContact CB-CG2 3.71Å; C470-H493 PolarHBondContact SG-CD2 3.18Å
471	G	83.5	Confident	85.7	Confident	34 Å²	34	54.6 Å²	54.6	35%	0.351	30%	0.3	S	S	.	.	S	Bend	trans	71.2	37.6	-173.1	0	0	0	0	0	112.3	D468 R485	D468-G471 VanDerWaalsContact OD1-CA 3.25Å; D468-G471 WeakPolarHBondContact OD1-CA 3.46Å; D468-G471 PolarHBondContact OD1-N 3.17Å; D468-G471 WeakPolarHBondContact OD2-CA 3.39Å; G471-R485 PolarHBondContact O-NH2 3.43Å
472	T	88.3	Confident	85.8	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	30%	0.301	C	S	.	.			trans	-102.4	-7.2	-170.9	53.8	0	0	0	0	114.2	P461 D468 C470 I474 W490	P461-T472 PolarHBondContact O-OG1 3.39Å; D468-T472 PolarHBondContact OD1-N 3.07Å; D468-T472 PolarHBondContact OD1-OG1 2.95Å; D468-T472 PolarHBondContact OD2-N 3.49Å; C470-T472 HydrophobicContact CB-CG2 3.71Å; T472-I474 PolarHBondContact O-N 2.92Å; T472-W490 HydrophobicContact CG2-CB 4.02Å
473	V	91.4	Very high	85.8	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.036	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-59.7	127.9	176.6	-177.2	0	0	0	0	110.5	L462 D465 D468 Y475 K486	L462-V473 WeakPolarHBondContact O-CA 3.27Å; D465-V473 WeakPolarHBondContact OD1-CG2 3.39Å; D468-V473 HydrophobicContact CB-CG2 3.45Å; D468-V473 VanDerWaalsContact CB-CG2 3.45Å; V473-Y475 HydrophobicContact CB-CE1 4.38Å; V473-Y475 HydrophobicContact CB-CE2 4.39Å; V473-Y475 HydrophobicContact CG1-CD1 4.16Å; V473-Y475 HydrophobicContact CG1-CE1 3.71Å; V473-Y475 HydrophobicContact CG1-CE2 4.48Å; V473-K486 VanDerWaalsContact O-CD 3.29Å; V473-K486 WeakPolarHBondContact O-CD 3.45Å; V473-K486 VanDerWaalsContact O-CE 3.3Å; V473-K486 WeakPolarHBondContact O-CE 3.42Å; V473-K486 PolarHBondContact O-NZ 3.08Å
474	I	91	Very high	85.6	Confident	14 Å²	14	53.9 Å²	53.9	7%	0.072	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-89.8	123.2	176.1	-68.4	167.1	0	0	0	109.1	L67 L462 T472 I483 K486 L487	L67-I474 HydrophobicContact CD1-CB 3.88Å; L67-I474 HydrophobicContact CD1-CD1 3.65Å; L67-I474 HydrophobicContact CD1-CG1 4.36Å; L67-I474 HydrophobicContact CD1-CG2 3.75Å; L462-I474 HydrophobicContact CD2-CD1 4.24Å; L462-I474 PolarHBondContact O-N 2.66Å; T472-I474 PolarHBondContact O-N 2.92Å; I474-I483 HydrophobicContact CD1-CG2 4.3Å; I474-I483 HydrophobicContact CG2-CD1 4.12Å; I474-I483 HydrophobicContact CG2-CG1 4.02Å; I474-K486 HydrophobicContact CG1-CB 4.05Å; I474-K486 HydrophobicContact CG1-CD 3.98Å; I474-L487 HydrophobicContact CD1-CD2 3.77Å; I474-L487 HydrophobicContact CD1-CG 3.93Å
475	Y	91	Very high	85.6	Confident	93 Å²	93	52 Å²	52	37%	0.365	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-103.9	152.5	176.8	-59.6	-68.5	0	0	0	110.7	Q70 D465 V473 T477 D478	Q70-Y475 PolarHBondContact NE2-O 2.89Å; D465-Y475 PolarHBondContact OD1-OH 2.91Å; V473-Y475 HydrophobicContact CB-CE1 4.38Å; V473-Y475 HydrophobicContact CB-CE2 4.39Å; V473-Y475 HydrophobicContact CG1-CD1 4.16Å; V473-Y475 HydrophobicContact CG1-CE1 3.71Å; V473-Y475 HydrophobicContact CG1-CE2 4.48Å; Y475-T477 PolarHBondContact O-N 3.47Å; Y475-D478 PolarHBondContact N-OD2 2.87Å; Y475-D478 WeakPolarHBondContact O-CB 3.08Å; Y475-D478 PolarHBondContact O-N 3.27Å
476	P	86.6	Confident	86.1	Confident	111 Å²	111	47.7 Å²	47.7	72%	0.721	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-15.5	175.6	-27.5	36.1	0	0	0	115.5
477	T	90.7	Very high	86.4	Confident	130 Å²	130	40.9 Å²	40.9	80%	0.798	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-3.1	179.9	54.6	0	0	0	0	113.7	Y475	Y475-T477 PolarHBondContact O-N 3.47Å
478	D	92.4	Very high	86.9	Confident	23 Å²	23	37.7 Å²	37.7	12%	0.123	22%	0.215	C	C	.	.			trans	-72.6	138.8	178.5	-66.1	-33.8	0	0	0	110.5	Y475 E482 I483 K486	Y475-D478 PolarHBondContact N-OD2 2.87Å; Y475-D478 WeakPolarHBondContact O-CB 3.08Å; Y475-D478 PolarHBondContact O-N 3.27Å; D478-E482 HydrophobicContact CB-CB 4.38Å; D478-E482 HydrophobicContact CB-CG 4.21Å; D478-I483 HydrophobicContact CB-CD1 4.34Å; D478-I483 HydrophobicContact CB-CG1 3.78Å; D478-K486 VanDerWaalsContact CG-NZ 3.26Å; D478-K486 IonicContact OD1-NZ 2.67Å; D478-K486 PolarHBondContact OD1-NZ 3.34Å; D478-K486 IonicContact OD2-NZ 2.76Å; D478-K486 PolarHBondContact OD2-NZ 3.16Å
479	G	92.5	Very high	87.6	Confident	41 Å²	41	35.5 Å²	35.5	42%	0.423	20%	0.204	S	C	.	.			trans	-82.7	170.4	171	0	0	0	0	0	111.9	L481 E482 I483	G479-L481 PolarHBondContact O-N 3.38Å; G479-E482 PolarHBondContact O-N 3.09Å; G479-E482 VanDerWaalsContact O-N 3.1Å; G479-I483 PolarHBondContact O-N 3.26Å
480	F	91.3	Very high	88.5	Confident	10 Å²	10	27.3 Å²	27.3	4%	0.044	17%	0.167	C	C	.	.	H	α-helix	trans	-55.3	-49.3	-173.5	-172.6	-131.2	0	0	0	113.8	I74 C75 V81 F304 R329 Y336 E482 I483 N484	I74-F480 HydrophobicContact CG2-CB 3.85Å; I74-F480 HydrophobicContact CG2-CD2 4.38Å; C75-F480 HydrophobicContact CB-CD2 3.94Å; C75-F480 HydrophobicContact CB-CE2 3.5Å; C75-F480 HydrophobicContact CB-CZ 4.03Å; V81-F480 HydrophobicContact CG2-CB 3.89Å; F304-F480 HydrophobicContact CB-CD1 4.23Å; F304-F480 HydrophobicContact CB-CE1 4.36Å; F304-F480 HydrophobicContact CD1-CD1 4.12Å; F304-F480 AromaticContact CD1-CE1 3.54Å; F304-F480 HydrophobicContact CD1-CE1 3.54Å; F304-F480 AromaticContact CD1-CZ 3.89Å; F304-F480 HydrophobicContact CD1-CZ 3.89Å; F304-F480 HydrophobicContact CE1-CE1 4.37Å; F304-F480 HydrophobicContact CE1-CZ 4.33Å; F304-F480 HydrophobicContact CG-CE1 4.42Å; R329-F480 VanDerWaalsContact NH2-CE1 3.33Å; Y336-F480 HydrophobicContact CD1-CE2 4.03Å; Y336-F480 HydrophobicContact CD1-CZ 4.24Å; Y336-F480 AromaticContact CE1-CE2 3.71Å; Y336-F480 HydrophobicContact CE1-CE2 3.71Å; Y336-F480 HydrophobicContact CE1-CZ 4.21Å; F480-E482 VanDerWaalsContact C-N 3.34Å; F480-E482 PolarHBondContact O-N 3.43Å; F480-I483 WeakPolarHBondContact O-CB 3.13Å; F480-I483 PolarHBondContact O-N 3.48Å; F480-N484 PolarHBondContact O-N 3.03Å
481	L	90.4	Very high	88.9	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-35.9	177.9	-176.4	148	0	0	0	113.1	P88 L89 L92 Q301 F304 L305 G479 N484 R485	P88-L481 HydrophobicContact CB-CB 3.99Å; P88-L481 HydrophobicContact CB-CD1 4.42Å; P88-L481 HydrophobicContact CB-CD2 3.82Å; P88-L481 HydrophobicContact CB-CG 4.31Å; L89-L481 HydrophobicContact CB-CD1 4.12Å; L89-L481 HydrophobicContact CD1-CD1 4.43Å; L92-L481 HydrophobicContact CB-CD2 4.3Å; L92-L481 HydrophobicContact CD1-CD2 3.7Å; Q301-L481 HydrophobicContact CB-CD1 4.42Å; F304-L481 HydrophobicContact CB-CB 4.07Å; F304-L481 HydrophobicContact CB-CD1 4.19Å; F304-L481 HydrophobicContact CB-CG 4.29Å; L305-L481 HydrophobicContact CD2-CD1 3.71Å; L305-L481 HydrophobicContact CG-CD1 4.21Å; G479-L481 PolarHBondContact O-N 3.38Å; L481-N484 PolarHBondContact O-N 3.4Å; L481-R485 WeakPolarHBondContact O-CB 3.16Å; L481-R485 PolarHBondContact O-N 3.02Å
482	E	91.6	Very high	88.9	Confident	33 Å²	33	24.6 Å²	24.6	15%	0.154	14%	0.143	C	C	.	.	H	α-helix	trans	-70.8	-35.7	176.7	-179.6	63.4	-168.2	0	0	111.4	D478 G479 F480 R485 K486	D478-E482 HydrophobicContact CB-CB 4.38Å; D478-E482 HydrophobicContact CB-CG 4.21Å; G479-E482 PolarHBondContact O-N 3.09Å; G479-E482 VanDerWaalsContact O-N 3.1Å; F480-E482 VanDerWaalsContact C-N 3.34Å; F480-E482 PolarHBondContact O-N 3.43Å; E482-R485 PolarHBondContact O-N 3.11Å; E482-R485 IonicContact OE1-CZ 2.7Å; E482-R485 IonicContact OE1-NE 3.5Å; E482-R485 PolarHBondContact OE1-NE 2.75Å; E482-R485 IonicContact OE1-NH2 2.67Å; E482-R485 PolarHBondContact OE1-NH2 3.44Å; E482-R485 IonicContact OE2-NE 3.98Å; E482-R485 PolarHBondContact OE2-NE 2.81Å; E482-R485 VanDerWaalsContact OE2-NE 3.1Å; E482-K486 HydrophobicContact CG-CD 4.41Å; E482-K486 VanDerWaalsContact O-CG 3.28Å; E482-K486 WeakPolarHBondContact O-CG 3.42Å; E482-K486 PolarHBondContact O-N 2.68Å; E482-K486 WeakPolarHBondContact OE1-CE 3.23Å
483	I	90.1	Very high	88.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-47.9	171.4	-73.7	-179.7	0	0	0	110.4	V71 I74 I474 D478 G479 F480 R485 K486 L487	V71-I483 HydrophobicContact CG1-CG2 4.16Å; V71-I483 HydrophobicContact CG2-CG2 3.81Å; I74-I483 HydrophobicContact CB-CD1 4.3Å; I74-I483 HydrophobicContact CD1-CD1 3.31Å; I74-I483 HydrophobicContact CG1-CD1 4.39Å; I74-I483 HydrophobicContact CG2-CD1 4.13Å; I474-I483 HydrophobicContact CD1-CG2 4.3Å; I474-I483 HydrophobicContact CG2-CD1 4.12Å; I474-I483 HydrophobicContact CG2-CG1 4.02Å; D478-I483 HydrophobicContact CB-CD1 4.34Å; D478-I483 HydrophobicContact CB-CG1 3.78Å; G479-I483 PolarHBondContact O-N 3.26Å; F480-I483 WeakPolarHBondContact O-CB 3.13Å; F480-I483 PolarHBondContact O-N 3.48Å; I483-R485 VanDerWaalsContact C-N 3.32Å; I483-R485 PolarHBondContact O-N 2.77Å; I483-K486 PolarHBondContact O-N 2.63Å; I483-K486 VanDerWaalsContact O-N 3.1Å; I483-L487 HydrophobicContact CG2-CD1 3.79Å; I483-L487 HydrophobicContact CG2-CG 4.3Å; I483-L487 WeakPolarHBondContact O-CG 3.12Å; I483-L487 PolarHBondContact O-N 2.94Å
484	N	88	Confident	88.4	Confident	9 Å²	9	27 Å²	27	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-55.8	-48.2	176.3	179.3	58.4	0	0	0	111.7	F304 Y336 F480 L481 K486 L487 T488	F304-N484 HydrophobicContact CD1-CB 3.94Å; F304-N484 HydrophobicContact CE1-CB 3.98Å; F304-N484 VanDerWaalsContact CE1-CG 3.48Å; F304-N484 WeakPolarHBondContact CE2-ND2 3.27Å; F304-N484 HydrophobicContact CG-CB 4.3Å; F304-N484 HydrophobicContact CZ-CB 4.35Å; F304-N484 VanDerWaalsContact CZ-ND2 3.34Å; F304-N484 WeakPolarHBondContact CZ-ND2 3.38Å; F304-N484 WeakPolarHBondContact CZ-OD1 3.48Å; Y336-N484 WeakPolarHBondContact CE2-OD1 3.02Å; Y336-N484 VanDerWaalsContact OH-CA 3.22Å; Y336-N484 WeakPolarHBondContact OH-CA 3.48Å; Y336-N484 WeakPolarHBondContact OH-CB 3.32Å; Y336-N484 PolarHBondContact OH-OD1 2.96Å; F480-N484 PolarHBondContact O-N 3.03Å; L481-N484 PolarHBondContact O-N 3.4Å; N484-K486 VanDerWaalsContact C-N 3.29Å; N484-K486 PolarHBondContact O-N 3.27Å; N484-L487 PolarHBondContact O-N 3.19Å; N484-T488 VanDerWaalsContact O-CB 3.31Å; N484-T488 WeakPolarHBondContact O-CB 3.26Å; N484-T488 PolarHBondContact O-N 3.08Å; N484-T488 PolarHBondContact O-OG1 3.1Å
485	R	87.7	Confident	87.9	Confident	8 Å²	8	26.7 Å²	26.7	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-55.8	-43.2	175.5	-167.6	-160.8	65.3	65.6	1.8	112.2	L92 G471 L481 E482 I483 S489	L92-R485 HydrophobicContact CD1-CB 4.4Å; L92-R485 HydrophobicContact CD1-CG 4.12Å; G471-R485 PolarHBondContact O-NH2 3.43Å; L481-R485 WeakPolarHBondContact O-CB 3.16Å; L481-R485 PolarHBondContact O-N 3.02Å; E482-R485 PolarHBondContact O-N 3.11Å; E482-R485 IonicContact OE1-CZ 2.7Å; E482-R485 IonicContact OE1-NE 3.5Å; E482-R485 PolarHBondContact OE1-NE 2.75Å; E482-R485 IonicContact OE1-NH2 2.67Å; E482-R485 PolarHBondContact OE1-NH2 3.44Å; E482-R485 IonicContact OE2-NE 3.98Å; E482-R485 PolarHBondContact OE2-NE 2.81Å; E482-R485 VanDerWaalsContact OE2-NE 3.1Å; I483-R485 VanDerWaalsContact C-N 3.32Å; I483-R485 PolarHBondContact O-N 2.77Å; R485-S489 WeakPolarHBondContact O-CB 3.46Å; R485-S489 PolarHBondContact O-N 2.83Å
486	K	90	Very high	87.7	Confident	10 Å²	10	22.5 Å²	22.5	4%	0.043	14%	0.14	C	C	.	.	H	α-helix	trans	-71.1	-42.1	-178.8	-74.4	177.2	177.3	-177.4	0	112.7	V473 I474 D478 E482 I483 N484 W490	V473-K486 VanDerWaalsContact O-CD 3.29Å; V473-K486 WeakPolarHBondContact O-CD 3.45Å; V473-K486 VanDerWaalsContact O-CE 3.3Å; V473-K486 WeakPolarHBondContact O-CE 3.42Å; V473-K486 PolarHBondContact O-NZ 3.08Å; I474-K486 HydrophobicContact CG1-CB 4.05Å; I474-K486 HydrophobicContact CG1-CD 3.98Å; D478-K486 VanDerWaalsContact CG-NZ 3.26Å; D478-K486 IonicContact OD1-NZ 2.67Å; D478-K486 PolarHBondContact OD1-NZ 3.34Å; D478-K486 IonicContact OD2-NZ 2.76Å; D478-K486 PolarHBondContact OD2-NZ 3.16Å; E482-K486 HydrophobicContact CG-CD 4.41Å; E482-K486 VanDerWaalsContact O-CG 3.28Å; E482-K486 WeakPolarHBondContact O-CG 3.42Å; E482-K486 PolarHBondContact O-N 2.68Å; E482-K486 WeakPolarHBondContact OE1-CE 3.23Å; I483-K486 PolarHBondContact O-N 2.63Å; I483-K486 VanDerWaalsContact O-N 3.1Å; N484-K486 VanDerWaalsContact C-N 3.29Å; N484-K486 PolarHBondContact O-N 3.27Å; K486-W490 WeakPolarHBondContact O-CB 3.4Å; K486-W490 PolarHBondContact O-N 2.02Å
487	L	87.1	Confident	87.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-47.5	175.7	-72.5	173.6	0	0	0	110.9	V71 Y336 I383 L462 I474 I483 N484 W490 S491	V71-L487 HydrophobicContact CG1-CD1 4.36Å; V71-L487 HydrophobicContact CG2-CD1 4.41Å; Y336-L487 HydrophobicContact CE1-CD1 4.45Å; Y336-L487 WeakPolarHBondContact OH-CD1 3.42Å; I383-L487 HydrophobicContact CG2-CD2 3.75Å; L462-L487 HydrophobicContact CD1-CD2 3.66Å; L462-L487 HydrophobicContact CD2-CD2 4.17Å; I474-L487 HydrophobicContact CD1-CD2 3.77Å; I474-L487 HydrophobicContact CD1-CG 3.93Å; I483-L487 HydrophobicContact CG2-CD1 3.79Å; I483-L487 HydrophobicContact CG2-CG 4.3Å; I483-L487 WeakPolarHBondContact O-CG 3.12Å; I483-L487 PolarHBondContact O-N 2.94Å; N484-L487 PolarHBondContact O-N 3.19Å; L487-W490 PolarHBondContact O-N 3.05Å; L487-S491 PolarHBondContact O-N 3.15Å
488	T	84.2	Confident	87.5	Confident	4 Å²	4	17.3 Å²	17.3	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-61.6	-51	177.5	-54.2	0	0	0	0	110.7	H130 N484 W490 S491 F492	H130-T488 WeakPolarHBondContact O-CG2 3.39Å; N484-T488 VanDerWaalsContact O-CB 3.31Å; N484-T488 WeakPolarHBondContact O-CB 3.26Å; N484-T488 PolarHBondContact O-N 3.08Å; N484-T488 PolarHBondContact O-OG1 3.1Å; T488-W490 VanDerWaalsContact C-N 3.28Å; T488-W490 PolarHBondContact O-N 3Å; T488-S491 PolarHBondContact O-N 2.84Å; T488-S491 VanDerWaalsContact O-N 3.09Å; T488-F492 HydrophobicContact CG2-CD2 3.64Å; T488-F492 HydrophobicContact CG2-CE2 3.73Å; T488-F492 WeakPolarHBondContact O-CD2 3.32Å; T488-F492 PolarHBondContact O-N 3.48Å
489	S	86.5	Confident	87.4	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-55.7	-42.9	176.5	-179.7	0	0	0	0	112.1	L128 D129 R485 H493	L128-S489 WeakPolarHBondContact O-CA 3.38Å; D129-S489 PolarHBondContact OD1-OG 2.65Å; R485-S489 WeakPolarHBondContact O-CB 3.46Å; R485-S489 PolarHBondContact O-N 2.83Å; S489-H493 VanDerWaalsContact O-CB 3.29Å; S489-H493 WeakPolarHBondContact O-CB 3.49Å; S489-H493 PolarHBondContact O-N 3Å; S489-H493 PolarHBondContact O-ND1 3.39Å; S489-H493 PolarHBondContact OG-ND1 2.77Å
490	W	87.8	Confident	87.3	Confident	9 Å²	9	20 Å²	20	3%	0.034	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-46.3	175.6	167.7	75.4	0	0	0	112.9	L381 T382 Y458 Y459 L462 T472 K486 L487 T488 A494	L381-W490 VanDerWaalsContact O-CZ3 3.28Å; L381-W490 WeakPolarHBondContact O-CZ3 3.39Å; T382-W490 VanDerWaalsContact O-CZ3 3.26Å; T382-W490 WeakPolarHBondContact O-CZ3 3.41Å; Y458-W490 HydrophobicContact CD1-CH2 4.49Å; Y458-W490 HydrophobicContact CD1-CZ2 4.47Å; Y458-W490 AromaticContact CE1-CH2 3.71Å; Y458-W490 HydrophobicContact CE1-CH2 3.71Å; Y458-W490 HydrophobicContact CE1-CZ2 4.02Å; Y459-W490 AromaticContact CD1-CH2 3.71Å; Y459-W490 HydrophobicContact CD1-CH2 3.71Å; Y459-W490 AromaticContact CD1-CZ2 3.81Å; Y459-W490 HydrophobicContact CD1-CZ2 3.81Å; Y459-W490 HydrophobicContact CD1-CZ3 4.37Å; Y459-W490 AromaticContact CE1-CH2 3.52Å; Y459-W490 HydrophobicContact CE1-CH2 3.52Å; Y459-W490 HydrophobicContact CE1-CZ2 4.1Å; Y459-W490 HydrophobicContact CE1-CZ3 4.08Å; L462-W490 HydrophobicContact CD1-CD2 3.85Å; L462-W490 HydrophobicContact CD1-CE3 3.94Å; L462-W490 HydrophobicContact CD1-CG 4.22Å; L462-W490 HydrophobicContact CD1-CZ3 4.37Å; L462-W490 HydrophobicContact CD2-CB 3.49Å; L462-W490 VanDerWaalsContact CD2-CB 3.49Å; L462-W490 HydrophobicContact CD2-CD2 4.15Å; L462-W490 HydrophobicContact CD2-CG 3.64Å; L462-W490 HydrophobicContact CG-CB 4.23Å; L462-W490 HydrophobicContact CG-CD2 3.96Å; L462-W490 HydrophobicContact CG-CG 3.8Å; T472-W490 HydrophobicContact CG2-CB 4.02Å; K486-W490 WeakPolarHBondContact O-CB 3.4Å; K486-W490 PolarHBondContact O-N 2.02Å; L487-W490 PolarHBondContact O-N 3.05Å; T488-W490 VanDerWaalsContact C-N 3.28Å; T488-W490 PolarHBondContact O-N 3Å; W490-A494 WeakPolarHBondContact O-CB 3.34Å; W490-A494 PolarHBondContact O-N 3.36Å
491	S	84	Confident	87.2	Confident	3 Å²	3	24.8 Å²	24.8	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-60.2	-54.4	-179.9	-169.6	0	0	0	0	110.9	L487 T488 H493 A494 D495	L487-S491 PolarHBondContact O-N 3.15Å; T488-S491 PolarHBondContact O-N 2.84Å; T488-S491 VanDerWaalsContact O-N 3.09Å; S491-H493 VanDerWaalsContact C-N 3.33Å; S491-H493 PolarHBondContact O-N 3.49Å; S491-A494 CarbonylContact O-C 3.59Å; S491-A494 WeakPolarHBondContact O-CA 3.46Å; S491-A494 VanDerWaalsContact O-CB 3.25Å; S491-A494 WeakPolarHBondContact O-CB 3Å; S491-A494 PolarHBondContact O-N 3.12Å; S491-D495 PolarHBondContact O-N 2.81Å
492	F	84.2	Confident	87.1	Confident	7 Å²	7	29.3 Å²	29.3	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-66.3	-33.1	-177.5	-80.2	-95	0	0	0	112.8	W127 H378 I380 T488 D495 A496	W127-F492 AromaticContact CD2-CD1 3.65Å; W127-F492 HydrophobicContact CD2-CD1 3.65Å; W127-F492 HydrophobicContact CD2-CE1 4.14Å; W127-F492 AromaticContact CE2-CD1 3.36Å; W127-F492 AromaticContact CE2-CE1 3.56Å; W127-F492 HydrophobicContact CE3-CB 4.46Å; W127-F492 AromaticContact CE3-CD1 3.95Å; W127-F492 HydrophobicContact CE3-CD1 3.95Å; W127-F492 HydrophobicContact CG-CD1 4.28Å; W127-F492 HydrophobicContact CG-CE1 4.45Å; W127-F492 HydrophobicContact CH2-CB 4.48Å; W127-F492 AromaticContact CH2-CD1 3.74Å; W127-F492 HydrophobicContact CH2-CD1 3.74Å; W127-F492 AromaticContact CZ2-CD1 3.44Å; W127-F492 HydrophobicContact CZ2-CD1 3.44Å; W127-F492 VanDerWaalsContact CZ2-CD1 3.44Å; W127-F492 AromaticContact CZ2-CE1 3.82Å; W127-F492 HydrophobicContact CZ2-CE1 3.82Å; W127-F492 HydrophobicContact CZ3-CB 4.22Å; W127-F492 AromaticContact CZ3-CD1 3.98Å; W127-F492 HydrophobicContact CZ3-CD1 3.98Å; W127-F492 AromaticContact NE1-CD1 3.82Å; W127-F492 AromaticContact NE1-CE1 3.53Å; H378-F492 AromaticContact CD2-CD1 3.96Å; H378-F492 AromaticContact CD2-CE1 3.42Å; H378-F492 VanDerWaalsContact CD2-CE1 3.42Å; H378-F492 WeakPolarHBondContact CD2-CE1 3.46Å; H378-F492 AromaticContact CD2-CZ 3.77Å; I380-F492 HydrophobicContact CG1-CE2 4.32Å; T488-F492 HydrophobicContact CG2-CD2 3.64Å; T488-F492 HydrophobicContact CG2-CE2 3.73Å; T488-F492 WeakPolarHBondContact O-CD2 3.32Å; T488-F492 PolarHBondContact O-N 3.48Å; F492-D495 PolarHBondContact O-N 3.32Å; F492-A496 WeakPolarHBondContact O-CB 3Å; F492-A496 PolarHBondContact O-N 3.22Å
493	H	85.9	Confident	86.9	Confident	35 Å²	35	28.4 Å²	28.4	16%	0.162	15%	0.153	C	C	.	.	H	α-helix	trans	-73.1	-28.5	170.2	-74.8	84.5	0	0	0	112.8	L128 D129 C470 S489 S491 A496 R497	L128-H493 PolarHBondContact O-CE1 3.28Å; L128-H493 VanDerWaalsContact O-CE1 3.23Å; L128-H493 PolarHBondContact O-ND1 3.28Å; D129-H493 IonicContact OD1-CE1 2.78Å; D129-H493 PolarHBondContact OD1-CE1 2.97Å; C470-H493 PolarHBondContact SG-CD2 3.18Å; S489-H493 VanDerWaalsContact O-CB 3.29Å; S489-H493 WeakPolarHBondContact O-CB 3.49Å; S489-H493 PolarHBondContact O-N 3Å; S489-H493 PolarHBondContact O-ND1 3.39Å; S489-H493 PolarHBondContact OG-ND1 2.77Å; S491-H493 VanDerWaalsContact C-N 3.33Å; S491-H493 PolarHBondContact O-N 3.49Å; H493-A496 PolarHBondContact O-N 3.07Å; H493-R497 WeakPolarHBondContact O-CG 3.12Å; H493-R497 PolarHBondContact O-N 3.01Å; H493-R497 PolarHBondContact O-NH1 2.98Å; H493-R497 VanDerWaalsContact O-NH1 3.15Å
494	A	82.8	Confident	86.7	Confident	24 Å²	24	32 Å²	32	20%	0.198	17%	0.172	C	C	.	.	H	α-helix	trans	-65.6	-43.3	171.1	0	0	0	0	0	110.6	W490 S491 A496 R497 K498	W490-A494 WeakPolarHBondContact O-CB 3.34Å; W490-A494 PolarHBondContact O-N 3.36Å; S491-A494 CarbonylContact O-C 3.59Å; S491-A494 WeakPolarHBondContact O-CA 3.46Å; S491-A494 VanDerWaalsContact O-CB 3.25Å; S491-A494 WeakPolarHBondContact O-CB 3Å; S491-A494 PolarHBondContact O-N 3.12Å; A494-A496 PolarHBondContact O-N 2.94Å; A494-R497 VanDerWaalsContact CA-NH2 3.26Å; A494-R497 VanDerWaalsContact CB-NH2 3.33Å; A494-R497 PolarHBondContact O-N 3.24Å; A494-K498 PolarHBondContact O-N 2.99Å
495	D	81	Confident	86.5	Confident	8 Å²	8	34.2 Å²	34.2	4%	0.043	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-43.1	172.6	-65	-41.2	0	0	0	111.6	I140 H378 S491 F492 R497 K498	I140-D495 HydrophobicContact CB-CB 4.46Å; I140-D495 WeakPolarHBondContact CG2-O 3.22Å; H378-D495 IonicContact CD2-OD2 3.98Å; H378-D495 IonicContact CE1-OD2 3.82Å; H378-D495 IonicContact NE2-OD2 3.92Å; H378-D495 PolarHBondContact NE2-OD2 3.2Å; S491-D495 PolarHBondContact O-N 2.81Å; F492-D495 PolarHBondContact O-N 3.32Å; D495-R497 VanDerWaalsContact C-N 3.28Å; D495-R497 PolarHBondContact O-N 3.43Å; D495-K498 VanDerWaalsContact O-CB 3.24Å; D495-K498 WeakPolarHBondContact O-CB 3.4Å; D495-K498 PolarHBondContact O-N 3.43Å; D495-K498 VanDerWaalsContact OD1-CE 3.24Å; D495-K498 WeakPolarHBondContact OD1-CE 3.33Å; D495-K498 IonicContact OD1-NZ 3.91Å; D495-K498 PolarHBondContact OD1-NZ 3.21Å
496	A	86.1	Confident	86.3	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-55.6	-40.5	173	0	0	0	0	0	113.1	L128 I140 F260 P261 F492 H493 A494 K498 L499	L128-A496 HydrophobicContact CD2-CB 4.01Å; I140-A496 HydrophobicContact CD1-CB 4.17Å; F260-A496 HydrophobicContact CD1-CB 4.33Å; P261-A496 WeakPolarHBondContact CG-O 3.46Å; F492-A496 WeakPolarHBondContact O-CB 3Å; F492-A496 PolarHBondContact O-N 3.22Å; H493-A496 PolarHBondContact O-N 3.07Å; A494-A496 PolarHBondContact O-N 2.94Å; A496-K498 VanDerWaalsContact C-N 3.29Å; A496-K498 PolarHBondContact O-N 2.88Å; A496-L499 WeakPolarHBondContact O-CB 3.24Å; A496-L499 WeakPolarHBondContact O-CD1 3.39Å; A496-L499 WeakPolarHBondContact O-CG 3.38Å; A496-L499 PolarHBondContact O-N 3.14Å
497	R	86.6	Confident	85.9	Confident	87 Å²	87	38.6 Å²	38.6	33%	0.328	21%	0.21	S	C	.	.	H	α-helix	trans	-66.5	-28.7	177.8	-73.4	-174.5	-59.6	-87.3	6.6	113	H493 A494 D495 L499 V500	H493-R497 WeakPolarHBondContact O-CG 3.12Å; H493-R497 PolarHBondContact O-N 3.01Å; H493-R497 PolarHBondContact O-NH1 2.98Å; H493-R497 VanDerWaalsContact O-NH1 3.15Å; A494-R497 VanDerWaalsContact CA-NH2 3.26Å; A494-R497 VanDerWaalsContact CB-NH2 3.33Å; A494-R497 PolarHBondContact O-N 3.24Å; D495-R497 VanDerWaalsContact C-N 3.28Å; D495-R497 PolarHBondContact O-N 3.43Å; R497-L499 PolarHBondContact O-N 3.38Å; R497-V500 VanDerWaalsContact O-CG2 3.27Å; R497-V500 WeakPolarHBondContact O-CG2 3.22Å; R497-V500 PolarHBondContact O-N 3.12Å; R497-V500 VanDerWaalsContact O-N 3.08Å
498	K	86.7	Confident	85.6	Confident	45 Å²	45	38.8 Å²	38.8	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-55.7	-27.7	176.5	-64.8	176.4	179.8	166	0	112.3	Y150 A494 D495 A496 V500 E501	Y150-K498 HydrophobicContact CD1-CB 4.08Å; Y150-K498 HydrophobicContact CD1-CD 4.3Å; Y150-K498 HydrophobicContact CD2-CB 3.63Å; Y150-K498 WeakPolarHBondContact CD2-O 3.44Å; Y150-K498 HydrophobicContact CE1-CB 4.3Å; Y150-K498 HydrophobicContact CE1-CD 3.86Å; Y150-K498 HydrophobicContact CE2-CB 3.81Å; Y150-K498 HydrophobicContact CE2-CD 4.35Å; Y150-K498 HydrophobicContact CE2-CG 4.28Å; Y150-K498 HydrophobicContact CG-CB 3.76Å; A494-K498 PolarHBondContact O-N 2.99Å; D495-K498 VanDerWaalsContact O-CB 3.24Å; D495-K498 WeakPolarHBondContact O-CB 3.4Å; D495-K498 PolarHBondContact O-N 3.43Å; D495-K498 VanDerWaalsContact OD1-CE 3.24Å; D495-K498 WeakPolarHBondContact OD1-CE 3.33Å; D495-K498 IonicContact OD1-NZ 3.91Å; D495-K498 PolarHBondContact OD1-NZ 3.21Å; A496-K498 VanDerWaalsContact C-N 3.29Å; A496-K498 PolarHBondContact O-N 2.88Å; K498-V500 PolarHBondContact O-N 3.46Å; K498-V500 VanDerWaalsContact O-N 3.08Å; K498-E501 PolarHBondContact O-N 3.42Å
499	L	90.1	Very high	85.1	Confident	21 Å²	21	41.2 Å²	41.2	11%	0.11	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.3	177.6	-65.7	171.4	0	0	0	114.7	I140 I152 F260 V263 A496 R497	I140-L499 HydrophobicContact CD1-CD1 3.72Å; I140-L499 HydrophobicContact CD1-CD2 4.36Å; I140-L499 HydrophobicContact CD1-CG 3.94Å; I140-L499 HydrophobicContact CG1-CD1 4.41Å; I140-L499 HydrophobicContact CG1-CD2 4.31Å; I140-L499 HydrophobicContact CG1-CG 4.42Å; I140-L499 HydrophobicContact CG2-CD2 3.72Å; I140-L499 HydrophobicContact CG2-CG 4.02Å; I152-L499 HydrophobicContact CD1-CD1 3.8Å; I152-L499 HydrophobicContact CG1-CD1 3.73Å; I152-L499 HydrophobicContact CG1-CD2 3.8Å; I152-L499 HydrophobicContact CG1-CG 4.41Å; F260-L499 HydrophobicContact CB-CD1 4.4Å; F260-L499 HydrophobicContact CD1-CD1 4.38Å; V263-L499 HydrophobicContact CG1-CB 4.1Å; V263-L499 HydrophobicContact CG1-CD1 3.83Å; V263-L499 HydrophobicContact CG1-CD2 3.99Å; V263-L499 HydrophobicContact CG1-CG 4.19Å; A496-L499 WeakPolarHBondContact O-CB 3.24Å; A496-L499 WeakPolarHBondContact O-CD1 3.39Å; A496-L499 WeakPolarHBondContact O-CG 3.38Å; A496-L499 PolarHBondContact O-N 3.14Å; R497-L499 PolarHBondContact O-N 3.38Å
500	V	91.4	Very high	84.6	Confident	100 Å²	100	41.2 Å²	41.2	61%	0.606	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.4	5.9	178.4	-63.3	0	0	0	0	113.1	P261 R497 K498	P261-V500 HydrophobicContact CB-CG1 3.77Å; R497-V500 VanDerWaalsContact O-CG2 3.27Å; R497-V500 WeakPolarHBondContact O-CG2 3.22Å; R497-V500 PolarHBondContact O-N 3.12Å; R497-V500 VanDerWaalsContact O-N 3.08Å; K498-V500 PolarHBondContact O-N 3.46Å; K498-V500 VanDerWaalsContact O-N 3.08Å
501	E	89.2	Confident	84.6	Confident	110 Å²	110	40.8 Å²	40.8	51%	0.514	22%	0.221	S	C	.	.	S	Bend	trans	-110.6	168.8	-179.9	-65.8	177.5	-177	0	0	110.9	K498	K498-E501 PolarHBondContact O-N 3.42Å
502	S	89	Confident	84.9	Confident	99 Å²	99	40.7 Å²	40.7	69%	0.692	22%	0.22	S	C	*	.			trans	-94.7	142.7	170.4	-60.1	0	0	0	0	109.4	D504	S502-D504 PolarHBondContact O-N 2.97Å
503	P	86.4	Confident	85.3	Confident	14 Å²	14	40.4 Å²	40.4	9%	0.091	22%	0.219	C	C	.	.			trans	-53.4	130.1	176.1	-25	32.3	0	0	0	112.9	Q142 S147 S148 Y150 F505	Q142-P503 HydrophobicContact CG-CB 4.49Å; Q142-P503 HydrophobicContact CG-CG 4.12Å; S147-P503 WeakPolarHBondContact O-CG 3.47Å; S148-P503 WeakPolarHBondContact O-CD 3.36Å; Y150-P503 HydrophobicContact CD2-CG 4.11Å; Y150-P503 HydrophobicContact CE2-CB 3.89Å; Y150-P503 HydrophobicContact CE2-CG 3.59Å; P503-F505 HydrophobicContact CB-CE1 4.31Å; P503-F505 HydrophobicContact CB-CE2 4.38Å; P503-F505 HydrophobicContact CB-CZ 4.03Å
504	D	85.8	Confident	85.4	Confident	75 Å²	75	39.6 Å²	39.6	40%	0.401	22%	0.216	S	C	.	.			trans	-96.4	106.7	170.3	-171.9	-11.7	0	0	0	109.5	S502 S506 L507	S502-D504 PolarHBondContact O-N 2.97Å; D504-S506 PolarHBondContact O-N 3.46Å; D504-S506 VanDerWaalsContact OD1-CB 3.3Å; D504-S506 WeakPolarHBondContact OD1-CB 3.19Å; D504-S506 PolarHBondContact OD1-N 2.81Å; D504-S506 PolarHBondContact OD1-OG 3.41Å; D504-S506 PolarHBondContact OD2-OG 3.04Å; D504-L507 HydrophobicContact CB-CD1 4.12Å; D504-L507 HydrophobicContact CB-CG 4.22Å
505	F	83.4	Confident	85.7	Confident	55 Å²	55	39.1 Å²	39.1	24%	0.241	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.7	-179.4	-56.1	-78.7	0	0	0	113.5	P503 L507 K523 Y527	P503-F505 HydrophobicContact CB-CE1 4.31Å; P503-F505 HydrophobicContact CB-CE2 4.38Å; P503-F505 HydrophobicContact CB-CZ 4.03Å; F505-L507 VanDerWaalsContact C-N 3.34Å; F505-K523 HydrophobicContact CD1-CB 3.73Å; F505-K523 HydrophobicContact CD1-CD 3.91Å; F505-K523 HydrophobicContact CD1-CG 3.66Å; F505-K523 HydrophobicContact CE1-CB 4.01Å; F505-K523 HydrophobicContact CE1-CD 4.48Å; F505-K523 HydrophobicContact CE1-CG 3.82Å; F505-Y527 PolarHBondContact O-OH 2.74Å
506	S	84.7	Confident	86	Confident	63 Å²	63	41.9 Å²	41.9	44%	0.441	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.5	-179.8	74.4	0	0	0	0	113.4	P448 D504	P448-S506 VanDerWaalsContact CB-O 3.27Å; P448-S506 WeakPolarHBondContact CB-O 3.26Å; D504-S506 PolarHBondContact O-N 3.46Å; D504-S506 VanDerWaalsContact OD1-CB 3.3Å; D504-S506 WeakPolarHBondContact OD1-CB 3.19Å; D504-S506 PolarHBondContact OD1-N 2.81Å; D504-S506 PolarHBondContact OD1-OG 3.41Å; D504-S506 PolarHBondContact OD2-OG 3.04Å
507	L	81.8	Confident	86.1	Confident	47 Å²	47	42 Å²	42	25%	0.246	23%	0.226	C	C	.	.	S	Bend	trans	-82	136.9	175.3	-62.6	179.7	0	0	0	110.8	L450 D504 F505 Y527	L450-L507 HydrophobicContact CD1-CD2 4.1Å; L450-L507 HydrophobicContact CD2-CD2 3.2Å; L450-L507 HydrophobicContact CG-CD2 4.26Å; D504-L507 HydrophobicContact CB-CD1 4.12Å; D504-L507 HydrophobicContact CB-CG 4.22Å; F505-L507 VanDerWaalsContact C-N 3.34Å; L507-Y527 VanDerWaalsContact O-CE1 3.26Å; L507-Y527 WeakPolarHBondContact O-CE1 3.46Å
508	M	79.8	Confident	86.2	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.02	22%	0.216	C	C	.	.			trans	-86	137.7	166.8	-48.2	-171.9	68.9	0	0	108	M385 V444 P448 G510 P512 W518 Y527 P529	M385-M508 HydrophobicContact CE-CB 4.36Å; M385-M508 WeakPolarHBondContact CE-O 3.27Å; V444-M508 HydrophobicContact CB-CG 4.13Å; V444-M508 HydrophobicContact CB-SD 4.46Å; V444-M508 HydrophobicContact CG1-CE 4.44Å; V444-M508 HydrophobicContact CG1-CG 3.62Å; V444-M508 HydrophobicContact CG1-SD 3.71Å; P448-M508 HydrophobicContact CB-CG 4.5Å; P448-M508 HydrophobicContact CG-CG 4.35Å; M508-G510 PolarHBondContact O-N 3.15Å; M508-P512 HydrophobicContact SD-CG 4.22Å; M508-W518 HydrophobicContact CB-CZ2 4.1Å; M508-W518 HydrophobicContact CE-CH2 4.1Å; M508-W518 HydrophobicContact CE-CZ2 4.14Å; M508-Y527 HydrophobicContact CB-CD1 4.14Å; M508-Y527 HydrophobicContact CE-CD1 4.3Å; M508-Y527 HydrophobicContact CG-CD1 3.95Å; M508-P529 HydrophobicContact CE-CB 4.32Å; M508-P529 HydrophobicContact CE-CG 3.81Å
509	E	74	Confident	86.3	Confident	55 Å²	55	38.1 Å²	38.1	26%	0.257	21%	0.21	S	C	.	.	S	Bend	trans	-81.7	52.2	176.8	-62.9	-163.6	175.2	0	0	111.9	T379 M520 K523	T379-E509 PolarHBondContact OG1-O 3Å; E509-M520 HydrophobicContact CB-SD 4.47Å; E509-M520 HydrophobicContact CG-CE 4.11Å; E509-M520 HydrophobicContact CG-SD 3.9Å; E509-M520 WeakPolarHBondContact OE1-CE 3.23Å; E509-M520 WeakPolarHBondContact OE2-CE 3.46Å; E509-K523 WeakPolarHBondContact OE1-CE 3.39Å; E509-K523 IonicContact OE1-NZ 3Å; E509-K523 PolarHBondContact OE1-NZ 2.91Å
510	G	76.9	Confident	86.1	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.01	21%	0.211	C	C	.	.	S	Bend	trans	154.2	-172.8	170.9	0	0	0	0	0	113.2	M385 M508	M385-G510 WeakPolarHBondContact CE-O 3.36Å; M508-G510 PolarHBondContact O-N 3.15Å
511	S	86.3	Confident	85.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.			trans	-69.9	134.2	-169.2	-173.7	0	0	0	0	112.7	G384 A513 I514	G384-S511 WeakPolarHBondContact O-CB 3.43Å; G384-S511 PolarHBondContact O-OG 2.98Å; S511-A513 PolarHBondContact O-N 3.08Å; S511-A513 PolarHBondContact OG-N 3.49Å; S511-I514 WeakPolarHBondContact O-CB 3.25Å; S511-I514 PolarHBondContact O-N 3.48Å; S511-I514 VanDerWaalsContact O-N 3.16Å
512	P	91.2	Very high	85.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11	167.8	-31.8	42.3	0	0	0	115.4	M385 I392 M451 M508 P529 A530 G531	M385-P512 HydrophobicContact SD-CG 4.11Å; I392-P512 HydrophobicContact CD1-CB 4.24Å; M451-P512 HydrophobicContact CE-CB 4.24Å; M451-P512 HydrophobicContact CE-CG 3.91Å; M451-P512 HydrophobicContact SD-CB 4.46Å; M451-P512 HydrophobicContact SD-CG 3.65Å; M508-P512 HydrophobicContact SD-CG 4.22Å; P512-P529 WeakPolarHBondContact O-CB 3.31Å; P512-A530 WeakPolarHBondContact O-CA 2.97Å; P512-A530 WeakPolarHBondContact O-CB 3Å; P512-A530 PolarHBondContact O-N 3.11Å; P512-G531 PolarHBondContact O-N 2.85Å
513	A	92	Very high	85.7	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.008	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.2	176.7	0	0	0	0	0	114.1	L48 M338 F391 S511 G531	L48-A513 HydrophobicContact CD1-CB 4.17Å; M338-A513 HydrophobicContact SD-CB 4.39Å; F391-A513 HydrophobicContact CB-CB 3.8Å; F391-A513 HydrophobicContact CD1-CB 4.23Å; F391-A513 HydrophobicContact CD2-CB 4.42Å; F391-A513 HydrophobicContact CG-CB 3.87Å; S511-A513 PolarHBondContact O-N 3.08Å; S511-A513 PolarHBondContact OG-N 3.49Å; A513-G531 WeakPolarHBondContact O-CA 3.37Å
514	I	87.5	Confident	86	Confident	18 Å²	18	25.5 Å²	25.5	9%	0.092	14%	0.135	C	C	.	.			trans	-68.3	142.9	-176.3	-78	165.7	0	0	0	111.8	M338 I341 S511 N516 P529 G531 I532	M338-I514 HydrophobicContact CE-CG1 4.12Å; M338-I514 HydrophobicContact CG-CD1 4.09Å; M338-I514 HydrophobicContact CG-CG1 3.81Å; M338-I514 HydrophobicContact SD-CG1 3.65Å; I341-I514 HydrophobicContact CB-CD1 4.09Å; I341-I514 HydrophobicContact CD1-CB 4.49Å; I341-I514 HydrophobicContact CD1-CD1 3.27Å; I341-I514 HydrophobicContact CD1-CG1 4.43Å; I341-I514 HydrophobicContact CD1-CG2 4.41Å; I341-I514 HydrophobicContact CG1-CD1 3.43Å; I341-I514 VanDerWaalsContact CG1-CD1 3.43Å; S511-I514 WeakPolarHBondContact O-CB 3.25Å; S511-I514 PolarHBondContact O-N 3.48Å; S511-I514 VanDerWaalsContact O-N 3.16Å; I514-N516 VanDerWaalsContact C-N 3.26Å; I514-N516 HydrophobicContact CG2-CB 3.69Å; I514-N516 PolarHBondContact O-N 3.23Å; I514-P529 WeakPolarHBondContact O-CB 3.45Å; I514-G531 CarbonylContact O-C 3.56Å; I514-G531 WeakPolarHBondContact O-CA 3.38Å; I514-I532 PolarHBondContact O-N 3Å
515	T	89.8	Confident	86.2	Confident	14 Å²	14	21.9 Å²	21.9	9%	0.086	12%	0.116	C	C	.	.	S	Bend	trans	-91.4	54.5	177.6	-51.1	0	0	0	0	110.7	L40 E41 N44 I532	L40-T515 HydrophobicContact CB-CG2 3.89Å; L40-T515 HydrophobicContact CD2-CG2 3.62Å; L40-T515 HydrophobicContact CG-CG2 3.67Å; E41-T515 WeakPolarHBondContact CA-OG1 3.5Å; N44-T515 PolarHBondContact ND2-OG1 2.68Å; T515-I532 HydrophobicContact CG2-CG1 4.47Å
516	N	87	Confident	86.6	Confident	67 Å²	67	19.3 Å²	19.3	36%	0.358	10%	0.104	S	C	.	.			trans	-144	176	176.6	-151.2	-5.5	0	0	0	110.4	I514 P529 I532	I514-N516 VanDerWaalsContact C-N 3.26Å; I514-N516 HydrophobicContact CG2-CB 3.69Å; I514-N516 PolarHBondContact O-N 3.23Å; N516-P529 WeakPolarHBondContact O-CD 3.43Å; N516-P529 WeakPolarHBondContact O-CG 3.27Å; N516-I532 WeakPolarHBondContact O-CG2 3.28Å
517	A	89.2	Confident	86.9	Confident	6 Å²	6	16.3 Å²	16.3	5%	0.05	8%	0.083	C	C	.	.			trans	-137.9	160	165.7	0	0	0	0	0	108	Y527 I554 E558	A517-Y527 WeakPolarHBondContact CA-O 3.45Å; A517-I554 HydrophobicContact CB-CG2 3.74Å; A517-E558 HydrophobicContact CB-CG 3.96Å
518	W	88	Confident	87.4	Confident	32 Å²	32	14.1 Å²	14.1	12%	0.121	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	156.9	179.2	58.9	96.9	0	0	0	112.7	I341 M508 M526 Y527 P529 E558	I341-W518 HydrophobicContact CD1-CE3 4.32Å; I341-W518 HydrophobicContact CD1-CH2 3.29Å; I341-W518 HydrophobicContact CD1-CZ2 3.92Å; I341-W518 HydrophobicContact CD1-CZ3 3.51Å; I341-W518 HydrophobicContact CG2-CE3 4.42Å; M508-W518 HydrophobicContact CB-CZ2 4.1Å; M508-W518 HydrophobicContact CE-CH2 4.1Å; M508-W518 HydrophobicContact CE-CZ2 4.14Å; W518-M526 WeakPolarHBondContact O-CA 3.24Å; W518-Y527 AromaticContact CD1-CD2 3.69Å; W518-Y527 AromaticContact CE2-CG 3.93Å; W518-Y527 HydrophobicContact CZ2-CG 4.37Å; W518-Y527 PolarHBondContact N-O 3.35Å; W518-Y527 VanDerWaalsContact N-O 3.14Å; W518-Y527 AromaticContact NE1-CD2 3.49Å; W518-Y527 AromaticContact NE1-CG 3.46Å; W518-Y527 PolarHBondContact O-N 3.33Å; W518-P529 HydrophobicContact CE3-CG 4.26Å; W518-P529 HydrophobicContact CH2-CG 3.49Å; W518-P529 VanDerWaalsContact CH2-CG 3.49Å; W518-P529 HydrophobicContact CZ3-CG 3.28Å; W518-E558 WeakPolarHBondContact CA-OE2 3.39Å
519	Y	88.7	Confident	88.1	Confident	18 Å²	18	13.9 Å²	13.9	7%	0.071	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134	171.1	-178.1	-96.5	0	0	0	110.8	M441 Y521 N524 M526 E558 H561 A562	M441-Y519 HydrophobicContact CE-CE2 4.03Å; M441-Y519 HydrophobicContact CG-CE2 4.32Å; M441-Y519 HydrophobicContact SD-CE2 4.16Å; Y519-Y521 AromaticContact CD1-CD1 3.87Å; Y519-Y521 HydrophobicContact CD1-CD1 3.87Å; Y519-Y521 HydrophobicContact CD1-CE1 4.03Å; Y519-Y521 HydrophobicContact CD1-CG 4.18Å; Y519-Y521 AromaticContact CE1-CD1 3.57Å; Y519-Y521 HydrophobicContact CE1-CD1 3.57Å; Y519-Y521 HydrophobicContact CE1-CE1 4.07Å; Y519-Y521 HydrophobicContact CE1-CG 4.03Å; Y519-N524 WeakPolarHBondContact OH-CA 3.43Å; Y519-N524 PolarHBondContact OH-OD1 3.19Å; Y519-M526 HydrophobicContact CD2-CB 4.49Å; Y519-E558 VanDerWaalsContact CD2-O 3.25Å; Y519-E558 WeakPolarHBondContact CD2-O 3.37Å; Y519-E558 PolarHBondContact N-OE2 3.29Å; Y519-H561 HydrophobicContact CD1-CB 3.69Å; Y519-H561 HydrophobicContact CE1-CB 4.45Å; Y519-H561 HydrophobicContact CG-CB 3.81Å; Y519-A562 HydrophobicContact CE1-CB 4.3Å; Y519-A562 HydrophobicContact CE2-CB 3.87Å; Y519-A562 WeakPolarHBondContact OH-CA 3.43Å; Y519-A562 VanDerWaalsContact OH-CB 3.24Å; Y519-A562 WeakPolarHBondContact OH-CB 3.39Å
520	M	86.2	Confident	89.1	Confident	26 Å²	26	11.3 Å²	11.3	13%	0.128	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.6	174.7	-65.8	-168.1	76.9	0	0	110.6	E509 S522 K523 N524 G525 Y527	E509-M520 HydrophobicContact CB-SD 4.47Å; E509-M520 HydrophobicContact CG-CE 4.11Å; E509-M520 HydrophobicContact CG-SD 3.9Å; E509-M520 WeakPolarHBondContact OE1-CE 3.23Å; E509-M520 WeakPolarHBondContact OE2-CE 3.46Å; M520-S522 PolarHBondContact O-N 2.65Å; M520-K523 HydrophobicContact CB-CB 3.96Å; M520-K523 HydrophobicContact CB-CD 4.36Å; M520-K523 HydrophobicContact CB-CG 4.18Å; M520-K523 HydrophobicContact CE-CD 4.11Å; M520-K523 HydrophobicContact CE-CG 4.46Å; M520-K523 CarbonylContact O-C 3.51Å; M520-K523 PolarHBondContact O-N 2.87Å; M520-K523 VanDerWaalsContact O-N 3.08Å; M520-K523 HydrophobicContact SD-CD 3.61Å; M520-K523 HydrophobicContact SD-CG 4.33Å; M520-K523 PolarHBondContact SD-NZ 2.96Å; M520-K523 VanDerWaalsContact SD-NZ 3.37Å; M520-N524 PolarHBondContact O-N 3.38Å; M520-G525 PolarHBondContact N-O 3.48Å; M520-G525 PolarHBondContact O-N 2.84Å; M520-Y527 HydrophobicContact CB-CE2 4Å; M520-Y527 HydrophobicContact CG-CD2 3.99Å; M520-Y527 HydrophobicContact CG-CE2 3.68Å; M520-Y527 HydrophobicContact SD-CD2 4.29Å; M520-Y527 HydrophobicContact SD-CE2 3.67Å
521	Y	88	Confident	89.9	Confident	22 Å²	22	11.2 Å²	11.2	9%	0.086	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-57.3	-47.6	-179.1	-56	-83.3	0	0	0	113	F371 Y519 K523 N524 H561 D564 Y566 G574	F371-Y521 AromaticContact CD1-CE2 3.78Å; F371-Y521 HydrophobicContact CD1-CE2 3.78Å; F371-Y521 AromaticContact CE1-CE2 3.66Å; F371-Y521 HydrophobicContact CE1-CE2 3.66Å; F371-Y521 AromaticContact CE1-CZ 3.9Å; F371-Y521 VanDerWaalsContact CE1-OH 3.28Å; F371-Y521 WeakPolarHBondContact CE1-OH 3.27Å; Y519-Y521 AromaticContact CD1-CD1 3.87Å; Y519-Y521 HydrophobicContact CD1-CD1 3.87Å; Y519-Y521 HydrophobicContact CD1-CE1 4.03Å; Y519-Y521 HydrophobicContact CD1-CG 4.18Å; Y519-Y521 AromaticContact CE1-CD1 3.57Å; Y519-Y521 HydrophobicContact CE1-CD1 3.57Å; Y519-Y521 HydrophobicContact CE1-CE1 4.07Å; Y519-Y521 HydrophobicContact CE1-CG 4.03Å; Y521-K523 PolarHBondContact O-N 2.84Å; Y521-K523 VanDerWaalsContact O-N 3.12Å; Y521-N524 PolarHBondContact O-N 3.13Å; Y521-H561 HydrophobicContact CE1-CB 4.38Å; Y521-H561 VanDerWaalsContact CE1-O 3.26Å; Y521-H561 WeakPolarHBondContact CE1-O 3.4Å; Y521-D564 PolarHBondContact OH-OD2 3.13Å; Y521-Y566 AromaticContact CD1-CD1 3.59Å; Y521-Y566 HydrophobicContact CD1-CD1 3.59Å; Y521-Y566 HydrophobicContact CD1-CE1 4.06Å; Y521-Y566 AromaticContact CD2-CD1 3.82Å; Y521-Y566 HydrophobicContact CD2-CD1 3.82Å; Y521-Y566 AromaticContact CD2-CE1 3.86Å; Y521-Y566 HydrophobicContact CD2-CE1 3.86Å; Y521-Y566 AromaticContact CE1-CD1 3.72Å; Y521-Y566 HydrophobicContact CE1-CD1 3.72Å; Y521-Y566 AromaticContact CE2-CD1 3.96Å; Y521-Y566 HydrophobicContact CE2-CD1 3.96Å; Y521-Y566 HydrophobicContact CE2-CE1 4.41Å; Y521-Y566 AromaticContact CG-CD1 3.64Å; Y521-Y566 HydrophobicContact CG-CD1 3.64Å; Y521-Y566 AromaticContact CG-CE1 3.68Å; Y521-Y566 HydrophobicContact CG-CE1 3.68Å; Y521-Y566 AromaticContact CZ-CD1 3.91Å; Y521-G574 VanDerWaalsContact O-CA 3.27Å; Y521-G574 WeakPolarHBondContact O-CA 3.41Å
522	S	85.3	Confident	90.3	Very high	29 Å²	29	11.3 Å²	11.3	20%	0.203	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-61.6	-21.2	178.8	61.4	0	0	0	0	113.5	Q142 S147 M520 G574	Q142-S522 PolarHBondContact NE2-O 3.14Å; Q142-S522 PolarHBondContact OE1-OG 2.88Å; S147-S522 VanDerWaalsContact CB-O 3.23Å; S147-S522 WeakPolarHBondContact CB-O 3.14Å; M520-S522 PolarHBondContact O-N 2.65Å; S522-G574 WeakPolarHBondContact CA-O 3.5Å
523	K	87.8	Confident	90.5	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.009	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-103.7	-6.8	178.1	-61.7	-169.9	-172.7	163.4	0	112.8	R442 F505 E509 M520 Y521 G525 Y527	R442-K523 PolarHBondContact NH1-O 3.21Å; F505-K523 HydrophobicContact CD1-CB 3.73Å; F505-K523 HydrophobicContact CD1-CD 3.91Å; F505-K523 HydrophobicContact CD1-CG 3.66Å; F505-K523 HydrophobicContact CE1-CB 4.01Å; F505-K523 HydrophobicContact CE1-CD 4.48Å; F505-K523 HydrophobicContact CE1-CG 3.82Å; E509-K523 WeakPolarHBondContact OE1-CE 3.39Å; E509-K523 IonicContact OE1-NZ 3Å; E509-K523 PolarHBondContact OE1-NZ 2.91Å; M520-K523 HydrophobicContact CB-CB 3.96Å; M520-K523 HydrophobicContact CB-CD 4.36Å; M520-K523 HydrophobicContact CB-CG 4.18Å; M520-K523 HydrophobicContact CE-CD 4.11Å; M520-K523 HydrophobicContact CE-CG 4.46Å; M520-K523 CarbonylContact O-C 3.51Å; M520-K523 PolarHBondContact O-N 2.87Å; M520-K523 VanDerWaalsContact O-N 3.08Å; M520-K523 HydrophobicContact SD-CD 3.61Å; M520-K523 HydrophobicContact SD-CG 4.33Å; M520-K523 PolarHBondContact SD-NZ 2.96Å; M520-K523 VanDerWaalsContact SD-NZ 3.37Å; Y521-K523 PolarHBondContact O-N 2.84Å; Y521-K523 VanDerWaalsContact O-N 3.12Å; K523-G525 PolarHBondContact O-N 3.19Å; K523-Y527 HydrophobicContact CD-CE2 4.43Å; K523-Y527 WeakPolarHBondContact CD-OH 3.48Å
524	N	92.5	Very high	90.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	37.8	57.2	-164.7	-179.4	25.5	0	0	0	110.1	K437 M441 R442 Y519 M520 Y521 A572	K437-N524 PolarHBondContact O-ND2 2.72Å; M441-N524 CarbonylContact C-O 3.54Å; M441-N524 VanDerWaalsContact CA-O 3.32Å; M441-N524 WeakPolarHBondContact CA-O 3.4Å; R442-N524 PolarHBondContact N-O 2.83Å; Y519-N524 WeakPolarHBondContact OH-CA 3.43Å; Y519-N524 PolarHBondContact OH-OD1 3.19Å; M520-N524 PolarHBondContact O-N 3.38Å; Y521-N524 PolarHBondContact O-N 3.13Å; N524-A572 PolarHBondContact ND2-O 2.93Å
525	G	91.2	Very high	90.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135	-166.4	0	0	0	0	0	114.2	R442 M520 K523 Y527	R442-G525 VanDerWaalsContact O-CA 3.24Å; R442-G525 WeakPolarHBondContact O-CA 3.37Å; M520-G525 PolarHBondContact N-O 3.48Å; M520-G525 PolarHBondContact O-N 2.84Å; K523-G525 PolarHBondContact O-N 3.19Å; G525-Y527 WeakPolarHBondContact O-CE2 3.29Å
526	M	90.8	Very high	91	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.4	175.3	64.2	169.6	68.8	0	0	112	V409 M441 R442 R443 V444 W518 Y519 I528 E558 L559	V409-M526 HydrophobicContact CG1-CE 4.21Å; V409-M526 HydrophobicContact CG1-SD 3.76Å; V409-M526 HydrophobicContact CG2-SD 4.38Å; M441-M526 HydrophobicContact SD-CE 3.43Å; M441-M526 WeakPolarHBondContact SD-CE 3.45Å; R442-M526 PolarHBondContact O-N 2.89Å; R443-M526 CarbonylContact C-O 3.36Å; R443-M526 WeakPolarHBondContact CA-O 3.45Å; R443-M526 HydrophobicContact CB-CG 3.63Å; R443-M526 HydrophobicContact CB-SD 4.3Å; V444-M526 PolarHBondContact N-O 3.44Å; W518-M526 WeakPolarHBondContact O-CA 3.24Å; Y519-M526 HydrophobicContact CD2-CB 4.49Å; M526-I528 HydrophobicContact CG-CD1 4.46Å; M526-I528 HydrophobicContact SD-CD1 3.89Å; M526-E558 HydrophobicContact CB-CB 3.99Å; M526-L559 HydrophobicContact CE-CB 3.79Å; M526-L559 HydrophobicContact CE-CD1 4.36Å; M526-L559 HydrophobicContact CE-CG 4.18Å
527	Y	90.2	Very high	91.4	Very high	1 Å²	1	16 Å²	16	0%	0.004	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.3	-176.1	-66.1	-89.1	0	0	0	109.2	V444 F505 L507 M508 A517 W518 M520 K523 G525 P529	V444-Y527 HydrophobicContact CB-CD1 3.78Å; V444-Y527 HydrophobicContact CB-CE1 4.07Å; V444-Y527 HydrophobicContact CG2-CD1 3.86Å; V444-Y527 HydrophobicContact CG2-CE1 3.59Å; F505-Y527 PolarHBondContact O-OH 2.74Å; L507-Y527 VanDerWaalsContact O-CE1 3.26Å; L507-Y527 WeakPolarHBondContact O-CE1 3.46Å; M508-Y527 HydrophobicContact CB-CD1 4.14Å; M508-Y527 HydrophobicContact CE-CD1 4.3Å; M508-Y527 HydrophobicContact CG-CD1 3.95Å; A517-Y527 WeakPolarHBondContact CA-O 3.45Å; W518-Y527 AromaticContact CD1-CD2 3.69Å; W518-Y527 AromaticContact CE2-CG 3.93Å; W518-Y527 HydrophobicContact CZ2-CG 4.37Å; W518-Y527 PolarHBondContact N-O 3.35Å; W518-Y527 VanDerWaalsContact N-O 3.14Å; W518-Y527 AromaticContact NE1-CD2 3.49Å; W518-Y527 AromaticContact NE1-CG 3.46Å; W518-Y527 PolarHBondContact O-N 3.33Å; M520-Y527 HydrophobicContact CB-CE2 4Å; M520-Y527 HydrophobicContact CG-CD2 3.99Å; M520-Y527 HydrophobicContact CG-CE2 3.68Å; M520-Y527 HydrophobicContact SD-CD2 4.29Å; M520-Y527 HydrophobicContact SD-CE2 3.67Å; K523-Y527 HydrophobicContact CD-CE2 4.43Å; K523-Y527 WeakPolarHBondContact CD-OH 3.48Å; G525-Y527 WeakPolarHBondContact O-CE2 3.29Å; Y527-P529 WeakPolarHBondContact O-CD 3.36Å
528	I	93.9	Very high	91.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	86.6	-173.6	-52.3	146.6	0	0	0	108.3	V409 V444 V445 G446 M526 I532 I533 L551 M555	V409-I528 HydrophobicContact CG2-CD1 4.08Å; V444-I528 PolarHBondContact O-N 2.94Å; V445-I528 HydrophobicContact CG2-CD1 4.03Å; G446-I528 PolarHBondContact N-O 3.29Å; M526-I528 HydrophobicContact CG-CD1 4.46Å; M526-I528 HydrophobicContact SD-CD1 3.89Å; I528-I532 HydrophobicContact CG2-CG2 3.98Å; I528-I533 HydrophobicContact CG2-CD1 3.88Å; I528-I533 HydrophobicContact CG2-CG1 3.83Å; I528-L551 HydrophobicContact CG2-CD1 4.2Å; I528-M555 HydrophobicContact CD1-CB 4.48Å; I528-M555 HydrophobicContact CD1-CG 3.6Å; I528-M555 HydrophobicContact CD1-SD 3.64Å; I528-M555 HydrophobicContact CG1-CG 4.06Å
529	P	92.8	Very high	92	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	156.2	179.1	-27.1	31.5	0	0	0	115.3	G446 M508 P512 I514 N516 W518 Y527 G531 I532 I533	G446-P529 CarbonylContact O-C 3.49Å; M508-P529 HydrophobicContact CE-CB 4.32Å; M508-P529 HydrophobicContact CE-CG 3.81Å; P512-P529 WeakPolarHBondContact O-CB 3.31Å; I514-P529 WeakPolarHBondContact O-CB 3.45Å; N516-P529 WeakPolarHBondContact O-CD 3.43Å; N516-P529 WeakPolarHBondContact O-CG 3.27Å; W518-P529 HydrophobicContact CE3-CG 4.26Å; W518-P529 HydrophobicContact CH2-CG 3.49Å; W518-P529 VanDerWaalsContact CH2-CG 3.49Å; W518-P529 HydrophobicContact CZ3-CG 3.28Å; Y527-P529 WeakPolarHBondContact O-CD 3.36Å; P529-G531 PolarHBondContact O-N 2.9Å; P529-I532 WeakPolarHBondContact O-CG2 3.32Å; P529-I532 PolarHBondContact O-N 3.39Å; P529-I533 WeakPolarHBondContact O-CD1 3.49Å; P529-I533 WeakPolarHBondContact O-CG1 3.3Å
530	A	95.7	Very high	92.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.6	172.6	0	0	0	0	0	112.3	F391 I392 F397 G446 P512 I532 I533	F391-A530 HydrophobicContact CD1-CB 4.42Å; F391-A530 HydrophobicContact CE1-CB 4.27Å; I392-A530 HydrophobicContact CD1-CB 4.4Å; I392-A530 HydrophobicContact CG1-CB 3.94Å; F397-A530 HydrophobicContact CD1-CB 3.89Å; F397-A530 HydrophobicContact CD2-CB 4.03Å; F397-A530 HydrophobicContact CE1-CB 3.77Å; F397-A530 HydrophobicContact CE2-CB 3.95Å; F397-A530 HydrophobicContact CG-CB 4.01Å; F397-A530 HydrophobicContact CZ-CB 3.81Å; G446-A530 PolarHBondContact O-N 3.02Å; P512-A530 WeakPolarHBondContact O-CA 2.97Å; P512-A530 WeakPolarHBondContact O-CB 3Å; P512-A530 PolarHBondContact O-N 3.11Å; A530-I532 VanDerWaalsContact C-N 3.31Å; A530-I532 PolarHBondContact O-N 3.42Å; A530-I533 PolarHBondContact O-N 3.35Å
531	G	94.3	Very high	92.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-38	179.4	0	0	0	0	0	114	N44 P512 A513 I514 P529 Q534	N44-G531 PolarHBondContact ND2-O 3.43Å; P512-G531 PolarHBondContact O-N 2.85Å; A513-G531 WeakPolarHBondContact O-CA 3.37Å; I514-G531 CarbonylContact O-C 3.56Å; I514-G531 WeakPolarHBondContact O-CA 3.38Å; P529-G531 PolarHBondContact O-N 2.9Å; G531-Q534 PolarHBondContact O-NE2 3.35Å
532	I	93.7	Very high	92.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-21.4	178.8	-156.8	169.2	0	0	0	113.8	F37 I514 T515 N516 I528 P529 A530 Q534 I537 I554	F37-I532 HydrophobicContact CE1-CD1 4.3Å; I514-I532 PolarHBondContact O-N 3Å; T515-I532 HydrophobicContact CG2-CG1 4.47Å; N516-I532 WeakPolarHBondContact O-CG2 3.28Å; I528-I532 HydrophobicContact CG2-CG2 3.98Å; P529-I532 WeakPolarHBondContact O-CG2 3.32Å; P529-I532 PolarHBondContact O-N 3.39Å; A530-I532 VanDerWaalsContact C-N 3.31Å; A530-I532 PolarHBondContact O-N 3.42Å; I532-Q534 PolarHBondContact O-N 3.04Å; I532-I537 HydrophobicContact CD1-CD1 4.18Å; I532-I537 HydrophobicContact CG1-CD1 3.49Å; I532-I537 VanDerWaalsContact CG1-CD1 3.49Å; I532-I537 HydrophobicContact CG1-CG2 4.41Å; I532-I554 HydrophobicContact CD1-CD1 3.83Å; I532-I554 HydrophobicContact CD1-CG2 4.3Å; I532-I554 HydrophobicContact CG1-CD1 4.41Å
533	I	96.4	Very high	92.7	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.132	C	C	.	.	S	Bend	trans	-82.6	63.7	-176.4	-56.2	165.4	0	0	0	110.6	F397 T401 V405 V445 I528 P529 A530 F538 L551	F397-I533 HydrophobicContact CE2-CB 3.75Å; F397-I533 HydrophobicContact CE2-CD1 4.1Å; F397-I533 HydrophobicContact CE2-CG2 3.82Å; F397-I533 HydrophobicContact CZ-CB 4.5Å; F397-I533 HydrophobicContact CZ-CD1 3.99Å; T401-I533 HydrophobicContact CG2-CG2 3.52Å; V405-I533 HydrophobicContact CG1-CD1 4.4Å; V405-I533 HydrophobicContact CG2-CD1 4.39Å; V405-I533 HydrophobicContact CG2-CG2 3.62Å; V445-I533 HydrophobicContact CG1-CD1 3.96Å; I528-I533 HydrophobicContact CG2-CD1 3.88Å; I528-I533 HydrophobicContact CG2-CG1 3.83Å; P529-I533 WeakPolarHBondContact O-CD1 3.49Å; P529-I533 WeakPolarHBondContact O-CG1 3.3Å; A530-I533 PolarHBondContact O-N 3.35Å; I533-F538 HydrophobicContact CG2-CB 4.07Å; I533-F538 HydrophobicContact CG2-CD1 3.64Å; I533-F538 HydrophobicContact CG2-CE1 4.27Å; I533-F538 HydrophobicContact CG2-CG 3.85Å; I533-L551 HydrophobicContact CG1-CD2 4.25Å; I533-L551 HydrophobicContact CG2-CD2 4.2Å
534	Q	94.1	Very high	93.1	Very high	24 Å²	24	26.7 Å²	26.7	11%	0.112	14%	0.143	C	C	.	.	S	Bend	trans	-149.2	160.7	-177.5	-67.3	-178.2	83.3	0	0	111.7	L40 N44 F391 G531 I532 I537 F538	L40-Q534 HydrophobicContact CD1-CB 3.95Å; N44-Q534 PolarHBondContact ND2-NE2 3.14Å; N44-Q534 PolarHBondContact OD1-NE2 3.02Å; F391-Q534 VanDerWaalsContact CZ-NE2 3.32Å; G531-Q534 PolarHBondContact O-NE2 3.35Å; I532-Q534 PolarHBondContact O-N 3.04Å; Q534-I537 CarbonylContact O-C 3.59Å; Q534-I537 WeakPolarHBondContact O-CA 3.19Å; Q534-I537 WeakPolarHBondContact O-CB 3.36Å; Q534-I537 PolarHBondContact O-N 2.66Å; Q534-F538 CarbonylContact C-O 2.98Å; Q534-F538 PolarHBondContact O-N 3.4Å
535	F	93.3	Very high	93.3	Very high	117 Å²	117	26.7 Å²	26.7	51%	0.513	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	133.3	179.6	-172.7	-89	0	0	0	109.7	R43 F538 V542	R43-F535 PolarHBondContact NH1-O 3.31Å; F535-F538 VanDerWaalsContact CA-O 3.23Å; F535-F538 WeakPolarHBondContact CA-O 3.33Å; F535-F538 PolarHBondContact N-O 3.15Å; F535-V542 HydrophobicContact CD2-CG1 4.35Å; F535-V542 HydrophobicContact CE2-CG1 4.3Å
536	P	92.6	Very high	93.5	Very high	53 Å²	53	27.6 Å²	27.6	34%	0.344	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.7	-2.6	18.7	35	-37	0	0	0	117.3	T36	T36-P536 HydrophobicContact CG2-CG 3.46Å; T36-P536 VanDerWaalsContact CG2-CG 3.46Å
537	I	95.4	Very high	93.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-40.9	-177.6	-58.3	-178.7	0	0	0	111.7	F37 L40 I532 Q534 A550 L551 I554 L667	F37-I537 HydrophobicContact CD1-CD1 4.17Å; F37-I537 HydrophobicContact CE1-CD1 4.05Å; L40-I537 HydrophobicContact CD2-CD1 3.62Å; L40-I537 HydrophobicContact CD2-CG1 4.16Å; I532-I537 HydrophobicContact CD1-CD1 4.18Å; I532-I537 HydrophobicContact CG1-CD1 3.49Å; I532-I537 VanDerWaalsContact CG1-CD1 3.49Å; I532-I537 HydrophobicContact CG1-CG2 4.41Å; Q534-I537 CarbonylContact O-C 3.59Å; Q534-I537 WeakPolarHBondContact O-CA 3.19Å; Q534-I537 WeakPolarHBondContact O-CB 3.36Å; Q534-I537 PolarHBondContact O-N 2.66Å; I537-A550 WeakPolarHBondContact O-CB 3.32Å; I537-L551 HydrophobicContact CG2-CB 3.84Å; I537-L551 HydrophobicContact CG2-CD1 3.92Å; I537-L551 HydrophobicContact CG2-CG 4.46Å; I537-L551 WeakPolarHBondContact O-CB 3.37Å; I537-L551 PolarHBondContact O-N 3.49Å; I537-L551 VanDerWaalsContact O-N 3.13Å; I537-I554 HydrophobicContact CD1-CD1 4.21Å; I537-I554 HydrophobicContact CG2-CD1 3.64Å; I537-L667 HydrophobicContact CD1-CD1 4.14Å; I537-L667 HydrophobicContact CG1-CD1 3.83Å
538	F	96.2	Very high	94.2	Very high	10 Å²	10	28.3 Å²	28.3	4%	0.044	15%	0.152	C	C	.	.			trans	-141.2	143.5	177.8	178.5	-94.4	0	0	0	113.3	T401 V405 M408 I533 Q534 F535 K540 N547 L551	T401-F538 HydrophobicContact CG2-CD1 4.19Å; T401-F538 HydrophobicContact CG2-CE1 3.73Å; T401-F538 HydrophobicContact CG2-CZ 4.48Å; V405-F538 HydrophobicContact CG2-CD2 4.1Å; V405-F538 HydrophobicContact CG2-CE2 3.87Å; V405-F538 HydrophobicContact CG2-CZ 4.09Å; M408-F538 HydrophobicContact SD-CD2 4.31Å; M408-F538 HydrophobicContact SD-CE2 4.03Å; I533-F538 HydrophobicContact CG2-CB 4.07Å; I533-F538 HydrophobicContact CG2-CD1 3.64Å; I533-F538 HydrophobicContact CG2-CE1 4.27Å; I533-F538 HydrophobicContact CG2-CG 3.85Å; Q534-F538 CarbonylContact C-O 2.98Å; Q534-F538 PolarHBondContact O-N 3.4Å; F535-F538 VanDerWaalsContact CA-O 3.23Å; F535-F538 WeakPolarHBondContact CA-O 3.33Å; F535-F538 PolarHBondContact N-O 3.15Å; F538-K540 HydrophobicContact CE1-CG 4.09Å; F538-K540 HydrophobicContact CZ-CG 4.49Å; F538-N547 HydrophobicContact CD2-CB 4.27Å; F538-L551 HydrophobicContact CB-CB 4.31Å; F538-L551 HydrophobicContact CB-CD2 3.88Å; F538-L551 HydrophobicContact CD2-CD2 3.73Å; F538-L551 HydrophobicContact CG-CD2 4.02Å
539	G	93.7	Very high	94.3	Very high	13 Å²	13	28.3 Å²	28.3	13%	0.134	15%	0.152	C	C	.	.			trans	-147.4	142.3	166.3	0	0	0	0	0	112.6	D541 V542 N547	G539-D541 VanDerWaalsContact C-N 3.32Å; G539-D541 PolarHBondContact O-N 2.89Å; G539-V542 WeakPolarHBondContact O-CG2 3.4Å; G539-N547 PolarHBondContact N-OD1 3.33Å; G539-N547 PolarHBondContact O-ND2 2.97Å; G539-N547 PolarHBondContact O-OD1 3.4Å
540	K	89.3	Confident	94.5	Very high	75 Å²	75	28.4 Å²	28.4	33%	0.326	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-36.7	176.9	-67.7	-171.7	177.6	-171.8	0	113.3	D398 E400 T401 F538	D398-K540 WeakPolarHBondContact OD1-CE 3.5Å; D398-K540 IonicContact OD1-NZ 3.5Å; D398-K540 PolarHBondContact OD1-NZ 2.85Å; D398-K540 IonicContact OD2-NZ 3.89Å; D398-K540 PolarHBondContact OD2-NZ 2.64Å; E400-K540 IonicContact OE2-NZ 2.77Å; E400-K540 PolarHBondContact OE2-NZ 3.09Å; T401-K540 WeakPolarHBondContact OG1-CE 3.41Å; F538-K540 HydrophobicContact CE1-CG 4.09Å; F538-K540 HydrophobicContact CZ-CG 4.49Å
541	D	87.4	Confident	94.6	Very high	167 Å²	167	28.4 Å²	28.4	89%	0.893	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	12.2	-171.8	-61.2	-51.3	0	0	0	113.7	G539	G539-D541 VanDerWaalsContact C-N 3.32Å; G539-D541 PolarHBondContact O-N 2.89Å
542	V	91.6	Very high	94.8	Very high	38 Å²	38	28.4 Å²	28.4	23%	0.23	15%	0.153	C	C	.	.	S	Bend	trans	-95.3	155.4	175.8	-56.7	0	0	0	0	111.1	F535 G539 V546 N547	F535-V542 HydrophobicContact CD2-CG1 4.35Å; F535-V542 HydrophobicContact CE2-CG1 4.3Å; G539-V542 WeakPolarHBondContact O-CG2 3.4Å; V542-V546 HydrophobicContact CB-CB 4.19Å; V542-V546 HydrophobicContact CB-CG1 4.3Å; V542-V546 HydrophobicContact CG2-CB 3.88Å; V542-V546 HydrophobicContact CG2-CG1 3.92Å; V542-N547 WeakPolarHBondContact CG2-OD1 3.33Å
543	P	94	Very high	95	Very high	21 Å²	21	28.5 Å²	28.5	14%	0.136	15%	0.154	C	C	.	.			trans	-56.3	145.8	176.2	-25.1	34.3	0	0	0	111.9	A545 V546 L648 M656	P543-A545 PolarHBondContact O-N 3.18Å; P543-A545 VanDerWaalsContact O-N 3.08Å; P543-V546 HydrophobicContact CB-CG2 4.47Å; P543-V546 HydrophobicContact CG-CG2 4.48Å; P543-V546 WeakPolarHBondContact O-CB 3.5Å; P543-V546 PolarHBondContact O-N 2.88Å; P543-L648 HydrophobicContact CG-CD2 3.67Å; P543-L648 HydrophobicContact CG-CG 4.09Å; P543-M656 HydrophobicContact CB-SD 4.2Å
544	P	96.1	Very high	95.1	Very high	36 Å²	36	29.1 Å²	29.1	23%	0.234	16%	0.157	C	C	.	.	H	α-helix	trans	-52.9	-34.7	177.5	-28.5	35.7	0	0	0	113.5	V546 N547 F548 Y636 F639 V640	P544-V546 PolarHBondContact O-N 3.1Å; P544-N547 PolarHBondContact O-N 3.35Å; P544-F548 HydrophobicContact CB-CD2 4.26Å; P544-F548 WeakPolarHBondContact O-CB 3.41Å; P544-F548 WeakPolarHBondContact O-CD2 3.43Å; P544-F548 PolarHBondContact O-N 3.1Å; P544-Y636 HydrophobicContact CB-CD2 4.4Å; P544-Y636 HydrophobicContact CB-CE2 4.4Å; P544-F639 HydrophobicContact CB-CD1 3.92Å; P544-F639 HydrophobicContact CB-CE1 3.92Å; P544-F639 HydrophobicContact CG-CD1 4.2Å; P544-F639 HydrophobicContact CG-CE1 3.83Å; P544-V640 HydrophobicContact CB-CG1 3.9Å; P544-V640 HydrophobicContact CG-CG1 4.2Å
545	A	96.1	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.9	-35.3	175	0	0	0	0	0	113.5	P543 G549 Y636 M656 I659 F660	P543-A545 PolarHBondContact O-N 3.18Å; P543-A545 VanDerWaalsContact O-N 3.08Å; A545-G549 PolarHBondContact O-N 2.75Å; A545-Y636 HydrophobicContact CB-CD2 4.46Å; A545-Y636 HydrophobicContact CB-CE2 3.75Å; A545-M656 HydrophobicContact CB-CB 4.08Å; A545-M656 VanDerWaalsContact CB-O 3.32Å; A545-M656 WeakPolarHBondContact CB-O 3.25Å; A545-I659 HydrophobicContact CB-CB 4.35Å; A545-I659 HydrophobicContact CB-CG2 4.27Å; A545-F660 HydrophobicContact CB-CB 4.23Å; A545-F660 WeakPolarHBondContact O-CA 3.38Å
546	V	95.7	Very high	95.5	Very high	20 Å²	20	22.4 Å²	22.4	12%	0.121	13%	0.127	C	C	.	.	H	α-helix	trans	-69.8	-51.5	177.1	178.6	0	0	0	0	110.1	V542 P543 P544 G549 A550 I659 S663	V542-V546 HydrophobicContact CB-CB 4.19Å; V542-V546 HydrophobicContact CB-CG1 4.3Å; V542-V546 HydrophobicContact CG2-CB 3.88Å; V542-V546 HydrophobicContact CG2-CG1 3.92Å; P543-V546 HydrophobicContact CB-CG2 4.47Å; P543-V546 HydrophobicContact CG-CG2 4.48Å; P543-V546 WeakPolarHBondContact O-CB 3.5Å; P543-V546 PolarHBondContact O-N 2.88Å; P544-V546 PolarHBondContact O-N 3.1Å; V546-G549 PolarHBondContact O-N 3.35Å; V546-A550 PolarHBondContact O-N 3.47Å; V546-I659 HydrophobicContact CG2-CG2 3.63Å; V546-S663 WeakPolarHBondContact CA-OG 3.31Å; V546-S663 PolarHBondContact O-OG 3.04Å
547	N	97.3	Very high	95.7	Very high	14 Å²	14	20.5 Å²	20.5	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-46.4	-179	-74.3	-18.7	0	0	0	112	M408 F538 G539 V542 P544 A550 L551 G552	M408-N547 HydrophobicContact CE-CB 3.88Å; M408-N547 HydrophobicContact SD-CB 4.07Å; F538-N547 HydrophobicContact CD2-CB 4.27Å; G539-N547 PolarHBondContact N-OD1 3.33Å; G539-N547 PolarHBondContact O-ND2 2.97Å; G539-N547 PolarHBondContact O-OD1 3.4Å; V542-N547 WeakPolarHBondContact CG2-OD1 3.33Å; P544-N547 PolarHBondContact O-N 3.35Å; N547-A550 CarbonylContact O-C 3.56Å; N547-A550 PolarHBondContact O-N 2.98Å; N547-L551 PolarHBondContact O-N 3.43Å; N547-G552 PolarHBondContact O-N 3.33Å
548	F	98.1	Very high	95.7	Very high	2 Å²	2	21 Å²	21	1%	0.009	12%	0.116	C	C	.	.	I	π-helix	trans	-68	-36	177	-82	-80.8	0	0	0	111.9	M408 E411 P544 A550 G552 T553 S632 A635 Y636 F639 F660	M408-F548 HydrophobicContact CB-CE1 4.19Å; M408-F548 HydrophobicContact CB-CZ 4.12Å; M408-F548 HydrophobicContact CE-CD1 4.1Å; M408-F548 HydrophobicContact CE-CD2 4.3Å; M408-F548 HydrophobicContact CE-CE1 4.28Å; M408-F548 HydrophobicContact CE-CE2 4.47Å; M408-F548 HydrophobicContact CE-CG 4.11Å; M408-F548 HydrophobicContact CE-CZ 4.46Å; M408-F548 HydrophobicContact CG-CE1 4.3Å; M408-F548 HydrophobicContact CG-CE2 4.16Å; M408-F548 HydrophobicContact CG-CZ 3.85Å; E411-F548 HydrophobicContact CB-CE1 4.3Å; E411-F548 HydrophobicContact CB-CZ 4.22Å; P544-F548 HydrophobicContact CB-CD2 4.26Å; P544-F548 WeakPolarHBondContact O-CB 3.41Å; P544-F548 WeakPolarHBondContact O-CD2 3.43Å; P544-F548 PolarHBondContact O-N 3.1Å; F548-A550 PolarHBondContact O-N 3.43Å; F548-G552 CarbonylContact O-C 3.51Å; F548-G552 WeakPolarHBondContact O-CA 3.45Å; F548-T553 PolarHBondContact O-N 3.42Å; F548-T553 VanDerWaalsContact O-N 3.13Å; F548-S632 PolarHBondContact O-OG 3.36Å; F548-A635 HydrophobicContact CD1-CB 4.1Å; F548-A635 HydrophobicContact CE1-CB 3.72Å; F548-Y636 HydrophobicContact CB-CD2 4.44Å; F548-Y636 HydrophobicContact CB-CG 4.35Å; F548-Y636 HydrophobicContact CD2-CD2 4.22Å; F548-F639 HydrophobicContact CE2-CB 3.82Å; F548-F639 AromaticContact CE2-CD1 3.76Å; F548-F639 HydrophobicContact CE2-CD1 3.76Å; F548-F639 HydrophobicContact CE2-CD2 4.19Å; F548-F639 HydrophobicContact CE2-CE1 4.33Å; F548-F639 AromaticContact CE2-CG 3.66Å; F548-F639 HydrophobicContact CE2-CG 3.66Å; F548-F639 HydrophobicContact CZ-CB 3.9Å; F548-F639 HydrophobicContact CZ-CD2 4.18Å; F548-F639 AromaticContact CZ-CG 3.97Å; F548-F639 HydrophobicContact CZ-CG 3.97Å; F548-F660 HydrophobicContact CB-CD2 4.09Å; F548-F660 HydrophobicContact CB-CE2 3.92Å
549	G	97	Very high	95.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-71	-14	175.9	0	0	0	0	0	114.4	A545 V546 T553 S663 Y664	A545-G549 PolarHBondContact O-N 2.75Å; V546-G549 PolarHBondContact O-N 3.35Å; G549-T553 PolarHBondContact O-OG1 2.57Å; G549-S663 CarbonylContact O-C 3.49Å; G549-Y664 WeakPolarHBondContact O-CA 3.42Å; G549-Y664 VanDerWaalsContact O-CB 3.24Å; G549-Y664 WeakPolarHBondContact O-CB 3.43Å; G549-Y664 PolarHBondContact O-N 3.4Å
550	A	97.3	Very high	95.8	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.017	11%	0.107	C	C	.	.	I	π-helix	trans	-117.2	-86.7	176.8	0	0	0	0	0	111.3	I537 V546 N547 F548 G552 T553 I554	I537-A550 WeakPolarHBondContact O-CB 3.32Å; V546-A550 PolarHBondContact O-N 3.47Å; N547-A550 CarbonylContact O-C 3.56Å; N547-A550 PolarHBondContact O-N 2.98Å; F548-A550 PolarHBondContact O-N 3.43Å; A550-G552 PolarHBondContact O-N 2.88Å; A550-G552 VanDerWaalsContact O-N 3.14Å; A550-T553 PolarHBondContact O-N 2.88Å; A550-T553 PolarHBondContact O-OG1 3.43Å; A550-I554 PolarHBondContact O-N 3.28Å
551	L	98	Very high	95.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-55.2	-36.7	178.4	-172.7	60.7	0	0	0	113	V405 I528 I533 I537 F538 N547 T553 I554 M555	V405-L551 HydrophobicContact CB-CD2 4.44Å; V405-L551 HydrophobicContact CG1-CD2 3.88Å; V405-L551 HydrophobicContact CG2-CD2 3.66Å; I528-L551 HydrophobicContact CG2-CD1 4.2Å; I533-L551 HydrophobicContact CG1-CD2 4.25Å; I533-L551 HydrophobicContact CG2-CD2 4.2Å; I537-L551 HydrophobicContact CG2-CB 3.84Å; I537-L551 HydrophobicContact CG2-CD1 3.92Å; I537-L551 HydrophobicContact CG2-CG 4.46Å; I537-L551 WeakPolarHBondContact O-CB 3.37Å; I537-L551 PolarHBondContact O-N 3.49Å; I537-L551 VanDerWaalsContact O-N 3.13Å; F538-L551 HydrophobicContact CB-CB 4.31Å; F538-L551 HydrophobicContact CB-CD2 3.88Å; F538-L551 HydrophobicContact CD2-CD2 3.73Å; F538-L551 HydrophobicContact CG-CD2 4.02Å; N547-L551 PolarHBondContact O-N 3.43Å; L551-T553 VanDerWaalsContact C-N 3.33Å; L551-T553 PolarHBondContact O-N 3.12Å; L551-I554 PolarHBondContact O-N 2.87Å; L551-M555 HydrophobicContact CD1-CG 4.22Å; L551-M555 HydrophobicContact CD2-CE 4.22Å; L551-M555 HydrophobicContact CD2-SD 4.32Å; L551-M555 HydrophobicContact CG-CE 3.86Å; L551-M555 HydrophobicContact CG-CG 4.21Å; L551-M555 HydrophobicContact CG-SD 4.06Å; L551-M555 WeakPolarHBondContact O-CG 3.27Å; L551-M555 PolarHBondContact O-N 2.92Å
552	G	98.4	Very high	96.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-63	-37.1	178	0	0	0	0	0	113.2	N547 F548 A550 S556	N547-G552 PolarHBondContact O-N 3.33Å; F548-G552 CarbonylContact O-C 3.51Å; F548-G552 WeakPolarHBondContact O-CA 3.45Å; A550-G552 PolarHBondContact O-N 2.88Å; A550-G552 VanDerWaalsContact O-N 3.14Å; G552-S556 WeakPolarHBondContact O-CB 3.33Å; G552-S556 PolarHBondContact O-N 3.3Å
553	T	97.9	Very high	96.3	Very high	3 Å²	3	7.1 Å²	7.1	2%	0.018	4%	0.041	C	C	.	.	H	α-helix	trans	-70.5	-39.4	174.6	52.6	0	0	0	0	110.9	F548 G549 A550 L551 S556 H557 S628 V629 S632 F660 Y664	F548-T553 PolarHBondContact O-N 3.42Å; F548-T553 VanDerWaalsContact O-N 3.13Å; G549-T553 PolarHBondContact O-OG1 2.57Å; A550-T553 PolarHBondContact O-N 2.88Å; A550-T553 PolarHBondContact O-OG1 3.43Å; L551-T553 VanDerWaalsContact C-N 3.33Å; L551-T553 PolarHBondContact O-N 3.12Å; T553-S556 CarbonylContact O-C 3.56Å; T553-S556 PolarHBondContact O-N 3.28Å; T553-H557 WeakPolarHBondContact O-CB 3.2Å; T553-H557 PolarHBondContact O-N 3.32Å; T553-S628 WeakPolarHBondContact O-CB 3.49Å; T553-V629 HydrophobicContact CG2-CG2 4.31Å; T553-S632 PolarHBondContact N-OG 3.34Å; T553-F660 HydrophobicContact CG2-CZ 4.25Å; T553-Y664 HydrophobicContact CG2-CD2 3.7Å; T553-Y664 HydrophobicContact CG2-CE2 4.27Å
554	I	97.1	Very high	96.2	Very high	16 Å²	16	6.1 Å²	6.1	8%	0.082	3%	0.034	C	C	.	.	H	α-helix	trans	-59.7	-51.9	174.3	-60.5	173.3	0	0	0	110.8	F37 A517 I532 I537 A550 L551 S556 H557 E558 L667	F37-I554 HydrophobicContact CE1-CD1 4.1Å; F37-I554 HydrophobicContact CZ-CD1 4.44Å; A517-I554 HydrophobicContact CB-CG2 3.74Å; I532-I554 HydrophobicContact CD1-CD1 3.83Å; I532-I554 HydrophobicContact CD1-CG2 4.3Å; I532-I554 HydrophobicContact CG1-CD1 4.41Å; I537-I554 HydrophobicContact CD1-CD1 4.21Å; I537-I554 HydrophobicContact CG2-CD1 3.64Å; A550-I554 PolarHBondContact O-N 3.28Å; L551-I554 PolarHBondContact O-N 2.87Å; I554-S556 PolarHBondContact O-N 3.09Å; I554-H557 WeakPolarHBondContact O-CA 3.41Å; I554-H557 VanDerWaalsContact O-CB 3.24Å; I554-H557 WeakPolarHBondContact O-CB 3.48Å; I554-H557 PolarHBondContact O-N 3.14Å; I554-E558 WeakPolarHBondContact O-CG 3.33Å; I554-E558 PolarHBondContact O-N 3.21Å; I554-L667 HydrophobicContact CD1-CD1 4.07Å; I554-L667 HydrophobicContact CD1-CD2 4.01Å; I554-L667 HydrophobicContact CG1-CD2 3.76Å
555	M	97.7	Very high	95.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-64.1	-30	179.1	-65.8	-175.7	-59.8	0	0	112.9	V405 M408 V409 L412 I528 L551 L559	V405-M555 HydrophobicContact CG1-CE 4.24Å; V405-M555 HydrophobicContact CG1-SD 3.49Å; V405-M555 WeakPolarHBondContact CG1-SD 3.36Å; M408-M555 HydrophobicContact CB-CE 3.65Å; M408-M555 HydrophobicContact CE-CE 3.78Å; M408-M555 HydrophobicContact SD-CE 4.35Å; V409-M555 HydrophobicContact CG2-CE 4.3Å; V409-M555 HydrophobicContact CG2-SD 3.45Å; V409-M555 WeakPolarHBondContact CG2-SD 3.42Å; L412-M555 HydrophobicContact CD1-CB 3.36Å; L412-M555 HydrophobicContact CD1-CE 3.77Å; L412-M555 HydrophobicContact CD1-CG 4.48Å; I528-M555 HydrophobicContact CD1-CB 4.48Å; I528-M555 HydrophobicContact CD1-CG 3.6Å; I528-M555 HydrophobicContact CD1-SD 3.64Å; I528-M555 HydrophobicContact CG1-CG 4.06Å; L551-M555 HydrophobicContact CD1-CG 4.22Å; L551-M555 HydrophobicContact CD2-CE 4.22Å; L551-M555 HydrophobicContact CD2-SD 4.32Å; L551-M555 HydrophobicContact CG-CE 3.86Å; L551-M555 HydrophobicContact CG-CG 4.21Å; L551-M555 HydrophobicContact CG-SD 4.06Å; L551-M555 WeakPolarHBondContact O-CG 3.27Å; L551-M555 PolarHBondContact O-N 2.92Å; M555-L559 PolarHBondContact O-N 2.84Å; M555-L559 VanDerWaalsContact O-N 3.14Å
556	S	97.8	Very high	95	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-75.1	-30.1	174.5	-165.2	0	0	0	0	112.4	G552 T553 I554 T560 S628	G552-S556 WeakPolarHBondContact O-CB 3.33Å; G552-S556 PolarHBondContact O-N 3.3Å; T553-S556 CarbonylContact O-C 3.56Å; T553-S556 PolarHBondContact O-N 3.28Å; I554-S556 PolarHBondContact O-N 3.09Å; S556-T560 PolarHBondContact O-N 3.4Å; S556-T560 PolarHBondContact O-OG1 2.99Å; S556-S628 VanDerWaalsContact CB-O 3.29Å; S556-S628 WeakPolarHBondContact CB-O 3.38Å; S556-S628 PolarHBondContact OG-O 2.76Å
557	H	97	Very high	94.7	Very high	13 Å²	13	5.6 Å²	5.6	6%	0.06	3%	0.027	C	C	.	.	H	α-helix	trans	-63.2	-52.1	172	175.9	105	0	0	0	109.1	T553 I554 L559 T560 H561 E621 A624 D625 R692	T553-H557 WeakPolarHBondContact O-CB 3.2Å; T553-H557 PolarHBondContact O-N 3.32Å; I554-H557 WeakPolarHBondContact O-CA 3.41Å; I554-H557 VanDerWaalsContact O-CB 3.24Å; I554-H557 WeakPolarHBondContact O-CB 3.48Å; I554-H557 PolarHBondContact O-N 3.14Å; H557-L559 VanDerWaalsContact C-N 3.27Å; H557-L559 PolarHBondContact O-N 3.13Å; H557-T560 WeakPolarHBondContact O-CA 3.24Å; H557-T560 VanDerWaalsContact O-CB 3.31Å; H557-T560 WeakPolarHBondContact O-CB 3.45Å; H557-T560 PolarHBondContact O-N 3.22Å; H557-H561 AromaticContact CD2-CD2 3.87Å; H557-H561 AromaticContact CD2-NE2 3.5Å; H557-H561 PolarHBondContact CD2-NE2 3.45Å; H557-H561 AromaticContact CE1-NE2 3.98Å; H557-H561 AromaticContact NE2-CD2 3.91Å; H557-H561 AromaticContact NE2-CE1 3.92Å; H557-H561 AromaticContact NE2-NE2 3.07Å; H557-H561 PolarHBondContact NE2-NE2 3.14Å; H557-H561 PolarHBondContact O-N 2.91Å; H557-H561 VanDerWaalsContact O-N 3.17Å; H557-E621 IonicContact CE1-OE2 2.71Å; H557-E621 PolarHBondContact CE1-OE2 3.14Å; H557-E621 IonicContact NE2-OE1 3.55Å; H557-E621 IonicContact NE2-OE2 2.75Å; H557-E621 PolarHBondContact NE2-OE2 2.84Å; H557-A624 WeakPolarHBondContact CE1-CB 3.19Å; H557-A624 WeakPolarHBondContact ND1-CB 3.43Å; H557-D625 IonicContact CE1-OD1 2.62Å; H557-D625 PolarHBondContact CE1-OD1 2.75Å; H557-D625 PolarHBondContact ND1-N 2.89Å; H557-D625 IonicContact ND1-OD1 3.34Å; H557-D625 PolarHBondContact ND1-OD1 3.2Å; H557-R692 PolarHBondContact CE1-NH2 3.13Å
558	E	95.4	Very high	94.3	Very high	11 Å²	11	5.6 Å²	5.6	5%	0.051	3%	0.028	C	C	.	.	H	α-helix	trans	-57.5	-37.1	174.7	-55.8	-44.8	143.4	0	0	113.8	A517 W518 Y519 M526 I554 T560 H561	A517-E558 HydrophobicContact CB-CG 3.96Å; W518-E558 WeakPolarHBondContact CA-OE2 3.39Å; Y519-E558 VanDerWaalsContact CD2-O 3.25Å; Y519-E558 WeakPolarHBondContact CD2-O 3.37Å; Y519-E558 PolarHBondContact N-OE2 3.29Å; M526-E558 HydrophobicContact CB-CB 3.99Å; I554-E558 WeakPolarHBondContact O-CG 3.33Å; I554-E558 PolarHBondContact O-N 3.21Å; E558-T560 VanDerWaalsContact C-N 3.3Å; E558-H561 IonicContact OE2-CD2 2.68Å
559	L	96.1	Very high	93.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-65.7	-38	174.9	-165.6	164	0	0	0	110.8	L412 V413 F416 I438 M441 M526 M555 H557 H561 A562	L412-L559 HydrophobicContact CB-CD1 4.43Å; V413-L559 HydrophobicContact CG2-CD1 3.96Å; F416-L559 HydrophobicContact CB-CD1 4.18Å; F416-L559 HydrophobicContact CB-CD2 3.73Å; F416-L559 HydrophobicContact CD1-CD2 3.62Å; F416-L559 HydrophobicContact CD2-CD1 4.35Å; F416-L559 HydrophobicContact CD2-CD2 3.6Å; F416-L559 HydrophobicContact CD2-CG 4.42Å; F416-L559 HydrophobicContact CE1-CD2 4.13Å; F416-L559 HydrophobicContact CE2-CD2 4.11Å; F416-L559 HydrophobicContact CG-CD1 4.4Å; F416-L559 HydrophobicContact CG-CD2 3.33Å; F416-L559 HydrophobicContact CG-CG 4.46Å; F416-L559 HydrophobicContact CZ-CD2 4.35Å; I438-L559 HydrophobicContact CG1-CD2 4.48Å; M441-L559 HydrophobicContact CE-CD2 4.23Å; M441-L559 HydrophobicContact CE-CG 3.87Å; M441-L559 HydrophobicContact SD-CG 4.07Å; M526-L559 HydrophobicContact CE-CB 3.79Å; M526-L559 HydrophobicContact CE-CD1 4.36Å; M526-L559 HydrophobicContact CE-CG 4.18Å; M555-L559 PolarHBondContact O-N 2.84Å; M555-L559 VanDerWaalsContact O-N 3.14Å; H557-L559 VanDerWaalsContact C-N 3.27Å; H557-L559 PolarHBondContact O-N 3.13Å; L559-H561 VanDerWaalsContact C-N 3.3Å; L559-H561 PolarHBondContact O-N 3.21Å; L559-A562 WeakPolarHBondContact O-CB 3.32Å; L559-A562 PolarHBondContact O-N 2.86Å; L559-A562 VanDerWaalsContact O-N 3.14Å
560	T	96	Very high	93.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-67.7	-30.4	-178.3	-52	0	0	0	0	111.8	F416 S556 H557 E558 A562 L563 D564 I623 A624 W724	F416-T560 WeakPolarHBondContact CE2-OG1 3.38Å; F416-T560 HydrophobicContact CZ-CG2 3.91Å; F416-T560 WeakPolarHBondContact CZ-OG1 3.48Å; S556-T560 PolarHBondContact O-N 3.4Å; S556-T560 PolarHBondContact O-OG1 2.99Å; H557-T560 WeakPolarHBondContact O-CA 3.24Å; H557-T560 VanDerWaalsContact O-CB 3.31Å; H557-T560 WeakPolarHBondContact O-CB 3.45Å; H557-T560 PolarHBondContact O-N 3.22Å; E558-T560 VanDerWaalsContact C-N 3.3Å; T560-A562 PolarHBondContact O-N 2.72Å; T560-A562 VanDerWaalsContact O-N 3.11Å; T560-L563 CarbonylContact O-C 3.56Å; T560-L563 WeakPolarHBondContact O-CA 3.4Å; T560-L563 PolarHBondContact O-N 3.38Å; T560-D564 PolarHBondContact O-N 2.98Å; T560-D564 VanDerWaalsContact O-N 3.12Å; T560-I623 HydrophobicContact CG2-CG2 4.37Å; T560-A624 HydrophobicContact CG2-CB 4.48Å; T560-W724 VanDerWaalsContact CG2-CD1 3.46Å; T560-W724 HydrophobicContact CG2-CG 4.34Å
561	H	93.2	Very high	93.3	Very high	11 Å²	11	7 Å²	7	5%	0.051	4%	0.038	C	C	.	.	H	α-helix	trans	-57.9	-24.2	172.1	-76.9	-56.6	0	0	0	113.8	Y519 Y521 H557 E558 L559 L563 D564 G567 S620 E621	Y519-H561 HydrophobicContact CD1-CB 3.69Å; Y519-H561 HydrophobicContact CE1-CB 4.45Å; Y519-H561 HydrophobicContact CG-CB 3.81Å; Y521-H561 HydrophobicContact CE1-CB 4.38Å; Y521-H561 VanDerWaalsContact CE1-O 3.26Å; Y521-H561 WeakPolarHBondContact CE1-O 3.4Å; H557-H561 AromaticContact CD2-CD2 3.87Å; H557-H561 AromaticContact CD2-NE2 3.5Å; H557-H561 PolarHBondContact CD2-NE2 3.45Å; H557-H561 AromaticContact CE1-NE2 3.98Å; H557-H561 AromaticContact NE2-CD2 3.91Å; H557-H561 AromaticContact NE2-CE1 3.92Å; H557-H561 AromaticContact NE2-NE2 3.07Å; H557-H561 PolarHBondContact NE2-NE2 3.14Å; H557-H561 PolarHBondContact O-N 2.91Å; H557-H561 VanDerWaalsContact O-N 3.17Å; E558-H561 IonicContact OE2-CD2 2.68Å; L559-H561 VanDerWaalsContact C-N 3.3Å; L559-H561 PolarHBondContact O-N 3.21Å; H561-L563 PolarHBondContact O-N 3.22Å; H561-D564 WeakPolarHBondContact CA-OD2 3.2Å; H561-D564 IonicContact CE1-OD2 2.57Å; H561-D564 IonicContact CG-OD2 2.75Å; H561-D564 IonicContact ND1-OD2 2.66Å; H561-D564 PolarHBondContact ND1-OD2 3.42Å; H561-G567 WeakPolarHBondContact O-CA 3.44Å; H561-S620 PolarHBondContact ND1-OG 3.26Å; H561-E621 IonicContact CE1-OE1 3.66Å; H561-E621 PolarHBondContact CE1-OE1 3.28Å; H561-E621 IonicContact NE2-OE1 2.75Å; H561-E621 PolarHBondContact NE2-OE1 2.93Å
562	A	93.2	Very high	93.2	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.1	170.5	0	0	0	0	0	113.3	K437 M441 Y519 L559 T560 G567	K437-A562 HydrophobicContact CD-CB 4.48Å; K437-A562 WeakPolarHBondContact CD-O 3.23Å; K437-A562 VanDerWaalsContact CE-O 3.25Å; K437-A562 WeakPolarHBondContact CE-O 3.36Å; K437-A562 PolarHBondContact NZ-O 2.85Å; M441-A562 HydrophobicContact CE-CB 3.37Å; Y519-A562 HydrophobicContact CE1-CB 4.3Å; Y519-A562 HydrophobicContact CE2-CB 3.87Å; Y519-A562 WeakPolarHBondContact OH-CA 3.43Å; Y519-A562 VanDerWaalsContact OH-CB 3.24Å; Y519-A562 WeakPolarHBondContact OH-CB 3.39Å; L559-A562 WeakPolarHBondContact O-CB 3.32Å; L559-A562 PolarHBondContact O-N 2.86Å; L559-A562 VanDerWaalsContact O-N 3.14Å; T560-A562 PolarHBondContact O-N 2.72Å; T560-A562 VanDerWaalsContact O-N 3.11Å; A562-G567 CarbonylContact O-C 3.57Å
563	L	93.4	Very high	93	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.4	13.4	-169.6	-52.9	174.5	0	0	0	112.9	F416 T434 I438 T560 H561 W580 W724	F416-L563 HydrophobicContact CD1-CD1 3.94Å; F416-L563 HydrophobicContact CE1-CD1 3.72Å; T434-L563 HydrophobicContact CG2-CD1 3.9Å; T434-L563 HydrophobicContact CG2-CD2 3.67Å; T434-L563 HydrophobicContact CG2-CG 4.48Å; I438-L563 HydrophobicContact CD1-CD1 4.16Å; I438-L563 HydrophobicContact CG1-CD1 4.49Å; T560-L563 CarbonylContact O-C 3.56Å; T560-L563 WeakPolarHBondContact O-CA 3.4Å; T560-L563 PolarHBondContact O-N 3.38Å; H561-L563 PolarHBondContact O-N 3.22Å; L563-W580 HydrophobicContact CD2-CZ2 4.34Å; L563-W724 HydrophobicContact CB-CH2 4.11Å; L563-W724 HydrophobicContact CB-CZ2 3.52Å; L563-W724 HydrophobicContact CD1-CH2 4.36Å; L563-W724 HydrophobicContact CD1-CZ2 4.44Å; L563-W724 HydrophobicContact CD1-CZ3 4.43Å; L563-W724 WeakPolarHBondContact O-CZ2 3.39Å; L563-W724 PolarHBondContact O-NE1 2.56Å
564	D	90.6	Very high	92.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-72.5	-168.6	171.2	62.2	23.1	0	0	0	111.4	Y521 T560 H561 Y566 G567 S568 S620 I623	Y521-D564 PolarHBondContact OH-OD2 3.13Å; T560-D564 PolarHBondContact O-N 2.98Å; T560-D564 VanDerWaalsContact O-N 3.12Å; H561-D564 WeakPolarHBondContact CA-OD2 3.2Å; H561-D564 IonicContact CE1-OD2 2.57Å; H561-D564 IonicContact CG-OD2 2.75Å; H561-D564 IonicContact ND1-OD2 2.66Å; H561-D564 PolarHBondContact ND1-OD2 3.42Å; D564-Y566 VanDerWaalsContact C-N 3.32Å; D564-Y566 PolarHBondContact O-N 3.45Å; D564-Y566 PolarHBondContact OD1-N 2.82Å; D564-Y566 VanDerWaalsContact OD1-N 3.11Å; D564-G567 WeakPolarHBondContact OD1-CA 3.45Å; D564-G567 PolarHBondContact OD1-N 3.39Å; D564-S568 WeakPolarHBondContact O-CB 3.5Å; D564-S568 PolarHBondContact O-N 3.47Å; D564-S568 PolarHBondContact O-OG 3.26Å; D564-S568 VanDerWaalsContact O-OG 3.09Å; D564-S620 PolarHBondContact OD2-OG 2.91Å; D564-I623 HydrophobicContact CB-CB 4.3Å; D564-I623 HydrophobicContact CB-CD1 4.48Å; D564-I623 HydrophobicContact CB-CG2 4.07Å
565	D	85.3	Confident	92.5	Very high	14 Å²	14	13 Å²	13	8%	0.075	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-42.6	-180	56	-64.7	0	0	0	112.8	S568 S620 I623	D565-S568 PolarHBondContact O-OG 3.48Å; D565-S620 VanDerWaalsContact OD1-CA 3.29Å; D565-S620 WeakPolarHBondContact OD1-CA 3.38Å; D565-S620 WeakPolarHBondContact OD1-CB 3.46Å; D565-I623 HydrophobicContact CB-CD1 4.17Å
566	Y	83.4	Confident	92	Very high	30 Å²	30	15.7 Å²	15.7	12%	0.118	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-49.8	177.9	-176.9	-100.7	0	0	0	112.5	Y521 D564 S568 G569 V570	Y521-Y566 AromaticContact CD1-CD1 3.59Å; Y521-Y566 HydrophobicContact CD1-CD1 3.59Å; Y521-Y566 HydrophobicContact CD1-CE1 4.06Å; Y521-Y566 AromaticContact CD2-CD1 3.82Å; Y521-Y566 HydrophobicContact CD2-CD1 3.82Å; Y521-Y566 AromaticContact CD2-CE1 3.86Å; Y521-Y566 HydrophobicContact CD2-CE1 3.86Å; Y521-Y566 AromaticContact CE1-CD1 3.72Å; Y521-Y566 HydrophobicContact CE1-CD1 3.72Å; Y521-Y566 AromaticContact CE2-CD1 3.96Å; Y521-Y566 HydrophobicContact CE2-CD1 3.96Å; Y521-Y566 HydrophobicContact CE2-CE1 4.41Å; Y521-Y566 AromaticContact CG-CD1 3.64Å; Y521-Y566 HydrophobicContact CG-CD1 3.64Å; Y521-Y566 AromaticContact CG-CE1 3.68Å; Y521-Y566 HydrophobicContact CG-CE1 3.68Å; Y521-Y566 AromaticContact CZ-CD1 3.91Å; D564-Y566 VanDerWaalsContact C-N 3.32Å; D564-Y566 PolarHBondContact O-N 3.45Å; D564-Y566 PolarHBondContact OD1-N 2.82Å; D564-Y566 VanDerWaalsContact OD1-N 3.11Å; Y566-S568 VanDerWaalsContact C-N 3.27Å; Y566-S568 PolarHBondContact O-N 3.32Å; Y566-G569 WeakPolarHBondContact O-CA 3.21Å; Y566-G569 PolarHBondContact O-N 2.92Å; Y566-V570 HydrophobicContact CD1-CG2 4.45Å; Y566-V570 HydrophobicContact CE1-CG2 4.07Å
567	G	88.2	Confident	91.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-58.9	-33.3	-178.4	0	0	0	0	0	113.2	K437 H561 A562 D564 G569 V570	K437-G567 PolarHBondContact NZ-O 3.46Å; H561-G567 WeakPolarHBondContact O-CA 3.44Å; A562-G567 CarbonylContact O-C 3.57Å; D564-G567 WeakPolarHBondContact OD1-CA 3.45Å; D564-G567 PolarHBondContact OD1-N 3.39Å; G567-G569 PolarHBondContact O-N 3.24Å; G567-G569 VanDerWaalsContact O-N 3.15Å; G567-V570 PolarHBondContact O-N 3.45Å
568	S	90	Very high	90.8	Very high	14 Å²	14	23.1 Å²	23.1	10%	0.098	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-58.6	-26.1	173.6	69.1	0	0	0	0	113.5	D564 D565 Y566 V570	D564-S568 WeakPolarHBondContact O-CB 3.5Å; D564-S568 PolarHBondContact O-N 3.47Å; D564-S568 PolarHBondContact O-OG 3.26Å; D564-S568 VanDerWaalsContact O-OG 3.09Å; D565-S568 PolarHBondContact O-OG 3.48Å; Y566-S568 VanDerWaalsContact C-N 3.27Å; Y566-S568 PolarHBondContact O-N 3.32Å; S568-V570 VanDerWaalsContact C-N 3.33Å
569	G	88.9	Confident	90.4	Very high	10 Å²	10	25.7 Å²	25.7	10%	0.103	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-79	-9.4	174.9	0	0	0	0	0	114.9	Y566 G567 N577 T578	Y566-G569 WeakPolarHBondContact O-CA 3.21Å; Y566-G569 PolarHBondContact O-N 2.92Å; G567-G569 PolarHBondContact O-N 3.24Å; G567-G569 VanDerWaalsContact O-N 3.15Å; G569-N577 CarbonylContact O-C 3.59Å; G569-N577 VanDerWaalsContact O-C 3.24Å; G569-N577 PolarHBondContact O-N 3.22Å; G569-T578 PolarHBondContact O-N 2.83Å
570	V	88.6	Confident	90.2	Very high	8 Å²	8	26.9 Å²	26.9	5%	0.048	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-105.2	132.2	-173.3	-179.6	0	0	0	0	111.3	K437 Y566 G567 S568 G574 N575 L576	K437-V570 WeakPolarHBondContact CD-O 3.38Å; K437-V570 VanDerWaalsContact CE-O 3.27Å; K437-V570 WeakPolarHBondContact CE-O 3.49Å; K437-V570 PolarHBondContact NZ-O 3.1Å; Y566-V570 HydrophobicContact CD1-CG2 4.45Å; Y566-V570 HydrophobicContact CE1-CG2 4.07Å; G567-V570 PolarHBondContact O-N 3.45Å; S568-V570 VanDerWaalsContact C-N 3.33Å; V570-G574 VanDerWaalsContact CG1-C 3.44Å; V570-N575 CarbonylContact C-O 3.46Å; V570-N575 WeakPolarHBondContact CA-O 3.24Å; V570-L576 HydrophobicContact CG2-CD1 4.45Å
571	D	93.9	Very high	90.2	Very high	17 Å²	17	28.6 Å²	28.6	9%	0.091	16%	0.161	C	C	.	.			trans	-77.9	175.5	-179.6	77.6	21.3	0	0	0	113.9	N573 G574 N575 N577 L579	D571-N573 PolarHBondContact O-N 2.75Å; D571-N573 VanDerWaalsContact O-N 3.09Å; D571-N573 WeakPolarHBondContact OD1-CA 3.28Å; D571-N573 WeakPolarHBondContact OD1-CB 3.5Å; D571-N573 PolarHBondContact OD1-N 3.35Å; D571-G574 PolarHBondContact O-N 3.49Å; D571-G574 PolarHBondContact OD1-N 2.93Å; D571-N575 PolarHBondContact N-O 3.32Å; D571-N575 PolarHBondContact OD1-N 3.42Å; D571-N575 PolarHBondContact OD1-ND2 2.57Å; D571-N575 PolarHBondContact OD2-ND2 3.41Å; D571-N577 HydrophobicContact CB-CB 4.33Å; D571-N577 PolarHBondContact OD2-ND2 2.72Å; D571-L579 HydrophobicContact CB-CD1 3.87Å; D571-L579 HydrophobicContact CB-CG 4.4Å
572	A	95.6	Very high	90.2	Very high	20 Å²	20	35.6 Å²	35.6	17%	0.165	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.9	-178.2	0	0	0	0	0	114.7	K437 A440 N524	K437-A572 HydrophobicContact CB-CB 4.33Å; A440-A572 HydrophobicContact CB-CB 3.96Å; N524-A572 PolarHBondContact ND2-O 2.93Å
573	N	94.1	Very high	90.4	Very high	97 Å²	97	38.2 Å²	38.2	52%	0.519	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.5	177.7	-59.7	-63.1	0	0	0	112.4	S147 D571	S147-N573 PolarHBondContact OG-O 3.04Å; D571-N573 PolarHBondContact O-N 2.75Å; D571-N573 VanDerWaalsContact O-N 3.09Å; D571-N573 WeakPolarHBondContact OD1-CA 3.28Å; D571-N573 WeakPolarHBondContact OD1-CB 3.5Å; D571-N573 PolarHBondContact OD1-N 3.35Å
574	G	91.2	Very high	90.5	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	90.3	19.6	-177.3	0	0	0	0	0	114.3	S147 Y521 S522 V570 D571	S147-G574 WeakPolarHBondContact CB-O 3.38Å; Y521-G574 VanDerWaalsContact O-CA 3.27Å; Y521-G574 WeakPolarHBondContact O-CA 3.41Å; S522-G574 WeakPolarHBondContact CA-O 3.5Å; V570-G574 VanDerWaalsContact CG1-C 3.44Å; D571-G574 PolarHBondContact O-N 3.49Å; D571-G574 PolarHBondContact OD1-N 2.93Å
575	N	91.8	Very high	90.7	Very high	24 Å²	24	40 Å²	40	13%	0.128	22%	0.223	C	C	.	.			trans	-97.1	137.3	175	-47.8	-73.9	0	0	0	111.2	E144 N146 S147 V570 D571 N577	E144-N575 CarbonylContact O-C 3.46Å; E144-N575 VanDerWaalsContact O-CA 3.27Å; E144-N575 WeakPolarHBondContact O-CA 3.42Å; N146-N575 WeakPolarHBondContact CA-OD1 3.3Å; N146-N575 PolarHBondContact N-OD1 3.39Å; S147-N575 PolarHBondContact N-OD1 3.14Å; S147-N575 PolarHBondContact OG-OD1 2.6Å; V570-N575 CarbonylContact C-O 3.46Å; V570-N575 WeakPolarHBondContact CA-O 3.24Å; D571-N575 PolarHBondContact N-O 3.32Å; D571-N575 PolarHBondContact OD1-N 3.42Å; D571-N575 PolarHBondContact OD1-ND2 2.57Å; D571-N575 PolarHBondContact OD2-ND2 3.41Å; N575-N577 PolarHBondContact O-N 2.69Å
576	L	87.5	Confident	91.2	Very high	58 Å²	58	45.2 Å²	45.2	30%	0.304	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-61.1	99.5	167	-173.5	68.4	0	0	0	109.6	E144 K145 V570	E144-L576 HydrophobicContact CB-CB 4.39Å; E144-L576 PolarHBondContact O-N 3.38Å; K145-L576 HydrophobicContact CG-CB 4.42Å; V570-L576 HydrophobicContact CG2-CD1 4.45Å
577	N	89.3	Confident	91.8	Very high	79 Å²	79	47.4 Å²	47.4	42%	0.422	26%	0.257	S	S	.	.			trans	-163.2	89.4	-171.9	178.2	27.4	0	0	0	108.1	G569 D571 N575 L579	G569-N577 CarbonylContact O-C 3.59Å; G569-N577 VanDerWaalsContact O-C 3.24Å; G569-N577 PolarHBondContact O-N 3.22Å; D571-N577 HydrophobicContact CB-CB 4.33Å; D571-N577 PolarHBondContact OD2-ND2 2.72Å; N575-N577 PolarHBondContact O-N 2.69Å; N577-L579 WeakPolarHBondContact O-CG 3.13Å; N577-L579 PolarHBondContact O-N 3.16Å; N577-L579 VanDerWaalsContact O-N 3.08Å
578	T	81.5	Confident	92.1	Very high	90 Å²	90	47.5 Å²	47.5	55%	0.552	26%	0.258	S	S	*	.			trans	-60.8	114.1	-177.9	-48.1	0	0	0	0	110.8	G569 W580	G569-T578 PolarHBondContact O-N 2.83Å; T578-W580 HydrophobicContact CG2-CB 4.38Å
579	L	86.8	Confident	92.3	Very high	64 Å²	64	50.2 Å²	50.2	34%	0.335	27%	0.266	S	S	.	.			trans	-102.7	-1.5	177.4	-61.5	-178.2	0	0	0	113.1	R433 D571 N577	R433-L579 HydrophobicContact CB-CB 4.29Å; R433-L579 HydrophobicContact CG-CB 4.03Å; D571-L579 HydrophobicContact CB-CD1 3.87Å; D571-L579 HydrophobicContact CB-CG 4.4Å; N577-L579 WeakPolarHBondContact O-CG 3.13Å; N577-L579 PolarHBondContact O-N 3.16Å; N577-L579 VanDerWaalsContact O-N 3.08Å
580	W	91.8	Very high	92.6	Very high	26 Å²	26	57 Å²	57	10%	0.098	30%	0.295	C	S	.	.	S	Bend	trans	-79	147.2	178.2	-73.1	21.1	0	0	0	111.3	W425 M426 T430 L563 T578 F588 W724	W425-W580 AromaticContact CH2-CH2 3.96Å; W425-W580 HydrophobicContact CH2-CH2 3.96Å; W425-W580 AromaticContact CH2-CZ3 3.83Å; W425-W580 HydrophobicContact CH2-CZ3 3.83Å; W425-W580 HydrophobicContact CZ3-CZ3 4.05Å; M426-W580 HydrophobicContact CE-CZ2 4.41Å; T430-W580 HydrophobicContact CG2-CB 3.85Å; T430-W580 HydrophobicContact CG2-CD2 3.65Å; T430-W580 HydrophobicContact CG2-CE3 4.31Å; T430-W580 HydrophobicContact CG2-CG 3.41Å; T430-W580 VanDerWaalsContact CG2-CG 3.41Å; L563-W580 HydrophobicContact CD2-CZ2 4.34Å; T578-W580 HydrophobicContact CG2-CB 4.38Å; W580-F588 HydrophobicContact CE3-CB 4.48Å; W580-F588 AromaticContact CH2-CD2 3.93Å; W580-F588 HydrophobicContact CH2-CD2 3.93Å; W580-F588 HydrophobicContact CH2-CE2 4.23Å; W580-F588 HydrophobicContact CH2-CG 4.33Å; W580-F588 HydrophobicContact CZ3-CB 3.77Å; W580-F588 HydrophobicContact CZ3-CD1 4.3Å; W580-F588 AromaticContact CZ3-CD2 3.71Å; W580-F588 HydrophobicContact CZ3-CD2 3.71Å; W580-F588 HydrophobicContact CZ3-CE2 4.36Å; W580-F588 AromaticContact CZ3-CG 3.66Å; W580-F588 HydrophobicContact CZ3-CG 3.66Å; W580-W724 AromaticContact CH2-CH2 3.47Å; W580-W724 HydrophobicContact CH2-CH2 3.47Å; W580-W724 VanDerWaalsContact CH2-CH2 3.47Å; W580-W724 AromaticContact CH2-CZ2 3.66Å; W580-W724 HydrophobicContact CH2-CZ2 3.66Å; W580-W724 AromaticContact CZ2-CH2 3.84Å; W580-W724 HydrophobicContact CZ2-CH2 3.84Å; W580-W724 HydrophobicContact CZ2-CZ2 4.25Å; W580-W724 HydrophobicContact CZ3-CH2 4.49Å
581	S	95.1	Very high	92.9	Very high	36 Å²	36	59.7 Å²	59.7	25%	0.252	31%	0.306	S	S	.	.			trans	-71.4	150	173	93.4	0	0	0	0	110.6	D427 T430 S583 S584 T585	D427-S581 VanDerWaalsContact OD2-CB 3.23Å; D427-S581 WeakPolarHBondContact OD2-CB 3.45Å; D427-S581 PolarHBondContact OD2-OG 3.04Å; T430-S581 PolarHBondContact OG1-N 3.38Å; S581-S583 PolarHBondContact O-N 3.37Å; S581-S583 VanDerWaalsContact O-N 3.15Å; S581-S583 PolarHBondContact OG-N 3.05Å; S581-S584 PolarHBondContact O-N 2.93Å; S581-S584 PolarHBondContact OG-N 3.41Å; S581-T585 PolarHBondContact O-N 2.94Å; S581-T585 PolarHBondContact O-OG1 2.99Å
582	E	94.1	Very high	92.9	Very high	157 Å²	157	59.1 Å²	59.1	73%	0.734	30%	0.304	S	S	*	.	H	α-helix	trans	-50.3	-41	175	-172.9	178.1	-170.5	0	0	111.9	S584 T585 E586	E582-S584 PolarHBondContact O-N 2.98Å; E582-T585 PolarHBondContact O-N 3.35Å; E582-E586 WeakPolarHBondContact O-CB 3.49Å; E582-E586 WeakPolarHBondContact O-CG 3.47Å; E582-E586 PolarHBondContact O-N 3.31Å
583	S	96.4	Very high	92.9	Very high	56 Å²	56	63 Å²	63	39%	0.392	32%	0.317	S	S	.	.	H	α-helix	trans	-69.1	-34.2	178.8	179.2	0	0	0	0	113.5	S581 K587	S581-S583 PolarHBondContact O-N 3.37Å; S581-S583 VanDerWaalsContact O-N 3.15Å; S581-S583 PolarHBondContact OG-N 3.05Å; S583-K587 WeakPolarHBondContact O-CG 3.49Å; S583-K587 PolarHBondContact O-N 3.46Å
584	S	96.5	Very high	93	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-73.9	-40.4	176.5	-72.2	0	0	0	0	110.3	W425 M426 D427 T430 S581 E582 K587 F588	W425-S584 WeakPolarHBondContact CZ3-O 3.28Å; M426-S584 WeakPolarHBondContact CA-OG 3.35Å; D427-S584 PolarHBondContact N-OG 2.84Å; D427-S584 VanDerWaalsContact N-OG 3.11Å; D427-S584 PolarHBondContact OD2-OG 2.9Å; T430-S584 PolarHBondContact OG1-OG 3.17Å; S581-S584 PolarHBondContact O-N 2.93Å; S581-S584 PolarHBondContact OG-N 3.41Å; E582-S584 PolarHBondContact O-N 2.98Å; S584-K587 PolarHBondContact O-N 2.94Å; S584-F588 WeakPolarHBondContact O-CB 3.4Å; S584-F588 PolarHBondContact O-N 2.79Å
585	T	94.3	Very high	93.1	Very high	37 Å²	37	60.6 Å²	60.6	23%	0.227	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-47.6	174.6	-58.8	0	0	0	0	112.1	S581 E582 K587 F588 Y589	S581-T585 PolarHBondContact O-N 2.94Å; S581-T585 PolarHBondContact O-OG1 2.99Å; E582-T585 PolarHBondContact O-N 3.35Å; T585-K587 VanDerWaalsContact C-N 3.32Å; T585-K587 PolarHBondContact O-N 3.14Å; T585-F588 WeakPolarHBondContact O-CB 3.13Å; T585-F588 PolarHBondContact O-N 3.3Å; T585-Y589 HydrophobicContact CG2-CD2 3.81Å; T585-Y589 HydrophobicContact CG2-CE2 3.62Å; T585-Y589 VanDerWaalsContact O-CD2 3.31Å; T585-Y589 WeakPolarHBondContact O-CD2 3.17Å; T585-Y589 PolarHBondContact O-N 3.04Å
586	E	95.7	Very high	93.3	Very high	125 Å²	125	60.2 Å²	60.2	58%	0.584	31%	0.306	S	S	*	.	H	α-helix	trans	-56.8	-45.5	176.6	-79	-178.8	163.6	0	0	111.9	E582 Y589 E590	E582-E586 WeakPolarHBondContact O-CB 3.49Å; E582-E586 WeakPolarHBondContact O-CG 3.47Å; E582-E586 PolarHBondContact O-N 3.31Å; E586-Y589 PolarHBondContact O-N 2.66Å; E586-E590 PolarHBondContact O-N 3.48Å
587	K	96.5	Very high	93.6	Very high	76 Å²	76	61.4 Å²	61.4	33%	0.33	31%	0.312	S	S	.	.	H	α-helix	trans	-70.4	-31.6	179	-71.7	174.8	-173.9	171.4	0	113.2	W425 S583 S584 T585 E590 K591	W425-K587 HydrophobicContact CB-CB 4.22Å; W425-K587 HydrophobicContact CB-CD 3.97Å; W425-K587 HydrophobicContact CE3-CB 4.15Å; W425-K587 WeakPolarHBondContact O-CD 3.34Å; W425-K587 PolarHBondContact O-NZ 3.2Å; S583-K587 WeakPolarHBondContact O-CG 3.49Å; S583-K587 PolarHBondContact O-N 3.46Å; S584-K587 PolarHBondContact O-N 2.94Å; T585-K587 VanDerWaalsContact C-N 3.32Å; T585-K587 PolarHBondContact O-N 3.14Å; K587-E590 PolarHBondContact O-N 3.28Å; K587-K591 WeakPolarHBondContact O-CG 3.22Å; K587-K591 PolarHBondContact O-N 3.27Å; K587-K591 VanDerWaalsContact O-N 3.14Å
588	F	95	Very high	93.9	Very high	1 Å²	1	58.1 Å²	58.1	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-53.3	172.3	173.3	-100	0	0	0	109.5	W425 W580 S584 T585 E590 K591 V592 I623 V723 W724	W425-F588 HydrophobicContact CH2-CB 3.96Å; W425-F588 AromaticContact CH2-CD2 3.76Å; W425-F588 HydrophobicContact CH2-CD2 3.76Å; W425-F588 HydrophobicContact CH2-CG 4.33Å; W425-F588 HydrophobicContact CZ2-CD2 4.34Å; W425-F588 HydrophobicContact CZ3-CB 3.71Å; W425-F588 HydrophobicContact CZ3-CD2 4.39Å; W580-F588 HydrophobicContact CE3-CB 4.48Å; W580-F588 AromaticContact CH2-CD2 3.93Å; W580-F588 HydrophobicContact CH2-CD2 3.93Å; W580-F588 HydrophobicContact CH2-CE2 4.23Å; W580-F588 HydrophobicContact CH2-CG 4.33Å; W580-F588 HydrophobicContact CZ3-CB 3.77Å; W580-F588 HydrophobicContact CZ3-CD1 4.3Å; W580-F588 AromaticContact CZ3-CD2 3.71Å; W580-F588 HydrophobicContact CZ3-CD2 3.71Å; W580-F588 HydrophobicContact CZ3-CE2 4.36Å; W580-F588 AromaticContact CZ3-CG 3.66Å; W580-F588 HydrophobicContact CZ3-CG 3.66Å; S584-F588 WeakPolarHBondContact O-CB 3.4Å; S584-F588 PolarHBondContact O-N 2.79Å; T585-F588 WeakPolarHBondContact O-CB 3.13Å; T585-F588 PolarHBondContact O-N 3.3Å; F588-E590 VanDerWaalsContact C-N 3.28Å; F588-E590 PolarHBondContact O-N 2.97Å; F588-K591 WeakPolarHBondContact O-CA 3.49Å; F588-K591 WeakPolarHBondContact O-CB 3.5Å; F588-K591 PolarHBondContact O-N 2.99Å; F588-V592 HydrophobicContact CD1-CG2 3.98Å; F588-V592 HydrophobicContact CD2-CG2 4.33Å; F588-V592 HydrophobicContact CE1-CG2 3.61Å; F588-V592 HydrophobicContact CE2-CG2 4.01Å; F588-V592 HydrophobicContact CG-CG2 4.32Å; F588-V592 HydrophobicContact CZ-CG2 3.63Å; F588-V592 WeakPolarHBondContact O-CG2 3.21Å; F588-V592 PolarHBondContact O-N 3.35Å; F588-I623 HydrophobicContact CZ-CD1 4.32Å; F588-V723 HydrophobicContact CD2-CG1 3.8Å; F588-V723 HydrophobicContact CE2-CG1 3.59Å; F588-W724 HydrophobicContact CD2-CZ2 4.03Å; F588-W724 AromaticContact CE2-CZ2 3.73Å; F588-W724 HydrophobicContact CE2-CZ2 3.73Å
589	Y	94.3	Very high	94.6	Very high	72 Å²	72	53.9 Å²	53.9	28%	0.282	27%	0.268	S	S	.	.	H	α-helix	trans	-64.5	-30.1	177.9	-74.3	-67.1	0	0	0	113.4	T585 E586 K591 V592 K593	T585-Y589 HydrophobicContact CG2-CD2 3.81Å; T585-Y589 HydrophobicContact CG2-CE2 3.62Å; T585-Y589 VanDerWaalsContact O-CD2 3.31Å; T585-Y589 WeakPolarHBondContact O-CD2 3.17Å; T585-Y589 PolarHBondContact O-N 3.04Å; E586-Y589 PolarHBondContact O-N 2.66Å; Y589-K591 VanDerWaalsContact C-N 3.28Å; Y589-K591 PolarHBondContact O-N 3.1Å; Y589-V592 PolarHBondContact O-N 3.18Å; Y589-K593 WeakPolarHBondContact O-CB 3.4Å; Y589-K593 PolarHBondContact O-N 3.22Å
590	E	95.6	Very high	95	Very high	151 Å²	151	53.9 Å²	53.9	71%	0.706	27%	0.269	S	S	*	.	H	α-helix	trans	-61.8	-36.9	171.5	-142.9	179.8	-161.7	0	0	111.9	E586 K587 F588	E586-E590 PolarHBondContact O-N 3.48Å; K587-E590 PolarHBondContact O-N 3.28Å; F588-E590 VanDerWaalsContact C-N 3.28Å; F588-E590 PolarHBondContact O-N 2.97Å
591	K	95	Very high	95.1	Very high	65 Å²	65	59 Å²	59	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-77.6	-42.1	177	-70.8	177.2	154.4	-65	0	112.6	W425 K587 F588 Y589 K593 C594 M595 V722 V723	W425-K591 HydrophobicContact CD2-CD 4.13Å; W425-K591 HydrophobicContact CG-CD 3.92Å; K587-K591 WeakPolarHBondContact O-CG 3.22Å; K587-K591 PolarHBondContact O-N 3.27Å; K587-K591 VanDerWaalsContact O-N 3.14Å; F588-K591 WeakPolarHBondContact O-CA 3.49Å; F588-K591 WeakPolarHBondContact O-CB 3.5Å; F588-K591 PolarHBondContact O-N 2.99Å; Y589-K591 VanDerWaalsContact C-N 3.28Å; Y589-K591 PolarHBondContact O-N 3.1Å; K591-K593 PolarHBondContact O-N 3.48Å; K591-C594 WeakPolarHBondContact O-CB 3.34Å; K591-C594 PolarHBondContact O-N 3.06Å; K591-M595 PolarHBondContact O-N 3.34Å; K591-V722 PolarHBondContact NZ-O 2.61Å; K591-V723 HydrophobicContact CB-CG2 4.05Å
592	V	93.8	Very high	95	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-40.5	173.3	171.1	0	0	0	0	109.9	F588 Y589 C594 M595 S596 L619 I623 V723	F588-V592 HydrophobicContact CD1-CG2 3.98Å; F588-V592 HydrophobicContact CD2-CG2 4.33Å; F588-V592 HydrophobicContact CE1-CG2 3.61Å; F588-V592 HydrophobicContact CE2-CG2 4.01Å; F588-V592 HydrophobicContact CG-CG2 4.32Å; F588-V592 HydrophobicContact CZ-CG2 3.63Å; F588-V592 WeakPolarHBondContact O-CG2 3.21Å; F588-V592 PolarHBondContact O-N 3.35Å; Y589-V592 PolarHBondContact O-N 3.18Å; V592-C594 VanDerWaalsContact C-N 3.34Å; V592-C594 PolarHBondContact O-N 3.31Å; V592-M595 WeakPolarHBondContact O-CA 3.39Å; V592-M595 WeakPolarHBondContact O-CB 2.97Å; V592-M595 PolarHBondContact O-N 2.95Å; V592-S596 PolarHBondContact O-N 2.93Å; V592-L619 HydrophobicContact CG1-CD1 3.63Å; V592-L619 HydrophobicContact CG1-CD2 3.7Å; V592-L619 HydrophobicContact CG1-CG 3.96Å; V592-I623 HydrophobicContact CG1-CD1 4.09Å; V592-I623 HydrophobicContact CG2-CD1 3.78Å; V592-I623 HydrophobicContact CG2-CG1 4.31Å; V592-V723 HydrophobicContact CG2-CG2 4.24Å
593	K	95.5	Very high	95	Very high	102 Å²	102	51.7 Å²	51.7	44%	0.443	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-39.2	177.4	-174.8	53.6	-177.8	145	0	113.5	Y589 K591 M595 S596 D597	Y589-K593 WeakPolarHBondContact O-CB 3.4Å; Y589-K593 PolarHBondContact O-N 3.22Å; K591-K593 PolarHBondContact O-N 3.48Å; K593-M595 VanDerWaalsContact C-N 3.26Å; K593-M595 PolarHBondContact O-N 3.03Å; K593-S596 PolarHBondContact NZ-OG 3.14Å; K593-S596 PolarHBondContact O-N 3.34Å; K593-D597 WeakPolarHBondContact CE-OD1 3.38Å; K593-D597 IonicContact NZ-OD1 3.06Å; K593-D597 PolarHBondContact NZ-OD1 3.26Å; K593-D597 WeakPolarHBondContact O-CB 3.08Å; K593-D597 VanDerWaalsContact O-CG 3.29Å; K593-D597 PolarHBondContact O-N 3.47Å
594	C	95.9	Very high	94.8	Very high	45 Å²	45	50.4 Å²	50.4	30%	0.304	25%	0.249	S	C	.	.	H	α-helix	trans	-57.1	-44.2	172.5	-171.7	0	0	0	0	111	K591 V592 Q598 C721	K591-C594 WeakPolarHBondContact O-CB 3.34Å; K591-C594 PolarHBondContact O-N 3.06Å; V592-C594 VanDerWaalsContact C-N 3.34Å; V592-C594 PolarHBondContact O-N 3.31Å; C594-Q598 WeakPolarHBondContact O-CB 3.18Å; C594-Q598 PolarHBondContact O-N 3.05Å; C594-C721 HydrophobicContact CB-CB 3.77Å; C594-C721 WeakPolarHBondContact CB-SG 3.2Å; C594-C721 PolarHBondContact O-SG 3.08Å; C594-C721 WeakPolarHBondContact SG-CA 3.41Å; C594-C721 WeakPolarHBondContact SG-CB 3.26Å; C594-C721 CovalentContact SG-SG 2.06Å; C594-C721 PolarHBondContact SG-SG 2.7Å
595	M	93.9	Very high	94.5	Very high	2 Å²	2	55 Å²	55	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-46	179.7	-169.7	171.7	-73.3	0	0	111.5	K591 V592 K593 D597 Q598 Y599 N622 I623 S626 C721 V723	K591-M595 PolarHBondContact O-N 3.34Å; V592-M595 WeakPolarHBondContact O-CA 3.39Å; V592-M595 WeakPolarHBondContact O-CB 2.97Å; V592-M595 PolarHBondContact O-N 2.95Å; K593-M595 VanDerWaalsContact C-N 3.26Å; K593-M595 PolarHBondContact O-N 3.03Å; M595-D597 PolarHBondContact O-N 3.05Å; M595-Q598 WeakPolarHBondContact O-CA 3.15Å; M595-Q598 WeakPolarHBondContact O-CB 3.48Å; M595-Q598 PolarHBondContact O-N 3.43Å; M595-Y599 HydrophobicContact CG-CD2 3.95Å; M595-Y599 HydrophobicContact CG-CE2 3.94Å; M595-Y599 WeakPolarHBondContact O-CD2 3.26Å; M595-Y599 PolarHBondContact O-N 3.44Å; M595-N622 HydrophobicContact CG-CB 4.3Å; M595-N622 HydrophobicContact SD-CB 3.95Å; M595-N622 VanDerWaalsContact SD-O 3.33Å; M595-I623 HydrophobicContact SD-CB 4.48Å; M595-I623 HydrophobicContact SD-CG1 3.98Å; M595-S626 WeakPolarHBondContact CE-OG 3.28Å; M595-C721 HydrophobicContact CB-CB 4.46Å; M595-V723 HydrophobicContact CE-CG2 3.84Å
596	S	94.3	Very high	94	Very high	17 Å²	17	53.3 Å²	53.3	12%	0.119	26%	0.263	C	S	.	.	H	α-helix	trans	-54.9	-52.1	174	149.8	0	0	0	0	111.1	V592 K593 Q598 Y599 D600 A615	V592-S596 PolarHBondContact O-N 2.93Å; K593-S596 PolarHBondContact NZ-OG 3.14Å; K593-S596 PolarHBondContact O-N 3.34Å; S596-Q598 PolarHBondContact O-N 3.36Å; S596-Q598 VanDerWaalsContact O-N 3.14Å; S596-Y599 PolarHBondContact O-N 3.31Å; S596-D600 PolarHBondContact O-N 2.93Å; S596-A615 WeakPolarHBondContact O-CB 3.39Å
597	D	95.6	Very high	93.6	Very high	82 Å²	82	53.6 Å²	53.6	44%	0.439	27%	0.268	S	S	.	.	H	α-helix	trans	-56.9	-34.4	176.8	-70.7	-23.2	0	0	0	112.5	K593 M595	K593-D597 WeakPolarHBondContact CE-OD1 3.38Å; K593-D597 IonicContact NZ-OD1 3.06Å; K593-D597 PolarHBondContact NZ-OD1 3.26Å; K593-D597 WeakPolarHBondContact O-CB 3.08Å; K593-D597 VanDerWaalsContact O-CG 3.29Å; K593-D597 PolarHBondContact O-N 3.47Å; M595-D597 PolarHBondContact O-N 3.05Å
598	Q	95.3	Very high	93.2	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-68.8	-40.9	177.3	157.2	176.3	-47	0	0	112.4	C594 M595 S596 Y602 G695 N699	C594-Q598 WeakPolarHBondContact O-CB 3.18Å; C594-Q598 PolarHBondContact O-N 3.05Å; M595-Q598 WeakPolarHBondContact O-CA 3.15Å; M595-Q598 WeakPolarHBondContact O-CB 3.48Å; M595-Q598 PolarHBondContact O-N 3.43Å; S596-Q598 PolarHBondContact O-N 3.36Å; S596-Q598 VanDerWaalsContact O-N 3.14Å; Q598-Y602 HydrophobicContact CG-CE2 4.09Å; Q598-Y602 PolarHBondContact NE2-OH 3.02Å; Q598-G695 PolarHBondContact NE2-O 3.23Å; Q598-N699 PolarHBondContact NE2-ND2 3.02Å; Q598-N699 PolarHBondContact OE1-ND2 2.96Å; Q598-N699 PolarHBondContact OE1-OD1 3.23Å
599	Y	95.3	Very high	92.8	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-80.9	-33.6	-174	-85	-98.5	0	0	0	111.8	M595 S596 D601 Y602 V613 N622 A687	M595-Y599 HydrophobicContact CG-CD2 3.95Å; M595-Y599 HydrophobicContact CG-CE2 3.94Å; M595-Y599 WeakPolarHBondContact O-CD2 3.26Å; M595-Y599 PolarHBondContact O-N 3.44Å; S596-Y599 PolarHBondContact O-N 3.31Å; Y599-D601 PolarHBondContact O-N 3.12Å; Y599-D601 VanDerWaalsContact O-N 3.11Å; Y599-Y602 AromaticContact CD1-CD2 3.66Å; Y599-Y602 HydrophobicContact CD1-CD2 3.66Å; Y599-Y602 AromaticContact CD1-CE2 3.7Å; Y599-Y602 HydrophobicContact CD1-CE2 3.7Å; Y599-Y602 HydrophobicContact CD2-CE2 4.26Å; Y599-Y602 HydrophobicContact CE1-CD2 4.25Å; Y599-Y602 AromaticContact CE1-CE2 3.98Å; Y599-Y602 HydrophobicContact CE1-CE2 3.98Å; Y599-Y602 AromaticContact CG-CD2 4Å; Y599-Y602 HydrophobicContact CG-CD2 4Å; Y599-Y602 AromaticContact CG-CE2 3.87Å; Y599-Y602 HydrophobicContact CG-CE2 3.87Å; Y599-Y602 WeakPolarHBondContact O-CB 3.48Å; Y599-Y602 PolarHBondContact O-N 3.41Å; Y599-V613 HydrophobicContact CD1-CG1 4.4Å; Y599-N622 WeakPolarHBondContact CD1-ND2 3.47Å; Y599-N622 WeakPolarHBondContact CD1-OD1 3.46Å; Y599-N622 HydrophobicContact CD2-CB 4.24Å; Y599-N622 HydrophobicContact CE1-CB 4.41Å; Y599-N622 WeakPolarHBondContact CE1-OD1 3.43Å; Y599-N622 HydrophobicContact CE2-CB 3.97Å; Y599-N622 VanDerWaalsContact CZ-OD1 3.28Å; Y599-A687 HydrophobicContact CD1-CB 3.89Å; Y599-A687 HydrophobicContact CE1-CB 3.78Å
600	D	94.8	Very high	92.5	Very high	64 Å²	64	65.7 Å²	65.7	34%	0.342	33%	0.334	S	S	.	.	H	α-helix	trans	-57.1	-27	171.2	-73	-20.9	0	0	0	112.7	S596 Y602 A615	S596-D600 PolarHBondContact O-N 2.93Å; D600-Y602 PolarHBondContact O-N 3.22Å; D600-A615 WeakPolarHBondContact OD1-CB 3.48Å; D600-A615 PolarHBondContact OD1-N 3.03Å
601	D	94.7	Very high	92.2	Very high	133 Å²	133	59.5 Å²	59.5	71%	0.711	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-4.6	177.4	-88.3	-11.9	0	0	0	113.3	Y599 C603	Y599-D601 PolarHBondContact O-N 3.12Å; Y599-D601 VanDerWaalsContact O-N 3.11Å; D601-C603 PolarHBondContact O-N 2.79Å
602	Y	93.4	Very high	92	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.02	31%	0.307	C	S	.	.			trans	-90.2	90	-179.5	-63	-38	0	0	0	112.5	I2 Q598 Y599 D600 C612 V613 D691 G695 R698	I2-Y602 HydrophobicContact CD1-CD1 4.13Å; I2-Y602 HydrophobicContact CD1-CE1 3.65Å; Q598-Y602 HydrophobicContact CG-CE2 4.09Å; Q598-Y602 PolarHBondContact NE2-OH 3.02Å; Y599-Y602 AromaticContact CD1-CD2 3.66Å; Y599-Y602 HydrophobicContact CD1-CD2 3.66Å; Y599-Y602 AromaticContact CD1-CE2 3.7Å; Y599-Y602 HydrophobicContact CD1-CE2 3.7Å; Y599-Y602 HydrophobicContact CD2-CE2 4.26Å; Y599-Y602 HydrophobicContact CE1-CD2 4.25Å; Y599-Y602 AromaticContact CE1-CE2 3.98Å; Y599-Y602 HydrophobicContact CE1-CE2 3.98Å; Y599-Y602 AromaticContact CG-CD2 4Å; Y599-Y602 HydrophobicContact CG-CD2 4Å; Y599-Y602 AromaticContact CG-CE2 3.87Å; Y599-Y602 HydrophobicContact CG-CE2 3.87Å; Y599-Y602 WeakPolarHBondContact O-CB 3.48Å; Y599-Y602 PolarHBondContact O-N 3.41Å; D600-Y602 PolarHBondContact O-N 3.22Å; Y602-C612 WeakPolarHBondContact O-CA 3.28Å; Y602-V613 PolarHBondContact O-N 2.86Å; Y602-D691 HydrophobicContact CD2-CB 3.83Å; Y602-D691 HydrophobicContact CE2-CB 4.21Å; Y602-D691 HydrophobicContact CG-CB 4.31Å; Y602-G695 VanDerWaalsContact OH-CA 3.29Å; Y602-G695 WeakPolarHBondContact OH-CA 3.22Å; Y602-R698 VanDerWaalsContact OH-CD 3.27Å; Y602-R698 WeakPolarHBondContact OH-CD 3.43Å; Y602-R698 PolarHBondContact OH-NH1 2.96Å
603	C	93.6	Very high	91.9	Very high	34 Å²	34	58.7 Å²	58.7	23%	0.23	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	153.1	178.7	-48.9	0	0	0	0	114.6	D601 E610 F611 C612	D601-C603 PolarHBondContact O-N 2.79Å; C603-E610 HydrophobicContact CB-CG 3.68Å; C603-E610 VanDerWaalsContact CB-OE1 3.29Å; C603-E610 WeakPolarHBondContact CB-OE1 3.27Å; C603-F611 CarbonylContact C-O 3.53Å; C603-F611 VanDerWaalsContact CA-O 3.29Å; C603-F611 WeakPolarHBondContact CA-O 3.43Å; C603-C612 HydrophobicContact CB-CB 4.04Å; C603-C612 WeakPolarHBondContact CB-SG 3.3Å; C603-C612 WeakPolarHBondContact SG-CB 3.34Å; C603-C612 CovalentContact SG-SG 2.04Å; C603-C612 PolarHBondContact SG-SG 3.5Å
604	Y	91.2	Very high	91.6	Very high	29 Å²	29	57.2 Å²	57.2	11%	0.114	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.9	-178.2	-65.8	-98	0	0	0	108.9	E610 F611 L677 L681 P688 R690 D691	Y604-E610 WeakPolarHBondContact O-CA 3.38Å; Y604-F611 PolarHBondContact N-O 3.47Å; Y604-F611 PolarHBondContact O-N 2.92Å; Y604-L677 HydrophobicContact CD1-CD2 3.58Å; Y604-L677 HydrophobicContact CE1-CD1 4.38Å; Y604-L677 HydrophobicContact CE1-CD2 3.95Å; Y604-L677 HydrophobicContact CG-CD2 4.02Å; Y604-L681 HydrophobicContact CD2-CD1 3.93Å; Y604-L681 HydrophobicContact CD2-CD2 4.35Å; Y604-L681 HydrophobicContact CE2-CD2 4.35Å; Y604-L681 HydrophobicContact CG-CD1 4.38Å; Y604-P688 HydrophobicContact CE2-CG 4.09Å; Y604-R690 VanDerWaalsContact CE1-CZ 3.46Å; Y604-R690 PolarHBondContact OH-NE 3.01Å; Y604-R690 PolarHBondContact OH-NH2 3.1Å; Y604-D691 WeakPolarHBondContact CE2-OD2 3.37Å; Y604-D691 VanDerWaalsContact CZ-OD2 3.31Å; Y604-D691 PolarHBondContact OH-OD2 3.3Å
605	I	90.3	Very high	91.2	Very high	96 Å²	96	55 Å²	55	49%	0.492	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112.9	174.3	-54.9	-58.8	0	0	0	107.9	E609 E610	I605-E609 CarbonylContact C-O 3.44Å; I605-E609 VanDerWaalsContact CA-O 3.24Å; I605-E609 WeakPolarHBondContact CA-O 3.45Å; I605-E610 HydrophobicContact CD1-CB 3.73Å; I605-E610 HydrophobicContact CD1-CG 3.89Å
606	I	84.8	Confident	90.7	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.015	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.9	-178.2	-56.3	173.3	0	0	0	107.1	D608 E609 F611 D674 L677 M678	I606-D608 PolarHBondContact O-N 2.85Å; I606-D608 VanDerWaalsContact O-N 3.11Å; I606-E609 PolarHBondContact N-O 3.33Å; I606-E609 PolarHBondContact O-N 3.34Å; I606-F611 HydrophobicContact CB-CD2 3.87Å; I606-F611 HydrophobicContact CB-CE2 3.96Å; I606-F611 HydrophobicContact CD1-CD2 4.15Å; I606-F611 HydrophobicContact CG1-CD2 4.25Å; I606-D674 HydrophobicContact CG2-CB 3.73Å; I606-L677 HydrophobicContact CD1-CB 4.37Å; I606-L677 HydrophobicContact CD1-CD2 3.83Å; I606-L677 HydrophobicContact CD1-CG 3.98Å; I606-M678 HydrophobicContact CB-CG 4.45Å; I606-M678 HydrophobicContact CB-SD 4.35Å; I606-M678 HydrophobicContact CD1-CG 3.57Å; I606-M678 HydrophobicContact CG2-CG 4.07Å; I606-M678 HydrophobicContact CG2-SD 3.55Å; I606-M678 VanDerWaalsContact CG2-SD 3.55Å
607	N	86.3	Confident	89.9	Confident	131 Å²	131	61.8 Å²	61.8	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	37.3	-177.2	-62.7	-36.5	0	0	0	115.3	E609	N607-E609 PolarHBondContact O-N 3Å
608	D	87.8	Confident	89.4	Confident	162 Å²	162	58.2 Å²	58.2	87%	0.866	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	7.9	-175.4	-62.2	-48	0	0	0	115.6	I606	I606-D608 PolarHBondContact O-N 2.85Å; I606-D608 VanDerWaalsContact O-N 3.11Å
609	E	87.3	Confident	89	Confident	109 Å²	109	58.2 Å²	58.2	51%	0.509	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	155.7	173.5	-64.8	-174.2	168.2	0	0	111.3	I605 I606 N607 F611	I605-E609 CarbonylContact C-O 3.44Å; I605-E609 VanDerWaalsContact CA-O 3.24Å; I605-E609 WeakPolarHBondContact CA-O 3.45Å; I606-E609 PolarHBondContact N-O 3.33Å; I606-E609 PolarHBondContact O-N 3.34Å; N607-E609 PolarHBondContact O-N 3Å; E609-F611 HydrophobicContact CB-CE2 3.75Å; E609-F611 HydrophobicContact CB-CZ 4.29Å
610	E	89	Confident	88.7	Confident	131 Å²	131	58.3 Å²	58.3	61%	0.612	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.8	-176	-175.3	165.4	-143.1	0	0	110.1	C603 Y604 I605	C603-E610 HydrophobicContact CB-CG 3.68Å; C603-E610 VanDerWaalsContact CB-OE1 3.29Å; C603-E610 WeakPolarHBondContact CB-OE1 3.27Å; Y604-E610 WeakPolarHBondContact O-CA 3.38Å; I605-E610 HydrophobicContact CD1-CB 3.73Å; I605-E610 HydrophobicContact CD1-CG 3.89Å
611	F	88.8	Confident	88.5	Confident	21 Å²	21	55.6 Å²	55.6	9%	0.092	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127	175.5	-62.1	-96.7	0	0	0	108.1	C357 C603 Y604 I606 E609 M678 L681	C357-F611 VanDerWaalsContact SG-CZ 3.53Å; C603-F611 CarbonylContact C-O 3.53Å; C603-F611 VanDerWaalsContact CA-O 3.29Å; C603-F611 WeakPolarHBondContact CA-O 3.43Å; Y604-F611 PolarHBondContact N-O 3.47Å; Y604-F611 PolarHBondContact O-N 2.92Å; I606-F611 HydrophobicContact CB-CD2 3.87Å; I606-F611 HydrophobicContact CB-CE2 3.96Å; I606-F611 HydrophobicContact CD1-CD2 4.15Å; I606-F611 HydrophobicContact CG1-CD2 4.25Å; E609-F611 HydrophobicContact CB-CE2 3.75Å; E609-F611 HydrophobicContact CB-CZ 4.29Å; F611-M678 HydrophobicContact CD1-CG 4.38Å; F611-M678 HydrophobicContact CD2-CG 4.47Å; F611-M678 HydrophobicContact CE1-CE 3.83Å; F611-M678 HydrophobicContact CE1-CG 4.29Å; F611-M678 HydrophobicContact CE2-CE 4.31Å; F611-M678 HydrophobicContact CE2-CG 4.38Å; F611-M678 HydrophobicContact CE2-SD 4.33Å; F611-M678 HydrophobicContact CG-CG 4.48Å; F611-M678 HydrophobicContact CZ-CE 3.59Å; F611-M678 HydrophobicContact CZ-CG 4.31Å; F611-M678 HydrophobicContact CZ-SD 4.18Å; F611-L681 HydrophobicContact CB-CD1 3.65Å
612	C	90.8	Very high	88.5	Confident	51 Å²	51	49.3 Å²	49.3	35%	0.345	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.5	-178	-55.4	0	0	0	0	109.7	Y602 C603 D614	Y602-C612 WeakPolarHBondContact O-CA 3.28Å; C603-C612 HydrophobicContact CB-CB 4.04Å; C603-C612 WeakPolarHBondContact CB-SG 3.3Å; C603-C612 WeakPolarHBondContact SG-CB 3.34Å; C603-C612 CovalentContact SG-SG 2.04Å; C603-C612 PolarHBondContact SG-SG 3.5Å; C612-D614 PolarHBondContact O-N 3.47Å
613	V	91.6	Very high	88.5	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.024	25%	0.254	C	S	.	.			trans	-60.6	130.4	167.7	175.1	0	0	0	0	108.4	Y599 Y602 A615 T618 L681 A687 P688	Y599-V613 HydrophobicContact CD1-CG1 4.4Å; Y602-V613 PolarHBondContact O-N 2.86Å; V613-A615 PolarHBondContact O-N 2.91Å; V613-T618 HydrophobicContact CG1-CG2 4.05Å; V613-T618 WeakPolarHBondContact CG1-OG1 3.23Å; V613-L681 HydrophobicContact CB-CD2 4.41Å; V613-L681 HydrophobicContact CG2-CD2 3.7Å; V613-A687 HydrophobicContact CG1-CB 4.21Å; V613-P688 HydrophobicContact CG2-CG 4.19Å
614	D	88.1	Confident	88.6	Confident	70 Å²	70	47.5 Å²	47.5	37%	0.374	24%	0.243	S	C	.	.			trans	-82.6	108	166	-162.4	-44	0	0	0	108.8	C612 E616 D617 T618	C612-D614 PolarHBondContact O-N 3.47Å; D614-E616 PolarHBondContact O-N 3.27Å; D614-E616 WeakPolarHBondContact OD1-CA 3.32Å; D614-E616 VanDerWaalsContact OD1-CB 3.23Å; D614-E616 WeakPolarHBondContact OD1-CB 3.37Å; D614-E616 PolarHBondContact OD1-N 2.7Å; D614-D617 HydrophobicContact CB-CB 4.24Å; D614-D617 PolarHBondContact OD1-N 3.27Å; D614-T618 WeakPolarHBondContact O-CB 3.3Å; D614-T618 WeakPolarHBondContact O-CG2 3.05Å; D614-T618 PolarHBondContact O-N 3.11Å; D614-T618 PolarHBondContact O-OG1 2.91Å
615	A	89.4	Confident	88.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.7	-178.2	0	0	0	0	0	113.6	S596 D600 V613 T618 L619	S596-A615 WeakPolarHBondContact O-CB 3.39Å; D600-A615 WeakPolarHBondContact OD1-CB 3.48Å; D600-A615 PolarHBondContact OD1-N 3.03Å; V613-A615 PolarHBondContact O-N 2.91Å; A615-T618 WeakPolarHBondContact CA-OG1 3.41Å; A615-L619 WeakPolarHBondContact O-CA 3.48Å; A615-L619 VanDerWaalsContact O-CB 3.27Å; A615-L619 WeakPolarHBondContact O-CB 3.35Å; A615-L619 PolarHBondContact O-N 3.17Å
616	E	82.6	Confident	88.9	Confident	79 Å²	79	41.8 Å²	41.8	37%	0.369	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-49.1	170.9	-166.9	174	151.2	0	0	110	F365 D614 L619	F365-E616 WeakPolarHBondContact CB-OE1 3.32Å; D614-E616 PolarHBondContact O-N 3.27Å; D614-E616 WeakPolarHBondContact OD1-CA 3.32Å; D614-E616 VanDerWaalsContact OD1-CB 3.23Å; D614-E616 WeakPolarHBondContact OD1-CB 3.37Å; D614-E616 PolarHBondContact OD1-N 2.7Å; E616-L619 WeakPolarHBondContact O-CB 3.46Å; E616-L619 PolarHBondContact O-N 2.75Å
617	D	76.6	Confident	89.3	Confident	82 Å²	82	41.7 Å²	41.7	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-39.9	177.3	-65.8	-26	0	0	0	111.4	D614 L619	D614-D617 HydrophobicContact CB-CB 4.24Å; D614-D617 PolarHBondContact OD1-N 3.27Å; D617-L619 VanDerWaalsContact C-N 3.3Å; D617-L619 PolarHBondContact O-N 2.77Å
618	T	85.7	Confident	89.7	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.037	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	8.5	-177.2	62.7	0	0	0	0	114.9	V613 D614 A615 S620 N622 E685 A687	V613-T618 HydrophobicContact CG1-CG2 4.05Å; V613-T618 WeakPolarHBondContact CG1-OG1 3.23Å; D614-T618 WeakPolarHBondContact O-CB 3.3Å; D614-T618 WeakPolarHBondContact O-CG2 3.05Å; D614-T618 PolarHBondContact O-N 3.11Å; D614-T618 PolarHBondContact O-OG1 2.91Å; A615-T618 WeakPolarHBondContact CA-OG1 3.41Å; T618-S620 PolarHBondContact O-N 3.09Å; T618-N622 WeakPolarHBondContact CB-ND2 3.29Å; T618-N622 VanDerWaalsContact O-CB 3.31Å; T618-N622 WeakPolarHBondContact O-CB 3.32Å; T618-N622 PolarHBondContact O-N 3Å; T618-N622 PolarHBondContact O-ND2 3.4Å; T618-N622 PolarHBondContact OG1-ND2 2.94Å; T618-E685 WeakPolarHBondContact CA-O 3.49Å; T618-E685 WeakPolarHBondContact CB-O 3.31Å; T618-E685 WeakPolarHBondContact CG2-O 3.34Å; T618-A687 HydrophobicContact CG2-CB 4.45Å
619	L	87.8	Confident	90.1	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.052	14%	0.142	C	C	.	.	H	α-helix	trans	-63.7	-50.2	-164.3	-168.9	58.4	0	0	0	113.8	A367 V592 A615 E616 D617 N622 I623	A367-L619 HydrophobicContact CB-CD2 3.54Å; V592-L619 HydrophobicContact CG1-CD1 3.63Å; V592-L619 HydrophobicContact CG1-CD2 3.7Å; V592-L619 HydrophobicContact CG1-CG 3.96Å; A615-L619 WeakPolarHBondContact O-CA 3.48Å; A615-L619 VanDerWaalsContact O-CB 3.27Å; A615-L619 WeakPolarHBondContact O-CB 3.35Å; A615-L619 PolarHBondContact O-N 3.17Å; E616-L619 WeakPolarHBondContact O-CB 3.46Å; E616-L619 PolarHBondContact O-N 2.75Å; D617-L619 VanDerWaalsContact C-N 3.3Å; D617-L619 PolarHBondContact O-N 2.77Å; L619-N622 PolarHBondContact O-N 3.07Å; L619-I623 HydrophobicContact CD1-CD1 4.41Å; L619-I623 HydrophobicContact CG-CD1 4.02Å; L619-I623 VanDerWaalsContact O-CG1 3.3Å; L619-I623 WeakPolarHBondContact O-CG1 3.44Å; L619-I623 PolarHBondContact O-N 2.98Å
620	S	87.3	Confident	90.4	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.028	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-50	-177.6	177.5	0	0	0	0	110.7	F371 H561 D564 D565 T618 N622 I623 A624	F371-S620 WeakPolarHBondContact CE2-OG 3.42Å; H561-S620 PolarHBondContact ND1-OG 3.26Å; D564-S620 PolarHBondContact OD2-OG 2.91Å; D565-S620 VanDerWaalsContact OD1-CA 3.29Å; D565-S620 WeakPolarHBondContact OD1-CA 3.38Å; D565-S620 WeakPolarHBondContact OD1-CB 3.46Å; T618-S620 PolarHBondContact O-N 3.09Å; S620-N622 VanDerWaalsContact C-N 3.34Å; S620-N622 PolarHBondContact O-N 2.94Å; S620-I623 WeakPolarHBondContact O-CB 3.41Å; S620-I623 PolarHBondContact O-N 3.31Å; S620-I623 VanDerWaalsContact O-N 3.14Å; S620-A624 WeakPolarHBondContact O-CB 3.04Å; S620-A624 PolarHBondContact O-N 3.03Å
621	E	92.2	Very high	90.7	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.037	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-41.9	177	-71	-55.4	127.3	0	0	112.6	H557 H561 I623 A624 D625 E685 H686 R692	H557-E621 IonicContact CE1-OE2 2.71Å; H557-E621 PolarHBondContact CE1-OE2 3.14Å; H557-E621 IonicContact NE2-OE1 3.55Å; H557-E621 IonicContact NE2-OE2 2.75Å; H557-E621 PolarHBondContact NE2-OE2 2.84Å; H561-E621 IonicContact CE1-OE1 3.66Å; H561-E621 PolarHBondContact CE1-OE1 3.28Å; H561-E621 IonicContact NE2-OE1 2.75Å; H561-E621 PolarHBondContact NE2-OE1 2.93Å; E621-I623 PolarHBondContact O-N 2.88Å; E621-A624 PolarHBondContact O-N 3.23Å; E621-D625 VanDerWaalsContact O-CB 3.26Å; E621-D625 WeakPolarHBondContact O-CB 3.38Å; E621-D625 PolarHBondContact O-N 3.14Å; E621-E685 WeakPolarHBondContact CB-O 3.49Å; E621-E685 HydrophobicContact CG-CB 4.47Å; E621-E685 HydrophobicContact CG-CG 4.09Å; E621-E685 WeakPolarHBondContact CG-O 3.48Å; E621-H686 VanDerWaalsContact CD-NE2 3.26Å; E621-H686 VanDerWaalsContact CG-CD2 3.42Å; E621-H686 WeakPolarHBondContact CG-CD2 3.49Å; E621-H686 IonicContact OE1-NE2 2.66Å; E621-H686 IonicContact OE2-CD2 2.7Å; E621-H686 PolarHBondContact OE2-CD2 3.12Å; E621-H686 IonicContact OE2-NE2 3.35Å; E621-H686 PolarHBondContact OE2-NE2 2.81Å; E621-H686 VanDerWaalsContact OE2-NE2 3.16Å; E621-R692 IonicContact OE2-NH2 3.67Å
622	N	93.4	Very high	91.1	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-65.3	-39.4	176.9	-68.9	-31.4	0	0	0	112	M595 Y599 T618 L619 S620 S626	M595-N622 HydrophobicContact CG-CB 4.3Å; M595-N622 HydrophobicContact SD-CB 3.95Å; M595-N622 VanDerWaalsContact SD-O 3.33Å; Y599-N622 WeakPolarHBondContact CD1-ND2 3.47Å; Y599-N622 WeakPolarHBondContact CD1-OD1 3.46Å; Y599-N622 HydrophobicContact CD2-CB 4.24Å; Y599-N622 HydrophobicContact CE1-CB 4.41Å; Y599-N622 WeakPolarHBondContact CE1-OD1 3.43Å; Y599-N622 HydrophobicContact CE2-CB 3.97Å; Y599-N622 VanDerWaalsContact CZ-OD1 3.28Å; T618-N622 WeakPolarHBondContact CB-ND2 3.29Å; T618-N622 VanDerWaalsContact O-CB 3.31Å; T618-N622 WeakPolarHBondContact O-CB 3.32Å; T618-N622 PolarHBondContact O-N 3Å; T618-N622 PolarHBondContact O-ND2 3.4Å; T618-N622 PolarHBondContact OG1-ND2 2.94Å; L619-N622 PolarHBondContact O-N 3.07Å; S620-N622 VanDerWaalsContact C-N 3.34Å; S620-N622 PolarHBondContact O-N 2.94Å; N622-S626 WeakPolarHBondContact O-CB 3.46Å; N622-S626 PolarHBondContact O-N 3.48Å
623	I	93.7	Very high	91.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-46.2	174.4	-65.9	163	0	0	0	109.6	T560 D564 D565 F588 V592 M595 L619 S620 E621 S626 G627 V723	T560-I623 HydrophobicContact CG2-CG2 4.37Å; D564-I623 HydrophobicContact CB-CB 4.3Å; D564-I623 HydrophobicContact CB-CD1 4.48Å; D564-I623 HydrophobicContact CB-CG2 4.07Å; D565-I623 HydrophobicContact CB-CD1 4.17Å; F588-I623 HydrophobicContact CZ-CD1 4.32Å; V592-I623 HydrophobicContact CG1-CD1 4.09Å; V592-I623 HydrophobicContact CG2-CD1 3.78Å; V592-I623 HydrophobicContact CG2-CG1 4.31Å; M595-I623 HydrophobicContact SD-CB 4.48Å; M595-I623 HydrophobicContact SD-CG1 3.98Å; L619-I623 HydrophobicContact CD1-CD1 4.41Å; L619-I623 HydrophobicContact CG-CD1 4.02Å; L619-I623 VanDerWaalsContact O-CG1 3.3Å; L619-I623 WeakPolarHBondContact O-CG1 3.44Å; L619-I623 PolarHBondContact O-N 2.98Å; S620-I623 WeakPolarHBondContact O-CB 3.41Å; S620-I623 PolarHBondContact O-N 3.31Å; S620-I623 VanDerWaalsContact O-N 3.14Å; E621-I623 PolarHBondContact O-N 2.88Å; I623-S626 PolarHBondContact O-N 3.34Å; I623-G627 PolarHBondContact O-N 2.88Å; I623-G627 VanDerWaalsContact O-N 3.07Å; I623-V723 HydrophobicContact CG2-CG1 4.48Å
624	A	95.3	Very high	91.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.1	-46	179.7	0	0	0	0	0	111.9	H557 T560 S620 E621 S626 G627 S628	H557-A624 WeakPolarHBondContact CE1-CB 3.19Å; H557-A624 WeakPolarHBondContact ND1-CB 3.43Å; T560-A624 HydrophobicContact CG2-CB 4.48Å; S620-A624 WeakPolarHBondContact O-CB 3.04Å; S620-A624 PolarHBondContact O-N 3.03Å; E621-A624 PolarHBondContact O-N 3.23Å; A624-S626 PolarHBondContact O-N 3.41Å; A624-G627 PolarHBondContact O-N 3.36Å; A624-S628 WeakPolarHBondContact O-CB 3.49Å; A624-S628 PolarHBondContact O-N 2.9Å
625	D	95.4	Very high	92.2	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-60.6	-41.5	174.4	-94.7	4.3	0	0	0	113.2	H557 E621 S628 R692 V696	H557-D625 IonicContact CE1-OD1 2.62Å; H557-D625 PolarHBondContact CE1-OD1 2.75Å; H557-D625 PolarHBondContact ND1-N 2.89Å; H557-D625 IonicContact ND1-OD1 3.34Å; H557-D625 PolarHBondContact ND1-OD1 3.2Å; E621-D625 VanDerWaalsContact O-CB 3.26Å; E621-D625 WeakPolarHBondContact O-CB 3.38Å; E621-D625 PolarHBondContact O-N 3.14Å; D625-S628 WeakPolarHBondContact O-CB 3.29Å; D625-S628 PolarHBondContact O-N 3.1Å; D625-S628 PolarHBondContact O-OG 3.39Å; D625-R692 IonicContact OD1-CZ 2.85Å; D625-R692 IonicContact OD1-NE 3.59Å; D625-R692 IonicContact OD1-NH2 3.54Å; D625-R692 PolarHBondContact OD1-NH2 2.77Å; D625-R692 VanDerWaalsContact OD2-CB 3.25Å; D625-R692 WeakPolarHBondContact OD2-CB 3.32Å; D625-R692 VanDerWaalsContact OD2-CG 3.27Å; D625-R692 WeakPolarHBondContact OD2-CG 3.45Å; D625-R692 IonicContact OD2-CZ 2.91Å; D625-R692 IonicContact OD2-NE 3.53Å; D625-R692 PolarHBondContact OD2-NE 3.3Å; D625-R692 IonicContact OD2-NH2 2.72Å; D625-R692 PolarHBondContact OD2-NH2 3.1Å; D625-V696 HydrophobicContact CB-CG2 3.71Å
626	S	92.5	Very high	92.6	Very high	5 Å²	5	13.3 Å²	13.3	4%	0.035	7%	0.066	C	C	.	.	H	α-helix	trans	-63.1	-43	176.8	-179.2	0	0	0	0	112	M595 N622 I623 A624 S628	M595-S626 WeakPolarHBondContact CE-OG 3.28Å; N622-S626 WeakPolarHBondContact O-CB 3.46Å; N622-S626 PolarHBondContact O-N 3.48Å; I623-S626 PolarHBondContact O-N 3.34Å; A624-S626 PolarHBondContact O-N 3.41Å; S626-S628 VanDerWaalsContact C-N 3.3Å
627	G	93.9	Very high	93.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-69.3	-29.7	175.8	0	0	0	0	0	112.8	I623 A624 V629 M630 G631	I623-G627 PolarHBondContact O-N 2.88Å; I623-G627 VanDerWaalsContact O-N 3.07Å; A624-G627 PolarHBondContact O-N 3.36Å; G627-V629 PolarHBondContact O-N 3.21Å; G627-M630 PolarHBondContact O-N 2.97Å; G627-G631 PolarHBondContact O-N 2.84Å
628	S	95.7	Very high	94.2	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.007	6%	0.055	C	C	.	.	H	α-helix	trans	-59.1	-49.7	-173.7	81	0	0	0	0	114	T553 S556 A624 D625 S626 S632	T553-S628 WeakPolarHBondContact O-CB 3.49Å; S556-S628 VanDerWaalsContact CB-O 3.29Å; S556-S628 WeakPolarHBondContact CB-O 3.38Å; S556-S628 PolarHBondContact OG-O 2.76Å; A624-S628 WeakPolarHBondContact O-CB 3.49Å; A624-S628 PolarHBondContact O-N 2.9Å; D625-S628 WeakPolarHBondContact O-CB 3.29Å; D625-S628 PolarHBondContact O-N 3.1Å; D625-S628 PolarHBondContact O-OG 3.39Å; S626-S628 VanDerWaalsContact C-N 3.3Å; S628-S632 VanDerWaalsContact O-CB 3.23Å; S628-S632 WeakPolarHBondContact O-CB 3.49Å; S628-S632 PolarHBondContact O-N 3.22Å
629	V	95.2	Very high	94.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-73.1	-40.3	-174.9	175.8	0	0	0	0	110.4	T553 G627 Y633 F660 F661 Y664 V696 L697 V700	T553-V629 HydrophobicContact CG2-CG2 4.31Å; G627-V629 PolarHBondContact O-N 3.21Å; V629-Y633 WeakPolarHBondContact O-CB 3.5Å; V629-Y633 PolarHBondContact O-N 2.9Å; V629-F660 HydrophobicContact CG1-CE1 4.2Å; V629-F661 HydrophobicContact CG1-CD1 4.49Å; V629-F661 HydrophobicContact CG1-CE1 4.01Å; V629-Y664 HydrophobicContact CG2-CD1 4Å; V629-Y664 HydrophobicContact CG2-CD2 3.78Å; V629-Y664 HydrophobicContact CG2-CE1 3.62Å; V629-Y664 HydrophobicContact CG2-CE2 3.35Å; V629-Y664 HydrophobicContact CG2-CG 4.06Å; V629-V696 HydrophobicContact CB-CG1 3.85Å; V629-V696 HydrophobicContact CG2-CG1 3.54Å; V629-L697 HydrophobicContact CG1-CD2 4.14Å; V629-V700 HydrophobicContact CB-CG2 4.46Å; V629-V700 HydrophobicContact CG1-CG2 4.07Å
630	M	93.6	Very high	95.1	Very high	32 Å²	32	12.2 Å²	12.2	16%	0.158	6%	0.059	C	C	.	.	H	α-helix	trans	-66.3	-49.1	178.9	-72.5	-60.3	-66.8	0	0	111.2	I419 G627 Y633 I634 V700	I419-M630 HydrophobicContact CD1-CB 3.9Å; G627-M630 PolarHBondContact O-N 2.97Å; M630-Y633 PolarHBondContact O-N 3.43Å; M630-I634 WeakPolarHBondContact O-CG1 3.44Å; M630-I634 PolarHBondContact O-N 3.36Å; M630-I634 VanDerWaalsContact O-N 3.08Å; M630-V700 HydrophobicContact CG-CG2 4.43Å; M630-V700 HydrophobicContact SD-CB 4.45Å; M630-V700 HydrophobicContact SD-CG1 3.82Å; M630-V700 HydrophobicContact SD-CG2 4.13Å
631	G	95.3	Very high	95.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.3	-48.6	179	0	0	0	0	0	111.7	G627 I634 A635	G627-G631 PolarHBondContact O-N 2.84Å; G631-I634 PolarHBondContact O-N 3.06Å; G631-A635 WeakPolarHBondContact O-CB 3.46Å; G631-A635 PolarHBondContact O-N 3.42Å
632	S	97.9	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67.3	-37.4	178.6	-170.3	0	0	0	0	114.1	F548 T553 S628 A635 Y636	F548-S632 PolarHBondContact O-OG 3.36Å; T553-S632 PolarHBondContact N-OG 3.34Å; S628-S632 VanDerWaalsContact O-CB 3.23Å; S628-S632 WeakPolarHBondContact O-CB 3.49Å; S628-S632 PolarHBondContact O-N 3.22Å; S632-A635 PolarHBondContact O-N 3.15Å; S632-Y636 VanDerWaalsContact O-CB 3.31Å; S632-Y636 WeakPolarHBondContact O-CB 3.26Å; S632-Y636 PolarHBondContact O-N 2.87Å
633	Y	97.5	Very high	95.2	Very high	29 Å²	29	32.4 Å²	32.4	11%	0.114	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-43.4	177	-178.3	-95	0	0	0	111.4	V629 M630 Y636 K637 E657 F660 F661 Q702	V629-Y633 WeakPolarHBondContact O-CB 3.5Å; V629-Y633 PolarHBondContact O-N 2.9Å; M630-Y633 PolarHBondContact O-N 3.43Å; Y633-Y636 HydrophobicContact CD2-CD1 4.45Å; Y633-Y636 WeakPolarHBondContact O-CB 3.49Å; Y633-Y636 PolarHBondContact O-N 3.41Å; Y633-K637 HydrophobicContact CD1-CG 4.14Å; Y633-K637 HydrophobicContact CE1-CD 4.24Å; Y633-K637 HydrophobicContact CE1-CG 3.69Å; Y633-K637 HydrophobicContact CE2-CD 4.31Å; Y633-K637 HydrophobicContact CE2-CG 4.46Å; Y633-K637 WeakPolarHBondContact O-CG 3.39Å; Y633-K637 PolarHBondContact O-N 2.93Å; Y633-E657 HydrophobicContact CE2-CB 4.38Å; Y633-E657 HydrophobicContact CE2-CG 4.18Å; Y633-F660 AromaticContact CD2-CD1 3.82Å; Y633-F660 HydrophobicContact CD2-CD1 3.82Å; Y633-F660 AromaticContact CD2-CE1 3.85Å; Y633-F660 HydrophobicContact CD2-CE1 3.85Å; Y633-F660 HydrophobicContact CD2-CG 4.27Å; Y633-F660 HydrophobicContact CD2-CZ 4.29Å; Y633-F660 HydrophobicContact CG-CE1 4.38Å; Y633-F661 HydrophobicContact CD2-CE2 4.3Å; Y633-F661 AromaticContact CD2-CZ 3.88Å; Y633-F661 HydrophobicContact CD2-CZ 3.88Å; Y633-F661 HydrophobicContact CE2-CE2 4.01Å; Y633-F661 AromaticContact CE2-CZ 3.97Å; Y633-F661 HydrophobicContact CE2-CZ 3.97Å; Y633-Q702 HydrophobicContact CD1-CB 4.37Å; Y633-Q702 HydrophobicContact CD1-CG 4.14Å; Y633-Q702 HydrophobicContact CE1-CB 3.94Å; Y633-Q702 HydrophobicContact CE1-CG 3.62Å
634	I	96.9	Very high	94.8	Very high	21 Å²	21	41.1 Å²	41.1	11%	0.108	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-46.3	176.6	-68.7	167	0	0	0	110.4	Q418 I419 M630 G631 Y636 K637 N638	Q418-I634 HydrophobicContact CB-CG2 4.39Å; Q418-I634 VanDerWaalsContact OE1-CG2 3.23Å; I419-I634 HydrophobicContact CD1-CD1 4.09Å; I419-I634 HydrophobicContact CG1-CD1 3.6Å; M630-I634 WeakPolarHBondContact O-CG1 3.44Å; M630-I634 PolarHBondContact O-N 3.36Å; M630-I634 VanDerWaalsContact O-N 3.08Å; G631-I634 PolarHBondContact O-N 3.06Å; I634-Y636 VanDerWaalsContact C-N 3.34Å; I634-Y636 PolarHBondContact O-N 3.39Å; I634-K637 PolarHBondContact O-N 2.65Å; I634-N638 PolarHBondContact O-N 3.43Å; I634-N638 PolarHBondContact O-ND2 2.94Å
635	A	97.8	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.6	-46	176.3	0	0	0	0	0	111.9	E411 L412 F548 G631 S632 K637 N638 F639	E411-A635 HydrophobicContact CB-CB 3.95Å; E411-A635 WeakPolarHBondContact O-CB 3.5Å; L412-A635 HydrophobicContact CD2-CB 3.71Å; L412-A635 HydrophobicContact CG-CB 4.2Å; F548-A635 HydrophobicContact CD1-CB 4.1Å; F548-A635 HydrophobicContact CE1-CB 3.72Å; G631-A635 WeakPolarHBondContact O-CB 3.46Å; G631-A635 PolarHBondContact O-N 3.42Å; S632-A635 PolarHBondContact O-N 3.15Å; A635-K637 PolarHBondContact O-N 2.66Å; A635-N638 PolarHBondContact O-N 3.12Å; A635-F639 WeakPolarHBondContact O-CB 3.33Å; A635-F639 PolarHBondContact O-N 3.4Å
636	Y	97.9	Very high	93.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-56	-50.7	173.4	162.7	-117	0	0	0	111.9	P544 A545 F548 S632 Y633 I634 N638 F639 V640 E645 M656 E657 F660	P544-Y636 HydrophobicContact CB-CD2 4.4Å; P544-Y636 HydrophobicContact CB-CE2 4.4Å; A545-Y636 HydrophobicContact CB-CD2 4.46Å; A545-Y636 HydrophobicContact CB-CE2 3.75Å; F548-Y636 HydrophobicContact CB-CD2 4.44Å; F548-Y636 HydrophobicContact CB-CG 4.35Å; F548-Y636 HydrophobicContact CD2-CD2 4.22Å; S632-Y636 VanDerWaalsContact O-CB 3.31Å; S632-Y636 WeakPolarHBondContact O-CB 3.26Å; S632-Y636 PolarHBondContact O-N 2.87Å; Y633-Y636 HydrophobicContact CD2-CD1 4.45Å; Y633-Y636 WeakPolarHBondContact O-CB 3.49Å; Y633-Y636 PolarHBondContact O-N 3.41Å; I634-Y636 VanDerWaalsContact C-N 3.34Å; I634-Y636 PolarHBondContact O-N 3.39Å; Y636-N638 VanDerWaalsContact C-N 3.28Å; Y636-N638 PolarHBondContact O-N 2.9Å; Y636-F639 PolarHBondContact O-N 3.02Å; Y636-V640 HydrophobicContact CD2-CG1 3.84Å; Y636-V640 HydrophobicContact CD2-CG2 4.39Å; Y636-V640 HydrophobicContact CE2-CB 4.32Å; Y636-V640 HydrophobicContact CE2-CG1 3.49Å; Y636-V640 VanDerWaalsContact CE2-CG1 3.49Å; Y636-V640 HydrophobicContact CE2-CG2 3.91Å; Y636-V640 WeakPolarHBondContact O-CG2 3.36Å; Y636-V640 PolarHBondContact O-N 3.18Å; Y636-E645 VanDerWaalsContact CE2-OE1 3.29Å; Y636-E645 WeakPolarHBondContact CE2-OE1 3.24Å; Y636-E645 VanDerWaalsContact OH-CD 3.24Å; Y636-E645 PolarHBondContact OH-OE1 3.47Å; Y636-E645 PolarHBondContact OH-OE2 3.02Å; Y636-M656 WeakPolarHBondContact OH-CB 3.24Å; Y636-E657 HydrophobicContact CE1-CG 4.48Å; Y636-F660 HydrophobicContact CD1-CD2 4.11Å; Y636-F660 HydrophobicContact CG-CD2 4.18Å
637	K	97	Very high	93.4	Very high	63 Å²	63	54.6 Å²	54.6	27%	0.274	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-36.5	-179.6	-67.2	-48.8	-61.4	175.3	0	112	Y633 I634 A635 K641 E657	Y633-K637 HydrophobicContact CD1-CG 4.14Å; Y633-K637 HydrophobicContact CE1-CD 4.24Å; Y633-K637 HydrophobicContact CE1-CG 3.69Å; Y633-K637 HydrophobicContact CE2-CD 4.31Å; Y633-K637 HydrophobicContact CE2-CG 4.46Å; Y633-K637 WeakPolarHBondContact O-CG 3.39Å; Y633-K637 PolarHBondContact O-N 2.93Å; I634-K637 PolarHBondContact O-N 2.65Å; A635-K637 PolarHBondContact O-N 2.66Å; K637-K641 WeakPolarHBondContact O-CB 3.38Å; K637-K641 PolarHBondContact O-N 2.75Å; K637-E657 IonicContact NZ-OE1 2.65Å; K637-E657 PolarHBondContact NZ-OE1 2.68Å
638	N	95.8	Very high	93	Very high	56 Å²	56	56.8 Å²	56.8	30%	0.299	27%	0.271	S	S	.	.	H	α-helix	trans	-66.7	-48.6	174.7	-72.8	-22.2	0	0	0	111.2	I634 A635 Y636 V640 K641	I634-N638 PolarHBondContact O-N 3.43Å; I634-N638 PolarHBondContact O-ND2 2.94Å; A635-N638 PolarHBondContact O-N 3.12Å; Y636-N638 VanDerWaalsContact C-N 3.28Å; Y636-N638 PolarHBondContact O-N 2.9Å; N638-V640 VanDerWaalsContact C-N 3.32Å; N638-V640 PolarHBondContact O-N 3.05Å; N638-K641 WeakPolarHBondContact O-CB 3.38Å; N638-K641 PolarHBondContact O-N 3.04Å
639	F	96.1	Very high	92.4	Very high	26 Å²	26	61.8 Å²	61.8	11%	0.114	30%	0.303	C	S	.	.	H	α-helix	trans	-58.2	-41.2	-179.5	-174	-98.2	0	0	0	112.9	E407 E411 P544 F548 A635 Y636 R643	E407-F639 HydrophobicContact CG-CE2 4.11Å; E407-F639 WeakPolarHBondContact OE1-CE2 3.36Å; E411-F639 HydrophobicContact CG-CB 4.24Å; E411-F639 HydrophobicContact CG-CD2 3.9Å; P544-F639 HydrophobicContact CB-CD1 3.92Å; P544-F639 HydrophobicContact CB-CE1 3.92Å; P544-F639 HydrophobicContact CG-CD1 4.2Å; P544-F639 HydrophobicContact CG-CE1 3.83Å; F548-F639 HydrophobicContact CE2-CB 3.82Å; F548-F639 AromaticContact CE2-CD1 3.76Å; F548-F639 HydrophobicContact CE2-CD1 3.76Å; F548-F639 HydrophobicContact CE2-CD2 4.19Å; F548-F639 HydrophobicContact CE2-CE1 4.33Å; F548-F639 AromaticContact CE2-CG 3.66Å; F548-F639 HydrophobicContact CE2-CG 3.66Å; F548-F639 HydrophobicContact CZ-CB 3.9Å; F548-F639 HydrophobicContact CZ-CD2 4.18Å; F548-F639 AromaticContact CZ-CG 3.97Å; F548-F639 HydrophobicContact CZ-CG 3.97Å; A635-F639 WeakPolarHBondContact O-CB 3.33Å; A635-F639 PolarHBondContact O-N 3.4Å; Y636-F639 PolarHBondContact O-N 3.02Å; F639-R643 VanDerWaalsContact CE2-NH2 3.29Å; F639-R643 VanDerWaalsContact CZ-CZ 3.42Å; F639-R643 VanDerWaalsContact CZ-NH1 3.32Å; F639-R643 WeakPolarHBondContact O-CD 3.21Å; F639-R643 WeakPolarHBondContact O-CG 3.16Å; F639-R643 PolarHBondContact O-NE 3.48Å
640	V	96	Very high	91.9	Very high	9 Å²	9	67.1 Å²	67.1	6%	0.055	34%	0.341	C	S	.	.	H	α-helix	trans	-91.7	-5.5	-177.2	-55.2	0	0	0	0	114.9	P544 Y636 N638 D642 R643 E645	P544-V640 HydrophobicContact CB-CG1 3.9Å; P544-V640 HydrophobicContact CG-CG1 4.2Å; Y636-V640 HydrophobicContact CD2-CG1 3.84Å; Y636-V640 HydrophobicContact CD2-CG2 4.39Å; Y636-V640 HydrophobicContact CE2-CB 4.32Å; Y636-V640 HydrophobicContact CE2-CG1 3.49Å; Y636-V640 VanDerWaalsContact CE2-CG1 3.49Å; Y636-V640 HydrophobicContact CE2-CG2 3.91Å; Y636-V640 WeakPolarHBondContact O-CG2 3.36Å; Y636-V640 PolarHBondContact O-N 3.18Å; N638-V640 VanDerWaalsContact C-N 3.32Å; N638-V640 PolarHBondContact O-N 3.05Å; V640-D642 PolarHBondContact O-N 3Å; V640-R643 PolarHBondContact O-N 3.41Å; V640-E645 HydrophobicContact CB-CG 4.09Å; V640-E645 HydrophobicContact CG1-CG 4.16Å
641	K	93.5	Very high	91.4	Very high	158 Å²	158	69.8 Å²	69.8	69%	0.687	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-40.9	-172.4	-176.4	178.6	178.1	179	0	114.4	K637 N638	K637-K641 WeakPolarHBondContact O-CB 3.38Å; K637-K641 PolarHBondContact O-N 2.75Å; N638-K641 WeakPolarHBondContact O-CB 3.38Å; N638-K641 PolarHBondContact O-N 3.04Å
642	D	90.2	Very high	90.6	Very high	157 Å²	157	76.3 Å²	76.3	84%	0.84	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	14.5	-179.3	-62	-52.7	0	0	0	112.6	V640	V640-D642 PolarHBondContact O-N 3Å
643	R	91.9	Very high	90	Very high	123 Å²	123	83.5 Å²	83.5	46%	0.464	42%	0.421	S	S	.	.	S	Bend	trans	-108.4	144.5	-179.7	-54.9	-172.5	-169.5	-138.8	2.8	110.2	E407 F639 V640	E407-R643 IonicContact OE1-CZ 3.49Å; E407-R643 IonicContact OE1-NH2 3.24Å; E407-R643 PolarHBondContact OE1-NH2 3.23Å; F639-R643 VanDerWaalsContact CE2-NH2 3.29Å; F639-R643 VanDerWaalsContact CZ-CZ 3.42Å; F639-R643 VanDerWaalsContact CZ-NH1 3.32Å; F639-R643 WeakPolarHBondContact O-CD 3.21Å; F639-R643 WeakPolarHBondContact O-CG 3.16Å; F639-R643 PolarHBondContact O-NE 3.48Å; V640-R643 PolarHBondContact O-N 3.41Å
644	Q	86	Confident	89.5	Confident	182 Å²	182	84.7 Å²	84.7	85%	0.85	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-83.4	119.8	171.4	-176.4	174.5	4.5	0	0	109.4
645	E	88	Confident	89.2	Confident	55 Å²	55	86.8 Å²	86.8	26%	0.257	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-87.4	136.1	174.9	-62.5	-174.7	96.3	0	0	111.4	Y636 V640 M656	Y636-E645 VanDerWaalsContact CE2-OE1 3.29Å; Y636-E645 WeakPolarHBondContact CE2-OE1 3.24Å; Y636-E645 VanDerWaalsContact OH-CD 3.24Å; Y636-E645 PolarHBondContact OH-OE1 3.47Å; Y636-E645 PolarHBondContact OH-OE2 3.02Å; V640-E645 HydrophobicContact CB-CG 4.09Å; V640-E645 HydrophobicContact CG1-CG 4.16Å; E645-M656 HydrophobicContact CB-CG 4.04Å; E645-M656 WeakPolarHBondContact OE1-CB 3.47Å
646	L	81.4	Confident	89	Confident	139 Å²	139	87 Å²	87	73%	0.728	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-92.4	125.1	172.5	-67.2	174	0	0	0	109.3
647	L	83.7	Confident	88.8	Confident	96 Å²	96	89 Å²	89	50%	0.503	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-69.8	143.2	173.8	-57.3	179.1	0	0	0	110.5	M656	L647-M656 HydrophobicContact CB-CE 4.44Å; L647-M656 HydrophobicContact CD2-CE 3.7Å; L647-M656 HydrophobicContact CD2-CG 4.22Å
648	L	85.8	Confident	88.6	Confident	46 Å²	46	88.4 Å²	88.4	24%	0.241	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-67.4	132.8	175.1	-69.1	174	0	0	0	110.5	P543 S650 F651 Q652 I659	P543-L648 HydrophobicContact CG-CD2 3.67Å; P543-L648 HydrophobicContact CG-CG 4.09Å; L648-S650 VanDerWaalsContact C-N 3.27Å; L648-S650 PolarHBondContact O-N 3.28Å; L648-S650 VanDerWaalsContact O-N 3.13Å; L648-F651 HydrophobicContact CB-CB 4.09Å; L648-F651 HydrophobicContact CB-CD2 4.09Å; L648-F651 HydrophobicContact CD1-CD2 4.15Å; L648-F651 CarbonylContact O-C 3.36Å; L648-F651 PolarHBondContact O-N 2.79Å; L648-Q652 PolarHBondContact O-N 3.35Å; L648-I659 HydrophobicContact CD1-CD1 4.05Å; L648-I659 HydrophobicContact CD1-CG1 4.23Å; L648-I659 HydrophobicContact CD1-CG2 4.14Å
649	P	83.8	Confident	88.5	Confident	105 Å²	105	86.2 Å²	86.2	68%	0.682	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-36.4	-172.8	-28.4	34.1	0	0	0	115.1	Q652	P649-Q652 WeakPolarHBondContact O-CG 3.32Å
650	S	84.2	Confident	88.5	Confident	112 Å²	112	85 Å²	85	78%	0.783	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.8	-179.3	-56.8	0	0	0	0	113.8	L648	L648-S650 VanDerWaalsContact C-N 3.27Å; L648-S650 PolarHBondContact O-N 3.28Å; L648-S650 VanDerWaalsContact O-N 3.13Å
651	F	81.9	Confident	88.5	Confident	89 Å²	89	84.5 Å²	84.5	39%	0.39	43%	0.428	S	S	.	.			trans	-125.7	37	-177.6	-62.6	-92.6	0	0	0	111.3	L648 D653 F654 I659	L648-F651 HydrophobicContact CB-CB 4.09Å; L648-F651 HydrophobicContact CB-CD2 4.09Å; L648-F651 HydrophobicContact CD1-CD2 4.15Å; L648-F651 CarbonylContact O-C 3.36Å; L648-F651 PolarHBondContact O-N 2.79Å; F651-D653 PolarHBondContact O-N 2.98Å; F651-D653 VanDerWaalsContact O-N 3.1Å; F651-F654 HydrophobicContact CB-CB 4.11Å; F651-F654 HydrophobicContact CB-CD2 4.11Å; F651-F654 HydrophobicContact CB-CG 4.28Å; F651-F654 AromaticContact CD1-CD2 3.91Å; F651-F654 HydrophobicContact CD1-CD2 3.91Å; F651-F654 HydrophobicContact CD1-CE2 4.1Å; F651-F654 HydrophobicContact CD1-CG 4.18Å; F651-F654 WeakPolarHBondContact O-CB 3.41Å; F651-F654 PolarHBondContact O-N 3.34Å; F651-I659 HydrophobicContact CB-CD1 4.1Å; F651-I659 HydrophobicContact CD1-CD1 4.37Å; F651-I659 HydrophobicContact CG-CD1 4.23Å
652	Q	80.3	Confident	88.4	Confident	136 Å²	136	78.5 Å²	78.5	64%	0.636	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.2	-179.5	-66.2	-173.9	6.2	0	0	113.4	L648 P649 F654	L648-Q652 PolarHBondContact O-N 3.35Å; P649-Q652 WeakPolarHBondContact O-CG 3.32Å; Q652-F654 VanDerWaalsContact C-N 3.29Å
653	D	83.9	Confident	88.6	Confident	151 Å²	151	71.6 Å²	71.6	81%	0.807	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.5	175.6	-61.6	-34.1	0	0	0	113.3	F651	F651-D653 PolarHBondContact O-N 2.98Å; F651-D653 VanDerWaalsContact O-N 3.1Å
654	F	86.9	Confident	88.8	Confident	54 Å²	54	65.8 Å²	65.8	24%	0.237	35%	0.346	C	S	.	.	S	Bend	trans	-105	132.9	177.8	-70	-114.5	0	0	0	109.4	F651 Q652 K658 I659 L662	F651-F654 HydrophobicContact CB-CB 4.11Å; F651-F654 HydrophobicContact CB-CD2 4.11Å; F651-F654 HydrophobicContact CB-CG 4.28Å; F651-F654 AromaticContact CD1-CD2 3.91Å; F651-F654 HydrophobicContact CD1-CD2 3.91Å; F651-F654 HydrophobicContact CD1-CE2 4.1Å; F651-F654 HydrophobicContact CD1-CG 4.18Å; F651-F654 WeakPolarHBondContact O-CB 3.41Å; F651-F654 PolarHBondContact O-N 3.34Å; Q652-F654 VanDerWaalsContact C-N 3.29Å; F654-K658 HydrophobicContact CB-CB 4.21Å; F654-K658 HydrophobicContact CB-CD 4.35Å; F654-K658 HydrophobicContact CD1-CB 3.8Å; F654-K658 HydrophobicContact CD1-CD 3.85Å; F654-K658 HydrophobicContact CD1-CG 4.47Å; F654-K658 HydrophobicContact CE1-CD 4.46Å; F654-K658 HydrophobicContact CG-CB 4.48Å; F654-K658 HydrophobicContact CG-CD 4.3Å; F654-I659 HydrophobicContact CB-CD1 3.94Å; F654-I659 HydrophobicContact CB-CG1 4.39Å; F654-I659 HydrophobicContact CD1-CD1 4.49Å; F654-I659 HydrophobicContact CG-CD1 4.43Å; F654-L662 HydrophobicContact CD1-CD1 3.73Å; F654-L662 HydrophobicContact CE1-CD1 3.69Å
655	T	91.2	Very high	89.2	Confident	66 Å²	66	57.1 Å²	57.1	41%	0.405	31%	0.305	S	S	.	.			trans	-72.9	160.6	166.7	72.8	0	0	0	0	109.2	E657 K658 I659	T655-E657 WeakPolarHBondContact CB-OE2 3.38Å; T655-E657 PolarHBondContact O-N 3.3Å; T655-E657 PolarHBondContact OG1-OE2 3.21Å; T655-K658 WeakPolarHBondContact O-CB 3.47Å; T655-K658 PolarHBondContact O-N 2.88Å; T655-K658 PolarHBondContact OG1-N 3.24Å; T655-I659 PolarHBondContact O-N 3.18Å; T655-I659 VanDerWaalsContact O-N 3.14Å
656	M	94	Very high	89.4	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.02	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-25.9	177.5	-67.8	-62.1	96.9	0	0	112.2	P543 A545 Y636 E645 L647 K658 I659 F660	P543-M656 HydrophobicContact CB-SD 4.2Å; A545-M656 HydrophobicContact CB-CB 4.08Å; A545-M656 VanDerWaalsContact CB-O 3.32Å; A545-M656 WeakPolarHBondContact CB-O 3.25Å; Y636-M656 WeakPolarHBondContact OH-CB 3.24Å; E645-M656 HydrophobicContact CB-CG 4.04Å; E645-M656 WeakPolarHBondContact OE1-CB 3.47Å; L647-M656 HydrophobicContact CB-CE 4.44Å; L647-M656 HydrophobicContact CD2-CE 3.7Å; L647-M656 HydrophobicContact CD2-CG 4.22Å; M656-K658 VanDerWaalsContact C-N 3.34Å; M656-K658 PolarHBondContact O-N 3.41Å; M656-I659 HydrophobicContact CE-CB 4.33Å; M656-I659 HydrophobicContact CE-CG1 3.5Å; M656-I659 CarbonylContact O-C 3.54Å; M656-I659 WeakPolarHBondContact O-CA 3.36Å; M656-I659 WeakPolarHBondContact O-CB 3.4Å; M656-I659 PolarHBondContact O-N 3.22Å; M656-I659 VanDerWaalsContact O-N 3.1Å; M656-I659 HydrophobicContact SD-CB 4.49Å; M656-I659 HydrophobicContact SD-CG1 4.26Å; M656-F660 PolarHBondContact O-N 3.2Å
657	E	94.2	Very high	89.9	Confident	43 Å²	43	51.5 Å²	51.5	20%	0.201	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-39	168.9	-60.6	82.3	177.8	0	0	112.2	Y633 Y636 K637 T655 I659 F660 F661 T706	Y633-E657 HydrophobicContact CE2-CB 4.38Å; Y633-E657 HydrophobicContact CE2-CG 4.18Å; Y636-E657 HydrophobicContact CE1-CG 4.48Å; K637-E657 IonicContact NZ-OE1 2.65Å; K637-E657 PolarHBondContact NZ-OE1 2.68Å; T655-E657 WeakPolarHBondContact CB-OE2 3.38Å; T655-E657 PolarHBondContact O-N 3.3Å; T655-E657 PolarHBondContact OG1-OE2 3.21Å; E657-I659 VanDerWaalsContact C-N 3.29Å; E657-I659 PolarHBondContact O-N 3.08Å; E657-F660 WeakPolarHBondContact O-CB 3.49Å; E657-F660 PolarHBondContact O-N 3.26Å; E657-F661 WeakPolarHBondContact O-CD2 3.34Å; E657-F661 PolarHBondContact O-N 3.33Å; E657-T706 HydrophobicContact CB-CG2 3.98Å
658	K	92.6	Very high	90.3	Very high	50 Å²	50	47.4 Å²	47.4	22%	0.217	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-38.4	172.5	-71.2	-178.4	174.6	-177.5	0	111.3	F654 T655 M656 F660 F661 L662 T706 F707	F654-K658 HydrophobicContact CB-CB 4.21Å; F654-K658 HydrophobicContact CB-CD 4.35Å; F654-K658 HydrophobicContact CD1-CB 3.8Å; F654-K658 HydrophobicContact CD1-CD 3.85Å; F654-K658 HydrophobicContact CD1-CG 4.47Å; F654-K658 HydrophobicContact CE1-CD 4.46Å; F654-K658 HydrophobicContact CG-CB 4.48Å; F654-K658 HydrophobicContact CG-CD 4.3Å; T655-K658 WeakPolarHBondContact O-CB 3.47Å; T655-K658 PolarHBondContact O-N 2.88Å; T655-K658 PolarHBondContact OG1-N 3.24Å; M656-K658 VanDerWaalsContact C-N 3.34Å; M656-K658 PolarHBondContact O-N 3.41Å; K658-F660 VanDerWaalsContact C-N 3.34Å; K658-F661 PolarHBondContact O-N 3.4Å; K658-L662 WeakPolarHBondContact O-CB 3.25Å; K658-L662 VanDerWaalsContact O-CG 3.25Å; K658-L662 WeakPolarHBondContact O-CG 3.39Å; K658-L662 PolarHBondContact O-N 3.1Å; K658-T706 HydrophobicContact CB-CG2 4.25Å; K658-T706 VanDerWaalsContact CE-O 3.27Å; K658-T706 WeakPolarHBondContact CE-O 3.38Å; K658-T706 HydrophobicContact CG-CG2 3.44Å; K658-T706 VanDerWaalsContact CG-CG2 3.44Å; K658-F707 HydrophobicContact CB-CE1 4.42Å; K658-F707 HydrophobicContact CB-CZ 4.05Å; K658-F707 HydrophobicContact CD-CE1 4.42Å; K658-F707 HydrophobicContact CG-CE1 4.14Å; K658-F707 HydrophobicContact CG-CE2 4.43Å; K658-F707 HydrophobicContact CG-CZ 4.03Å
659	I	93.3	Very high	90.6	Very high	9 Å²	9	45.3 Å²	45.3	5%	0.046	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-39.3	176.8	-61.7	-53.7	0	0	0	111.1	A545 V546 L648 F651 F654 T655 M656 E657 L662 S663	A545-I659 HydrophobicContact CB-CB 4.35Å; A545-I659 HydrophobicContact CB-CG2 4.27Å; V546-I659 HydrophobicContact CG2-CG2 3.63Å; L648-I659 HydrophobicContact CD1-CD1 4.05Å; L648-I659 HydrophobicContact CD1-CG1 4.23Å; L648-I659 HydrophobicContact CD1-CG2 4.14Å; F651-I659 HydrophobicContact CB-CD1 4.1Å; F651-I659 HydrophobicContact CD1-CD1 4.37Å; F651-I659 HydrophobicContact CG-CD1 4.23Å; F654-I659 HydrophobicContact CB-CD1 3.94Å; F654-I659 HydrophobicContact CB-CG1 4.39Å; F654-I659 HydrophobicContact CD1-CD1 4.49Å; F654-I659 HydrophobicContact CG-CD1 4.43Å; T655-I659 PolarHBondContact O-N 3.18Å; T655-I659 VanDerWaalsContact O-N 3.14Å; M656-I659 HydrophobicContact CE-CB 4.33Å; M656-I659 HydrophobicContact CE-CG1 3.5Å; M656-I659 CarbonylContact O-C 3.54Å; M656-I659 WeakPolarHBondContact O-CA 3.36Å; M656-I659 WeakPolarHBondContact O-CB 3.4Å; M656-I659 PolarHBondContact O-N 3.22Å; M656-I659 VanDerWaalsContact O-N 3.1Å; M656-I659 HydrophobicContact SD-CB 4.49Å; M656-I659 HydrophobicContact SD-CG1 4.26Å; E657-I659 VanDerWaalsContact C-N 3.29Å; E657-I659 PolarHBondContact O-N 3.08Å; I659-L662 HydrophobicContact CD1-CD1 4.37Å; I659-L662 PolarHBondContact O-N 3.27Å; I659-S663 WeakPolarHBondContact O-CB 3.49Å; I659-S663 PolarHBondContact O-N 3.05Å
660	F	95.6	Very high	90.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-54.7	-55.6	174.1	172.6	-83.1	0	0	0	111.6	A545 F548 T553 V629 Y633 Y636 M656 E657 K658 L662 S663 Y664	A545-F660 HydrophobicContact CB-CB 4.23Å; A545-F660 WeakPolarHBondContact O-CA 3.38Å; F548-F660 HydrophobicContact CB-CD2 4.09Å; F548-F660 HydrophobicContact CB-CE2 3.92Å; T553-F660 HydrophobicContact CG2-CZ 4.25Å; V629-F660 HydrophobicContact CG1-CE1 4.2Å; Y633-F660 AromaticContact CD2-CD1 3.82Å; Y633-F660 HydrophobicContact CD2-CD1 3.82Å; Y633-F660 AromaticContact CD2-CE1 3.85Å; Y633-F660 HydrophobicContact CD2-CE1 3.85Å; Y633-F660 HydrophobicContact CD2-CG 4.27Å; Y633-F660 HydrophobicContact CD2-CZ 4.29Å; Y633-F660 HydrophobicContact CG-CE1 4.38Å; Y636-F660 HydrophobicContact CD1-CD2 4.11Å; Y636-F660 HydrophobicContact CG-CD2 4.18Å; M656-F660 PolarHBondContact O-N 3.2Å; E657-F660 WeakPolarHBondContact O-CB 3.49Å; E657-F660 PolarHBondContact O-N 3.26Å; K658-F660 VanDerWaalsContact C-N 3.34Å; F660-L662 VanDerWaalsContact C-N 3.3Å; F660-L662 PolarHBondContact O-N 3.05Å; F660-S663 WeakPolarHBondContact O-CB 3.4Å; F660-S663 PolarHBondContact O-N 3.39Å; F660-S663 VanDerWaalsContact O-N 3.11Å; F660-Y664 PolarHBondContact O-N 3.17Å
661	F	95.3	Very high	90.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.7	-29.3	-178.4	-68.4	-63.4	0	0	0	113.2	P14 V629 Y633 E657 K658 G665 L697 V700 Q702 F703 T706 F707	P14-F661 WeakPolarHBondContact CB-O 3.34Å; P14-F661 HydrophobicContact CG-CB 4.41Å; V629-F661 HydrophobicContact CG1-CD1 4.49Å; V629-F661 HydrophobicContact CG1-CE1 4.01Å; Y633-F661 HydrophobicContact CD2-CE2 4.3Å; Y633-F661 AromaticContact CD2-CZ 3.88Å; Y633-F661 HydrophobicContact CD2-CZ 3.88Å; Y633-F661 HydrophobicContact CE2-CE2 4.01Å; Y633-F661 AromaticContact CE2-CZ 3.97Å; Y633-F661 HydrophobicContact CE2-CZ 3.97Å; E657-F661 WeakPolarHBondContact O-CD2 3.34Å; E657-F661 PolarHBondContact O-N 3.33Å; K658-F661 PolarHBondContact O-N 3.4Å; F661-G665 PolarHBondContact O-N 3.49Å; F661-L697 HydrophobicContact CD1-CD2 3.69Å; F661-L697 HydrophobicContact CE1-CD2 4.09Å; F661-V700 HydrophobicContact CE1-CG1 4.17Å; F661-V700 HydrophobicContact CZ-CG1 4.33Å; F661-Q702 HydrophobicContact CZ-CB 4.16Å; F661-F703 HydrophobicContact CB-CD2 4.12Å; F661-F703 HydrophobicContact CD1-CB 4.12Å; F661-F703 AromaticContact CD1-CD2 3.97Å; F661-F703 HydrophobicContact CD1-CD2 3.97Å; F661-F703 HydrophobicContact CD2-CD2 4.23Å; F661-F703 HydrophobicContact CE1-CB 3.77Å; F661-F703 HydrophobicContact CE1-CD2 4.48Å; F661-F703 HydrophobicContact CE2-CB 4.29Å; F661-F703 AromaticContact CG-CD2 3.85Å; F661-F703 HydrophobicContact CG-CD2 3.85Å; F661-F703 HydrophobicContact CZ-CB 3.88Å; F661-T706 HydrophobicContact CD2-CG2 4Å; F661-T706 HydrophobicContact CE2-CG2 4.18Å; F661-F707 HydrophobicContact CB-CE2 3.68Å; F661-F707 HydrophobicContact CB-CZ 4.2Å; F661-F707 AromaticContact CD2-CE2 3.88Å; F661-F707 HydrophobicContact CD2-CE2 3.88Å; F661-F707 HydrophobicContact CG-CE2 4.09Å
662	L	92.6	Very high	90.5	Very high	31 Å²	31	32.8 Å²	32.8	16%	0.162	17%	0.168	C	C	.	.	H	α-helix	trans	-71	-35.5	172.3	-73.6	173.6	0	0	0	112.2	F654 K658 I659 F660 Y664 G665 N666 F707	F654-L662 HydrophobicContact CD1-CD1 3.73Å; F654-L662 HydrophobicContact CE1-CD1 3.69Å; K658-L662 WeakPolarHBondContact O-CB 3.25Å; K658-L662 VanDerWaalsContact O-CG 3.25Å; K658-L662 WeakPolarHBondContact O-CG 3.39Å; K658-L662 PolarHBondContact O-N 3.1Å; I659-L662 HydrophobicContact CD1-CD1 4.37Å; I659-L662 PolarHBondContact O-N 3.27Å; F660-L662 VanDerWaalsContact C-N 3.3Å; F660-L662 PolarHBondContact O-N 3.05Å; L662-Y664 VanDerWaalsContact C-N 3.34Å; L662-G665 PolarHBondContact O-N 3.43Å; L662-N666 WeakPolarHBondContact O-CB 3.33Å; L662-N666 PolarHBondContact O-N 2.92Å; L662-N666 PolarHBondContact O-ND2 3.01Å; L662-F707 HydrophobicContact CG-CZ 4.47Å
663	S	94.2	Very high	90.4	Very high	13 Å²	13	27.2 Å²	27.2	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-46.1	174	-155.8	0	0	0	0	110.3	V546 G549 I659 F660 N666 L667	V546-S663 WeakPolarHBondContact CA-OG 3.31Å; V546-S663 PolarHBondContact O-OG 3.04Å; G549-S663 CarbonylContact O-C 3.49Å; I659-S663 WeakPolarHBondContact O-CB 3.49Å; I659-S663 PolarHBondContact O-N 3.05Å; F660-S663 WeakPolarHBondContact O-CB 3.4Å; F660-S663 PolarHBondContact O-N 3.39Å; F660-S663 VanDerWaalsContact O-N 3.11Å; S663-N666 PolarHBondContact O-N 3.4Å; S663-L667 PolarHBondContact O-N 3.22Å
664	Y	95.8	Very high	90.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-49.1	175.2	176.7	-106.9	0	0	0	112.2	G549 T553 V629 F660 L662 N666 L667 F668 R692 V693 L697	G549-Y664 WeakPolarHBondContact O-CA 3.42Å; G549-Y664 VanDerWaalsContact O-CB 3.24Å; G549-Y664 WeakPolarHBondContact O-CB 3.43Å; G549-Y664 PolarHBondContact O-N 3.4Å; T553-Y664 HydrophobicContact CG2-CD2 3.7Å; T553-Y664 HydrophobicContact CG2-CE2 4.27Å; V629-Y664 HydrophobicContact CG2-CD1 4Å; V629-Y664 HydrophobicContact CG2-CD2 3.78Å; V629-Y664 HydrophobicContact CG2-CE1 3.62Å; V629-Y664 HydrophobicContact CG2-CE2 3.35Å; V629-Y664 HydrophobicContact CG2-CG 4.06Å; F660-Y664 PolarHBondContact O-N 3.17Å; L662-Y664 VanDerWaalsContact C-N 3.34Å; Y664-N666 VanDerWaalsContact C-N 3.26Å; Y664-N666 PolarHBondContact O-N 3.26Å; Y664-L667 WeakPolarHBondContact O-CB 3.47Å; Y664-L667 PolarHBondContact O-N 3.28Å; Y664-F668 HydrophobicContact CD2-CD2 4.48Å; Y664-F668 AromaticContact CD2-CE2 3.96Å; Y664-F668 HydrophobicContact CD2-CE2 3.96Å; Y664-F668 HydrophobicContact CE2-CD2 4.16Å; Y664-F668 AromaticContact CE2-CE2 3.42Å; Y664-F668 HydrophobicContact CE2-CE2 3.42Å; Y664-F668 VanDerWaalsContact CE2-CE2 3.42Å; Y664-F668 HydrophobicContact CE2-CZ 4.35Å; Y664-F668 AromaticContact CZ-CE2 3.85Å; Y664-F668 WeakPolarHBondContact O-CD2 3.46Å; Y664-R692 PolarHBondContact OH-O 3.24Å; Y664-V693 HydrophobicContact CE1-CB 4.48Å; Y664-V693 HydrophobicContact CE1-CG1 4.35Å; Y664-V693 HydrophobicContact CE1-CG2 4.39Å; Y664-L697 HydrophobicContact CD1-CD1 4.09Å; Y664-L697 HydrophobicContact CD1-CD2 3.96Å; Y664-L697 HydrophobicContact CD1-CG 4.08Å; Y664-L697 HydrophobicContact CE1-CD1 4.26Å; Y664-L697 HydrophobicContact CE1-CD2 4.06Å; Y664-L697 HydrophobicContact CE1-CG 3.9Å
665	G	93.8	Very high	89.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-35.9	176.5	0	0	0	0	0	113.4	C18 F661 L662	C18-G665 PolarHBondContact SG-O 3.06Å; F661-G665 PolarHBondContact O-N 3.49Å; L662-G665 PolarHBondContact O-N 3.43Å
666	N	92	Very high	89	Confident	72 Å²	72	22.9 Å²	22.9	39%	0.385	12%	0.118	S	C	.	.	H	α-helix	trans	-73.5	-27.1	178.9	-72.7	-18.3	0	0	0	113.5	S17 T36 L662 S663 Y664 F668 C669	S17-N666 WeakPolarHBondContact CB-OD1 3.44Å; S17-N666 PolarHBondContact OG-OD1 3.35Å; T36-N666 PolarHBondContact OG1-O 3.08Å; L662-N666 WeakPolarHBondContact O-CB 3.33Å; L662-N666 PolarHBondContact O-N 2.92Å; L662-N666 PolarHBondContact O-ND2 3.01Å; S663-N666 PolarHBondContact O-N 3.4Å; Y664-N666 VanDerWaalsContact C-N 3.26Å; Y664-N666 PolarHBondContact O-N 3.26Å; N666-F668 PolarHBondContact O-N 3.22Å; N666-C669 PolarHBondContact O-N 3.01Å
667	L	92.3	Very high	88.4	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.026	12%	0.121	C	C	.	.	H	α-helix	trans	-55.9	-40.9	176.7	178.6	62	0	0	0	110.9	T36 F37 I537 I554 S663 Y664	T36-L667 WeakPolarHBondContact CB-O 3.45Å; T36-L667 PolarHBondContact OG1-O 3.28Å; F37-L667 HydrophobicContact CE1-CD1 4Å; F37-L667 HydrophobicContact CE2-CD1 4.1Å; F37-L667 HydrophobicContact CE2-CG 4.1Å; F37-L667 HydrophobicContact CZ-CD1 3.54Å; F37-L667 HydrophobicContact CZ-CD2 4.2Å; F37-L667 HydrophobicContact CZ-CG 3.73Å; I537-L667 HydrophobicContact CD1-CD1 4.14Å; I537-L667 HydrophobicContact CG1-CD1 3.83Å; I554-L667 HydrophobicContact CD1-CD1 4.07Å; I554-L667 HydrophobicContact CD1-CD2 4.01Å; I554-L667 HydrophobicContact CG1-CD2 3.76Å; S663-L667 PolarHBondContact O-N 3.22Å; Y664-L667 WeakPolarHBondContact O-CB 3.47Å; Y664-L667 PolarHBondContact O-N 3.28Å
668	F	91.8	Very high	87.8	Confident	9 Å²	9	22.6 Å²	22.6	4%	0.039	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	9.7	-174.8	-65.8	-77.9	0	0	0	113.8	W15 F37 Y664 N666 A670 M689 R692 V693	W15-F668 WeakPolarHBondContact CH2-O 3.46Å; W15-F668 HydrophobicContact CZ3-CB 4.07Å; W15-F668 WeakPolarHBondContact CZ3-O 3.34Å; F37-F668 HydrophobicContact CE2-CD1 4.28Å; F37-F668 HydrophobicContact CE2-CE1 4.34Å; Y664-F668 HydrophobicContact CD2-CD2 4.48Å; Y664-F668 AromaticContact CD2-CE2 3.96Å; Y664-F668 HydrophobicContact CD2-CE2 3.96Å; Y664-F668 HydrophobicContact CE2-CD2 4.16Å; Y664-F668 AromaticContact CE2-CE2 3.42Å; Y664-F668 HydrophobicContact CE2-CE2 3.42Å; Y664-F668 VanDerWaalsContact CE2-CE2 3.42Å; Y664-F668 HydrophobicContact CE2-CZ 4.35Å; Y664-F668 AromaticContact CZ-CE2 3.85Å; Y664-F668 WeakPolarHBondContact O-CD2 3.46Å; N666-F668 PolarHBondContact O-N 3.22Å; F668-A670 PolarHBondContact O-N 3.49Å; F668-A670 VanDerWaalsContact O-N 3.08Å; F668-M689 HydrophobicContact CB-CB 4.22Å; F668-M689 HydrophobicContact CD1-SD 3.57Å; F668-M689 VanDerWaalsContact CD1-SD 3.57Å; F668-M689 HydrophobicContact CE1-SD 4.31Å; F668-M689 VanDerWaalsContact O-CB 3.3Å; F668-M689 WeakPolarHBondContact O-CB 3.38Å; F668-R692 HydrophobicContact CD1-CB 4.29Å; F668-R692 HydrophobicContact CE1-CB 4.3Å; F668-V693 HydrophobicContact CB-CG2 3.48Å; F668-V693 VanDerWaalsContact CB-CG2 3.48Å; F668-V693 HydrophobicContact CD2-CG2 3.65Å; F668-V693 HydrophobicContact CG-CG2 3.83Å
669	C	92.1	Very high	86.8	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.014	12%	0.116	C	C	.	.			trans	-56.9	123.5	176.8	-68.4	0	0	0	0	111	C18 W21 S35 T36 N666	C18-C669 WeakPolarHBondContact CA-SG 3.5Å; C18-C669 HydrophobicContact CB-CB 3.77Å; C18-C669 WeakPolarHBondContact CB-SG 3.23Å; C18-C669 WeakPolarHBondContact SG-CA 3.32Å; C18-C669 WeakPolarHBondContact SG-CB 3.27Å; C18-C669 CovalentContact SG-SG 2.04Å; C18-C669 PolarHBondContact SG-SG 2.97Å; W21-C669 HydrophobicContact CB-CB 4.43Å; W21-C669 HydrophobicContact CD2-CB 3.66Å; W21-C669 HydrophobicContact CE3-CB 3.8Å; W21-C669 HydrophobicContact CG-CB 3.95Å; W21-C669 HydrophobicContact CZ3-CB 4.41Å; S35-C669 CarbonylContact C-O 3.52Å; S35-C669 VanDerWaalsContact CA-O 3.27Å; S35-C669 WeakPolarHBondContact CA-O 3.47Å; T36-C669 PolarHBondContact N-O 2.95Å; N666-C669 PolarHBondContact O-N 3.01Å
670	A	86.6	Confident	86.1	Confident	4 Å²	4	22.2 Å²	22.2	3%	0.033	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.6	-179.6	0	0	0	0	0	112.8	Y33 S34 F668 M689	Y33-A670 HydrophobicContact CE2-CB 4.25Å; S34-A670 CarbonylContact O-C 3.44Å; S34-A670 WeakPolarHBondContact O-CA 3.38Å; F668-A670 PolarHBondContact O-N 3.49Å; F668-A670 VanDerWaalsContact O-N 3.08Å; A670-M689 HydrophobicContact CB-CB 4.07Å; A670-M689 HydrophobicContact CB-CG 3.84Å
671	A	83.4	Confident	85.4	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122.2	172.6	0	0	0	0	0	107.3	W21 K22 S34	W21-A671 HydrophobicContact CZ3-CB 4.13Å; K22-A671 HydrophobicContact CG-CB 4.02Å; S34-A671 PolarHBondContact N-O 3.27Å; S34-A671 PolarHBondContact O-N 2.89Å
672	M	78.2	Confident	84.3	Confident	39 Å²	39	25.4 Å²	25.4	19%	0.192	14%	0.135	C	C	.	.			trans	-136	152.9	-175.8	60.6	-170	43.7	0	0	108.6	Y33 D676 L677 M680	Y33-M672 HydrophobicContact CD2-CB 4.01Å; Y33-M672 HydrophobicContact CD2-CE 4.04Å; Y33-M672 HydrophobicContact CE2-CE 3.75Å; M672-D676 HydrophobicContact CB-CB 4.12Å; M672-L677 HydrophobicContact CG-CB 4.16Å; M672-L677 HydrophobicContact SD-CB 3.72Å; M672-L677 HydrophobicContact SD-CD1 3.61Å; M672-L677 HydrophobicContact SD-CG 4.13Å; M672-M680 HydrophobicContact CE-CE 4.49Å; M672-M680 HydrophobicContact CE-SD 3.8Å
673	S	77.8	Confident	83.1	Confident	18 Å²	18	30 Å²	30	13%	0.126	15%	0.151	C	C	.	.			trans	-71	168.2	168.3	72.4	0	0	0	0	110.7	G30 E675 D676 L677	G30-S673 WeakPolarHBondContact O-CB 3.48Å; S673-E675 PolarHBondContact OG-N 3.05Å; S673-D676 WeakPolarHBondContact CB-OD2 3.46Å; S673-D676 PolarHBondContact N-OD2 3.41Å; S673-D676 PolarHBondContact OG-N 2.76Å; S673-D676 PolarHBondContact OG-OD2 3.23Å; S673-L677 WeakPolarHBondContact O-CB 3.48Å; S673-L677 PolarHBondContact O-N 3.29Å; S673-L677 VanDerWaalsContact O-N 3.14Å
674	D	81.8	Confident	82	Confident	96 Å²	96	31.8 Å²	31.8	51%	0.513	16%	0.159	S	C	.	.	H	α-helix	trans	-66.1	-32.5	173.9	-76.4	-2.9	0	0	0	110.7	I606 L677 M678	I606-D674 HydrophobicContact CG2-CB 3.73Å; D674-L677 PolarHBondContact O-N 3.35Å; D674-M678 WeakPolarHBondContact O-CG 3.43Å; D674-M678 PolarHBondContact O-N 2.92Å
675	E	74.9	Confident	81.1	Confident	60 Å²	60	33.1 Å²	33.1	28%	0.28	17%	0.166	S	C	.	.	H	α-helix	trans	-69	-49.2	176.4	-171.9	176.2	-159.2	0	0	111.5	R354 S673 L677 M678 D679	R354-E675 WeakPolarHBondContact CD-OE1 3.39Å; R354-E675 WeakPolarHBondContact CG-OE1 3.19Å; R354-E675 IonicContact CZ-OE1 3.93Å; R354-E675 VanDerWaalsContact CZ-OE1 3.27Å; R354-E675 IonicContact CZ-OE2 3.55Å; R354-E675 IonicContact NE-OE1 3.31Å; R354-E675 PolarHBondContact NE-OE1 3.15Å; R354-E675 IonicContact NH1-OE1 3.75Å; R354-E675 PolarHBondContact NH1-OE1 3.42Å; R354-E675 IonicContact NH1-OE2 3.57Å; R354-E675 PolarHBondContact NH1-OE2 3.23Å; S673-E675 PolarHBondContact OG-N 3.05Å; E675-L677 PolarHBondContact O-N 3.01Å; E675-M678 WeakPolarHBondContact O-CB 3.35Å; E675-M678 PolarHBondContact O-N 3.33Å; E675-D679 PolarHBondContact O-N 3.34Å
676	D	76.7	Confident	80.7	Confident	24 Å²	24	34.8 Å²	34.8	13%	0.128	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-30.2	175.3	-62	-57.8	0	0	0	112.2	M672 S673 M680	M672-D676 HydrophobicContact CB-CB 4.12Å; S673-D676 WeakPolarHBondContact CB-OD2 3.46Å; S673-D676 PolarHBondContact N-OD2 3.41Å; S673-D676 PolarHBondContact OG-N 2.76Å; S673-D676 PolarHBondContact OG-OD2 3.23Å; D676-M680 WeakPolarHBondContact O-CB 3.35Å; D676-M680 PolarHBondContact O-N 3.46Å
677	L	82.3	Confident	80.7	Confident	13 Å²	13	31.4 Å²	31.4	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-74.2	-37.4	176.1	175.1	60.6	0	0	0	111.6	Y604 I606 M672 S673 D674 E675 L681 P688	Y604-L677 HydrophobicContact CD1-CD2 3.58Å; Y604-L677 HydrophobicContact CE1-CD1 4.38Å; Y604-L677 HydrophobicContact CE1-CD2 3.95Å; Y604-L677 HydrophobicContact CG-CD2 4.02Å; I606-L677 HydrophobicContact CD1-CB 4.37Å; I606-L677 HydrophobicContact CD1-CD2 3.83Å; I606-L677 HydrophobicContact CD1-CG 3.98Å; M672-L677 HydrophobicContact CG-CB 4.16Å; M672-L677 HydrophobicContact SD-CB 3.72Å; M672-L677 HydrophobicContact SD-CD1 3.61Å; M672-L677 HydrophobicContact SD-CG 4.13Å; S673-L677 WeakPolarHBondContact O-CB 3.48Å; S673-L677 PolarHBondContact O-N 3.29Å; S673-L677 VanDerWaalsContact O-N 3.14Å; D674-L677 PolarHBondContact O-N 3.35Å; E675-L677 PolarHBondContact O-N 3.01Å; L677-L681 HydrophobicContact CD1-CD1 4.03Å; L677-L681 HydrophobicContact CD1-CG 4.11Å; L677-L681 HydrophobicContact CG-CD1 4.04Å; L677-L681 WeakPolarHBondContact O-CB 3.23Å; L677-L681 VanDerWaalsContact O-CG 3.22Å; L677-L681 WeakPolarHBondContact O-CG 3.49Å; L677-L681 PolarHBondContact O-N 3.47Å; L677-P688 HydrophobicContact CD1-CB 4.18Å; L677-P688 HydrophobicContact CD1-CG 3.98Å
678	M	81.2	Confident	80.6	Confident	28 Å²	28	31.3 Å²	31.3	14%	0.138	16%	0.155	C	C	.	.	H	α-helix	trans	-62.1	-51.2	172.9	-71.4	169.1	57.5	0	0	109.6	C357 I606 F611 D674 E675 M680 L681 D682	C357-M678 WeakPolarHBondContact SG-CE 3.24Å; I606-M678 HydrophobicContact CB-CG 4.45Å; I606-M678 HydrophobicContact CB-SD 4.35Å; I606-M678 HydrophobicContact CD1-CG 3.57Å; I606-M678 HydrophobicContact CG2-CG 4.07Å; I606-M678 HydrophobicContact CG2-SD 3.55Å; I606-M678 VanDerWaalsContact CG2-SD 3.55Å; F611-M678 HydrophobicContact CD1-CG 4.38Å; F611-M678 HydrophobicContact CD2-CG 4.47Å; F611-M678 HydrophobicContact CE1-CE 3.83Å; F611-M678 HydrophobicContact CE1-CG 4.29Å; F611-M678 HydrophobicContact CE2-CE 4.31Å; F611-M678 HydrophobicContact CE2-CG 4.38Å; F611-M678 HydrophobicContact CE2-SD 4.33Å; F611-M678 HydrophobicContact CG-CG 4.48Å; F611-M678 HydrophobicContact CZ-CE 3.59Å; F611-M678 HydrophobicContact CZ-CG 4.31Å; F611-M678 HydrophobicContact CZ-SD 4.18Å; D674-M678 WeakPolarHBondContact O-CG 3.43Å; D674-M678 PolarHBondContact O-N 2.92Å; E675-M678 WeakPolarHBondContact O-CB 3.35Å; E675-M678 PolarHBondContact O-N 3.33Å; M678-M680 VanDerWaalsContact C-N 3.28Å; M678-M680 PolarHBondContact O-N 3.16Å; M678-L681 PolarHBondContact O-N 2.81Å; M678-D682 PolarHBondContact O-N 3.17Å
679	D	70.6	Confident	80.5	Confident	34 Å²	34	31.7 Å²	31.7	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-54.8	-44.7	177.4	-67.5	-10.9	0	0	0	111.8	E675 L681 D682 Y683	E675-D679 PolarHBondContact O-N 3.34Å; D679-L681 VanDerWaalsContact C-N 3.35Å; D679-L681 PolarHBondContact O-N 2.75Å; D679-D682 PolarHBondContact O-N 3.4Å; D679-Y683 HydrophobicContact CB-CD2 4.48Å; D679-Y683 VanDerWaalsContact O-CD2 3.26Å; D679-Y683 WeakPolarHBondContact O-CD2 3.25Å; D679-Y683 PolarHBondContact O-N 2.94Å
680	M	78.9	Confident	80.4	Confident	18 Å²	18	34.2 Å²	34.2	9%	0.089	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-38.5	176.6	174.3	173.7	-98.9	0	0	112.5	M672 D676 M678 D682 D684 P688	M672-M680 HydrophobicContact CE-CE 4.49Å; M672-M680 HydrophobicContact CE-SD 3.8Å; D676-M680 WeakPolarHBondContact O-CB 3.35Å; D676-M680 PolarHBondContact O-N 3.46Å; M678-M680 VanDerWaalsContact C-N 3.28Å; M678-M680 PolarHBondContact O-N 3.16Å; M680-D682 VanDerWaalsContact C-N 3.28Å; M680-D682 PolarHBondContact O-N 3.44Å; M680-D684 HydrophobicContact CB-CB 4.35Å; M680-D684 WeakPolarHBondContact CE-OD2 3.42Å; M680-D684 HydrophobicContact CG-CB 3.85Å; M680-D684 WeakPolarHBondContact O-CB 3.49Å; M680-D684 PolarHBondContact O-N 3.42Å; M680-P688 HydrophobicContact SD-CB 4.17Å; M680-P688 HydrophobicContact SD-CG 4.4Å
681	L	82.3	Confident	80.7	Confident	14 Å²	14	34.1 Å²	34.1	7%	0.073	17%	0.165	C	C	.	.	H	α-helix	trans	-70.7	-26.8	179.4	-73.9	168.4	0	0	0	112.6	Y604 F611 V613 L677 M678 D679 P688	Y604-L681 HydrophobicContact CD2-CD1 3.93Å; Y604-L681 HydrophobicContact CD2-CD2 4.35Å; Y604-L681 HydrophobicContact CE2-CD2 4.35Å; Y604-L681 HydrophobicContact CG-CD1 4.38Å; F611-L681 HydrophobicContact CB-CD1 3.65Å; V613-L681 HydrophobicContact CB-CD2 4.41Å; V613-L681 HydrophobicContact CG2-CD2 3.7Å; L677-L681 HydrophobicContact CD1-CD1 4.03Å; L677-L681 HydrophobicContact CD1-CG 4.11Å; L677-L681 HydrophobicContact CG-CD1 4.04Å; L677-L681 WeakPolarHBondContact O-CB 3.23Å; L677-L681 VanDerWaalsContact O-CG 3.22Å; L677-L681 WeakPolarHBondContact O-CG 3.49Å; L677-L681 PolarHBondContact O-N 3.47Å; M678-L681 PolarHBondContact O-N 2.81Å; D679-L681 VanDerWaalsContact C-N 3.35Å; D679-L681 PolarHBondContact O-N 2.75Å; L681-P688 HydrophobicContact CD2-CG 3.6Å; L681-P688 HydrophobicContact CG-CG 4.29Å
682	D	71.8	Confident	81.2	Confident	53 Å²	53	35.1 Å²	35.1	28%	0.283	17%	0.169	S	C	.	.	H	α-helix	trans	-92.7	-28.6	-175.9	-67.8	-24.3	0	0	0	113.4	M678 D679 M680	M678-D682 PolarHBondContact O-N 3.17Å; D679-D682 PolarHBondContact O-N 3.4Å; M680-D682 VanDerWaalsContact C-N 3.28Å; M680-D682 PolarHBondContact O-N 3.44Å
683	Y	65.8	Low	82	Confident	128 Å²	128	33.3 Å²	33.3	50%	0.502	16%	0.16	S	C	.	.	H	α-helix	trans	-131.2	-15.9	-168.5	-52.2	-67.3	0	0	0	115.6	D679	D679-Y683 HydrophobicContact CB-CD2 4.48Å; D679-Y683 VanDerWaalsContact O-CD2 3.26Å; D679-Y683 WeakPolarHBondContact O-CD2 3.25Å; D679-Y683 PolarHBondContact O-N 2.94Å
684	D	71.1	Confident	82.7	Confident	49 Å²	49	33 Å²	33	26%	0.262	16%	0.156	S	C	.	.			trans	-89.8	126.8	-177.7	-162.9	-25.7	0	0	0	110	M680 H686	M680-D684 HydrophobicContact CB-CB 4.35Å; M680-D684 WeakPolarHBondContact CE-OD2 3.42Å; M680-D684 HydrophobicContact CG-CB 3.85Å; M680-D684 WeakPolarHBondContact O-CB 3.49Å; M680-D684 PolarHBondContact O-N 3.42Å; D684-H686 PolarHBondContact O-N 3.19Å; D684-H686 VanDerWaalsContact O-N 3.15Å; D684-H686 VanDerWaalsContact OD1-CB 3.27Å; D684-H686 WeakPolarHBondContact OD1-CB 3.4Å; D684-H686 IonicContact OD1-CE1 3.41Å; D684-H686 IonicContact OD1-CG 3.1Å; D684-H686 PolarHBondContact OD1-N 3.05Å; D684-H686 IonicContact OD1-ND1 3.17Å; D684-H686 PolarHBondContact OD1-ND1 2.85Å
685	E	78.4	Confident	83.2	Confident	29 Å²	29	28.4 Å²	28.4	14%	0.136	13%	0.132	C	C	.	.	S	Bend	trans	-66.6	-10.4	172.5	63.6	173.7	179.7	0	0	112.4	L374 T618 E621	L374-E685 WeakPolarHBondContact CD1-OE2 3.45Å; T618-E685 WeakPolarHBondContact CA-O 3.49Å; T618-E685 WeakPolarHBondContact CB-O 3.31Å; T618-E685 WeakPolarHBondContact CG2-O 3.34Å; E621-E685 WeakPolarHBondContact CB-O 3.49Å; E621-E685 HydrophobicContact CG-CB 4.47Å; E621-E685 HydrophobicContact CG-CG 4.09Å; E621-E685 WeakPolarHBondContact CG-O 3.48Å
686	H	85.7	Confident	84.2	Confident	35 Å²	35	25.6 Å²	25.6	16%	0.162	12%	0.119	C	C	.	.	S	Bend	trans	-92.7	129.3	173.2	-54.6	90.5	0	0	0	111.3	E621 D684 R692	E621-H686 VanDerWaalsContact CD-NE2 3.26Å; E621-H686 VanDerWaalsContact CG-CD2 3.42Å; E621-H686 WeakPolarHBondContact CG-CD2 3.49Å; E621-H686 IonicContact OE1-NE2 2.66Å; E621-H686 IonicContact OE2-CD2 2.7Å; E621-H686 PolarHBondContact OE2-CD2 3.12Å; E621-H686 IonicContact OE2-NE2 3.35Å; E621-H686 PolarHBondContact OE2-NE2 2.81Å; E621-H686 VanDerWaalsContact OE2-NE2 3.16Å; D684-H686 PolarHBondContact O-N 3.19Å; D684-H686 VanDerWaalsContact O-N 3.15Å; D684-H686 VanDerWaalsContact OD1-CB 3.27Å; D684-H686 WeakPolarHBondContact OD1-CB 3.4Å; D684-H686 IonicContact OD1-CE1 3.41Å; D684-H686 IonicContact OD1-CG 3.1Å; D684-H686 PolarHBondContact OD1-N 3.05Å; D684-H686 IonicContact OD1-ND1 3.17Å; D684-H686 PolarHBondContact OD1-ND1 2.85Å; H686-R692 PolarHBondContact CD2-NH1 2.89Å
687	A	91.1	Very high	85.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-56.2	151.7	165.2	0	0	0	0	0	110.8	Y599 V613 T618 M689 R692	Y599-A687 HydrophobicContact CD1-CB 3.89Å; Y599-A687 HydrophobicContact CE1-CB 3.78Å; V613-A687 HydrophobicContact CG1-CB 4.21Å; T618-A687 HydrophobicContact CG2-CB 4.45Å; A687-M689 PolarHBondContact O-N 3.36Å; A687-R692 HydrophobicContact CB-CG 4.28Å; A687-R692 VanDerWaalsContact O-CD 3.28Å; A687-R692 WeakPolarHBondContact O-CD 3.27Å; A687-R692 WeakPolarHBondContact O-CG 3.38Å
688	P	90.8	Very high	85.6	Confident	4 Å²	4	26.2 Å²	26.2	3%	0.026	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-54.1	143.2	178.4	-28	34.5	0	0	0	112.6	Y604 V613 L677 M680 L681 R690 D691 R692	Y604-P688 HydrophobicContact CE2-CG 4.09Å; V613-P688 HydrophobicContact CG2-CG 4.19Å; L677-P688 HydrophobicContact CD1-CB 4.18Å; L677-P688 HydrophobicContact CD1-CG 3.98Å; M680-P688 HydrophobicContact SD-CB 4.17Å; M680-P688 HydrophobicContact SD-CG 4.4Å; L681-P688 HydrophobicContact CD2-CG 3.6Å; L681-P688 HydrophobicContact CG-CG 4.29Å; P688-R690 PolarHBondContact O-N 3.4Å; P688-D691 WeakPolarHBondContact O-CA 3.28Å; P688-D691 PolarHBondContact O-N 3.2Å; P688-R692 PolarHBondContact O-N 2.9Å; P688-R692 VanDerWaalsContact O-N 3.07Å
689	M	90.2	Very high	86.3	Confident	16 Å²	16	25.3 Å²	25.3	8%	0.079	11%	0.114	C	C	.	.	H	α-helix	trans	-48.8	-34	-173.2	-61.9	-58.1	-179.7	0	0	115.1	W15 Y33 F668 A670 A687 V693	W15-M689 HydrophobicContact CH2-CB 3.93Å; W15-M689 HydrophobicContact CZ3-CB 4.19Å; Y33-M689 WeakPolarHBondContact OH-CE 3.18Å; F668-M689 HydrophobicContact CB-CB 4.22Å; F668-M689 HydrophobicContact CD1-SD 3.57Å; F668-M689 VanDerWaalsContact CD1-SD 3.57Å; F668-M689 HydrophobicContact CE1-SD 4.31Å; F668-M689 VanDerWaalsContact O-CB 3.3Å; F668-M689 WeakPolarHBondContact O-CB 3.38Å; A670-M689 HydrophobicContact CB-CB 4.07Å; A670-M689 HydrophobicContact CB-CG 3.84Å; A687-M689 PolarHBondContact O-N 3.36Å; M689-V693 PolarHBondContact O-N 3.08Å
690	R	89.8	Confident	87.5	Confident	56 Å²	56	23.9 Å²	23.9	21%	0.211	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-42.9	175.1	-179.2	-167	80.4	-162.8	-2.9	112.2	W15 Y604 P688 V693 N694	W15-R690 HydrophobicContact CD2-CB 4.08Å; W15-R690 HydrophobicContact CD2-CG 4.01Å; W15-R690 HydrophobicContact CE3-CB 4.49Å; W15-R690 HydrophobicContact CG-CG 3.98Å; W15-R690 HydrophobicContact CH2-CB 4.27Å; W15-R690 HydrophobicContact CZ2-CB 3.86Å; W15-R690 HydrophobicContact CZ2-CG 4.44Å; Y604-R690 VanDerWaalsContact CE1-CZ 3.46Å; Y604-R690 PolarHBondContact OH-NE 3.01Å; Y604-R690 PolarHBondContact OH-NH2 3.1Å; P688-R690 PolarHBondContact O-N 3.4Å; R690-V693 PolarHBondContact O-N 3.1Å; R690-N694 WeakPolarHBondContact CG-ND2 3.25Å; R690-N694 WeakPolarHBondContact O-CB 3.37Å; R690-N694 PolarHBondContact O-N 3.24Å; R690-N694 PolarHBondContact O-ND2 3.04Å
691	D	92.2	Very high	88.3	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-82.8	-29.7	-173.4	-59.9	-31.2	0	0	0	110.7	Y602 Y604 P688 V693 G695	Y602-D691 HydrophobicContact CD2-CB 3.83Å; Y602-D691 HydrophobicContact CE2-CB 4.21Å; Y602-D691 HydrophobicContact CG-CB 4.31Å; Y604-D691 WeakPolarHBondContact CE2-OD2 3.37Å; Y604-D691 VanDerWaalsContact CZ-OD2 3.31Å; Y604-D691 PolarHBondContact OH-OD2 3.3Å; P688-D691 WeakPolarHBondContact O-CA 3.28Å; P688-D691 PolarHBondContact O-N 3.2Å; D691-V693 VanDerWaalsContact C-N 3.28Å; D691-V693 PolarHBondContact O-N 2.75Å; D691-G695 WeakPolarHBondContact O-CA 3.29Å; D691-G695 PolarHBondContact O-N 3.14Å
692	R	94.3	Very high	88.9	Confident	22 Å²	22	29.5 Å²	29.5	8%	0.083	14%	0.136	C	C	.	.	H	α-helix	trans	-54	-43.1	162.6	-64.4	-170.9	73	163.8	10.8	112	H557 E621 D625 Y664 F668 H686 A687 P688 V696	H557-R692 PolarHBondContact CE1-NH2 3.13Å; E621-R692 IonicContact OE2-NH2 3.67Å; D625-R692 IonicContact OD1-CZ 2.85Å; D625-R692 IonicContact OD1-NE 3.59Å; D625-R692 IonicContact OD1-NH2 3.54Å; D625-R692 PolarHBondContact OD1-NH2 2.77Å; D625-R692 VanDerWaalsContact OD2-CB 3.25Å; D625-R692 WeakPolarHBondContact OD2-CB 3.32Å; D625-R692 VanDerWaalsContact OD2-CG 3.27Å; D625-R692 WeakPolarHBondContact OD2-CG 3.45Å; D625-R692 IonicContact OD2-CZ 2.91Å; D625-R692 IonicContact OD2-NE 3.53Å; D625-R692 PolarHBondContact OD2-NE 3.3Å; D625-R692 IonicContact OD2-NH2 2.72Å; D625-R692 PolarHBondContact OD2-NH2 3.1Å; Y664-R692 PolarHBondContact OH-O 3.24Å; F668-R692 HydrophobicContact CD1-CB 4.29Å; F668-R692 HydrophobicContact CE1-CB 4.3Å; H686-R692 PolarHBondContact CD2-NH1 2.89Å; A687-R692 HydrophobicContact CB-CG 4.28Å; A687-R692 VanDerWaalsContact O-CD 3.28Å; A687-R692 WeakPolarHBondContact O-CD 3.27Å; A687-R692 WeakPolarHBondContact O-CG 3.38Å; P688-R692 PolarHBondContact O-N 2.9Å; P688-R692 VanDerWaalsContact O-N 3.07Å; R692-V696 WeakPolarHBondContact O-CB 3.37Å; R692-V696 WeakPolarHBondContact O-CG2 3.27Å
693	V	94.1	Very high	90	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-75.2	-55	176.7	176.9	0	0	0	0	112.7	P14 W15 Y664 F668 M689 R690 D691 L697	P14-V693 HydrophobicContact CB-CG1 4.23Å; W15-V693 HydrophobicContact CB-CG1 4.35Å; W15-V693 HydrophobicContact CE3-CB 4.18Å; W15-V693 HydrophobicContact CE3-CG2 3.97Å; W15-V693 HydrophobicContact CZ3-CG2 4.28Å; Y664-V693 HydrophobicContact CE1-CB 4.48Å; Y664-V693 HydrophobicContact CE1-CG1 4.35Å; Y664-V693 HydrophobicContact CE1-CG2 4.39Å; F668-V693 HydrophobicContact CB-CG2 3.48Å; F668-V693 VanDerWaalsContact CB-CG2 3.48Å; F668-V693 HydrophobicContact CD2-CG2 3.65Å; F668-V693 HydrophobicContact CG-CG2 3.83Å; M689-V693 PolarHBondContact O-N 3.08Å; R690-V693 PolarHBondContact O-N 3.1Å; D691-V693 VanDerWaalsContact C-N 3.28Å; D691-V693 PolarHBondContact O-N 2.75Å; V693-L697 HydrophobicContact CG1-CD1 3.73Å; V693-L697 HydrophobicContact CG1-CG 4.5Å; V693-L697 WeakPolarHBondContact O-CB 3.27Å; V693-L697 WeakPolarHBondContact O-CG 3.39Å; V693-L697 PolarHBondContact O-N 3.31Å
694	N	92	Very high	91.3	Very high	11 Å²	11	21.1 Å²	21.1	6%	0.059	10%	0.1	C	C	.	.	H	α-helix	trans	-77	-35.5	-170.1	-68.2	-39.8	0	0	0	112.5	C13 R690 V696 R698 M715	C13-N694 PolarHBondContact SG-OD1 3.37Å; R690-N694 WeakPolarHBondContact CG-ND2 3.25Å; R690-N694 WeakPolarHBondContact O-CB 3.37Å; R690-N694 PolarHBondContact O-N 3.24Å; R690-N694 PolarHBondContact O-ND2 3.04Å; N694-V696 VanDerWaalsContact C-N 3.33Å; N694-R698 WeakPolarHBondContact O-CB 3.5Å; N694-R698 WeakPolarHBondContact O-CG 3.42Å; N694-R698 PolarHBondContact O-N 2.66Å; N694-R698 VanDerWaalsContact O-N 3.11Å; N694-M715 HydrophobicContact CB-CE 4.37Å; N694-M715 HydrophobicContact CB-SD 4.12Å
695	G	93.2	Very high	92.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.6	-37.6	176.2	0	0	0	0	0	112.3	Q598 Y602 D691 R698 N699	Q598-G695 PolarHBondContact NE2-O 3.23Å; Y602-G695 VanDerWaalsContact OH-CA 3.29Å; Y602-G695 WeakPolarHBondContact OH-CA 3.22Å; D691-G695 WeakPolarHBondContact O-CA 3.29Å; D691-G695 PolarHBondContact O-N 3.14Å; G695-R698 VanDerWaalsContact O-CG 3.26Å; G695-R698 WeakPolarHBondContact O-CG 3.12Å; G695-N699 PolarHBondContact O-ND2 2.95Å; G695-N699 VanDerWaalsContact O-ND2 3.08Å
696	V	95.4	Very high	93.2	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-74	-56	172.5	177.1	0	0	0	0	111.2	D625 V629 R692 N694 R698 N699 V700	D625-V696 HydrophobicContact CB-CG2 3.71Å; V629-V696 HydrophobicContact CB-CG1 3.85Å; V629-V696 HydrophobicContact CG2-CG1 3.54Å; R692-V696 WeakPolarHBondContact O-CB 3.37Å; R692-V696 WeakPolarHBondContact O-CG2 3.27Å; N694-V696 VanDerWaalsContact C-N 3.33Å; V696-R698 VanDerWaalsContact C-N 3.28Å; V696-R698 PolarHBondContact O-N 2.79Å; V696-N699 WeakPolarHBondContact O-CA 3.48Å; V696-N699 WeakPolarHBondContact O-CB 3.28Å; V696-N699 PolarHBondContact O-N 3.34Å; V696-V700 HydrophobicContact CG1-CG2 4.23Å; V696-V700 PolarHBondContact O-N 3.35Å
697	L	95.2	Very high	93.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-26.4	-168.1	-69.1	179.1	0	0	0	114.3	P14 V629 F661 Y664 V693 N699 V700 F703 M715	P14-L697 HydrophobicContact CB-CD1 3.77Å; P14-L697 HydrophobicContact CG-CD1 3.41Å; P14-L697 VanDerWaalsContact CG-CD1 3.41Å; V629-L697 HydrophobicContact CG1-CD2 4.14Å; F661-L697 HydrophobicContact CD1-CD2 3.69Å; F661-L697 HydrophobicContact CE1-CD2 4.09Å; Y664-L697 HydrophobicContact CD1-CD1 4.09Å; Y664-L697 HydrophobicContact CD1-CD2 3.96Å; Y664-L697 HydrophobicContact CD1-CG 4.08Å; Y664-L697 HydrophobicContact CE1-CD1 4.26Å; Y664-L697 HydrophobicContact CE1-CD2 4.06Å; Y664-L697 HydrophobicContact CE1-CG 3.9Å; V693-L697 HydrophobicContact CG1-CD1 3.73Å; V693-L697 HydrophobicContact CG1-CG 4.5Å; V693-L697 WeakPolarHBondContact O-CB 3.27Å; V693-L697 WeakPolarHBondContact O-CG 3.39Å; V693-L697 PolarHBondContact O-N 3.31Å; L697-N699 PolarHBondContact O-N 3.3Å; L697-V700 PolarHBondContact O-N 3.43Å; L697-F703 HydrophobicContact CB-CD1 4.02Å; L697-F703 HydrophobicContact CB-CD2 4.41Å; L697-F703 HydrophobicContact CB-CE1 4.34Å; L697-F703 HydrophobicContact CB-CG 4.07Å; L697-F703 HydrophobicContact CD1-CD2 4.15Å; L697-F703 HydrophobicContact CD1-CE2 4.15Å; L697-F703 HydrophobicContact CD2-CB 4.23Å; L697-F703 HydrophobicContact CD2-CD2 4.12Å; L697-F703 HydrophobicContact CD2-CG 4.14Å; L697-F703 HydrophobicContact CG-CD2 4.49Å; L697-F703 VanDerWaalsContact O-CD1 3.28Å; L697-F703 WeakPolarHBondContact O-CD1 3.37Å; L697-M715 HydrophobicContact CB-CE 3.68Å
698	R	94.3	Very high	93.5	Very high	49 Å²	49	29 Å²	29	19%	0.185	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.3	172.2	67.9	-175.3	-69.2	-152.2	-7.6	111.9	Y602 N694 G695 V696 M715 P717 K720	Y602-R698 VanDerWaalsContact OH-CD 3.27Å; Y602-R698 WeakPolarHBondContact OH-CD 3.43Å; Y602-R698 PolarHBondContact OH-NH1 2.96Å; N694-R698 WeakPolarHBondContact O-CB 3.5Å; N694-R698 WeakPolarHBondContact O-CG 3.42Å; N694-R698 PolarHBondContact O-N 2.66Å; N694-R698 VanDerWaalsContact O-N 3.11Å; G695-R698 VanDerWaalsContact O-CG 3.26Å; G695-R698 WeakPolarHBondContact O-CG 3.12Å; V696-R698 VanDerWaalsContact C-N 3.28Å; V696-R698 PolarHBondContact O-N 2.79Å; R698-M715 HydrophobicContact CB-CE 4.48Å; R698-P717 HydrophobicContact CB-CG 4.22Å; R698-P717 WeakPolarHBondContact O-CD 3.42Å; R698-K720 PolarHBondContact O-NZ 3.23Å
699	N	95.7	Very high	93.5	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.048	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.9	-179.9	-65	-33.6	0	0	0	113.3	Q598 G695 V696 L697 K720 C721 V722	Q598-N699 PolarHBondContact NE2-ND2 3.02Å; Q598-N699 PolarHBondContact OE1-ND2 2.96Å; Q598-N699 PolarHBondContact OE1-OD1 3.23Å; G695-N699 PolarHBondContact O-ND2 2.95Å; G695-N699 VanDerWaalsContact O-ND2 3.08Å; V696-N699 WeakPolarHBondContact O-CA 3.48Å; V696-N699 WeakPolarHBondContact O-CB 3.28Å; V696-N699 PolarHBondContact O-N 3.34Å; L697-N699 PolarHBondContact O-N 3.3Å; N699-K720 HydrophobicContact CB-CB 4.41Å; N699-K720 WeakPolarHBondContact OD1-CA 3.43Å; N699-C721 WeakPolarHBondContact CB-O 3.33Å; N699-C721 PolarHBondContact ND2-O 2.82Å; N699-C721 VanDerWaalsContact ND2-O 3.07Å; N699-C721 PolarHBondContact OD1-N 2.7Å; N699-V722 HydrophobicContact CB-CG2 4.09Å
700	V	95.4	Very high	93.5	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.024	16%	0.159	C	C	.	.			trans	-92.8	110.2	-178.7	-179.2	0	0	0	0	111.3	V629 M630 F661 V696 L697 Q702 F703 A704	V629-V700 HydrophobicContact CB-CG2 4.46Å; V629-V700 HydrophobicContact CG1-CG2 4.07Å; M630-V700 HydrophobicContact CG-CG2 4.43Å; M630-V700 HydrophobicContact SD-CB 4.45Å; M630-V700 HydrophobicContact SD-CG1 3.82Å; M630-V700 HydrophobicContact SD-CG2 4.13Å; F661-V700 HydrophobicContact CE1-CG1 4.17Å; F661-V700 HydrophobicContact CZ-CG1 4.33Å; V696-V700 HydrophobicContact CG1-CG2 4.23Å; V696-V700 PolarHBondContact O-N 3.35Å; L697-V700 PolarHBondContact O-N 3.43Å; V700-Q702 VanDerWaalsContact C-N 3.33Å; V700-Q702 HydrophobicContact CG1-CB 4.18Å; V700-Q702 PolarHBondContact O-N 3.18Å; V700-F703 HydrophobicContact CB-CB 3.99Å; V700-F703 HydrophobicContact CG1-CB 3.98Å; V700-F703 WeakPolarHBondContact O-CB 3.33Å; V700-F703 PolarHBondContact O-N 3.26Å; V700-A704 PolarHBondContact O-N 2.94Å
701	D	94.9	Very high	93.7	Very high	86 Å²	86	34.1 Å²	34.1	46%	0.46	19%	0.185	S	C	.	.	H	α-helix	trans	-61.8	-39.5	179	-79.8	-17.1	0	0	0	112.9	F703 A704 I705 K720	D701-F703 PolarHBondContact O-N 3.03Å; D701-A704 PolarHBondContact O-N 3.47Å; D701-A704 VanDerWaalsContact O-N 3.15Å; D701-I705 VanDerWaalsContact O-CG1 3.29Å; D701-I705 WeakPolarHBondContact O-CG1 3.28Å; D701-I705 PolarHBondContact O-N 3.3Å; D701-K720 VanDerWaalsContact OD1-CD 3.26Å; D701-K720 WeakPolarHBondContact OD1-CD 3.08Å; D701-K720 WeakPolarHBondContact OD1-CE 3.28Å; D701-K720 IonicContact OD1-NZ 3.98Å; D701-K720 PolarHBondContact OD1-NZ 3.1Å
702	Q	95.2	Very high	93.6	Very high	65 Å²	65	36.5 Å²	36.5	30%	0.304	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-34.2	179.2	-71.6	76.3	1.3	0	0	111.2	Y633 F661 V700 T706	Y633-Q702 HydrophobicContact CD1-CB 4.37Å; Y633-Q702 HydrophobicContact CD1-CG 4.14Å; Y633-Q702 HydrophobicContact CE1-CB 3.94Å; Y633-Q702 HydrophobicContact CE1-CG 3.62Å; F661-Q702 HydrophobicContact CZ-CB 4.16Å; V700-Q702 VanDerWaalsContact C-N 3.33Å; V700-Q702 HydrophobicContact CG1-CB 4.18Å; V700-Q702 PolarHBondContact O-N 3.18Å; Q702-T706 WeakPolarHBondContact O-CB 3.48Å; Q702-T706 PolarHBondContact O-N 2.72Å; Q702-T706 PolarHBondContact O-OG1 2.87Å
703	F	94.8	Very high	93.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-52.1	173.3	167.5	-97.3	0	0	0	110.4	P14 F661 L697 V700 D701 I705 T706 F707 M715	P14-F703 VanDerWaalsContact CD-CZ 3.41Å; P14-F703 HydrophobicContact CG-CD2 4.2Å; P14-F703 HydrophobicContact CG-CE2 3.39Å; P14-F703 HydrophobicContact CG-CZ 4.06Å; F661-F703 HydrophobicContact CB-CD2 4.12Å; F661-F703 HydrophobicContact CD1-CB 4.12Å; F661-F703 AromaticContact CD1-CD2 3.97Å; F661-F703 HydrophobicContact CD1-CD2 3.97Å; F661-F703 HydrophobicContact CD2-CD2 4.23Å; F661-F703 HydrophobicContact CE1-CB 3.77Å; F661-F703 HydrophobicContact CE1-CD2 4.48Å; F661-F703 HydrophobicContact CE2-CB 4.29Å; F661-F703 AromaticContact CG-CD2 3.85Å; F661-F703 HydrophobicContact CG-CD2 3.85Å; F661-F703 HydrophobicContact CZ-CB 3.88Å; L697-F703 HydrophobicContact CB-CD1 4.02Å; L697-F703 HydrophobicContact CB-CD2 4.41Å; L697-F703 HydrophobicContact CB-CE1 4.34Å; L697-F703 HydrophobicContact CB-CG 4.07Å; L697-F703 HydrophobicContact CD1-CD2 4.15Å; L697-F703 HydrophobicContact CD1-CE2 4.15Å; L697-F703 HydrophobicContact CD2-CB 4.23Å; L697-F703 HydrophobicContact CD2-CD2 4.12Å; L697-F703 HydrophobicContact CD2-CG 4.14Å; L697-F703 HydrophobicContact CG-CD2 4.49Å; L697-F703 VanDerWaalsContact O-CD1 3.28Å; L697-F703 WeakPolarHBondContact O-CD1 3.37Å; V700-F703 HydrophobicContact CB-CB 3.99Å; V700-F703 HydrophobicContact CG1-CB 3.98Å; V700-F703 WeakPolarHBondContact O-CB 3.33Å; V700-F703 PolarHBondContact O-N 3.26Å; D701-F703 PolarHBondContact O-N 3.03Å; F703-I705 VanDerWaalsContact C-N 3.27Å; F703-I705 PolarHBondContact O-N 2.66Å; F703-T706 PolarHBondContact O-N 2.76Å; F703-T706 VanDerWaalsContact O-N 3.1Å; F703-F707 AromaticContact CD2-CD2 3.48Å; F703-F707 HydrophobicContact CD2-CD2 3.48Å; F703-F707 VanDerWaalsContact CD2-CD2 3.48Å; F703-F707 AromaticContact CD2-CE2 3.7Å; F703-F707 HydrophobicContact CD2-CE2 3.7Å; F703-F707 HydrophobicContact CE2-CB 4.49Å; F703-F707 AromaticContact CE2-CD2 3.21Å; F703-F707 HydrophobicContact CE2-CD2 3.21Å; F703-F707 AromaticContact CE2-CE2 3.48Å; F703-F707 HydrophobicContact CE2-CE2 3.48Å; F703-F707 VanDerWaalsContact CE2-CE2 3.48Å; F703-F707 AromaticContact CE2-CG 3.93Å; F703-F707 HydrophobicContact CE2-CG 3.93Å; F703-F707 HydrophobicContact CE2-CZ 4.37Å; F703-F707 HydrophobicContact CG-CD2 4.4Å; F703-F707 HydrophobicContact CZ-CB 4.46Å; F703-F707 AromaticContact CZ-CD2 3.97Å; F703-F707 HydrophobicContact CZ-CD2 3.97Å; F703-F707 HydrophobicContact CZ-CG 4.31Å; F703-F707 PolarHBondContact O-N 3.38Å; F703-M715 HydrophobicContact CE1-CB 4.03Å; F703-M715 HydrophobicContact CE1-CE 3.9Å; F703-M715 HydrophobicContact CZ-CE 4.31Å
704	A	93.8	Very high	93.1	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-39.4	179.2	0	0	0	0	0	112.5	V700 D701 N708 C709 N716	V700-A704 PolarHBondContact O-N 2.94Å; D701-A704 PolarHBondContact O-N 3.47Å; D701-A704 VanDerWaalsContact O-N 3.15Å; A704-N708 CarbonylContact O-C 3.42Å; A704-N708 VanDerWaalsContact O-CA 3.32Å; A704-N708 WeakPolarHBondContact O-CA 3.29Å; A704-N708 PolarHBondContact O-N 3.14Å; A704-C709 HydrophobicContact CB-CB 4.05Å; A704-C709 PolarHBondContact O-N 3.29Å; A704-N716 HydrophobicContact CB-CB 3.84Å; A704-N716 VanDerWaalsContact CB-CG 3.47Å
705	I	94.8	Very high	93.1	Very high	120 Å²	120	38 Å²	38	62%	0.615	22%	0.223	S	C	*	.	H	α-helix	trans	-65.3	-48.5	174.5	-68	163.8	0	0	0	110.7	D701 F703 F707 N708	D701-I705 VanDerWaalsContact O-CG1 3.29Å; D701-I705 WeakPolarHBondContact O-CG1 3.28Å; D701-I705 PolarHBondContact O-N 3.3Å; F703-I705 VanDerWaalsContact C-N 3.27Å; F703-I705 PolarHBondContact O-N 2.66Å; I705-F707 VanDerWaalsContact C-N 3.28Å; I705-F707 PolarHBondContact O-N 3.03Å; I705-N708 PolarHBondContact O-N 3.12Å
706	T	93.5	Very high	93.1	Very high	22 Å²	22	39.1 Å²	39.1	14%	0.135	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-36.7	-175.7	-65.1	0	0	0	0	112.4	E657 K658 F661 Q702 F703	E657-T706 HydrophobicContact CB-CG2 3.98Å; K658-T706 HydrophobicContact CB-CG2 4.25Å; K658-T706 VanDerWaalsContact CE-O 3.27Å; K658-T706 WeakPolarHBondContact CE-O 3.38Å; K658-T706 HydrophobicContact CG-CG2 3.44Å; K658-T706 VanDerWaalsContact CG-CG2 3.44Å; F661-T706 HydrophobicContact CD2-CG2 4Å; F661-T706 HydrophobicContact CE2-CG2 4.18Å; Q702-T706 WeakPolarHBondContact O-CB 3.48Å; Q702-T706 PolarHBondContact O-N 2.72Å; Q702-T706 PolarHBondContact O-OG1 2.87Å; F703-T706 PolarHBondContact O-N 2.76Å; F703-T706 VanDerWaalsContact O-N 3.1Å
707	F	91.4	Very high	93.1	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.035	23%	0.234	C	C	.	.	H	α-helix	trans	-99.6	2.3	179	-70.6	-86.2	0	0	0	114.3	T11 K658 F661 L662 F703 I705 C709	T11-F707 WeakPolarHBondContact O-CD1 3.15Å; T11-F707 VanDerWaalsContact O-CE1 3.3Å; T11-F707 WeakPolarHBondContact O-CE1 3.3Å; K658-F707 HydrophobicContact CB-CE1 4.42Å; K658-F707 HydrophobicContact CB-CZ 4.05Å; K658-F707 HydrophobicContact CD-CE1 4.42Å; K658-F707 HydrophobicContact CG-CE1 4.14Å; K658-F707 HydrophobicContact CG-CE2 4.43Å; K658-F707 HydrophobicContact CG-CZ 4.03Å; F661-F707 HydrophobicContact CB-CE2 3.68Å; F661-F707 HydrophobicContact CB-CZ 4.2Å; F661-F707 AromaticContact CD2-CE2 3.88Å; F661-F707 HydrophobicContact CD2-CE2 3.88Å; F661-F707 HydrophobicContact CG-CE2 4.09Å; L662-F707 HydrophobicContact CG-CZ 4.47Å; F703-F707 AromaticContact CD2-CD2 3.48Å; F703-F707 HydrophobicContact CD2-CD2 3.48Å; F703-F707 VanDerWaalsContact CD2-CD2 3.48Å; F703-F707 AromaticContact CD2-CE2 3.7Å; F703-F707 HydrophobicContact CD2-CE2 3.7Å; F703-F707 HydrophobicContact CE2-CB 4.49Å; F703-F707 AromaticContact CE2-CD2 3.21Å; F703-F707 HydrophobicContact CE2-CD2 3.21Å; F703-F707 AromaticContact CE2-CE2 3.48Å; F703-F707 HydrophobicContact CE2-CE2 3.48Å; F703-F707 VanDerWaalsContact CE2-CE2 3.48Å; F703-F707 AromaticContact CE2-CG 3.93Å; F703-F707 HydrophobicContact CE2-CG 3.93Å; F703-F707 HydrophobicContact CE2-CZ 4.37Å; F703-F707 HydrophobicContact CG-CD2 4.4Å; F703-F707 HydrophobicContact CZ-CB 4.46Å; F703-F707 AromaticContact CZ-CD2 3.97Å; F703-F707 HydrophobicContact CZ-CD2 3.97Å; F703-F707 HydrophobicContact CZ-CG 4.31Å; F703-F707 PolarHBondContact O-N 3.38Å; I705-F707 VanDerWaalsContact C-N 3.28Å; I705-F707 PolarHBondContact O-N 3.03Å; F707-C709 VanDerWaalsContact C-N 3.3Å; F707-C709 PolarHBondContact O-N 3.29Å
708	N	92.4	Very high	93.1	Very high	128 Å²	128	45.6 Å²	45.6	68%	0.684	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	45.4	-176.3	-58.5	-80.9	0	0	0	112.6	A704 I705 P710	A704-N708 CarbonylContact O-C 3.42Å; A704-N708 VanDerWaalsContact O-CA 3.32Å; A704-N708 WeakPolarHBondContact O-CA 3.29Å; A704-N708 PolarHBondContact O-N 3.14Å; I705-N708 PolarHBondContact O-N 3.12Å; N708-P710 WeakPolarHBondContact O-CD 3.48Å
709	C	90	Very high	93	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.047	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-68.4	121.9	177	-63	0	0	0	0	110.2	A704 F707 N716	A704-C709 HydrophobicContact CB-CB 4.05Å; A704-C709 PolarHBondContact O-N 3.29Å; F707-C709 VanDerWaalsContact C-N 3.3Å; F707-C709 PolarHBondContact O-N 3.29Å; C709-N716 HydrophobicContact CB-CB 3.71Å; C709-N716 PolarHBondContact O-ND2 3.03Å
710	P	92	Very high	93	Very high	59 Å²	59	52.6 Å²	52.6	38%	0.383	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-58.5	141	178.4	-25	34.8	0	0	0	112.3	Y8 N708 G712 S713	Y8-P710 WeakPolarHBondContact OH-CD 3.12Å; Y8-P710 WeakPolarHBondContact OH-CG 3.13Å; N708-P710 WeakPolarHBondContact O-CD 3.48Å; P710-G712 PolarHBondContact O-N 2.69Å; P710-S713 WeakPolarHBondContact O-CB 3.36Å; P710-S713 PolarHBondContact O-N 3.12Å; P710-S713 PolarHBondContact O-OG 2.8Å
711	P	92.7	Very high	93	Very high	118 Å²	118	52.9 Å²	52.9	77%	0.766	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	136.3	173	-25	34.3	0	0	0	111.9	S713	P711-S713 PolarHBondContact O-N 2.94Å
712	G	91.2	Very high	92.9	Very high	52 Å²	52	51 Å²	51	54%	0.536	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	2	-175.4	0	0	0	0	0	114.2	P710 N716	P710-G712 PolarHBondContact O-N 2.69Å; G712-N716 WeakPolarHBondContact CA-O 3.4Å; G712-N716 PolarHBondContact N-O 3.33Å
713	S	90.1	Very high	92.7	Very high	8 Å²	8	48 Å²	48	6%	0.056	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-69.4	159.1	167.6	67.5	0	0	0	0	110.5	Y8 P710 P711 M715 N716	Y8-S713 WeakPolarHBondContact OH-CB 3.48Å; P710-S713 WeakPolarHBondContact O-CB 3.36Å; P710-S713 PolarHBondContact O-N 3.12Å; P710-S713 PolarHBondContact O-OG 2.8Å; P711-S713 PolarHBondContact O-N 2.94Å; S713-M715 PolarHBondContact O-N 3.08Å; S713-M715 VanDerWaalsContact O-N 3.14Å; S713-N716 CarbonylContact O-C 3.07Å; S713-N716 PolarHBondContact O-N 3.05Å; S713-N716 PolarHBondContact OG-N 3.12Å
714	P	87.7	Confident	92.5	Very high	48 Å²	48	48.6 Å²	48.6	31%	0.312	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.7	-176.8	-24.3	33.4	0	0	0	113.9	I2	I2-P714 HydrophobicContact CB-CB 4.39Å; I2-P714 HydrophobicContact CG2-CB 3.33Å; I2-P714 WeakPolarHBondContact O-CB 3.47Å; I2-P714 VanDerWaalsContact O-CG 3.23Å; I2-P714 WeakPolarHBondContact O-CG 3.48Å
715	M	91.1	Very high	92.5	Very high	9 Å²	9	50.9 Å²	50.9	4%	0.044	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	8.6	176	-65	-56.2	-58.5	0	0	114.2	N694 L697 R698 F703 S713	N694-M715 HydrophobicContact CB-CE 4.37Å; N694-M715 HydrophobicContact CB-SD 4.12Å; L697-M715 HydrophobicContact CB-CE 3.68Å; R698-M715 HydrophobicContact CB-CE 4.48Å; F703-M715 HydrophobicContact CE1-CB 4.03Å; F703-M715 HydrophobicContact CE1-CE 3.9Å; F703-M715 HydrophobicContact CZ-CE 4.31Å; S713-M715 PolarHBondContact O-N 3.08Å; S713-M715 VanDerWaalsContact O-N 3.14Å
716	N	94.2	Very high	92.4	Very high	23 Å²	23	47.2 Å²	47.2	12%	0.123	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-149.2	63	170.3	-172.8	21.9	0	0	0	109.5	A704 C709 G712 S713 K720	A704-N716 HydrophobicContact CB-CB 3.84Å; A704-N716 VanDerWaalsContact CB-CG 3.47Å; C709-N716 HydrophobicContact CB-CB 3.71Å; C709-N716 PolarHBondContact O-ND2 3.03Å; G712-N716 WeakPolarHBondContact CA-O 3.4Å; G712-N716 PolarHBondContact N-O 3.33Å; S713-N716 CarbonylContact O-C 3.07Å; S713-N716 PolarHBondContact O-N 3.05Å; S713-N716 PolarHBondContact OG-N 3.12Å; N716-K720 WeakPolarHBondContact OD1-CE 3.43Å; N716-K720 PolarHBondContact OD1-NZ 2.87Å
717	P	94.1	Very high	92.3	Very high	19 Å²	19	48.6 Å²	48.6	12%	0.123	29%	0.288	C	S	.	.			trans	-61	158.1	176.9	30.8	-38.4	0	0	0	110.5	R698 E719 K720	R698-P717 HydrophobicContact CB-CG 4.22Å; R698-P717 WeakPolarHBondContact O-CD 3.42Å; P717-E719 WeakPolarHBondContact CB-O 3.43Å; P717-E719 WeakPolarHBondContact CG-O 3.41Å; P717-K720 HydrophobicContact CG-CG 4.28Å; P717-K720 WeakPolarHBondContact O-CE 3.35Å
718	V	94.9	Very high	92.3	Very high	120 Å²	120	51 Å²	51	73%	0.727	30%	0.303	S	S	*	.	S	Bend	trans	-71.7	-45.4	177.9	178.2	0	0	0	0	110.7
719	E	93.7	Very high	92.3	Very high	158 Å²	158	46.2 Å²	46.2	74%	0.738	28%	0.279	S	S	*	.	S	Bend	trans	-87.6	128.6	172.3	-60.4	-67.9	156.6	0	0	108.3	P717	P717-E719 WeakPolarHBondContact CB-O 3.43Å; P717-E719 WeakPolarHBondContact CG-O 3.41Å
720	K	95.3	Very high	92.5	Very high	47 Å²	47	48.8 Å²	48.8	20%	0.204	30%	0.295	C	S	.	.			trans	-126.9	132.2	-179.7	-68.8	171.7	178.7	-100.8	0	109.2	R698 N699 D701 N716 P717 V722	R698-K720 PolarHBondContact O-NZ 3.23Å; N699-K720 HydrophobicContact CB-CB 4.41Å; N699-K720 WeakPolarHBondContact OD1-CA 3.43Å; D701-K720 VanDerWaalsContact OD1-CD 3.26Å; D701-K720 WeakPolarHBondContact OD1-CD 3.08Å; D701-K720 WeakPolarHBondContact OD1-CE 3.28Å; D701-K720 IonicContact OD1-NZ 3.98Å; D701-K720 PolarHBondContact OD1-NZ 3.1Å; N716-K720 WeakPolarHBondContact OD1-CE 3.43Å; N716-K720 PolarHBondContact OD1-NZ 2.87Å; P717-K720 HydrophobicContact CG-CG 4.28Å; P717-K720 WeakPolarHBondContact O-CE 3.35Å; K720-V722 HydrophobicContact CB-CG2 4.43Å
721	C	94.7	Very high	92.5	Very high	10 Å²	10	48.1 Å²	48.1	7%	0.068	29%	0.288	C	S	.	.			trans	-93.8	107.4	177.8	-58.1	0	0	0	0	109.2	C594 M595 N699	C594-C721 HydrophobicContact CB-CB 3.77Å; C594-C721 WeakPolarHBondContact CB-SG 3.2Å; C594-C721 PolarHBondContact O-SG 3.08Å; C594-C721 WeakPolarHBondContact SG-CA 3.41Å; C594-C721 WeakPolarHBondContact SG-CB 3.26Å; C594-C721 CovalentContact SG-SG 2.06Å; C594-C721 PolarHBondContact SG-SG 2.7Å; M595-C721 HydrophobicContact CB-CB 4.46Å; N699-C721 WeakPolarHBondContact CB-O 3.33Å; N699-C721 PolarHBondContact ND2-O 2.82Å; N699-C721 VanDerWaalsContact ND2-O 3.07Å; N699-C721 PolarHBondContact OD1-N 2.7Å
722	V	92.5	Very high	92.5	Very high	45 Å²	45	42.7 Å²	42.7	27%	0.273	25%	0.252	S	S	.	.			trans	-131.7	118.3	-178.8	-177.8	0	0	0	0	109	K591 N699 K720 W724	K591-V722 PolarHBondContact NZ-O 2.61Å; N699-V722 HydrophobicContact CB-CG2 4.09Å; K720-V722 HydrophobicContact CB-CG2 4.43Å; V722-W724 WeakPolarHBondContact CG1-O 3.25Å
723	V	91.7	Very high	92.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	23%	0.228	C	C	.	.			trans	-87.6	-64.1	173.2	-177.4	0	0	0	0	109.4	W425 F588 K591 V592 M595 I623	W425-V723 PolarHBondContact NE1-O 3.28Å; W425-V723 VanDerWaalsContact NE1-O 3.14Å; F588-V723 HydrophobicContact CD2-CG1 3.8Å; F588-V723 HydrophobicContact CE2-CG1 3.59Å; K591-V723 HydrophobicContact CB-CG2 4.05Å; V592-V723 HydrophobicContact CG2-CG2 4.24Å; M595-V723 HydrophobicContact CE-CG2 3.84Å; I623-V723 HydrophobicContact CG2-CG1 4.48Å
724	W	91.4	Very high	92.9	Very high	14 Å²	14	45 Å²	45	5%	0.053	24%	0.243	C	C	.	.			trans	-98.7	0	-179.4	-58.8	117.3	0	0	0	111.5	F416 I419 V420 W425 M426 T560 L563 W580 F588 V722	F416-W724 HydrophobicContact CE1-CB 4.28Å; F416-W724 HydrophobicContact CE1-CD2 4.4Å; F416-W724 HydrophobicContact CE1-CG 4.21Å; F416-W724 HydrophobicContact CZ-CB 4.15Å; F416-W724 HydrophobicContact CZ-CG 4.3Å; I419-W724 HydrophobicContact CG2-CB 4.09Å; I419-W724 HydrophobicContact CG2-CE3 4.41Å; I419-W724 WeakPolarHBondContact CG2-OXT 3.47Å; V420-W724 HydrophobicContact CG2-CZ3 4.33Å; W425-W724 AromaticContact CH2-CH2 3.5Å; W425-W724 HydrophobicContact CH2-CH2 3.5Å; W425-W724 VanDerWaalsContact CH2-CH2 3.5Å; W425-W724 HydrophobicContact CH2-CZ2 4.15Å; W425-W724 AromaticContact CH2-CZ3 3.9Å; W425-W724 HydrophobicContact CH2-CZ3 3.9Å; W425-W724 HydrophobicContact CZ2-CE3 4.02Å; W425-W724 AromaticContact CZ2-CH2 3.48Å; W425-W724 HydrophobicContact CZ2-CH2 3.48Å; W425-W724 VanDerWaalsContact CZ2-CH2 3.48Å; W425-W724 HydrophobicContact CZ2-CZ2 4.13Å; W425-W724 AromaticContact CZ2-CZ3 3.43Å; W425-W724 HydrophobicContact CZ2-CZ3 3.43Å; W425-W724 VanDerWaalsContact CZ2-CZ3 3.43Å; M426-W724 HydrophobicContact SD-CH2 4.12Å; M426-W724 HydrophobicContact SD-CZ3 3.75Å; T560-W724 VanDerWaalsContact CG2-CD1 3.46Å; T560-W724 HydrophobicContact CG2-CG 4.34Å; L563-W724 HydrophobicContact CB-CH2 4.11Å; L563-W724 HydrophobicContact CB-CZ2 3.52Å; L563-W724 HydrophobicContact CD1-CH2 4.36Å; L563-W724 HydrophobicContact CD1-CZ2 4.44Å; L563-W724 HydrophobicContact CD1-CZ3 4.43Å; L563-W724 WeakPolarHBondContact O-CZ2 3.39Å; L563-W724 PolarHBondContact O-NE1 2.56Å; W580-W724 AromaticContact CH2-CH2 3.47Å; W580-W724 HydrophobicContact CH2-CH2 3.47Å; W580-W724 VanDerWaalsContact CH2-CH2 3.47Å; W580-W724 AromaticContact CH2-CZ2 3.66Å; W580-W724 HydrophobicContact CH2-CZ2 3.66Å; W580-W724 AromaticContact CZ2-CH2 3.84Å; W580-W724 HydrophobicContact CZ2-CH2 3.84Å; W580-W724 HydrophobicContact CZ2-CZ2 4.25Å; W580-W724 HydrophobicContact CZ3-CH2 4.49Å; F588-W724 HydrophobicContact CD2-CZ2 4.03Å; F588-W724 AromaticContact CE2-CZ2 3.73Å; F588-W724 HydrophobicContact CE2-CZ2 3.73Å; V722-W724 WeakPolarHBondContact CG1-O 3.25Å

Retrieved 724 of 724 residues in 6172.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).