A0A077ZM53_TRITR Loading...

Catalase

Catalyzes the degradation of hydrogen peroxide (H(2)O(2)) generated by peroxisomal oxidases to water and oxygen, thereby protecting cells from the toxic effects of hydrogen peroxide. Occurs in almost all aerobically respiring organisms and serves to protect cells from the toxic effects of hydrogen peroxide.

AlphaFold DB , UniProt , Accession A0A077ZM53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 728 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.5	Low	85	Confident	240 Å²	240	116.7 Å²	116.7	100%	1.182	65%	0.647	S	S	*	*				0	134.1	0	-64.2	-171.5	-143.1	0	0	105.7
2	D	79.6	Confident	85.2	Confident	152 Å²	152	119.3 Å²	119.3	81%	0.813	64%	0.639	S	S	*	*			trans	-63.9	155.3	172.7	-60.3	-35	0	0	0	109.4	L4	D2-L4 PolarHBondContact O-N 2.75Å
3	S	85	Confident	85.4	Confident	95 Å²	95	113.1 Å²	113.1	66%	0.664	61%	0.61	S	S	*	*			trans	-57.5	127.5	175	176.8	0	0	0	0	109.3	A5	S3-A5 VanDerWaalsContact C-N 3.29Å; S3-A5 PolarHBondContact OG-N 3.17Å; S3-A5 VanDerWaalsContact OG-N 3.17Å; S3-A5 PolarHBondContact OG-O 3.14Å
4	L	89.7	Confident	85.6	Confident	176 Å²	176	106.8 Å²	106.8	92%	0.921	58%	0.581	S	S	*	*			trans	-82.2	-13.3	170.4	-62	178.9	0	0	0	112.1	D2	D2-L4 PolarHBondContact O-N 2.75Å
5	A	91.7	Very high	86.1	Confident	29 Å²	29	103.9 Å²	103.9	24%	0.24	58%	0.577	C	S	.	*	S	Bend	trans	-82.8	150.1	178.8	0	0	0	0	0	110.8	S3 E7	S3-A5 VanDerWaalsContact C-N 3.29Å; S3-A5 PolarHBondContact OG-N 3.17Å; S3-A5 VanDerWaalsContact OG-N 3.17Å; S3-A5 PolarHBondContact OG-O 3.14Å; A5-E7 PolarHBondContact O-N 3.21Å
6	P	91.7	Very high	86.6	Confident	68 Å²	68	104.9 Å²	104.9	44%	0.442	58%	0.576	S	S	.	*			trans	-50.6	135.4	171.6	-27.4	35.9	0	0	0	111.9	D8 G9	P6-D8 WeakPolarHBondContact CB-OD1 3.18Å; P6-D8 PolarHBondContact O-N 3.48Å; P6-G9 PolarHBondContact O-N 3.31Å
7	E	90.6	Very high	87.1	Confident	206 Å²	206	104.2 Å²	104.2	96%	0.963	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-22.5	-178.8	-67	-173.4	170.5	0	0	112.9	A5 G9	A5-E7 PolarHBondContact O-N 3.21Å; E7-G9 PolarHBondContact O-N 2.97Å
8	D	88.7	Confident	87.5	Confident	123 Å²	123	99 Å²	99	66%	0.658	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-6.3	179.2	67.7	4.8	0	0	0	114	P6 S10	P6-D8 WeakPolarHBondContact CB-OD1 3.18Å; P6-D8 PolarHBondContact O-N 3.48Å; D8-S10 PolarHBondContact O-N 3.35Å; D8-S10 WeakPolarHBondContact OD1-CB 3.37Å; D8-S10 PolarHBondContact OD1-N 3.3Å; D8-S10 PolarHBondContact OD1-OG 3.44Å; D8-S10 PolarHBondContact OD2-OG 3.07Å
9	G	83.1	Confident	87.8	Confident	27 Å²	27	97.6 Å²	97.6	28%	0.278	55%	0.545	S	S	.	.			trans	73.1	7.9	179.3	0	0	0	0	0	114.6	P6 E7 H11 R12	P6-G9 PolarHBondContact O-N 3.31Å; E7-G9 PolarHBondContact O-N 2.97Å; G9-H11 PolarHBondContact O-N 3.2Å; G9-R12 WeakPolarHBondContact O-CB 3.5Å; G9-R12 PolarHBondContact O-N 3.13Å
10	S	84	Confident	88.2	Confident	75 Å²	75	93.7 Å²	93.7	52%	0.524	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.9	-178.5	55.4	0	0	0	0	114.5	D8 R12	D8-S10 PolarHBondContact O-N 3.35Å; D8-S10 WeakPolarHBondContact OD1-CB 3.37Å; D8-S10 PolarHBondContact OD1-N 3.3Å; D8-S10 PolarHBondContact OD1-OG 3.44Å; D8-S10 PolarHBondContact OD2-OG 3.07Å; S10-R12 VanDerWaalsContact C-N 3.26Å; S10-R12 PolarHBondContact O-N 3.5Å
11	H	85.9	Confident	88.2	Confident	93 Å²	93	91.6 Å²	91.6	43%	0.431	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.4	174.4	68.9	-78.5	0	0	0	113.9	G9	G9-H11 PolarHBondContact O-N 3.2Å
12	R	86.5	Confident	89.3	Confident	147 Å²	147	83.4 Å²	83.4	56%	0.555	49%	0.494	S	S	*	.	S	Bend	trans	-89.5	132.7	-177.4	-63.5	-175.2	172	-163.3	-13.8	110.6	G9 S10 E51	G9-R12 WeakPolarHBondContact O-CB 3.5Å; G9-R12 PolarHBondContact O-N 3.13Å; S10-R12 VanDerWaalsContact C-N 3.26Å; S10-R12 PolarHBondContact O-N 3.5Å; R12-E51 IonicContact NH2-OE1 3.86Å; R12-E51 PolarHBondContact NH2-OE1 2.92Å
13	P	87.6	Confident	89.8	Confident	39 Å²	39	79 Å²	79	25%	0.253	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-66.9	141.2	169.9	30.6	-34.7	0	0	0	109.6	A26 L30 K31	P13-A26 HydrophobicContact CB-CB 3.64Å; P13-A26 HydrophobicContact CG-CB 3.73Å; P13-L30 HydrophobicContact CG-CB 4.09Å; P13-K31 HydrophobicContact CB-CD 4.4Å
14	A	89.4	Confident	90	Very high	25 Å²	25	78.7 Å²	78.7	21%	0.207	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-73.6	131.8	169.6	0	0	0	0	0	109.5	E16 Q23 K31	A14-E16 HydrophobicContact CB-CG 3.95Å; A14-E16 PolarHBondContact O-N 3.5Å; A14-Q23 VanDerWaalsContact CB-OE1 3.32Å; A14-K31 WeakPolarHBondContact O-CD 3.45Å; A14-K31 PolarHBondContact O-NZ 3.33Å
15	A	93.3	Very high	90.3	Very high	63 Å²	63	73.6 Å²	73.6	52%	0.521	44%	0.441	S	S	.	.	S	Bend	trans	-81.3	47.1	177.7	0	0	0	0	0	111.7	K31 P33	A15-K31 CarbonylContact C-O 3.58Å; A15-P33 HydrophobicContact CB-CG 4.13Å
16	E	93.4	Very high	90.5	Very high	120 Å²	120	72.6 Å²	72.6	56%	0.561	43%	0.432	S	S	*	.	S	Bend	trans	-142.8	160.5	179.6	67	-175	172.2	0	0	110	A14 T18	A14-E16 HydrophobicContact CB-CG 3.95Å; A14-E16 PolarHBondContact O-N 3.5Å; E16-T18 HydrophobicContact CG-CG2 4.43Å; E16-T18 PolarHBondContact O-N 2.93Å
17	P	94.9	Very high	90.7	Very high	94 Å²	94	71.6 Å²	71.6	61%	0.61	43%	0.426	S	S	*	.			trans	-60.7	129.2	176.3	-24.8	34.9	0	0	0	112.3	E302	P17-E302 CarbonylContact C-O 3.44Å; P17-E302 WeakPolarHBondContact CA-O 3.39Å
18	T	94.3	Very high	91.1	Very high	10 Å²	10	61.9 Å²	61.9	6%	0.061	38%	0.38	C	S	.	.			trans	-129	143.6	179.4	56	0	0	0	0	111.8	E16 Q23 K31 E302 A303	E16-T18 HydrophobicContact CG-CG2 4.43Å; E16-T18 PolarHBondContact O-N 2.93Å; T18-Q23 HydrophobicContact CG2-CG 4.23Å; T18-K31 VanDerWaalsContact OG1-CE 3.3Å; T18-K31 WeakPolarHBondContact OG1-CE 3.28Å; T18-K31 PolarHBondContact OG1-NZ 2.88Å; T18-E302 PolarHBondContact N-O 3.47Å; T18-A303 VanDerWaalsContact O-CA 3.25Å; T18-A303 WeakPolarHBondContact O-CA 3.18Å; T18-A303 WeakPolarHBondContact O-CB 3.1Å
19	P	93.6	Very high	91.5	Very high	72 Å²	72	57.8 Å²	57.8	47%	0.468	36%	0.362	S	S	.	.			trans	-56.5	151.6	176.8	-23.8	33.3	0	0	0	112.9	G21 A22	P19-G21 PolarHBondContact O-N 3.37Å; P19-A22 HydrophobicContact CB-CB 4.17Å; P19-A22 HydrophobicContact CG-CB 4.47Å; P19-A22 VanDerWaalsContact O-CB 3.3Å; P19-A22 WeakPolarHBondContact O-CB 3.3Å; P19-A22 PolarHBondContact O-N 2.98Å
20	P	94.8	Very high	92.1	Very high	19 Å²	19	61 Å²	61	12%	0.123	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	125	178.2	-28.7	36.7	0	0	0	113.1	A22 E299 A303 H604	P20-A22 PolarHBondContact O-N 3.07Å; P20-E299 HydrophobicContact CB-CB 3.96Å; P20-E299 HydrophobicContact CB-CG 4.5Å; P20-E299 WeakPolarHBondContact CB-OE2 3.33Å; P20-E299 HydrophobicContact CG-CB 4.34Å; P20-A303 HydrophobicContact CG-CB 4.46Å; P20-H604 WeakPolarHBondContact CD-ND1 3.32Å; P20-H604 HydrophobicContact CG-CB 4.44Å
21	G	89.4	Confident	92.7	Very high	50 Å²	50	57.8 Å²	57.8	52%	0.515	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	1	179.6	0	0	0	0	0	116.3	P19 Q23	P19-G21 PolarHBondContact O-N 3.37Å; G21-Q23 VanDerWaalsContact C-N 3.35Å
22	A	88.2	Confident	93.2	Very high	68 Å²	68	54.6 Å²	54.6	56%	0.562	34%	0.338	S	S	*	.	S	Bend	trans	-75.2	-25.2	178.7	0	0	0	0	0	113.2	P19 P20	P19-A22 HydrophobicContact CB-CB 4.17Å; P19-A22 HydrophobicContact CG-CB 4.47Å; P19-A22 VanDerWaalsContact O-CB 3.3Å; P19-A22 WeakPolarHBondContact O-CB 3.3Å; P19-A22 PolarHBondContact O-N 2.98Å; P20-A22 PolarHBondContact O-N 3.07Å
23	Q	89.9	Confident	93.6	Very high	60 Å²	60	50.1 Å²	50.1	28%	0.28	33%	0.328	S	S	.	.	S	Bend	trans	-134.6	158.6	173.8	-76.4	-169.6	1.4	0	0	109.3	A14 T18 G21 T25	A14-Q23 VanDerWaalsContact CB-OE1 3.32Å; T18-Q23 HydrophobicContact CG2-CG 4.23Å; G21-Q23 VanDerWaalsContact C-N 3.35Å; Q23-T25 PolarHBondContact O-N 3.36Å
24	P	90.2	Very high	94.1	Very high	89 Å²	89	55.4 Å²	55.4	58%	0.578	35%	0.354	S	S	*	.			trans	-59.2	136.5	169.3	26.3	-34.4	0	0	0	110.1
25	T	94.3	Very high	94.5	Very high	69 Å²	69	55.7 Å²	55.7	42%	0.423	35%	0.354	S	S	.	.			trans	-60.4	144.7	171.3	53.3	0	0	0	0	110.5	Q23 W298 E299 E302	Q23-T25 PolarHBondContact O-N 3.36Å; T25-W298 HydrophobicContact CG2-CG 4.45Å; T25-E299 HydrophobicContact CG2-CG 4.03Å; T25-E302 WeakPolarHBondContact CA-OE1 3.39Å
26	A	95.8	Very high	94.7	Very high	8 Å²	8	59.8 Å²	59.8	7%	0.066	36%	0.356	C	S	.	.			trans	-138.6	159.8	-176.7	0	0	0	0	0	112.9	P13 L30 K31 W298 E302	P13-A26 HydrophobicContact CB-CB 3.64Å; P13-A26 HydrophobicContact CG-CB 3.73Å; A26-L30 HydrophobicContact CB-CB 4.48Å; A26-K31 HydrophobicContact CB-CB 4.33Å; A26-K31 HydrophobicContact CB-CD 4.47Å; A26-W298 VanDerWaalsContact O-CZ2 3.25Å; A26-W298 WeakPolarHBondContact O-CZ2 3.42Å; A26-W298 PolarHBondContact O-NE1 3.19Å; A26-E302 PolarHBondContact N-OE1 3.34Å
27	P	97.7	Very high	95	Very high	47 Å²	47	54.8 Å²	54.8	31%	0.305	33%	0.333	S	S	.	.			trans	-46.4	141.5	168.9	-29.8	36.2	0	0	0	112.7	S29 L30 K31 D355	P27-S29 PolarHBondContact O-N 2.92Å; P27-S29 VanDerWaalsContact O-N 3.17Å; P27-L30 HydrophobicContact CB-CD1 4.46Å; P27-L30 HydrophobicContact CB-CG 4.34Å; P27-L30 HydrophobicContact CG-CD1 4.21Å; P27-L30 PolarHBondContact O-N 3.27Å; P27-K31 PolarHBondContact O-N 3.11Å; P27-D355 HydrophobicContact CB-CB 4.43Å
28	G	97.9	Very high	95.2	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-58.5	-31.3	-177.2	0	0	0	0	0	114.4	L30 A32 R352 N353 P354 D355	G28-L30 VanDerWaalsContact C-N 3.29Å; G28-L30 PolarHBondContact O-N 3.32Å; G28-A32 CarbonylContact O-C 3.47Å; G28-A32 VanDerWaalsContact O-C 3.26Å; G28-A32 WeakPolarHBondContact O-CA 3.13Å; G28-A32 PolarHBondContact O-N 3.36Å; G28-R352 PolarHBondContact O-NE 3.03Å; G28-N353 WeakPolarHBondContact CA-O 3.09Å; G28-P354 PolarHBondContact N-O 3.26Å; G28-D355 PolarHBondContact N-OD1 2.83Å
29	S	97.2	Very high	95.4	Very high	38 Å²	38	54.7 Å²	54.7	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-68.6	-23.2	174.1	56.7	0	0	0	0	114.4	P27 P33 R352 D355	P27-S29 PolarHBondContact O-N 2.92Å; P27-S29 VanDerWaalsContact O-N 3.17Å; S29-P33 WeakPolarHBondContact O-CB 3.21Å; S29-R352 VanDerWaalsContact CB-NH2 3.29Å; S29-D355 WeakPolarHBondContact CA-OD1 3.26Å; S29-D355 WeakPolarHBondContact CB-OD1 3.5Å; S29-D355 PolarHBondContact N-OD1 2.8Å; S29-D355 VanDerWaalsContact OG-CG 3.29Å; S29-D355 PolarHBondContact OG-OD1 2.77Å
30	L	96	Very high	95.6	Very high	94 Å²	94	51.3 Å²	51.3	49%	0.492	30%	0.301	S	S	.	.	H	α-helix	trans	-92.3	-41.6	176	-61.6	-176.3	0	0	0	111.2	P13 A26 P27 G28	P13-L30 HydrophobicContact CG-CB 4.09Å; A26-L30 HydrophobicContact CB-CB 4.48Å; P27-L30 HydrophobicContact CB-CD1 4.46Å; P27-L30 HydrophobicContact CB-CG 4.34Å; P27-L30 HydrophobicContact CG-CD1 4.21Å; P27-L30 PolarHBondContact O-N 3.27Å; G28-L30 VanDerWaalsContact C-N 3.29Å; G28-L30 PolarHBondContact O-N 3.32Å
31	K	96.2	Very high	95.8	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.035	31%	0.312	C	S	.	.	H	α-helix	trans	-80.1	-34.9	-177	-161.6	76.8	-178.5	176.1	0	113.5	P13 A14 A15 T18 A26 P27 E302	P13-K31 HydrophobicContact CB-CD 4.4Å; A14-K31 WeakPolarHBondContact O-CD 3.45Å; A14-K31 PolarHBondContact O-NZ 3.33Å; A15-K31 CarbonylContact C-O 3.58Å; T18-K31 VanDerWaalsContact OG1-CE 3.3Å; T18-K31 WeakPolarHBondContact OG1-CE 3.28Å; T18-K31 PolarHBondContact OG1-NZ 2.88Å; A26-K31 HydrophobicContact CB-CB 4.33Å; A26-K31 HydrophobicContact CB-CD 4.47Å; P27-K31 PolarHBondContact O-N 3.11Å; K31-E302 HydrophobicContact CD-CG 4.4Å; K31-E302 WeakPolarHBondContact CE-OE2 3.26Å; K31-E302 HydrophobicContact CG-CB 4.17Å; K31-E302 HydrophobicContact CG-CG 3.78Å; K31-E302 IonicContact NZ-OE2 3.27Å
32	A	96.5	Very high	96.3	Very high	26 Å²	26	53 Å²	53	22%	0.215	30%	0.301	C	S	.	.			trans	-137.6	57.1	-176.8	0	0	0	0	0	112.4	G28 D34 T35	G28-A32 CarbonylContact O-C 3.47Å; G28-A32 VanDerWaalsContact O-C 3.26Å; G28-A32 WeakPolarHBondContact O-CA 3.13Å; G28-A32 PolarHBondContact O-N 3.36Å; A32-D34 PolarHBondContact O-N 3.22Å; A32-T35 PolarHBondContact O-N 3.39Å; A32-T35 VanDerWaalsContact O-N 3.09Å
33	P	95.7	Very high	96.8	Very high	52 Å²	52	50.1 Å²	50.1	34%	0.338	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-35.4	-176.8	22	-32.6	0	0	0	113.4	A15 S29 T35	A15-P33 HydrophobicContact CB-CG 4.13Å; S29-P33 WeakPolarHBondContact O-CB 3.21Å; P33-T35 VanDerWaalsContact C-N 3.28Å; P33-T35 PolarHBondContact O-N 2.94Å
34	D	97	Very high	97.2	Very high	150 Å²	150	52.2 Å²	52.2	80%	0.802	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.8	-178	-63.6	-29.4	0	0	0	113.3	A32 R36	A32-D34 PolarHBondContact O-N 3.22Å; D34-R36 PolarHBondContact O-N 3.4Å
35	T	98.2	Very high	97.6	Very high	32 Å²	32	52.4 Å²	52.4	20%	0.196	28%	0.282	C	S	.	.			trans	-82.3	106.7	175.4	-62.5	0	0	0	0	109.7	A32 P33 N351 R352	A32-T35 PolarHBondContact O-N 3.39Å; A32-T35 VanDerWaalsContact O-N 3.09Å; P33-T35 VanDerWaalsContact C-N 3.28Å; P33-T35 PolarHBondContact O-N 2.94Å; T35-N351 HydrophobicContact CG2-CB 4.1Å; T35-N351 VanDerWaalsContact CG2-CG 3.4Å; T35-N351 WeakPolarHBondContact CG2-ND2 3.39Å; T35-R352 HydrophobicContact CG2-CB 4.04Å; T35-R352 VanDerWaalsContact O-CD 3.26Å; T35-R352 WeakPolarHBondContact O-CD 3.46Å; T35-R352 PolarHBondContact O-NH1 3Å
36	R	98.2	Very high	97.8	Very high	148 Å²	148	52 Å²	52	56%	0.558	28%	0.28	S	S	*	.			trans	-130	153.9	-174	-52	-169.4	80.1	-171.2	7.4	111.8	D34 N41	D34-R36 PolarHBondContact O-N 3.4Å; R36-N41 PolarHBondContact NE-OD1 2.82Å; R36-N41 PolarHBondContact NH2-OD1 3.26Å; R36-N41 VanDerWaalsContact NH2-OD1 3.08Å
37	N	98.7	Very high	97.9	Very high	16 Å²	16	53.8 Å²	53.8	9%	0.086	29%	0.285	C	S	.	.			trans	-148.5	173.5	165.3	64.9	35	0	0	0	107.8	K39 L40 N41 G111 P136	N37-K39 VanDerWaalsContact C-N 3.3Å; N37-K39 PolarHBondContact O-N 2.77Å; N37-K39 PolarHBondContact OD1-N 2.88Å; N37-K39 VanDerWaalsContact OD1-N 3.11Å; N37-L40 PolarHBondContact O-N 2.83Å; N37-L40 WeakPolarHBondContact OD1-CB 3.15Å; N37-L40 WeakPolarHBondContact OD1-CG 3.43Å; N37-L40 PolarHBondContact OD1-N 3.44Å; N37-N41 PolarHBondContact O-N 3.06Å; N37-N41 PolarHBondContact O-ND2 2.99Å; N37-N41 PolarHBondContact O-OD1 2.61Å; N37-G111 PolarHBondContact ND2-O 2.58Å; N37-P136 HydrophobicContact CB-CB 4.34Å; N37-P136 HydrophobicContact CB-CG 4.33Å
38	E	98.7	Very high	97.9	Very high	101 Å²	101	60.2 Å²	60.2	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-57	-42.6	-177.6	-172.1	-174.1	-160.2	0	0	112.5	N41 S42 P136 T412	E38-N41 WeakPolarHBondContact O-CB 3.41Å; E38-N41 PolarHBondContact O-N 3.42Å; E38-S42 PolarHBondContact O-N 3.15Å; E38-P136 HydrophobicContact CB-CG 3.91Å; E38-T412 HydrophobicContact CG-CG2 4.25Å
39	K	98.9	Very high	97.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-44.8	179.2	179	62	-179.8	-177.1	0	112.7	N37 N41 S42 L43 P136 Y165 P407 I408 R410 T412	N37-K39 VanDerWaalsContact C-N 3.3Å; N37-K39 PolarHBondContact O-N 2.77Å; N37-K39 PolarHBondContact OD1-N 2.88Å; N37-K39 VanDerWaalsContact OD1-N 3.11Å; K39-N41 VanDerWaalsContact C-N 3.26Å; K39-N41 PolarHBondContact O-N 3.45Å; K39-S42 PolarHBondContact O-N 3.29Å; K39-S42 PolarHBondContact O-OG 3.08Å; K39-L43 WeakPolarHBondContact O-CG 3.5Å; K39-L43 PolarHBondContact O-N 3.46Å; K39-P136 HydrophobicContact CB-CB 3.6Å; K39-P136 HydrophobicContact CB-CG 4.19Å; K39-Y165 HydrophobicContact CB-CD2 4.01Å; K39-Y165 HydrophobicContact CB-CE2 4.27Å; K39-Y165 HydrophobicContact CB-CG 4.32Å; K39-Y165 HydrophobicContact CD-CD1 3.78Å; K39-Y165 HydrophobicContact CD-CD2 4.17Å; K39-Y165 HydrophobicContact CD-CE1 3.62Å; K39-Y165 HydrophobicContact CD-CE2 4.03Å; K39-Y165 HydrophobicContact CD-CG 4.05Å; K39-Y165 VanDerWaalsContact CE-CZ 3.44Å; K39-Y165 HydrophobicContact CG-CD1 4.37Å; K39-Y165 HydrophobicContact CG-CD2 3.84Å; K39-Y165 HydrophobicContact CG-CE1 4.18Å; K39-Y165 HydrophobicContact CG-CE2 3.63Å; K39-Y165 HydrophobicContact CG-CG 4.2Å; K39-P407 PolarHBondContact NZ-O 3.18Å; K39-I408 VanDerWaalsContact CE-O 3.25Å; K39-I408 WeakPolarHBondContact CE-O 3.36Å; K39-I408 PolarHBondContact NZ-O 3.29Å; K39-R410 PolarHBondContact NZ-O 2.85Å; K39-T412 HydrophobicContact CB-CG2 4.22Å; K39-T412 HydrophobicContact CD-CG2 4.07Å
40	L	98.8	Very high	97.7	Very high	1 Å²	1	66 Å²	66	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-62.6	-36.3	176.9	-76.9	167.5	0	0	0	111.4	N37 L43 R47 H110 R352	N37-L40 PolarHBondContact O-N 2.83Å; N37-L40 WeakPolarHBondContact OD1-CB 3.15Å; N37-L40 WeakPolarHBondContact OD1-CG 3.43Å; N37-L40 PolarHBondContact OD1-N 3.44Å; L40-L43 PolarHBondContact O-N 2.9Å; L40-R47 PolarHBondContact O-NH1 3.37Å; L40-H110 HydrophobicContact CD1-CB 4.37Å; L40-H110 HydrophobicContact CD2-CB 4.18Å; L40-H110 HydrophobicContact CG-CB 4.4Å; L40-R352 HydrophobicContact CD1-CB 4.35Å
41	N	98.7	Very high	97.5	Very high	65 Å²	65	67.4 Å²	67.4	35%	0.348	36%	0.362	S	S	.	.	H	α-helix	trans	-68	-39.8	175.2	-63.3	-13.7	0	0	0	111.2	R36 N37 E38 K39 L43 E44	R36-N41 PolarHBondContact NE-OD1 2.82Å; R36-N41 PolarHBondContact NH2-OD1 3.26Å; R36-N41 VanDerWaalsContact NH2-OD1 3.08Å; N37-N41 PolarHBondContact O-N 3.06Å; N37-N41 PolarHBondContact O-ND2 2.99Å; N37-N41 PolarHBondContact O-OD1 2.61Å; E38-N41 WeakPolarHBondContact O-CB 3.41Å; E38-N41 PolarHBondContact O-N 3.42Å; K39-N41 VanDerWaalsContact C-N 3.26Å; K39-N41 PolarHBondContact O-N 3.45Å; N41-L43 PolarHBondContact O-N 3.23Å; N41-L43 VanDerWaalsContact O-N 3.15Å; N41-E44 VanDerWaalsContact O-CB 3.3Å; N41-E44 WeakPolarHBondContact O-CB 3.19Å; N41-E44 PolarHBondContact O-N 3.26Å; N41-E44 VanDerWaalsContact O-N 3.12Å
42	S	98.6	Very high	97.4	Very high	41 Å²	41	75 Å²	75	29%	0.287	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-1.6	176.2	81.8	0	0	0	0	114.1	E38 K39 D45 R410	E38-S42 PolarHBondContact O-N 3.15Å; K39-S42 PolarHBondContact O-N 3.29Å; K39-S42 PolarHBondContact O-OG 3.08Å; S42-D45 VanDerWaalsContact O-OD1 3.04Å; S42-R410 PolarHBondContact O-NH2 3.38Å
43	L	98.8	Very high	97.4	Very high	7 Å²	7	82.4 Å²	82.4	4%	0.037	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-5.2	172.6	-66.8	173.6	0	0	0	112.2	K39 L40 N41 D45 V46 R47 P407 I408	K39-L43 WeakPolarHBondContact O-CG 3.5Å; K39-L43 PolarHBondContact O-N 3.46Å; L40-L43 PolarHBondContact O-N 2.9Å; N41-L43 PolarHBondContact O-N 3.23Å; N41-L43 VanDerWaalsContact O-N 3.15Å; L43-D45 VanDerWaalsContact C-N 3.28Å; L43-D45 PolarHBondContact O-N 2.74Å; L43-V46 WeakPolarHBondContact O-CG2 3.44Å; L43-V46 PolarHBondContact O-N 2.75Å; L43-R47 PolarHBondContact O-N 2.9Å; L43-P407 HydrophobicContact CD2-CB 3.57Å; L43-P407 WeakPolarHBondContact CD2-O 3.27Å; L43-I408 HydrophobicContact CD1-CD1 4.34Å
44	E	98.5	Very high	97.5	Very high	103 Å²	103	82.4 Å²	82.4	48%	0.481	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.7	-178	-161.3	61.5	-144.4	0	0	112.9	N41 V46 R47	N41-E44 VanDerWaalsContact O-CB 3.3Å; N41-E44 WeakPolarHBondContact O-CB 3.19Å; N41-E44 PolarHBondContact O-N 3.26Å; N41-E44 VanDerWaalsContact O-N 3.12Å; E44-V46 PolarHBondContact O-N 2.74Å; E44-R47 PolarHBondContact O-N 3.32Å; E44-R47 WeakPolarHBondContact OE2-CD 3.27Å; E44-R47 IonicContact OE2-CZ 3.26Å; E44-R47 IonicContact OE2-NE 2.76Å; E44-R47 IonicContact OE2-NH1 2.89Å; E44-R47 PolarHBondContact OE2-NH1 3.33Å
45	D	98.4	Very high	97.5	Very high	93 Å²	93	79.9 Å²	79.9	50%	0.497	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.7	177.6	65.7	-37.8	0	0	0	113.1	S42 L43 R410	S42-D45 VanDerWaalsContact O-OD1 3.04Å; L43-D45 VanDerWaalsContact C-N 3.28Å; L43-D45 PolarHBondContact O-N 2.74Å; D45-R410 VanDerWaalsContact CG-NH2 3.33Å; D45-R410 IonicContact OD1-CZ 3.84Å; D45-R410 IonicContact OD1-NH2 2.73Å; D45-R410 PolarHBondContact OD1-NH2 3.37Å; D45-R410 IonicContact OD2-CZ 2.6Å; D45-R410 IonicContact OD2-NH1 2.88Å; D45-R410 PolarHBondContact OD2-NH1 3.04Å; D45-R410 IonicContact OD2-NH2 3.66Å; D45-R410 PolarHBondContact OD2-NH2 2.83Å
46	V	98.6	Very high	97.5	Very high	62 Å²	62	81.2 Å²	81.2	38%	0.376	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-7.8	-178.2	-63.1	0	0	0	0	114	L43 E44 P407	L43-V46 WeakPolarHBondContact O-CG2 3.44Å; L43-V46 PolarHBondContact O-N 2.75Å; E44-V46 PolarHBondContact O-N 2.74Å; V46-P407 HydrophobicContact CB-CG 4.16Å; V46-P407 HydrophobicContact CG1-CB 4.41Å; V46-P407 HydrophobicContact CG1-CG 3.76Å; V46-P407 HydrophobicContact CG2-CB 3.74Å; V46-P407 HydrophobicContact CG2-CG 3.8Å
47	R	98.3	Very high	97.6	Very high	45 Å²	45	74.4 Å²	74.4	17%	0.17	40%	0.4	C	S	.	.			trans	-63.5	140	173.4	-77.6	-171.1	-178.5	94.8	13.2	110.4	L40 L43 E44 D355	L40-R47 PolarHBondContact O-NH1 3.37Å; L43-R47 PolarHBondContact O-N 2.9Å; E44-R47 PolarHBondContact O-N 3.32Å; E44-R47 WeakPolarHBondContact OE2-CD 3.27Å; E44-R47 IonicContact OE2-CZ 3.26Å; E44-R47 IonicContact OE2-NE 2.76Å; E44-R47 IonicContact OE2-NH1 2.89Å; E44-R47 PolarHBondContact OE2-NH1 3.33Å; R47-D355 IonicContact CZ-OD2 3.9Å; R47-D355 IonicContact NE-OD2 2.83Å; R47-D355 PolarHBondContact NE-OD2 3.27Å; R47-D355 IonicContact NH2-OD2 2.65Å; R47-D355 PolarHBondContact NH2-OD2 3.44Å
48	K	98	Very high	97.6	Very high	181 Å²	181	79 Å²	79	79%	0.787	42%	0.424	S	S	*	.			trans	-124.3	109.6	176.4	-61	-65.4	154.2	-165.6	0	109.3
49	G	95.9	Very high	97.6	Very high	62 Å²	62	81.4 Å²	81.4	64%	0.639	44%	0.436	S	S	*	.			trans	-72.7	169.3	167.2	0	0	0	0	0	111.5
50	S	95	Very high	97.5	Very high	100 Å²	100	83.8 Å²	83.8	70%	0.699	46%	0.46	S	S	*	.			trans	-131.9	-29.3	-176	56.2	0	0	0	0	113.8	N52 Y53	S50-N52 PolarHBondContact O-N 2.97Å; S50-Y53 PolarHBondContact O-N 3.1Å
51	E	92	Very high	97.5	Very high	122 Å²	122	87 Å²	87	57%	0.57	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	131.7	-179.8	-68.2	-166.4	171.9	0	0	111.6	R12 Y53	R12-E51 IonicContact NH2-OE1 3.86Å; R12-E51 PolarHBondContact NH2-OE1 2.92Å; E51-Y53 VanDerWaalsContact O-CD2 3.27Å; E51-Y53 WeakPolarHBondContact O-CD2 3.38Å; E51-Y53 PolarHBondContact O-N 2.66Å
52	N	93.6	Very high	97.5	Very high	167 Å²	167	93.5 Å²	93.5	89%	0.893	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	13.1	178.2	-50.1	-64	0	0	0	116.2	S50	S50-N52 PolarHBondContact O-N 2.97Å
53	Y	96.7	Very high	97.5	Very high	183 Å²	183	92.9 Å²	92.9	72%	0.718	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-91.7	148.6	170.7	-70.6	-84.1	0	0	0	111.8	S50 E51	S50-Y53 PolarHBondContact O-N 3.1Å; E51-Y53 VanDerWaalsContact O-CD2 3.27Å; E51-Y53 WeakPolarHBondContact O-CD2 3.38Å; E51-Y53 PolarHBondContact O-N 2.66Å
54	A	97.3	Very high	97.5	Very high	52 Å²	52	97.9 Å²	97.9	43%	0.43	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-75.9	144	168.5	0	0	0	0	0	109.7	T56 R62	A54-T56 PolarHBondContact O-N 3.26Å; A54-R62 HydrophobicContact CB-CG 4.17Å
55	L	98.3	Very high	97.5	Very high	97 Å²	97	96.6 Å²	96.6	51%	0.508	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-66	127.6	167.2	-179.8	64.5	0	0	0	109.2	I63 D66	L55-I63 HydrophobicContact CD2-CB 4.31Å; L55-I63 HydrophobicContact CD2-CD1 4.31Å; L55-I63 HydrophobicContact CD2-CG2 4.43Å; L55-I63 HydrophobicContact CG-CB 4.3Å; L55-I63 HydrophobicContact CG-CD1 4.1Å; L55-I63 PolarHBondContact O-N 3.01Å; L55-D66 HydrophobicContact CD2-CB 3.7Å
56	T	98.7	Very high	97.5	Very high	60 Å²	60	94.9 Å²	94.9	37%	0.368	52%	0.522	S	S	.	.	B	Isolated β-bridge	trans	-130.5	163.3	179.7	63.8	0	0	0	0	112.1	A54 V61 R62	A54-T56 PolarHBondContact O-N 3.26Å; T56-V61 CarbonylContact C-O 3.22Å; T56-V61 WeakPolarHBondContact CA-O 3.15Å; T56-V61 WeakPolarHBondContact CB-O 3.44Å; T56-R62 HydrophobicContact CG2-CG 4.31Å
57	T	98.7	Very high	97.4	Very high	4 Å²	4	99.4 Å²	99.4	3%	0.025	54%	0.539	C	S	.	.			trans	-63.1	167.8	156.7	65.8	0	0	0	0	110.4	Q59 G60 V61 I63 F83 I84 E87	T57-Q59 PolarHBondContact O-N 3.13Å; T57-Q59 PolarHBondContact OG1-N 3.42Å; T57-G60 PolarHBondContact O-N 3.06Å; T57-G60 PolarHBondContact OG1-N 3.36Å; T57-V61 HydrophobicContact CG2-CB 4.15Å; T57-V61 PolarHBondContact N-O 2.95Å; T57-V61 WeakPolarHBondContact OG1-CB 3.3Å; T57-V61 PolarHBondContact OG1-N 3.18Å; T57-I63 HydrophobicContact CG2-CD1 4.37Å; T57-I63 HydrophobicContact CG2-CG1 4.26Å; T57-F83 HydrophobicContact CG2-CE2 4.19Å; T57-I84 HydrophobicContact CG2-CG1 4.06Å; T57-E87 VanDerWaalsContact CA-OE2 3.27Å; T57-E87 WeakPolarHBondContact CA-OE2 3.22Å; T57-E87 WeakPolarHBondContact CB-OE2 3.47Å
58	N	98.5	Very high	97.4	Very high	113 Å²	113	102 Å²	102	60%	0.604	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-18.4	173.2	-67.3	-27.9	0	0	0	112.3	G60 E87	N58-G60 VanDerWaalsContact C-N 3.33Å; N58-E87 PolarHBondContact N-OE2 3.33Å
59	Q	98.7	Very high	97.5	Very high	151 Å²	151	94.8 Å²	94.8	71%	0.706	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	2.6	173.7	-45.9	-50.2	-46.2	0	0	113.5	T57 E87	T57-Q59 PolarHBondContact O-N 3.13Å; T57-Q59 PolarHBondContact OG1-N 3.42Å; Q59-E87 PolarHBondContact NE2-OE1 2.68Å
60	G	98.3	Very high	97.6	Very high	50 Å²	50	95.6 Å²	95.6	52%	0.515	52%	0.518	S	S	.	.	S	Bend	trans	82.5	12.5	179	0	0	0	0	0	115.4	T57 N58	T57-G60 PolarHBondContact O-N 3.06Å; T57-G60 PolarHBondContact OG1-N 3.36Å; N58-G60 VanDerWaalsContact C-N 3.33Å
61	V	98.7	Very high	97.8	Very high	70 Å²	70	95.8 Å²	95.8	42%	0.424	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-80.7	123.8	176.1	-177.4	0	0	0	0	109.2	T56 T57 I63	T56-V61 CarbonylContact C-O 3.22Å; T56-V61 WeakPolarHBondContact CA-O 3.15Å; T56-V61 WeakPolarHBondContact CB-O 3.44Å; T57-V61 HydrophobicContact CG2-CB 4.15Å; T57-V61 PolarHBondContact N-O 2.95Å; T57-V61 WeakPolarHBondContact OG1-CB 3.3Å; T57-V61 PolarHBondContact OG1-N 3.18Å; V61-I63 PolarHBondContact O-N 3.18Å
62	R	98.7	Very high	98	Very high	200 Å²	200	92.9 Å²	92.9	76%	0.755	50%	0.5	S	S	*	.	B	Isolated β-bridge	trans	-62.1	134	177.8	-64.1	-175.9	-178.5	-167.5	-0.6	111.4	A54 T56	A54-R62 HydrophobicContact CB-CG 4.17Å; T56-R62 HydrophobicContact CG2-CG 4.31Å
63	I	98.6	Very high	98.1	Very high	29 Å²	29	87.2 Å²	87.2	15%	0.149	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-92.4	123.1	177.3	-61.1	178.2	0	0	0	108.9	L55 T57 V61 D66 I84	L55-I63 HydrophobicContact CD2-CB 4.31Å; L55-I63 HydrophobicContact CD2-CD1 4.31Å; L55-I63 HydrophobicContact CD2-CG2 4.43Å; L55-I63 HydrophobicContact CG-CB 4.3Å; L55-I63 HydrophobicContact CG-CD1 4.1Å; L55-I63 PolarHBondContact O-N 3.01Å; T57-I63 HydrophobicContact CG2-CD1 4.37Å; T57-I63 HydrophobicContact CG2-CG1 4.26Å; V61-I63 PolarHBondContact O-N 3.18Å; I63-D66 HydrophobicContact CG2-CB 4.03Å; I63-I84 HydrophobicContact CD1-CG2 3.66Å; I63-I84 HydrophobicContact CG1-CD1 4.4Å; I63-I84 HydrophobicContact CG1-CG2 3.99Å; I63-I84 HydrophobicContact CG2-CG2 4.31Å
64	A	97.9	Very high	98.1	Very high	112 Å²	112	86 Å²	86	93%	0.926	49%	0.487	S	S	*	.	S	Bend	trans	-82.5	-40.6	178.8	0	0	0	0	0	112.6
65	D	98.3	Very high	98.1	Very high	75 Å²	75	94.9 Å²	94.9	40%	0.401	51%	0.51	S	S	.	.			trans	-136.3	110.6	179.9	-176.1	-4.6	0	0	0	108.9	Q67 N68	D65-Q67 WeakPolarHBondContact OD1-CA 3.47Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.42Å; D65-Q67 WeakPolarHBondContact OD1-CG 3.41Å; D65-Q67 PolarHBondContact OD1-N 3.02Å; D65-N68 PolarHBondContact OD1-N 3.29Å; D65-N68 PolarHBondContact OD2-ND2 3.02Å
66	D	98.2	Very high	98	Very high	57 Å²	57	91.2 Å²	91.2	31%	0.305	50%	0.495	S	S	.	.	S	Bend	trans	-96.3	6.9	175.8	-166.6	43.1	0	0	0	112.5	L55 I63 K88	L55-D66 HydrophobicContact CD2-CB 3.7Å; I63-D66 HydrophobicContact CG2-CB 4.03Å; D66-K88 IonicContact OD1-NZ 3.8Å; D66-K88 PolarHBondContact OD1-NZ 2.94Å; D66-K88 IonicContact OD2-NZ 3.77Å; D66-K88 PolarHBondContact OD2-NZ 2.74Å
67	Q	98.1	Very high	98	Very high	158 Å²	158	92.8 Å²	92.8	74%	0.738	51%	0.506	S	S	*	.	S	Bend	trans	-97.5	-24.9	-176.1	-45	-52.8	-48.8	0	0	112	D65	D65-Q67 WeakPolarHBondContact OD1-CA 3.47Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.42Å; D65-Q67 WeakPolarHBondContact OD1-CG 3.41Å; D65-Q67 PolarHBondContact OD1-N 3.02Å
68	N	98	Very high	98	Very high	100 Å²	100	95.7 Å²	95.7	54%	0.535	52%	0.524	S	S	.	.			trans	-126.8	135.6	-172.6	-64	-74.4	0	0	0	112.4	D65	D65-N68 PolarHBondContact OD1-N 3.29Å; D65-N68 PolarHBondContact OD2-ND2 3.02Å
69	S	98.5	Very high	98	Very high	29 Å²	29	92.6 Å²	92.6	20%	0.203	51%	0.507	C	S	.	.			trans	-64.2	150.7	158	-43.9	0	0	0	0	110.6	R71 D82	S69-R71 PolarHBondContact O-N 3.44Å; S69-D82 WeakPolarHBondContact CA-OD2 3.41Å
70	L	98.6	Very high	98	Very high	79 Å²	79	92.5 Å²	92.5	41%	0.414	51%	0.511	S	S	.	.			trans	-69.2	127.4	166.6	-179.2	66.2	0	0	0	110.2	T78 L79 E81 D82	L70-T78 WeakPolarHBondContact O-CA 3.34Å; L70-L79 HydrophobicContact CD2-CD1 4.43Å; L70-L79 HydrophobicContact CG-CB 4.49Å; L70-L79 HydrophobicContact CG-CD1 4.22Å; L70-L79 PolarHBondContact O-N 3.32Å; L70-E81 HydrophobicContact CD2-CG 3.55Å; L70-D82 HydrophobicContact CB-CB 3.88Å; L70-D82 WeakPolarHBondContact CB-OD2 3.41Å; L70-D82 PolarHBondContact N-OD2 3.11Å
71	R	98.5	Very high	98	Very high	104 Å²	104	96.7 Å²	96.7	39%	0.392	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-135.7	153.7	-174.2	-61	170.5	-163.7	-83	-0	111.5	S69 G73 P77 T78	S69-R71 PolarHBondContact O-N 3.44Å; R71-G73 VanDerWaalsContact CB-O 3.27Å; R71-G73 WeakPolarHBondContact CB-O 3.22Å; R71-G73 PolarHBondContact O-N 2.93Å; R71-P77 CarbonylContact C-O 3.34Å; R71-P77 WeakPolarHBondContact CA-O 3.37Å; R71-P77 WeakPolarHBondContact CB-O 3.4Å; R71-T78 PolarHBondContact NH1-OG1 3.06Å; R71-T78 VanDerWaalsContact NH1-OG1 3.17Å
72	A	97.9	Very high	98	Very high	60 Å²	60	94 Å²	94	50%	0.496	50%	0.5	S	S	.	.	S	Bend	trans	-74	72.6	170.1	0	0	0	0	0	111.6	G76 P77 L79	A72-G76 WeakPolarHBondContact O-CA 3.05Å; A72-P77 HydrophobicContact CB-CG 4.2Å; A72-P77 PolarHBondContact N-O 3.42Å; A72-L79 HydrophobicContact CB-CD2 4.07Å
73	G	95.9	Very high	98	Very high	48 Å²	48	89.5 Å²	89.5	50%	0.495	49%	0.486	S	S	.	.	S	Bend	trans	91.7	157.6	-170	0	0	0	0	0	112.1	R71 R75 G76	R71-G73 VanDerWaalsContact CB-O 3.27Å; R71-G73 WeakPolarHBondContact CB-O 3.22Å; R71-G73 PolarHBondContact O-N 2.93Å; G73-R75 PolarHBondContact O-N 2.92Å; G73-G76 PolarHBondContact O-N 2.98Å
74	N	95.3	Very high	98	Very high	158 Å²	158	90 Å²	90	85%	0.845	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-10.1	-172.9	66.8	-1.9	0	0	0	115.2
75	R	96.7	Very high	98	Very high	239 Å²	239	87.2 Å²	87.2	90%	0.902	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.3	18.7	171.1	-65.5	-177.6	69.9	-148.9	2.3	112.5	G73	G73-R75 PolarHBondContact O-N 2.92Å
76	G	97.4	Very high	98	Very high	19 Å²	19	88.8 Å²	88.8	20%	0.196	46%	0.458	C	S	.	.	S	Bend	trans	-88.6	176.9	-179.5	0	0	0	0	0	113.9	A72 G73	A72-G76 WeakPolarHBondContact O-CA 3.05Å; G73-G76 PolarHBondContact O-N 2.98Å
77	P	98.3	Very high	98.1	Very high	93 Å²	93	88.1 Å²	88.1	60%	0.604	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-64.8	149.1	173.4	29.4	-36.6	0	0	0	111.6	R71 A72	R71-P77 CarbonylContact C-O 3.34Å; R71-P77 WeakPolarHBondContact CA-O 3.37Å; R71-P77 WeakPolarHBondContact CB-O 3.4Å; A72-P77 HydrophobicContact CB-CG 4.2Å; A72-P77 PolarHBondContact N-O 3.42Å
78	T	98.6	Very high	98.1	Very high	66 Å²	66	85.7 Å²	85.7	41%	0.405	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-66.2	140.6	169.5	-59.1	0	0	0	0	110.5	L70 R71 L85	L70-T78 WeakPolarHBondContact O-CA 3.34Å; R71-T78 PolarHBondContact NH1-OG1 3.06Å; R71-T78 VanDerWaalsContact NH1-OG1 3.17Å; T78-L85 HydrophobicContact CG2-CD2 3.68Å
79	L	98.3	Very high	98.1	Very high	47 Å²	47	84.6 Å²	84.6	25%	0.246	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-100.5	140.2	-176.5	-56.3	-175	0	0	0	112.1	L70 A72 E81 D82	L70-L79 HydrophobicContact CD2-CD1 4.43Å; L70-L79 HydrophobicContact CG-CB 4.49Å; L70-L79 HydrophobicContact CG-CD1 4.22Å; L70-L79 PolarHBondContact O-N 3.32Å; A72-L79 HydrophobicContact CB-CD2 4.07Å; L79-E81 HydrophobicContact CB-CG 4.03Å; L79-E81 PolarHBondContact O-N 2.73Å; L79-D82 WeakPolarHBondContact O-CB 3.36Å; L79-D82 PolarHBondContact O-N 3.11Å
80	L	98.6	Very high	98.2	Very high	149 Å²	149	86.7 Å²	86.7	78%	0.78	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.6	179.2	-170.9	65.4	0	0	0	112.8	D82 R86	L80-D82 PolarHBondContact O-N 2.71Å; L80-R86 PolarHBondContact O-NE 3.06Å; L80-R86 PolarHBondContact O-NH2 3.03Å
81	E	98.5	Very high	98.2	Very high	139 Å²	139	88.4 Å²	88.4	65%	0.65	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.2	175.7	74.2	-167.3	-89.2	0	0	113.3	L70 L79 F83	L70-E81 HydrophobicContact CD2-CG 3.55Å; L79-E81 HydrophobicContact CB-CG 4.03Å; L79-E81 PolarHBondContact O-N 2.73Å; E81-F83 VanDerWaalsContact C-N 3.35Å; E81-F83 PolarHBondContact O-N 3.25Å
82	D	98.7	Very high	98.2	Very high	14 Å²	14	89.1 Å²	89.1	8%	0.075	46%	0.458	C	S	.	.			trans	-68.7	86.1	175.3	-164.3	-16.5	0	0	0	112.1	S69 L70 L79 L80 I84 L85 R86	S69-D82 WeakPolarHBondContact CA-OD2 3.41Å; L70-D82 HydrophobicContact CB-CB 3.88Å; L70-D82 WeakPolarHBondContact CB-OD2 3.41Å; L70-D82 PolarHBondContact N-OD2 3.11Å; L79-D82 WeakPolarHBondContact O-CB 3.36Å; L79-D82 PolarHBondContact O-N 3.11Å; L80-D82 PolarHBondContact O-N 2.71Å; D82-I84 VanDerWaalsContact C-N 3.32Å; D82-I84 PolarHBondContact OD1-N 2.75Å; D82-L85 HydrophobicContact CB-CB 4.12Å; D82-L85 PolarHBondContact OD1-N 3.25Å; D82-L85 VanDerWaalsContact OD2-CB 3.3Å; D82-L85 WeakPolarHBondContact OD2-CB 3.4Å; D82-R86 WeakPolarHBondContact O-CG 3.49Å; D82-R86 PolarHBondContact O-N 2.67Å; D82-R86 PolarHBondContact O-NE 3.31Å
83	F	98.7	Very high	98.2	Very high	104 Å²	104	91.4 Å²	91.4	46%	0.456	46%	0.461	S	S	.	.	H	α-helix	trans	-73.5	-25.1	178.9	67.6	-87.3	0	0	0	112.9	T57 E81 R86 E87	T57-F83 HydrophobicContact CG2-CE2 4.19Å; E81-F83 VanDerWaalsContact C-N 3.35Å; E81-F83 PolarHBondContact O-N 3.25Å; F83-R86 VanDerWaalsContact CA-NH2 3.33Å; F83-E87 VanDerWaalsContact O-CB 3.26Å; F83-E87 WeakPolarHBondContact O-CB 3.26Å; F83-E87 PolarHBondContact O-N 3.44Å
84	I	98.8	Very high	98.3	Very high	41 Å²	41	96.2 Å²	96.2	21%	0.21	47%	0.471	C	S	.	.	H	α-helix	trans	-68.4	-51.9	178.7	-60.9	175.4	0	0	0	109	T57 I63 D82 R86 E87 K88	T57-I84 HydrophobicContact CG2-CG1 4.06Å; I63-I84 HydrophobicContact CD1-CG2 3.66Å; I63-I84 HydrophobicContact CG1-CD1 4.4Å; I63-I84 HydrophobicContact CG1-CG2 3.99Å; I63-I84 HydrophobicContact CG2-CG2 4.31Å; D82-I84 VanDerWaalsContact C-N 3.32Å; D82-I84 PolarHBondContact OD1-N 2.75Å; I84-R86 PolarHBondContact O-N 3.25Å; I84-E87 PolarHBondContact O-N 3.26Å; I84-K88 WeakPolarHBondContact O-CB 3.28Å; I84-K88 PolarHBondContact O-N 2.84Å; I84-K88 VanDerWaalsContact O-N 3.07Å
85	L	98.7	Very high	98.5	Very high	53 Å²	53	92.2 Å²	92.2	28%	0.277	45%	0.447	S	S	.	.	H	α-helix	trans	-56.8	-51.6	175.2	174.3	68.2	0	0	0	110.8	T78 D82 E87 K88 I89	T78-L85 HydrophobicContact CG2-CD2 3.68Å; D82-L85 HydrophobicContact CB-CB 4.12Å; D82-L85 PolarHBondContact OD1-N 3.25Å; D82-L85 VanDerWaalsContact OD2-CB 3.3Å; D82-L85 WeakPolarHBondContact OD2-CB 3.4Å; L85-E87 PolarHBondContact O-N 2.67Å; L85-K88 PolarHBondContact O-N 2.8Å; L85-I89 HydrophobicContact CD1-CD1 4.39Å; L85-I89 HydrophobicContact CD1-CG1 3.75Å; L85-I89 HydrophobicContact CG-CG1 4.3Å; L85-I89 WeakPolarHBondContact O-CB 3.44Å; L85-I89 VanDerWaalsContact O-CG1 3.27Å; L85-I89 WeakPolarHBondContact O-CG1 3.31Å; L85-I89 PolarHBondContact O-N 3.34Å
86	R	98.8	Very high	98.5	Very high	107 Å²	107	90 Å²	90	40%	0.404	44%	0.438	S	S	.	.	H	α-helix	trans	-60.1	-44.7	-177.2	-78	-172.7	-72.1	95.6	-1.3	112	L80 D82 F83 I84 T90	L80-R86 PolarHBondContact O-NE 3.06Å; L80-R86 PolarHBondContact O-NH2 3.03Å; D82-R86 WeakPolarHBondContact O-CG 3.49Å; D82-R86 PolarHBondContact O-N 2.67Å; D82-R86 PolarHBondContact O-NE 3.31Å; F83-R86 VanDerWaalsContact CA-NH2 3.33Å; I84-R86 PolarHBondContact O-N 3.25Å; R86-T90 WeakPolarHBondContact O-CB 3.42Å; R86-T90 PolarHBondContact O-N 3.38Å; R86-T90 PolarHBondContact O-OG1 2.73Å
87	E	98.9	Very high	98.6	Very high	43 Å²	43	91.6 Å²	91.6	20%	0.201	44%	0.442	C	S	.	.	H	α-helix	trans	-62.9	-48.5	179.6	-171.3	-171.1	-109.6	0	0	111.4	T57 N58 Q59 F83 I84 L85 I89 T90 H91	T57-E87 VanDerWaalsContact CA-OE2 3.27Å; T57-E87 WeakPolarHBondContact CA-OE2 3.22Å; T57-E87 WeakPolarHBondContact CB-OE2 3.47Å; N58-E87 PolarHBondContact N-OE2 3.33Å; Q59-E87 PolarHBondContact NE2-OE1 2.68Å; F83-E87 VanDerWaalsContact O-CB 3.26Å; F83-E87 WeakPolarHBondContact O-CB 3.26Å; F83-E87 PolarHBondContact O-N 3.44Å; I84-E87 PolarHBondContact O-N 3.26Å; L85-E87 PolarHBondContact O-N 2.67Å; E87-I89 PolarHBondContact O-N 3.38Å; E87-T90 PolarHBondContact O-N 2.82Å; E87-H91 PolarHBondContact O-N 3.37Å
88	K	98.8	Very high	98.6	Very high	107 Å²	107	90.7 Å²	90.7	47%	0.465	44%	0.436	S	S	.	.	H	α-helix	trans	-59.4	-46.7	179.3	-176.2	172.2	176.6	175.8	0	112.1	D66 I84 L85 F92	D66-K88 IonicContact OD1-NZ 3.8Å; D66-K88 PolarHBondContact OD1-NZ 2.94Å; D66-K88 IonicContact OD2-NZ 3.77Å; D66-K88 PolarHBondContact OD2-NZ 2.74Å; I84-K88 WeakPolarHBondContact O-CB 3.28Å; I84-K88 PolarHBondContact O-N 2.84Å; I84-K88 VanDerWaalsContact O-N 3.07Å; L85-K88 PolarHBondContact O-N 2.8Å; K88-F92 PolarHBondContact O-N 3.04Å; K88-F92 VanDerWaalsContact O-N 3.15Å
89	I	98.7	Very high	98.6	Very high	77 Å²	77	91.3 Å²	91.3	40%	0.395	43%	0.434	S	S	.	.	H	α-helix	trans	-69.7	-40.3	178.7	-61.5	-60	0	0	0	111.5	L85 E87 H91 F92 D93	L85-I89 HydrophobicContact CD1-CD1 4.39Å; L85-I89 HydrophobicContact CD1-CG1 3.75Å; L85-I89 HydrophobicContact CG-CG1 4.3Å; L85-I89 WeakPolarHBondContact O-CB 3.44Å; L85-I89 VanDerWaalsContact O-CG1 3.27Å; L85-I89 WeakPolarHBondContact O-CG1 3.31Å; L85-I89 PolarHBondContact O-N 3.34Å; E87-I89 PolarHBondContact O-N 3.38Å; I89-H91 VanDerWaalsContact C-N 3.31Å; I89-H91 PolarHBondContact O-N 3.01Å; I89-F92 WeakPolarHBondContact O-CB 3.21Å; I89-F92 PolarHBondContact O-N 2.94Å; I89-F92 VanDerWaalsContact O-N 3.17Å; I89-D93 WeakPolarHBondContact O-CB 3.38Å; I89-D93 VanDerWaalsContact O-CG 3.28Å; I89-D93 PolarHBondContact O-N 3.08Å
90	T	98.8	Very high	98.6	Very high	74 Å²	74	90.2 Å²	90.2	45%	0.454	43%	0.427	S	S	.	.	H	α-helix	trans	-61	-41.6	177.5	-58.9	0	0	0	0	111	R86 E87 H94	R86-T90 WeakPolarHBondContact O-CB 3.42Å; R86-T90 PolarHBondContact O-N 3.38Å; R86-T90 PolarHBondContact O-OG1 2.73Å; E87-T90 PolarHBondContact O-N 2.82Å; T90-H94 PolarHBondContact O-CD2 3.13Å; T90-H94 PolarHBondContact O-N 3.25Å
91	H	98.6	Very high	98.6	Very high	114 Å²	114	88.5 Å²	88.5	53%	0.528	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-43.8	175.8	-168.8	-69.2	0	0	0	111.6	E87 I89 H94 E95	E87-H91 PolarHBondContact O-N 3.37Å; I89-H91 VanDerWaalsContact C-N 3.31Å; I89-H91 PolarHBondContact O-N 3.01Å; H91-H94 CarbonylContact O-C 3.59Å; H91-H94 PolarHBondContact O-N 3.16Å; H91-E95 PolarHBondContact O-N 2.83Å
92	F	98.6	Very high	98.6	Very high	120 Å²	120	82.9 Å²	82.9	53%	0.526	39%	0.393	S	S	.	.	H	α-helix	trans	-58.4	-47.6	176.6	173.3	-98.3	0	0	0	112.4	K88 I89 H94 E95	K88-F92 PolarHBondContact O-N 3.04Å; K88-F92 VanDerWaalsContact O-N 3.15Å; I89-F92 WeakPolarHBondContact O-CB 3.21Å; I89-F92 PolarHBondContact O-N 2.94Å; I89-F92 VanDerWaalsContact O-N 3.17Å; F92-H94 PolarHBondContact O-N 3.11Å; F92-H94 VanDerWaalsContact O-N 3.1Å; F92-E95 WeakPolarHBondContact O-CB 3.34Å; F92-E95 WeakPolarHBondContact O-CG 3.28Å; F92-E95 PolarHBondContact O-N 3.2Å; F92-E95 VanDerWaalsContact O-N 3.15Å
93	D	98.5	Very high	98.6	Very high	108 Å²	108	83.5 Å²	83.5	58%	0.578	40%	0.395	S	S	*	.	H	α-helix	trans	-63.1	-19.2	-178.5	-71.7	-15.2	0	0	0	113	I89	I89-D93 WeakPolarHBondContact O-CB 3.38Å; I89-D93 VanDerWaalsContact O-CG 3.28Å; I89-D93 PolarHBondContact O-N 3.08Å
94	H	98.4	Very high	98.6	Very high	148 Å²	148	78.6 Å²	78.6	69%	0.685	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	17.7	-179.8	-63.9	-57.2	0	0	0	113.8	T90 H91 F92 R96	T90-H94 PolarHBondContact O-CD2 3.13Å; T90-H94 PolarHBondContact O-N 3.25Å; H91-H94 CarbonylContact O-C 3.59Å; H91-H94 PolarHBondContact O-N 3.16Å; F92-H94 PolarHBondContact O-N 3.11Å; F92-H94 VanDerWaalsContact O-N 3.1Å; H94-R96 VanDerWaalsContact C-N 3.31Å; H94-R96 PolarHBondContact O-N 3.5Å
95	E	98.5	Very high	98.6	Very high	74 Å²	74	77.1 Å²	77.1	35%	0.346	37%	0.366	S	S	.	.			trans	-67.1	-27.1	178.9	-77.8	179.6	-176.2	0	0	114.3	H91 F92	H91-E95 PolarHBondContact O-N 2.83Å; F92-E95 WeakPolarHBondContact O-CB 3.34Å; F92-E95 WeakPolarHBondContact O-CG 3.28Å; F92-E95 PolarHBondContact O-N 3.2Å; F92-E95 VanDerWaalsContact O-N 3.15Å
96	R	98.2	Very high	98.6	Very high	192 Å²	192	74.6 Å²	74.6	73%	0.725	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-89.6	127.1	-173.5	-60.2	-63.7	174.2	-84.4	-5.3	110.8	H94	H94-R96 VanDerWaalsContact C-N 3.31Å; H94-R96 PolarHBondContact O-N 3.5Å
97	I	98.6	Very high	98.6	Very high	53 Å²	53	69.7 Å²	69.7	27%	0.272	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-101.5	162	164.5	65	172.6	0	0	0	109.3	E99 F358 E362 Q363 L398	I97-E99 PolarHBondContact O-N 3.3Å; I97-F358 HydrophobicContact CD1-CE2 4.12Å; I97-F358 HydrophobicContact CD1-CZ 3.91Å; I97-F358 HydrophobicContact CG1-CE2 3.88Å; I97-F358 HydrophobicContact CG1-CZ 3.94Å; I97-F358 HydrophobicContact CG2-CZ 3.99Å; I97-E362 HydrophobicContact CD1-CG 4.31Å; I97-Q363 HydrophobicContact CD1-CG 4.3Å; I97-L398 HydrophobicContact CD1-CD2 4.02Å
98	P	98.6	Very high	98.6	Very high	75 Å²	75	67.9 Å²	67.9	49%	0.487	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-55.2	137	171.3	-23.6	34.2	0	0	0	111.2	R397	P98-R397 VanDerWaalsContact O-CG 3.26Å; P98-R397 WeakPolarHBondContact O-CG 3.34Å
99	E	98.5	Very high	98.6	Very high	78 Å²	78	62.8 Å²	62.8	36%	0.364	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-68.7	168.4	167.9	64.6	175.1	-144.7	0	0	110.9	I97 A104 G147 A148	I97-E99 PolarHBondContact O-N 3.3Å; E99-A104 HydrophobicContact CB-CB 4.01Å; E99-A104 HydrophobicContact CG-CB 4.06Å; E99-G147 WeakPolarHBondContact OE1-CA 3.29Å; E99-G147 WeakPolarHBondContact OE2-CA 3.27Å; E99-A148 HydrophobicContact CB-CB 4.46Å; E99-A148 PolarHBondContact OE2-N 3.02Å
100	R	98.7	Very high	98.6	Very high	25 Å²	25	59.1 Å²	59.1	9%	0.094	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-65.3	140.6	170.1	-63.5	165	177.5	72.9	-5	109.7	V102 A104 N361 E362 A364	R100-V102 VanDerWaalsContact C-N 3.26Å; R100-V102 WeakPolarHBondContact CB-O 3.31Å; R100-V102 PolarHBondContact O-N 3.05Å; R100-A104 WeakPolarHBondContact O-CB 3.48Å; R100-N361 PolarHBondContact NH2-O 2.99Å; R100-E362 PolarHBondContact NH1-O 3.41Å; R100-E362 IonicContact NH1-OE1 3.92Å; R100-E362 PolarHBondContact NH1-OE1 3.13Å; R100-E362 IonicContact NH1-OE2 2.89Å; R100-E362 PolarHBondContact NH2-O 3.39Å; R100-A364 PolarHBondContact NH2-O 3.19Å
101	I	98.3	Very high	98.6	Very high	112 Å²	112	55.6 Å²	55.6	57%	0.574	26%	0.264	S	S	*	.	S	Bend	trans	-56.7	-42.5	-179.5	-52.6	-55.4	0	0	0	111.8	K197	I101-K197 WeakPolarHBondContact O-CE 3.34Å; I101-K197 PolarHBondContact O-NZ 3.27Å
102	V	98.3	Very high	98.6	Very high	22 Å²	22	53.3 Å²	53.3	13%	0.133	25%	0.252	C	S	.	.	S	Bend	trans	-127.6	158.8	171.2	-70.8	0	0	0	0	108.3	R100 A104 V144 F189 V193	R100-V102 VanDerWaalsContact C-N 3.26Å; R100-V102 WeakPolarHBondContact CB-O 3.31Å; R100-V102 PolarHBondContact O-N 3.05Å; V102-A104 PolarHBondContact O-N 3.35Å; V102-V144 HydrophobicContact CB-CG1 4.3Å; V102-F189 HydrophobicContact CG2-CE1 4.47Å; V102-F189 HydrophobicContact CG2-CZ 4.26Å; V102-V193 HydrophobicContact CG1-CB 4.48Å; V102-V193 HydrophobicContact CG1-CG1 3.64Å; V102-V193 HydrophobicContact CG1-CG2 3.91Å
103	H	98.7	Very high	98.7	Very high	27 Å²	27	47.6 Å²	47.6	13%	0.125	23%	0.227	C	C	.	.			trans	59.5	32.1	-176.3	-57.4	-103.3	0	0	0	113.8	R140 S142 T143 V144	H103-R140 PolarHBondContact O-NH1 3.31Å; H103-R140 PolarHBondContact O-NH2 3.25Å; H103-S142 PolarHBondContact ND1-OG 2.96Å; H103-T143 WeakPolarHBondContact CA-O 3.47Å; H103-T143 WeakPolarHBondContact CB-O 3.46Å; H103-T143 VanDerWaalsContact CG-O 3.29Å; H103-T143 PolarHBondContact ND1-O 3.17Å; H103-V144 PolarHBondContact N-O 2.94Å
104	A	98.6	Very high	98.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	21%	0.214	C	C	.	.			trans	-61.1	-46.9	178.8	0	0	0	0	0	111.1	E99 R100 V102 G106 R140 A148	E99-A104 HydrophobicContact CB-CB 4.01Å; E99-A104 HydrophobicContact CG-CB 4.06Å; R100-A104 WeakPolarHBondContact O-CB 3.48Å; V102-A104 PolarHBondContact O-N 3.35Å; A104-G106 PolarHBondContact O-N 3.05Å; A104-R140 PolarHBondContact O-NH2 3.23Å; A104-A148 HydrophobicContact CB-CB 4.41Å
105	R	98.8	Very high	98.7	Very high	9 Å²	9	38.7 Å²	38.7	3%	0.034	18%	0.182	C	C	.	.	S	Bend	trans	-76.9	112.8	174.9	178.8	65.8	-172.1	-166.6	1.2	111.1	S142 T143 G147 A148 S150 D152 D291 R294	R105-S142 CarbonylContact O-C 3.55Å; R105-S142 WeakPolarHBondContact O-CA 3.21Å; R105-S142 WeakPolarHBondContact O-CB 3.42Å; R105-T143 WeakPolarHBondContact CB-OG1 3.38Å; R105-T143 PolarHBondContact O-N 2.79Å; R105-G147 WeakPolarHBondContact CB-O 3.27Å; R105-A148 WeakPolarHBondContact CD-O 3.48Å; R105-S150 WeakPolarHBondContact CB-OG 3.26Å; R105-S150 WeakPolarHBondContact CD-O 3.29Å; R105-S150 PolarHBondContact NE-O 3.37Å; R105-D152 IonicContact CZ-OD1 3.77Å; R105-D152 VanDerWaalsContact CZ-OD1 3.26Å; R105-D152 IonicContact NE-OD1 2.7Å; R105-D152 PolarHBondContact NE-OD1 2.9Å; R105-D152 VanDerWaalsContact NH2-CG 3.33Å; R105-D152 IonicContact NH2-OD1 3.66Å; R105-D152 PolarHBondContact NH2-OD1 3.25Å; R105-D152 IonicContact NH2-OD2 3.37Å; R105-D152 PolarHBondContact NH2-OD2 2.92Å; R105-D291 IonicContact CZ-OD1 2.65Å; R105-D291 IonicContact NH1-OD1 3.82Å; R105-D291 PolarHBondContact NH1-OD1 2.93Å; R105-D291 VanDerWaalsContact NH1-OD1 3.15Å; R105-D291 IonicContact NH2-OD1 3.81Å; R105-D291 PolarHBondContact NH2-OD1 3.47Å; R105-R294 VanDerWaalsContact CZ-CZ 3.43Å; R105-R294 VanDerWaalsContact NH1-NH1 3.12Å
106	G	98.7	Very high	98.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	164.9	177.1	0	0	0	0	0	115.1	A104 F141 R294 F357 N361	A104-G106 PolarHBondContact O-N 3.05Å; G106-F141 CarbonylContact C-O 3.55Å; G106-F141 WeakPolarHBondContact CA-O 3.39Å; G106-R294 PolarHBondContact O-NH2 3.43Å; G106-F357 WeakPolarHBondContact O-CZ 3.37Å; G106-N361 PolarHBondContact O-ND2 3.37Å; G106-N361 VanDerWaalsContact O-ND2 3.13Å
107	S	98.9	Very high	98.7	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.8	-175.8	-60.4	0	0	0	0	108.7	F141 R294 N361	S107-F141 PolarHBondContact N-O 3.48Å; S107-F141 PolarHBondContact O-N 2.95Å; S107-R294 WeakPolarHBondContact OG-CA 3.47Å; S107-R294 WeakPolarHBondContact OG-CB 3.47Å; S107-R294 VanDerWaalsContact OG-CG 3.26Å; S107-R294 WeakPolarHBondContact OG-CG 3.19Å; S107-R294 PolarHBondContact OG-NE 3.2Å; S107-N361 WeakPolarHBondContact CA-ND2 3.35Å
108	A	98.9	Very high	98.7	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.1	-168.3	0	0	0	0	0	112.8	F138 V139 R140 P354 N361	A108-F138 HydrophobicContact CB-CE1 3.74Å; A108-F138 HydrophobicContact CB-CE2 3.96Å; A108-F138 HydrophobicContact CB-CZ 3.33Å; A108-V139 CarbonylContact C-O 3.52Å; A108-V139 WeakPolarHBondContact CA-O 3.49Å; A108-V139 WeakPolarHBondContact CB-O 3.32Å; A108-R140 HydrophobicContact CB-CB 4.03Å; A108-R140 HydrophobicContact CB-CG 4.2Å; A108-P354 WeakPolarHBondContact O-CD 3.35Å; A108-N361 HydrophobicContact CB-CB 3.9Å; A108-N361 PolarHBondContact N-ND2 3.24Å
109	A	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	153.8	178.5	0	0	0	0	0	111.4	F138 V139 I301 L350	A109-F138 WeakPolarHBondContact O-CD2 3.22Å; A109-V139 PolarHBondContact N-O 3.26Å; A109-V139 PolarHBondContact O-N 3.11Å; A109-I301 HydrophobicContact CB-CD1 3.44Å; A109-I301 VanDerWaalsContact CB-CD1 3.44Å; A109-L350 HydrophobicContact CB-CB 4.24Å; A109-L350 HydrophobicContact CB-CD1 4.34Å
110	H	99	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	154.3	171.2	-64.4	-92.6	0	0	0	110.9	L40 F138 L350 N351 R352 E360	L40-H110 HydrophobicContact CD1-CB 4.37Å; L40-H110 HydrophobicContact CD2-CB 4.18Å; L40-H110 HydrophobicContact CG-CB 4.4Å; H110-F138 AromaticContact CD2-CD2 3.97Å; H110-F138 AromaticContact CD2-CE2 3.96Å; H110-F138 AromaticContact CE1-CD2 3.59Å; H110-F138 AromaticContact CE1-CE2 3.9Å; H110-F138 AromaticContact CG-CD2 3.83Å; H110-F138 AromaticContact ND1-CD2 3.6Å; H110-F138 AromaticContact NE2-CD2 3.82Å; H110-F138 AromaticContact NE2-CE2 3.7Å; H110-L350 CarbonylContact O-C 3.5Å; H110-L350 WeakPolarHBondContact O-CA 3.49Å; H110-N351 PolarHBondContact O-N 3.11Å; H110-R352 HydrophobicContact CB-CB 4.37Å; H110-R352 WeakPolarHBondContact CB-O 3.33Å; H110-R352 PolarHBondContact N-O 2.65Å; H110-R352 PolarHBondContact O-N 2.97Å; H110-E360 IonicContact CD2-OE1 3.74Å; H110-E360 IonicContact CE1-OE1 2.66Å; H110-E360 PolarHBondContact CE1-OE1 2.89Å; H110-E360 IonicContact NE2-OE1 2.75Å; H110-E360 PolarHBondContact NE2-OE1 3.24Å
111	G	98.9	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	-160.1	178.1	0	0	0	0	0	113.2	N37 V137 V349	N37-G111 PolarHBondContact ND2-O 2.58Å; G111-V137 VanDerWaalsContact C-CG2 3.47Å; G111-V137 PolarHBondContact N-O 3.18Å; G111-V137 PolarHBondContact O-N 3.06Å; G111-V349 CarbonylContact C-O 3.45Å; G111-V349 WeakPolarHBondContact CA-O 3.42Å
112	Y	98.9	Very high	98.8	Very high	66 Å²	66	34.7 Å²	34.7	26%	0.259	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159.7	170.9	66.2	-83.7	0	0	0	111.2	I134 T135 M348 V349	Y112-I134 HydrophobicContact CD2-CG2 3.98Å; Y112-I134 HydrophobicContact CG-CG2 4.08Å; Y112-T135 CarbonylContact C-O 3.56Å; Y112-T135 WeakPolarHBondContact CA-O 3.34Å; Y112-M348 CarbonylContact O-C 3.26Å; Y112-M348 VanDerWaalsContact O-CA 3.3Å; Y112-M348 WeakPolarHBondContact O-CA 3.34Å; Y112-V349 HydrophobicContact CD1-CB 4.3Å; Y112-V349 HydrophobicContact CE1-CB 3.7Å; Y112-V349 HydrophobicContact CE1-CG1 4.17Å; Y112-V349 HydrophobicContact CE1-CG2 4.24Å; Y112-V349 HydrophobicContact CE2-CB 4.47Å; Y112-V349 HydrophobicContact CE2-CG2 4.24Å; Y112-V349 PolarHBondContact N-O 2.8Å; Y112-V349 PolarHBondContact O-N 3.13Å
113	F	99	Very high	98.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.1	172.9	171.2	-96.6	0	0	0	110.3	P115 F127 L128 T135 V137 F164 W268 L311 K347 M348	F113-P115 HydrophobicContact CE1-CB 4.28Å; F113-P115 HydrophobicContact CZ-CB 4.4Å; F113-F127 AromaticContact CD1-CD2 3.9Å; F113-F127 HydrophobicContact CD1-CD2 3.9Å; F113-F127 HydrophobicContact CD1-CE2 4.37Å; F113-F127 AromaticContact CE1-CD2 3.69Å; F113-F127 HydrophobicContact CE1-CD2 3.69Å; F113-F127 AromaticContact CE1-CE2 3.95Å; F113-F127 HydrophobicContact CE1-CE2 3.95Å; F113-L128 HydrophobicContact CE1-CD2 3.84Å; F113-L128 HydrophobicContact CZ-CD2 3.87Å; F113-T135 PolarHBondContact N-O 3.08Å; F113-T135 PolarHBondContact O-N 3.39Å; F113-V137 HydrophobicContact CB-CG1 3.93Å; F113-F164 HydrophobicContact CB-CD1 4.14Å; F113-F164 HydrophobicContact CB-CE1 3.78Å; F113-F164 HydrophobicContact CD1-CD1 4.36Å; F113-F164 AromaticContact CD1-CE1 3.97Å; F113-F164 HydrophobicContact CD1-CE1 3.97Å; F113-F164 HydrophobicContact CD2-CE1 4.09Å; F113-F164 HydrophobicContact CG-CD1 4.3Å; F113-F164 AromaticContact CG-CE1 3.66Å; F113-F164 HydrophobicContact CG-CE1 3.66Å; F113-W268 HydrophobicContact CD2-CH2 4.21Å; F113-L311 HydrophobicContact CE2-CB 3.75Å; F113-L311 HydrophobicContact CE2-CD2 3.72Å; F113-L311 HydrophobicContact CE2-CG 4.41Å; F113-L311 HydrophobicContact CZ-CB 4.41Å; F113-L311 HydrophobicContact CZ-CD2 3.71Å; F113-K347 WeakPolarHBondContact CA-O 3.32Å; F113-K347 WeakPolarHBondContact CD2-O 3.2Å; F113-M348 HydrophobicContact CD2-CB 4.35Å
114	Q	98.9	Very high	98.8	Very high	68 Å²	68	34 Å²	34	32%	0.318	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	126.5	175.7	-171.6	175.3	13.1	0	0	110	P131 G346 K347	Q114-P131 WeakPolarHBondContact CG-O 3.49Å; Q114-P131 PolarHBondContact NE2-O 3.11Å; Q114-G346 CarbonylContact O-C 3.42Å; Q114-G346 WeakPolarHBondContact O-CA 3.19Å; Q114-K347 PolarHBondContact N-O 3.07Å; Q114-K347 PolarHBondContact O-N 3.19Å
115	P	98.8	Very high	98.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.013	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	151.1	174	30.8	-32.7	0	0	0	111.1	F113 F127 L128 D130 P131 V345	F113-P115 HydrophobicContact CE1-CB 4.28Å; F113-P115 HydrophobicContact CZ-CB 4.4Å; P115-F127 WeakPolarHBondContact CG-O 3.39Å; P115-L128 HydrophobicContact CB-CD2 4.35Å; P115-D130 VanDerWaalsContact CG-O 3.28Å; P115-D130 WeakPolarHBondContact CG-O 3.44Å; P115-P131 VanDerWaalsContact O-CA 3.32Å; P115-P131 WeakPolarHBondContact O-CA 3.44Å; P115-V345 CarbonylContact C-O 3.5Å; P115-V345 WeakPolarHBondContact CA-O 3.18Å
116	Y	98.8	Very high	98.8	Very high	104 Å²	104	33.9 Å²	33.9	41%	0.408	17%	0.169	S	C	.	.	S	Bend	trans	-77	-29.9	178.9	-65.5	-44.7	0	0	0	113.4	E310 R344 V345 K347	Y116-E310 WeakPolarHBondContact OH-CG 3.34Å; Y116-E310 PolarHBondContact OH-OE1 3.03Å; Y116-R344 HydrophobicContact CD2-CB 4.38Å; Y116-R344 HydrophobicContact CE2-CB 4.09Å; Y116-V345 PolarHBondContact N-O 2.81Å; Y116-K347 HydrophobicContact CE1-CB 4Å
117	K	98.7	Very high	98.8	Very high	133 Å²	133	34 Å²	34	58%	0.578	17%	0.169	S	C	*	.	S	Bend	trans	-154.1	164.7	177.6	61.6	179.8	-177.7	179.8	0	108.6	L119	K117-L119 HydrophobicContact CG-CD2 4.3Å
118	S	98.6	Very high	98.8	Very high	48 Å²	48	33.9 Å²	33.9	34%	0.336	17%	0.168	S	C	.	.			trans	-60	139.3	169.7	-166.8	0	0	0	0	110.8	S120 L128 S129	S118-S120 PolarHBondContact OG-N 3.4Å; S118-L128 WeakPolarHBondContact CA-O 3.49Å; S118-S129 WeakPolarHBondContact CB-O 3.36Å; S118-S129 PolarHBondContact OG-O 3.46Å
119	L	98.8	Very high	98.8	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.063	17%	0.173	C	C	.	.			trans	-110.1	22.6	172.9	-55	-176.9	0	0	0	112.3	K117 D121 I122 T123 L128 F313 V345	K117-L119 HydrophobicContact CG-CD2 4.3Å; L119-D121 PolarHBondContact O-N 2.73Å; L119-I122 HydrophobicContact CB-CD1 4.3Å; L119-I122 HydrophobicContact CB-CG1 4Å; L119-I122 VanDerWaalsContact O-CG1 3.28Å; L119-I122 WeakPolarHBondContact O-CG1 3.47Å; L119-I122 PolarHBondContact O-N 2.73Å; L119-T123 HydrophobicContact CB-CG2 3.88Å; L119-T123 PolarHBondContact O-N 2.8Å; L119-L128 HydrophobicContact CB-CB 4.23Å; L119-L128 HydrophobicContact CD1-CB 4.02Å; L119-L128 HydrophobicContact CD1-CD1 4.14Å; L119-L128 HydrophobicContact CD1-CD2 3.92Å; L119-L128 HydrophobicContact CD1-CG 4.24Å; L119-L128 HydrophobicContact CG-CB 4.29Å; L119-L128 PolarHBondContact N-O 2.86Å; L119-F313 HydrophobicContact CD1-CD2 4.36Å; L119-F313 HydrophobicContact CD1-CE2 3.72Å; L119-F313 HydrophobicContact CD1-CZ 4.49Å; L119-V345 HydrophobicContact CD1-CB 3.86Å; L119-V345 HydrophobicContact CD1-CG1 3.83Å; L119-V345 HydrophobicContact CD2-CG1 4.29Å
120	S	98.5	Very high	98.8	Very high	57 Å²	57	37.7 Å²	37.7	40%	0.399	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.8	-176.5	53.8	0	0	0	0	114.4	S118 I122 T123	S118-S120 PolarHBondContact OG-N 3.4Å; S120-I122 PolarHBondContact O-N 3.49Å; S120-T123 VanDerWaalsContact CA-O 3.31Å; S120-T123 WeakPolarHBondContact CA-O 3.46Å
121	D	98.6	Very high	98.8	Very high	133 Å²	133	39.9 Å²	39.9	71%	0.711	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.2	-178.8	-61.1	-3.8	0	0	0	112.4	L119 N256	L119-D121 PolarHBondContact O-N 2.73Å; D121-N256 WeakPolarHBondContact O-CB 3.41Å; D121-N256 PolarHBondContact O-ND2 3.48Å
122	I	98.8	Very high	98.8	Very high	38 Å²	38	46 Å²	46	20%	0.195	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-22.1	-176.5	62.2	173.8	0	0	0	113.5	L119 S120 L254 N256 L315	L119-I122 HydrophobicContact CB-CD1 4.3Å; L119-I122 HydrophobicContact CB-CG1 4Å; L119-I122 VanDerWaalsContact O-CG1 3.28Å; L119-I122 WeakPolarHBondContact O-CG1 3.47Å; L119-I122 PolarHBondContact O-N 2.73Å; S120-I122 PolarHBondContact O-N 3.49Å; I122-L254 HydrophobicContact CD1-CD1 3.8Å; I122-L254 HydrophobicContact CG1-CD1 4.16Å; I122-L254 CarbonylContact O-C 3.55Å; I122-L254 VanDerWaalsContact O-CB 3.27Å; I122-L254 WeakPolarHBondContact O-CB 3.47Å; I122-N256 PolarHBondContact O-N 3.3Å; I122-L315 HydrophobicContact CD1-CD1 3.68Å; I122-L315 HydrophobicContact CD1-CD2 4.23Å
123	T	98.9	Very high	98.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	23%	0.23	C	C	.	.			trans	-148.6	141	178.6	-177.2	0	0	0	0	112.3	L119 S120 A125 L128 I255 G374	L119-T123 HydrophobicContact CB-CG2 3.88Å; L119-T123 PolarHBondContact O-N 2.8Å; S120-T123 VanDerWaalsContact CA-O 3.31Å; S120-T123 WeakPolarHBondContact CA-O 3.46Å; T123-A125 VanDerWaalsContact C-N 3.29Å; T123-A125 HydrophobicContact CG2-CB 4.31Å; T123-A125 WeakPolarHBondContact OG1-CB 3.43Å; T123-A125 PolarHBondContact OG1-N 3.11Å; T123-A125 VanDerWaalsContact OG1-N 3.1Å; T123-L128 HydrophobicContact CG2-CB 4.23Å; T123-L128 HydrophobicContact CG2-CD1 3.91Å; T123-I255 CarbonylContact C-O 3.58Å; T123-I255 WeakPolarHBondContact CA-O 3.49Å; T123-G374 PolarHBondContact OG1-O 2.58Å
124	K	98.8	Very high	98.7	Very high	31 Å²	31	48.9 Å²	48.9	14%	0.135	25%	0.254	C	S	.	.			trans	-85.3	5.9	169.1	66.6	-178.2	175.5	-175.2	0	114.2	D126 I255	K124-D126 PolarHBondContact O-N 3.1Å; K124-I255 PolarHBondContact N-O 3.18Å
125	A	98.9	Very high	98.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.			trans	-63.1	119	-179.1	0	0	0	0	0	112.1	T123 F127 L128 V372 P373	T123-A125 VanDerWaalsContact C-N 3.29Å; T123-A125 HydrophobicContact CG2-CB 4.31Å; T123-A125 WeakPolarHBondContact OG1-CB 3.43Å; T123-A125 PolarHBondContact OG1-N 3.11Å; T123-A125 VanDerWaalsContact OG1-N 3.1Å; A125-F127 VanDerWaalsContact C-N 3.33Å; A125-F127 HydrophobicContact CB-CD1 3.97Å; A125-F127 HydrophobicContact CB-CE1 3.81Å; A125-F127 PolarHBondContact O-N 3.03Å; A125-L128 HydrophobicContact CB-CD1 4.3Å; A125-L128 PolarHBondContact O-N 3.41Å; A125-V372 HydrophobicContact CB-CG2 4.33Å; A125-P373 VanDerWaalsContact CA-O 3.25Å; A125-P373 WeakPolarHBondContact CA-O 3.5Å; A125-P373 PolarHBondContact N-O 2.82Å
126	D	98.9	Very high	98.7	Very high	9 Å²	9	46 Å²	46	5%	0.048	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-58.5	-39.5	-169.9	178.9	82.2	0	0	0	113.7	K124 L128 S129 K133 E168 R454	K124-D126 PolarHBondContact O-N 3.1Å; D126-L128 PolarHBondContact O-N 3.45Å; D126-L128 VanDerWaalsContact O-N 3.1Å; D126-S129 VanDerWaalsContact O-CB 3.29Å; D126-S129 WeakPolarHBondContact O-CB 3.43Å; D126-S129 PolarHBondContact O-N 2.9Å; D126-S129 PolarHBondContact O-OG 3.19Å; D126-K133 WeakPolarHBondContact O-CD 3.41Å; D126-K133 IonicContact OD1-NZ 3.36Å; D126-K133 PolarHBondContact OD1-NZ 3.47Å; D126-K133 WeakPolarHBondContact OD2-CD 3.39Å; D126-K133 VanDerWaalsContact OD2-CE 3.24Å; D126-K133 WeakPolarHBondContact OD2-CE 3.41Å; D126-K133 IonicContact OD2-NZ 3.5Å; D126-K133 PolarHBondContact OD2-NZ 2.83Å; D126-E168 HydrophobicContact CB-CB 4.35Å; D126-E168 HydrophobicContact CB-CG 3.72Å; D126-R454 VanDerWaalsContact CG-NH1 3.27Å; D126-R454 IonicContact OD1-CZ 3.67Å; D126-R454 IonicContact OD1-NH1 3.96Å; D126-R454 PolarHBondContact OD1-NH1 3.2Å; D126-R454 IonicContact OD2-NH1 3.74Å
127	F	98.8	Very high	98.8	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-65.8	-13	-179.7	82	-79.5	0	0	0	114.3	F113 P115 A125 T135 F164 T166 F171 V372	F113-F127 AromaticContact CD1-CD2 3.9Å; F113-F127 HydrophobicContact CD1-CD2 3.9Å; F113-F127 HydrophobicContact CD1-CE2 4.37Å; F113-F127 AromaticContact CE1-CD2 3.69Å; F113-F127 HydrophobicContact CE1-CD2 3.69Å; F113-F127 AromaticContact CE1-CE2 3.95Å; F113-F127 HydrophobicContact CE1-CE2 3.95Å; P115-F127 WeakPolarHBondContact CG-O 3.39Å; A125-F127 VanDerWaalsContact C-N 3.33Å; A125-F127 HydrophobicContact CB-CD1 3.97Å; A125-F127 HydrophobicContact CB-CE1 3.81Å; A125-F127 PolarHBondContact O-N 3.03Å; F127-T135 HydrophobicContact CB-CG2 4.35Å; F127-F164 HydrophobicContact CD2-CD1 4.22Å; F127-F164 HydrophobicContact CD2-CE1 4.46Å; F127-F164 HydrophobicContact CE2-CD1 4.24Å; F127-F164 HydrophobicContact CE2-CE1 4.18Å; F127-T166 HydrophobicContact CB-CG2 3.77Å; F127-T166 HydrophobicContact CD1-CG2 4.04Å; F127-T166 HydrophobicContact CG-CG2 4.01Å; F127-F171 AromaticContact CE1-CD1 3.99Å; F127-F171 HydrophobicContact CE1-CD1 3.99Å; F127-F171 HydrophobicContact CE1-CE1 4.47Å; F127-F171 HydrophobicContact CE2-CD1 4.39Å; F127-F171 AromaticContact CZ-CD1 3.71Å; F127-F171 HydrophobicContact CZ-CD1 3.71Å; F127-F171 AromaticContact CZ-CE1 3.86Å; F127-F171 HydrophobicContact CZ-CE1 3.86Å; F127-V372 HydrophobicContact CD1-CG2 4.42Å; F127-V372 HydrophobicContact CE1-CG2 4.29Å
128	L	98.9	Very high	98.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-108.6	5.4	177.1	-63.3	167.2	0	0	0	112.2	F113 P115 S118 L119 T123 A125 D126 F313	F113-L128 HydrophobicContact CE1-CD2 3.84Å; F113-L128 HydrophobicContact CZ-CD2 3.87Å; P115-L128 HydrophobicContact CB-CD2 4.35Å; S118-L128 WeakPolarHBondContact CA-O 3.49Å; L119-L128 HydrophobicContact CB-CB 4.23Å; L119-L128 HydrophobicContact CD1-CB 4.02Å; L119-L128 HydrophobicContact CD1-CD1 4.14Å; L119-L128 HydrophobicContact CD1-CD2 3.92Å; L119-L128 HydrophobicContact CD1-CG 4.24Å; L119-L128 HydrophobicContact CG-CB 4.29Å; L119-L128 PolarHBondContact N-O 2.86Å; T123-L128 HydrophobicContact CG2-CB 4.23Å; T123-L128 HydrophobicContact CG2-CD1 3.91Å; A125-L128 HydrophobicContact CB-CD1 4.3Å; A125-L128 PolarHBondContact O-N 3.41Å; D126-L128 PolarHBondContact O-N 3.45Å; D126-L128 VanDerWaalsContact O-N 3.1Å; L128-F313 HydrophobicContact CD1-CE2 4.18Å; L128-F313 HydrophobicContact CD1-CZ 3.98Å; L128-F313 HydrophobicContact CD2-CZ 4.49Å
129	S	98.7	Very high	98.8	Very high	22 Å²	22	32.5 Å²	32.5	15%	0.154	18%	0.179	C	C	.	.	S	Bend	trans	-90.8	-19.4	-169.1	73.1	0	0	0	0	114.9	S118 D126	S118-S129 WeakPolarHBondContact CB-O 3.36Å; S118-S129 PolarHBondContact OG-O 3.46Å; D126-S129 VanDerWaalsContact O-CB 3.29Å; D126-S129 WeakPolarHBondContact O-CB 3.43Å; D126-S129 PolarHBondContact O-N 2.9Å; D126-S129 PolarHBondContact O-OG 3.19Å
130	D	98.6	Very high	98.8	Very high	63 Å²	63	32.3 Å²	32.3	34%	0.337	18%	0.177	S	C	.	.			trans	-144.4	122.8	-175.5	-179.7	-7.2	0	0	0	110.3	P115 N132 K133	P115-D130 VanDerWaalsContact CG-O 3.28Å; P115-D130 WeakPolarHBondContact CG-O 3.44Å; D130-N132 PolarHBondContact O-N 3.3Å; D130-N132 VanDerWaalsContact O-N 3.14Å; D130-N132 WeakPolarHBondContact OD1-CB 3.24Å; D130-N132 PolarHBondContact OD1-N 3.02Å; D130-N132 PolarHBondContact OD1-ND2 3.4Å; D130-K133 HydrophobicContact CB-CB 4.05Å; D130-K133 WeakPolarHBondContact O-CB 3.17Å; D130-K133 PolarHBondContact O-N 3.08Å
131	P	98.6	Very high	98.8	Very high	47 Å²	47	29.6 Å²	29.6	31%	0.305	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.8	177.7	28	-36.4	0	0	0	114.3	Q114 P115	Q114-P131 WeakPolarHBondContact CG-O 3.49Å; Q114-P131 PolarHBondContact NE2-O 3.11Å; P115-P131 VanDerWaalsContact O-CA 3.32Å; P115-P131 WeakPolarHBondContact O-CA 3.44Å
132	N	98.7	Very high	98.8	Very high	128 Å²	128	23.4 Å²	23.4	68%	0.684	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-7.2	175.4	-56.6	-66	0	0	0	113.1	D130 I134	D130-N132 PolarHBondContact O-N 3.3Å; D130-N132 VanDerWaalsContact O-N 3.14Å; D130-N132 WeakPolarHBondContact OD1-CB 3.24Å; D130-N132 PolarHBondContact OD1-N 3.02Å; D130-N132 PolarHBondContact OD1-ND2 3.4Å; N132-I134 PolarHBondContact O-N 2.79Å
133	K	98.6	Very high	98.8	Very high	28 Å²	28	21.6 Å²	21.6	12%	0.122	12%	0.116	C	C	.	.			trans	-78.9	114.6	180	-173.6	179.7	-72.2	-92.9	0	109.9	D126 D130 E167	D126-K133 WeakPolarHBondContact O-CD 3.41Å; D126-K133 IonicContact OD1-NZ 3.36Å; D126-K133 PolarHBondContact OD1-NZ 3.47Å; D126-K133 WeakPolarHBondContact OD2-CD 3.39Å; D126-K133 VanDerWaalsContact OD2-CE 3.24Å; D126-K133 WeakPolarHBondContact OD2-CE 3.41Å; D126-K133 IonicContact OD2-NZ 3.5Å; D126-K133 PolarHBondContact OD2-NZ 2.83Å; D130-K133 HydrophobicContact CB-CB 4.05Å; D130-K133 WeakPolarHBondContact O-CB 3.17Å; D130-K133 PolarHBondContact O-N 3.08Å; K133-E167 IonicContact NZ-OE1 3.88Å; K133-E167 PolarHBondContact NZ-OE1 3.37Å; K133-E167 IonicContact NZ-OE2 2.74Å; K133-E167 PolarHBondContact NZ-OE2 2.83Å
134	I	98.8	Very high	98.8	Very high	99 Å²	99	22.3 Å²	22.3	51%	0.508	12%	0.12	S	C	.	.	P	Polyproline II helix	trans	-93.2	118.4	175.9	-62.3	178.6	0	0	0	108.2	Y112 N132	Y112-I134 HydrophobicContact CD2-CG2 3.98Å; Y112-I134 HydrophobicContact CG-CG2 4.08Å; N132-I134 PolarHBondContact O-N 2.79Å
135	T	98.9	Very high	98.8	Very high	5 Å²	5	21 Å²	21	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.7	177.4	-59.1	0	0	0	0	109.3	Y112 F113 F127 F164 T166	Y112-T135 CarbonylContact C-O 3.56Å; Y112-T135 WeakPolarHBondContact CA-O 3.34Å; F113-T135 PolarHBondContact N-O 3.08Å; F113-T135 PolarHBondContact O-N 3.39Å; F127-T135 HydrophobicContact CB-CG2 4.35Å; T135-F164 HydrophobicContact CG2-CB 4.05Å; T135-F164 HydrophobicContact CG2-CD1 4.16Å; T135-T166 HydrophobicContact CG2-CG2 4.19Å
136	P	98.9	Very high	98.7	Very high	4 Å²	4	21 Å²	21	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	145.3	173.1	-20	30.5	0	0	0	111	N37 E38 K39 Y165	N37-P136 HydrophobicContact CB-CB 4.34Å; N37-P136 HydrophobicContact CB-CG 4.33Å; E38-P136 HydrophobicContact CB-CG 3.91Å; K39-P136 HydrophobicContact CB-CB 3.6Å; K39-P136 HydrophobicContact CB-CG 4.19Å; P136-Y165 HydrophobicContact CB-CD2 4.05Å; P136-Y165 WeakPolarHBondContact O-CD2 3.27Å; P136-Y165 PolarHBondContact O-N 3.25Å
137	V	99	Very high	98.6	Very high	1 Å²	1	21 Å²	21	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.1	173	-60.1	0	0	0	0	112.5	G111 F113 V139 T162 K163 F164 M348 L350	G111-V137 VanDerWaalsContact C-CG2 3.47Å; G111-V137 PolarHBondContact N-O 3.18Å; G111-V137 PolarHBondContact O-N 3.06Å; F113-V137 HydrophobicContact CB-CG1 3.93Å; V137-V139 HydrophobicContact CG2-CG2 4.44Å; V137-T162 HydrophobicContact CB-CG2 4.13Å; V137-T162 HydrophobicContact CG1-CG2 4.05Å; V137-K163 CarbonylContact C-O 3.57Å; V137-K163 WeakPolarHBondContact CA-O 3.45Å; V137-K163 WeakPolarHBondContact CB-O 3.34Å; V137-F164 HydrophobicContact CG1-CD1 3.61Å; V137-F164 HydrophobicContact CG1-CE1 3.95Å; V137-F164 HydrophobicContact CG1-CG 4.14Å; V137-M348 HydrophobicContact CB-SD 4.48Å; V137-M348 HydrophobicContact CG2-CG 3.9Å; V137-M348 HydrophobicContact CG2-SD 3.87Å; V137-L350 HydrophobicContact CG2-CD2 4.12Å
138	F	99	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.8	163.5	-174.2	-109.1	0	0	0	108.3	A108 A109 H110 K163 Y165 E360 A364 F366 I408	A108-F138 HydrophobicContact CB-CE1 3.74Å; A108-F138 HydrophobicContact CB-CE2 3.96Å; A108-F138 HydrophobicContact CB-CZ 3.33Å; A109-F138 WeakPolarHBondContact O-CD2 3.22Å; H110-F138 AromaticContact CD2-CD2 3.97Å; H110-F138 AromaticContact CD2-CE2 3.96Å; H110-F138 AromaticContact CE1-CD2 3.59Å; H110-F138 AromaticContact CE1-CE2 3.9Å; H110-F138 AromaticContact CG-CD2 3.83Å; H110-F138 AromaticContact ND1-CD2 3.6Å; H110-F138 AromaticContact NE2-CD2 3.82Å; H110-F138 AromaticContact NE2-CE2 3.7Å; F138-K163 PolarHBondContact N-O 2.82Å; F138-K163 PolarHBondContact O-N 3.33Å; F138-Y165 HydrophobicContact CB-CE2 3.9Å; F138-Y165 WeakPolarHBondContact CB-OH 3.37Å; F138-E360 WeakPolarHBondContact CE1-O 3.42Å; F138-E360 HydrophobicContact CE2-CB 4.47Å; F138-E360 HydrophobicContact CZ-CB 4.22Å; F138-E360 WeakPolarHBondContact CZ-O 3.47Å; F138-A364 HydrophobicContact CD1-CB 4.21Å; F138-A364 HydrophobicContact CE1-CB 3.78Å; F138-F366 AromaticContact CD1-CZ 3.84Å; F138-F366 HydrophobicContact CD1-CZ 3.84Å; F138-F366 HydrophobicContact CE1-CZ 4.31Å; F138-F366 WeakPolarHBondContact O-CE1 3.48Å; F138-I408 HydrophobicContact CB-CD1 4.42Å; F138-I408 HydrophobicContact CD1-CD1 4.2Å; F138-I408 HydrophobicContact CD1-CG1 4.05Å; F138-I408 HydrophobicContact CD2-CD1 3.96Å; F138-I408 HydrophobicContact CE1-CD1 4.43Å; F138-I408 HydrophobicContact CE1-CG1 4.1Å; F138-I408 HydrophobicContact CE2-CD1 4.19Å; F138-I408 HydrophobicContact CG-CD1 3.95Å; F138-I408 HydrophobicContact CG-CG1 4.31Å; F138-I408 HydrophobicContact CZ-CD1 4.41Å; F138-I408 HydrophobicContact CZ-CG1 4.4Å
139	V	99	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.4	-176.3	175.6	0	0	0	0	109.5	A108 A109 V137 F141 F160 A161 T162 M348 L350	A108-V139 CarbonylContact C-O 3.52Å; A108-V139 WeakPolarHBondContact CA-O 3.49Å; A108-V139 WeakPolarHBondContact CB-O 3.32Å; A109-V139 PolarHBondContact N-O 3.26Å; A109-V139 PolarHBondContact O-N 3.11Å; V137-V139 HydrophobicContact CG2-CG2 4.44Å; V139-F141 HydrophobicContact CG1-CD1 4.32Å; V139-F141 HydrophobicContact CG1-CD2 4.16Å; V139-F141 HydrophobicContact CG1-CE1 3.86Å; V139-F141 HydrophobicContact CG1-CE2 3.67Å; V139-F141 HydrophobicContact CG1-CG 4.47Å; V139-F141 HydrophobicContact CG1-CZ 3.5Å; V139-F160 HydrophobicContact CG1-CD1 3.85Å; V139-F160 HydrophobicContact CG1-CE1 3.53Å; V139-F160 HydrophobicContact CG2-CE1 4.48Å; V139-A161 CarbonylContact C-O 3.45Å; V139-A161 VanDerWaalsContact CA-O 3.31Å; V139-A161 WeakPolarHBondContact CA-O 3.34Å; V139-T162 HydrophobicContact CG2-CG2 3.86Å; V139-M348 HydrophobicContact CG2-CE 3.91Å; V139-M348 HydrophobicContact CG2-SD 3.55Å; V139-M348 VanDerWaalsContact CG2-SD 3.55Å; V139-L350 HydrophobicContact CB-CD1 3.96Å; V139-L350 HydrophobicContact CB-CD2 4.02Å; V139-L350 HydrophobicContact CG1-CD1 4.21Å; V139-L350 HydrophobicContact CG2-CD1 4.27Å; V139-L350 HydrophobicContact CG2-CD2 3.62Å
140	R	98.9	Very high	98.6	Very high	8 Å²	8	25.4 Å²	25.4	3%	0.03	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.4	170.2	-174.7	176	-177.1	-84.9	3.8	110.1	H103 A104 A108 A161 N361 F366	H103-R140 PolarHBondContact O-NH1 3.31Å; H103-R140 PolarHBondContact O-NH2 3.25Å; A104-R140 PolarHBondContact O-NH2 3.23Å; A108-R140 HydrophobicContact CB-CB 4.03Å; A108-R140 HydrophobicContact CB-CG 4.2Å; R140-A161 PolarHBondContact N-O 2.92Å; R140-A161 PolarHBondContact O-N 3.3Å; R140-N361 WeakPolarHBondContact CD-OD1 3.15Å; R140-N361 PolarHBondContact NE-OD1 3.31Å; R140-F366 HydrophobicContact CB-CE2 3.62Å; R140-F366 HydrophobicContact CB-CZ 3.68Å; R140-F366 HydrophobicContact CG-CE2 4.47Å
141	F	98.9	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	152.1	167.4	-54.1	-76.4	0	0	0	110.1	G106 S107 V139 G159 F160 Y241 M244 L297 Y309 L350	G106-F141 CarbonylContact C-O 3.55Å; G106-F141 WeakPolarHBondContact CA-O 3.39Å; S107-F141 PolarHBondContact N-O 3.48Å; S107-F141 PolarHBondContact O-N 2.95Å; V139-F141 HydrophobicContact CG1-CD1 4.32Å; V139-F141 HydrophobicContact CG1-CD2 4.16Å; V139-F141 HydrophobicContact CG1-CE1 3.86Å; V139-F141 HydrophobicContact CG1-CE2 3.67Å; V139-F141 HydrophobicContact CG1-CG 4.47Å; V139-F141 HydrophobicContact CG1-CZ 3.5Å; F141-G159 CarbonylContact C-O 3.58Å; F141-G159 VanDerWaalsContact CA-O 3.28Å; F141-G159 WeakPolarHBondContact CA-O 3.31Å; F141-F160 HydrophobicContact CD1-CB 4.48Å; F141-F160 HydrophobicContact CD1-CD1 4.06Å; F141-F160 HydrophobicContact CD1-CD2 4.35Å; F141-F160 HydrophobicContact CD1-CE1 4.39Å; F141-F160 HydrophobicContact CD1-CG 4.05Å; F141-F160 AromaticContact CE1-CD1 3.62Å; F141-F160 HydrophobicContact CE1-CD1 3.62Å; F141-F160 AromaticContact CE1-CD2 3.85Å; F141-F160 HydrophobicContact CE1-CD2 3.85Å; F141-F160 AromaticContact CE1-CE1 3.52Å; F141-F160 HydrophobicContact CE1-CE1 3.52Å; F141-F160 AromaticContact CE1-CE2 3.75Å; F141-F160 HydrophobicContact CE1-CE2 3.75Å; F141-F160 AromaticContact CE1-CG 3.79Å; F141-F160 HydrophobicContact CE1-CG 3.79Å; F141-F160 AromaticContact CE1-CZ 3.58Å; F141-F160 HydrophobicContact CE1-CZ 3.58Å; F141-F160 HydrophobicContact CZ-CD1 4.45Å; F141-F160 AromaticContact CZ-CE1 3.99Å; F141-F160 HydrophobicContact CZ-CE1 3.99Å; F141-F160 HydrophobicContact CZ-CZ 4.04Å; F141-Y241 HydrophobicContact CB-CD1 3.55Å; F141-Y241 HydrophobicContact CB-CD2 3.65Å; F141-Y241 HydrophobicContact CB-CE1 3.63Å; F141-Y241 HydrophobicContact CB-CE2 3.73Å; F141-Y241 HydrophobicContact CB-CG 3.55Å; F141-Y241 HydrophobicContact CD1-CD1 4.21Å; F141-Y241 HydrophobicContact CD1-CG 4.08Å; F141-Y241 AromaticContact CD2-CD2 3.89Å; F141-Y241 HydrophobicContact CD2-CD2 3.89Å; F141-Y241 AromaticContact CD2-CG 3.91Å; F141-Y241 HydrophobicContact CD2-CG 3.91Å; F141-Y241 AromaticContact CG-CD1 3.92Å; F141-Y241 HydrophobicContact CG-CD1 3.92Å; F141-Y241 AromaticContact CG-CD2 3.88Å; F141-Y241 HydrophobicContact CG-CD2 3.88Å; F141-Y241 HydrophobicContact CG-CE1 4.49Å; F141-Y241 HydrophobicContact CG-CE2 4.46Å; F141-Y241 AromaticContact CG-CG 3.58Å; F141-Y241 HydrophobicContact CG-CG 3.58Å; F141-M244 HydrophobicContact CD1-CE 3.49Å; F141-M244 VanDerWaalsContact CD1-CE 3.49Å; F141-M244 HydrophobicContact CE1-CE 4Å; F141-M244 HydrophobicContact CG-CE 4.44Å; F141-L297 HydrophobicContact CD2-CD2 3.83Å; F141-L297 HydrophobicContact CE2-CD1 4.22Å; F141-L297 HydrophobicContact CE2-CD2 4.12Å; F141-Y309 HydrophobicContact CZ-CE2 4.04Å; F141-Y309 AromaticContact CZ-CZ 3.85Å; F141-Y309 VanDerWaalsContact CZ-OH 3.28Å; F141-Y309 WeakPolarHBondContact CZ-OH 3.19Å; F141-L350 HydrophobicContact CE2-CD1 3.73Å; F141-L350 HydrophobicContact CZ-CD1 3.85Å
142	S	98.9	Very high	98.6	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.028	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	158.5	-178	47.4	0	0	0	0	112.9	H103 R105 R158 G159	H103-S142 PolarHBondContact ND1-OG 2.96Å; R105-S142 CarbonylContact O-C 3.55Å; R105-S142 WeakPolarHBondContact O-CA 3.21Å; R105-S142 WeakPolarHBondContact O-CB 3.42Å; S142-R158 CarbonylContact O-C 3.49Å; S142-R158 WeakPolarHBondContact O-CA 3.34Å; S142-R158 WeakPolarHBondContact O-CB 3.45Å; S142-R158 WeakPolarHBondContact O-CD 3.44Å; S142-G159 PolarHBondContact N-O 3.31Å; S142-G159 PolarHBondContact O-N 3.37Å; S142-G159 WeakPolarHBondContact OG-CA 3.09Å
143	T	98.7	Very high	98.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	11%	0.105	C	C	.	.			trans	-78.3	-172	155.5	62	0	0	0	0	109	H103 R105 V154	H103-T143 WeakPolarHBondContact CA-O 3.47Å; H103-T143 WeakPolarHBondContact CB-O 3.46Å; H103-T143 VanDerWaalsContact CG-O 3.29Å; H103-T143 PolarHBondContact ND1-O 3.17Å; R105-T143 WeakPolarHBondContact CB-OG1 3.38Å; R105-T143 PolarHBondContact O-N 2.79Å; T143-V154 HydrophobicContact CG2-CG2 3.73Å
144	V	98.6	Very high	98.6	Very high	16 Å²	16	14.1 Å²	14.1	10%	0.097	10%	0.103	C	C	.	.	S	Bend	trans	-114.1	-53.4	178.1	-173	0	0	0	0	111.8	V102 H103 D156 I157	V102-V144 HydrophobicContact CB-CG1 4.3Å; H103-V144 PolarHBondContact N-O 2.94Å; V144-D156 WeakPolarHBondContact CA-OD2 3.26Å; V144-D156 WeakPolarHBondContact CB-OD1 3.34Å; V144-D156 PolarHBondContact N-OD2 3.19Å; V144-I157 HydrophobicContact CG2-CB 3.77Å; V144-I157 HydrophobicContact CG2-CG2 4.16Å; V144-I157 WeakPolarHBondContact CG2-O 3.32Å
145	Q	98.6	Very high	98.6	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.019	8%	0.08	C	C	.	.	S	Bend	trans	-76.9	-48.8	-164.3	-166.5	-88.9	20.7	0	0	112.3	D156 V196 K197 P205 G207 Q208	Q145-D156 PolarHBondContact N-OD2 2.97Å; Q145-V196 HydrophobicContact CG-CG1 4.39Å; Q145-V196 HydrophobicContact CG-CG2 4.19Å; Q145-V196 WeakPolarHBondContact CG-O 3.45Å; Q145-V196 PolarHBondContact NE2-O 3.07Å; Q145-K197 WeakPolarHBondContact O-CD 3.49Å; Q145-K197 VanDerWaalsContact O-CE 3.22Å; Q145-K197 WeakPolarHBondContact O-CE 3.4Å; Q145-K197 PolarHBondContact O-NZ 2.88Å; Q145-P205 PolarHBondContact NE2-O 2.87Å; Q145-G207 VanDerWaalsContact OE1-CA 3.29Å; Q145-Q208 PolarHBondContact NE2-O 3.07Å
146	G	96.6	Very high	98.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-69.9	152.3	-167.6	0	0	0	0	0	114.2	Q206	G146-Q206 VanDerWaalsContact CA-OE1 3.24Å
147	G	97.5	Very high	98.6	Very high	8 Å²	8	10.3 Å²	10.3	8%	0.082	8%	0.082	C	C	.	.			trans	-67	172.3	169.6	0	0	0	0	0	112.6	E99 R105 G149 S150	E99-G147 WeakPolarHBondContact OE1-CA 3.29Å; E99-G147 WeakPolarHBondContact OE2-CA 3.27Å; R105-G147 WeakPolarHBondContact CB-O 3.27Å; G147-G149 PolarHBondContact O-N 3.36Å; G147-S150 WeakPolarHBondContact O-CB 3.45Å; G147-S150 PolarHBondContact O-N 3.47Å; G147-S150 PolarHBondContact O-OG 2.85Å; G147-S150 VanDerWaalsContact O-OG 3.13Å
148	A	98.2	Very high	98.6	Very high	34 Å²	34	10.2 Å²	10.2	28%	0.281	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.8	-172.5	0	0	0	0	0	114.8	E99 A104 R105	E99-A148 HydrophobicContact CB-CB 4.46Å; E99-A148 PolarHBondContact OE2-N 3.02Å; A104-A148 HydrophobicContact CB-CB 4.41Å; R105-A148 WeakPolarHBondContact CD-O 3.48Å
149	G	98.4	Very high	98.6	Very high	76 Å²	76	10.3 Å²	10.3	78%	0.784	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	6.9	175.3	0	0	0	0	0	115.6	G147	G147-G149 PolarHBondContact O-N 3.36Å
150	S	98.8	Very high	98.6	Very high	8 Å²	8	10.4 Å²	10.4	6%	0.056	8%	0.083	C	C	.	.	S	Bend	trans	-70.1	166.6	174.5	76.4	0	0	0	0	111.9	R105 G147	R105-S150 WeakPolarHBondContact CB-OG 3.26Å; R105-S150 WeakPolarHBondContact CD-O 3.29Å; R105-S150 PolarHBondContact NE-O 3.37Å; G147-S150 WeakPolarHBondContact O-CB 3.45Å; G147-S150 PolarHBondContact O-N 3.47Å; G147-S150 PolarHBondContact O-OG 2.85Å; G147-S150 VanDerWaalsContact O-OG 3.13Å
151	A	98.8	Very high	98.6	Very high	16 Å²	16	10.5 Å²	10.5	13%	0.132	9%	0.086	C	C	.	.			trans	-78.5	154.3	178.7	0	0	0	0	0	113.2	V154 T286 P290	A151-V154 HydrophobicContact CB-CG1 4.25Å; A151-T286 HydrophobicContact CB-CG2 3.74Å; A151-P290 WeakPolarHBondContact CA-O 3.46Å; A151-P290 HydrophobicContact CB-CB 3.86Å
152	D	98.8	Very high	98.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-75.7	-42.5	-177.9	-75.6	-17.7	0	0	0	113.8	R105 V154 R158 P290 D291 F292 H293 R294	R105-D152 IonicContact CZ-OD1 3.77Å; R105-D152 VanDerWaalsContact CZ-OD1 3.26Å; R105-D152 IonicContact NE-OD1 2.7Å; R105-D152 PolarHBondContact NE-OD1 2.9Å; R105-D152 VanDerWaalsContact NH2-CG 3.33Å; R105-D152 IonicContact NH2-OD1 3.66Å; R105-D152 PolarHBondContact NH2-OD1 3.25Å; R105-D152 IonicContact NH2-OD2 3.37Å; R105-D152 PolarHBondContact NH2-OD2 2.92Å; D152-V154 VanDerWaalsContact C-N 3.27Å; D152-V154 PolarHBondContact O-N 3.42Å; D152-R158 PolarHBondContact O-NH2 2.83Å; D152-P290 PolarHBondContact N-O 3.4Å; D152-D291 VanDerWaalsContact OD2-CA 3.31Å; D152-D291 WeakPolarHBondContact OD2-CA 3.47Å; D152-F292 PolarHBondContact OD2-N 3.25Å; D152-H293 HydrophobicContact CB-CB 3.83Å; D152-H293 PolarHBondContact O-ND1 3.45Å; D152-H293 PolarHBondContact OD2-N 3Å; D152-H293 VanDerWaalsContact OD2-N 3.12Å; D152-R294 WeakPolarHBondContact OD2-CB 3.38Å; D152-R294 PolarHBondContact OD2-N 3.26Å
153	T	98.9	Very high	98.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-90.9	28.2	-169.1	61.7	0	0	0	0	113.7	L277 A282 L285 T286 F292	T153-L277 HydrophobicContact CG2-CD1 3.93Å; T153-A282 PolarHBondContact OG1-O 2.84Å; T153-L285 HydrophobicContact CG2-CD2 3.83Å; T153-L285 HydrophobicContact CG2-CG 4.11Å; T153-T286 WeakPolarHBondContact OG1-CG2 3.34Å; T153-T286 PolarHBondContact OG1-N 3.33Å; T153-F292 HydrophobicContact CG2-CB 4Å; T153-F292 HydrophobicContact CG2-CD1 3.73Å; T153-F292 HydrophobicContact CG2-CG 4.26Å
154	V	98.9	Very high	98.6	Very high	14 Å²	14	10.5 Å²	10.5	9%	0.085	9%	0.086	C	C	.	.	S	Bend	trans	-68.4	162.4	175.2	-66.7	0	0	0	0	111.9	T143 A151 D152 D156 R158 G207 G236 T286	T143-V154 HydrophobicContact CG2-CG2 3.73Å; A151-V154 HydrophobicContact CB-CG1 4.25Å; D152-V154 VanDerWaalsContact C-N 3.27Å; D152-V154 PolarHBondContact O-N 3.42Å; V154-D156 HydrophobicContact CG2-CB 3.91Å; V154-D156 PolarHBondContact O-N 2.81Å; V154-R158 PolarHBondContact O-NH1 3.33Å; V154-R158 PolarHBondContact O-NH2 2.87Å; V154-G207 WeakPolarHBondContact CB-O 3.28Å; V154-G207 WeakPolarHBondContact CG1-O 3.43Å; V154-G236 VanDerWaalsContact O-O 3.09Å; V154-T286 HydrophobicContact CG1-CG2 4.05Å
155	R	98.9	Very high	98.6	Very high	8 Å²	8	9.8 Å²	9.8	3%	0.03	8%	0.081	C	C	.	.	S	Bend	trans	-78.2	111.5	164.6	178.4	174	-62.4	-76.2	5.8	108.4	A231 M232 S233 G236 I237 W279 E505	R155-A231 WeakPolarHBondContact CD-O 3.4Å; R155-A231 VanDerWaalsContact CG-O 3.32Å; R155-A231 WeakPolarHBondContact CG-O 3.39Å; R155-A231 PolarHBondContact NH1-O 3.48Å; R155-M232 HydrophobicContact CG-CE 4.42Å; R155-M232 VanDerWaalsContact NH1-C 3.33Å; R155-M232 PolarHBondContact NH1-O 3.31Å; R155-M232 VanDerWaalsContact NH1-O 3.07Å; R155-S233 PolarHBondContact NH1-O 3.36Å; R155-G236 WeakPolarHBondContact CA-O 3.29Å; R155-I237 HydrophobicContact CB-CG2 4.06Å; R155-W279 HydrophobicContact CB-CE3 4.15Å; R155-W279 HydrophobicContact CB-CH2 3.89Å; R155-W279 HydrophobicContact CB-CZ3 3.41Å; R155-W279 VanDerWaalsContact CB-CZ3 3.41Å; R155-E505 WeakPolarHBondContact CD-OE1 3.48Å
156	D	98.9	Very high	98.6	Very high	18 Å²	18	9.8 Å²	9.8	10%	0.096	8%	0.081	C	C	.	.	S	Bend	trans	-162.8	165.8	-177.9	-158.2	-9.4	0	0	0	109.8	V144 Q145 V154 R158 G236	V144-D156 WeakPolarHBondContact CA-OD2 3.26Å; V144-D156 WeakPolarHBondContact CB-OD1 3.34Å; V144-D156 PolarHBondContact N-OD2 3.19Å; Q145-D156 PolarHBondContact N-OD2 2.97Å; V154-D156 HydrophobicContact CG2-CB 3.91Å; V154-D156 PolarHBondContact O-N 2.81Å; D156-R158 PolarHBondContact O-NH1 3.34Å; D156-G236 PolarHBondContact N-O 3.08Å; D156-G236 CarbonylContact O-C 3.51Å; D156-G236 WeakPolarHBondContact O-CA 3.5Å; D156-G236 VanDerWaalsContact O-O 3.08Å
157	I	98.8	Very high	98.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	10%	0.1	C	C	.	.			trans	-67.6	153.9	158.9	-60.5	-57.8	0	0	0	108.5	V144 N176 T178 F182 A231	V144-I157 HydrophobicContact CG2-CB 3.77Å; V144-I157 HydrophobicContact CG2-CG2 4.16Å; V144-I157 WeakPolarHBondContact CG2-O 3.32Å; I157-N176 HydrophobicContact CG2-CB 3.74Å; I157-T178 HydrophobicContact CD1-CG2 3.64Å; I157-F182 HydrophobicContact CD1-CE2 4.43Å; I157-F182 HydrophobicContact CD1-CZ 4.22Å; I157-F182 HydrophobicContact CG1-CE2 3.58Å; I157-F182 HydrophobicContact CG1-CZ 3.7Å; I157-A231 HydrophobicContact CD1-CB 4.23Å
158	R	98.9	Very high	98.8	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.103	C	C	.	.			trans	-110.2	131.1	169.4	-57.9	-55.7	-171.3	-81.4	5.3	110.9	S142 D152 V154 D156 N176 N177 G236 P238 M244	S142-R158 CarbonylContact O-C 3.49Å; S142-R158 WeakPolarHBondContact O-CA 3.34Å; S142-R158 WeakPolarHBondContact O-CB 3.45Å; S142-R158 WeakPolarHBondContact O-CD 3.44Å; D152-R158 PolarHBondContact O-NH2 2.83Å; V154-R158 PolarHBondContact O-NH1 3.33Å; V154-R158 PolarHBondContact O-NH2 2.87Å; D156-R158 PolarHBondContact O-NH1 3.34Å; R158-N176 CarbonylContact O-C 3.45Å; R158-N176 WeakPolarHBondContact O-CA 3.36Å; R158-N176 WeakPolarHBondContact O-CB 3.46Å; R158-N177 HydrophobicContact CB-CB 4Å; R158-N177 PolarHBondContact N-OD1 3.45Å; R158-N177 PolarHBondContact O-N 3.13Å; R158-N177 PolarHBondContact O-OD1 3Å; R158-G236 PolarHBondContact NH1-O 3.26Å; R158-P238 HydrophobicContact CG-CG 3.82Å; R158-M244 HydrophobicContact CB-CE 3.99Å; R158-M244 HydrophobicContact CB-SD 3.68Å; R158-M244 HydrophobicContact CG-SD 3.94Å
159	G	98.7	Very high	98.8	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.4	167.8	0	0	0	0	0	111	F141 S142 N176	F141-G159 CarbonylContact C-O 3.58Å; F141-G159 VanDerWaalsContact CA-O 3.28Å; F141-G159 WeakPolarHBondContact CA-O 3.31Å; S142-G159 PolarHBondContact N-O 3.31Å; S142-G159 PolarHBondContact O-N 3.37Å; S142-G159 WeakPolarHBondContact OG-CA 3.09Å; G159-N176 WeakPolarHBondContact CA-OD1 3.29Å
160	F	98.9	Very high	98.9	Very high	1 Å²	1	11.7 Å²	11.7	0%	0.004	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	89.8	176.2	-167.6	-20.3	0	0	0	108.1	V139 F141 G175 M244 W268 Y309 M348	V139-F160 HydrophobicContact CG1-CD1 3.85Å; V139-F160 HydrophobicContact CG1-CE1 3.53Å; V139-F160 HydrophobicContact CG2-CE1 4.48Å; F141-F160 HydrophobicContact CD1-CB 4.48Å; F141-F160 HydrophobicContact CD1-CD1 4.06Å; F141-F160 HydrophobicContact CD1-CD2 4.35Å; F141-F160 HydrophobicContact CD1-CE1 4.39Å; F141-F160 HydrophobicContact CD1-CG 4.05Å; F141-F160 AromaticContact CE1-CD1 3.62Å; F141-F160 HydrophobicContact CE1-CD1 3.62Å; F141-F160 AromaticContact CE1-CD2 3.85Å; F141-F160 HydrophobicContact CE1-CD2 3.85Å; F141-F160 AromaticContact CE1-CE1 3.52Å; F141-F160 HydrophobicContact CE1-CE1 3.52Å; F141-F160 AromaticContact CE1-CE2 3.75Å; F141-F160 HydrophobicContact CE1-CE2 3.75Å; F141-F160 AromaticContact CE1-CG 3.79Å; F141-F160 HydrophobicContact CE1-CG 3.79Å; F141-F160 AromaticContact CE1-CZ 3.58Å; F141-F160 HydrophobicContact CE1-CZ 3.58Å; F141-F160 HydrophobicContact CZ-CD1 4.45Å; F141-F160 AromaticContact CZ-CE1 3.99Å; F141-F160 HydrophobicContact CZ-CE1 3.99Å; F141-F160 HydrophobicContact CZ-CZ 4.04Å; F160-G175 CarbonylContact C-O 3.52Å; F160-G175 PolarHBondContact N-O 2.98Å; F160-G175 CarbonylContact O-C 3.56Å; F160-G175 PolarHBondContact O-N 2.73Å; F160-M244 HydrophobicContact CB-CE 4.43Å; F160-M244 HydrophobicContact CD2-CE 4.16Å; F160-W268 HydrophobicContact CE2-CB 3.86Å; F160-W268 AromaticContact CE2-CD1 3.95Å; F160-W268 AromaticContact CE2-CG 3.97Å; F160-W268 HydrophobicContact CE2-CG 3.97Å; F160-W268 HydrophobicContact CZ-CB 4.29Å; F160-W268 AromaticContact CZ-CD1 3.97Å; F160-W268 HydrophobicContact CZ-CD2 4.44Å; F160-W268 HydrophobicContact CZ-CG 4Å; F160-Y309 AromaticContact CE2-CD1 3.78Å; F160-Y309 HydrophobicContact CE2-CD1 3.78Å; F160-Y309 AromaticContact CE2-CE1 3.71Å; F160-Y309 HydrophobicContact CE2-CE1 3.71Å; F160-Y309 HydrophobicContact CE2-CG 4.3Å; F160-Y309 AromaticContact CZ-CD1 3.89Å; F160-Y309 HydrophobicContact CZ-CD1 3.89Å; F160-Y309 HydrophobicContact CZ-CD2 4.04Å; F160-Y309 AromaticContact CZ-CE1 3.93Å; F160-Y309 HydrophobicContact CZ-CE1 3.93Å; F160-Y309 HydrophobicContact CZ-CE2 4.06Å; F160-Y309 AromaticContact CZ-CG 3.95Å; F160-Y309 HydrophobicContact CZ-CG 3.95Å; F160-M348 HydrophobicContact CE1-CE 3.76Å; F160-M348 HydrophobicContact CZ-CE 3.69Å
161	A	98.9	Very high	98.9	Very high	11 Å²	11	11.6 Å²	11.6	9%	0.091	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.6	-179.3	0	0	0	0	0	111.2	V139 R140 V174 F366	V139-A161 CarbonylContact C-O 3.45Å; V139-A161 VanDerWaalsContact CA-O 3.31Å; V139-A161 WeakPolarHBondContact CA-O 3.34Å; R140-A161 PolarHBondContact N-O 2.92Å; R140-A161 PolarHBondContact O-N 3.3Å; A161-V174 HydrophobicContact CB-CG1 4.18Å; A161-F366 HydrophobicContact CB-CB 4.2Å; A161-F366 HydrophobicContact CB-CD1 3.76Å; A161-F366 HydrophobicContact CB-CD2 4.2Å; A161-F366 HydrophobicContact CB-CE1 4.09Å; A161-F366 HydrophobicContact CB-CG 3.8Å; A161-F366 HydrophobicContact CB-CZ 4.46Å
162	T	99	Very high	98.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.9	178.6	-56.6	0	0	0	0	110.1	V137 V139 F164 D172 L173 W268 M348	V137-T162 HydrophobicContact CB-CG2 4.13Å; V137-T162 HydrophobicContact CG1-CG2 4.05Å; V139-T162 HydrophobicContact CG2-CG2 3.86Å; T162-F164 HydrophobicContact CG2-CD2 3.87Å; T162-F164 HydrophobicContact CG2-CE1 4.25Å; T162-F164 HydrophobicContact CG2-CE2 3.44Å; T162-F164 VanDerWaalsContact CG2-CE2 3.44Å; T162-F164 HydrophobicContact CG2-CG 4.45Å; T162-F164 HydrophobicContact CG2-CZ 3.67Å; T162-D172 WeakPolarHBondContact O-CA 3.26Å; T162-L173 PolarHBondContact N-O 3.17Å; T162-L173 PolarHBondContact O-N 3.09Å; T162-W268 HydrophobicContact CG2-CZ2 4.24Å; T162-M348 HydrophobicContact CG2-SD 3.68Å
163	K	99	Very high	98.9	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.013	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.8	171.6	177.4	171.4	-61.6	-61.2	0	109	V137 F138 Y165 I170 D172 A365 F366	V137-K163 CarbonylContact C-O 3.57Å; V137-K163 WeakPolarHBondContact CA-O 3.45Å; V137-K163 WeakPolarHBondContact CB-O 3.34Å; F138-K163 PolarHBondContact N-O 2.82Å; F138-K163 PolarHBondContact O-N 3.33Å; K163-Y165 HydrophobicContact CD-CD1 4.41Å; K163-Y165 HydrophobicContact CD-CE1 3.52Å; K163-Y165 HydrophobicContact CD-CE2 4.3Å; K163-Y165 VanDerWaalsContact CD-CZ 3.47Å; K163-Y165 WeakPolarHBondContact CD-OH 3.32Å; K163-Y165 HydrophobicContact CG-CD1 4.42Å; K163-Y165 HydrophobicContact CG-CE1 3.91Å; K163-Y165 HydrophobicContact CG-CE2 4.1Å; K163-I170 HydrophobicContact CD-CD1 4.33Å; K163-I170 HydrophobicContact CD-CG2 4.24Å; K163-I170 HydrophobicContact CG-CG2 3.78Å; K163-D172 WeakPolarHBondContact CA-OD1 3.49Å; K163-D172 VanDerWaalsContact CB-OD1 3.25Å; K163-D172 WeakPolarHBondContact CB-OD1 3.36Å; K163-D172 VanDerWaalsContact CG-OD1 3.25Å; K163-D172 WeakPolarHBondContact CG-OD1 3.47Å; K163-D172 IonicContact NZ-OD1 3.69Å; K163-D172 PolarHBondContact NZ-OD1 3.32Å; K163-D172 IonicContact NZ-OD2 3.74Å; K163-D172 PolarHBondContact NZ-OD2 3.12Å; K163-A365 WeakPolarHBondContact CE-O 3.2Å; K163-A365 PolarHBondContact NZ-O 3.43Å; K163-F366 HydrophobicContact CB-CD1 3.86Å; K163-F366 HydrophobicContact CB-CE1 3.54Å
164	F	99	Very high	98.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.4	174.8	-63.7	-97.7	0	0	0	109.3	F113 F127 T135 V137 T162 T166 I170 F171 L173 W268	F113-F164 HydrophobicContact CB-CD1 4.14Å; F113-F164 HydrophobicContact CB-CE1 3.78Å; F113-F164 HydrophobicContact CD1-CD1 4.36Å; F113-F164 AromaticContact CD1-CE1 3.97Å; F113-F164 HydrophobicContact CD1-CE1 3.97Å; F113-F164 HydrophobicContact CD2-CE1 4.09Å; F113-F164 HydrophobicContact CG-CD1 4.3Å; F113-F164 AromaticContact CG-CE1 3.66Å; F113-F164 HydrophobicContact CG-CE1 3.66Å; F127-F164 HydrophobicContact CD2-CD1 4.22Å; F127-F164 HydrophobicContact CD2-CE1 4.46Å; F127-F164 HydrophobicContact CE2-CD1 4.24Å; F127-F164 HydrophobicContact CE2-CE1 4.18Å; T135-F164 HydrophobicContact CG2-CB 4.05Å; T135-F164 HydrophobicContact CG2-CD1 4.16Å; V137-F164 HydrophobicContact CG1-CD1 3.61Å; V137-F164 HydrophobicContact CG1-CE1 3.95Å; V137-F164 HydrophobicContact CG1-CG 4.14Å; T162-F164 HydrophobicContact CG2-CD2 3.87Å; T162-F164 HydrophobicContact CG2-CE1 4.25Å; T162-F164 HydrophobicContact CG2-CE2 3.44Å; T162-F164 VanDerWaalsContact CG2-CE2 3.44Å; T162-F164 HydrophobicContact CG2-CG 4.45Å; T162-F164 HydrophobicContact CG2-CZ 3.67Å; F164-T166 HydrophobicContact CB-CG2 3.92Å; F164-T166 PolarHBondContact O-N 3.33Å; F164-I170 WeakPolarHBondContact O-CA 3.22Å; F164-F171 HydrophobicContact CB-CB 4.18Å; F164-F171 HydrophobicContact CB-CD1 4.34Å; F164-F171 WeakPolarHBondContact CB-O 3.48Å; F164-F171 AromaticContact CD2-CD1 3.46Å; F164-F171 HydrophobicContact CD2-CD1 3.46Å; F164-F171 VanDerWaalsContact CD2-CD1 3.46Å; F164-F171 AromaticContact CD2-CE1 3.91Å; F164-F171 HydrophobicContact CD2-CE1 3.91Å; F164-F171 HydrophobicContact CD2-CG 4.2Å; F164-F171 WeakPolarHBondContact CD2-O 3.3Å; F164-F171 AromaticContact CE2-CD1 3.87Å; F164-F171 HydrophobicContact CE2-CD1 3.87Å; F164-F171 AromaticContact CE2-CE1 3.83Å; F164-F171 HydrophobicContact CE2-CE1 3.83Å; F164-F171 HydrophobicContact CG-CD1 4.02Å; F164-F171 PolarHBondContact N-O 2.87Å; F164-F171 PolarHBondContact O-N 3.08Å; F164-L173 HydrophobicContact CE2-CB 3.93Å; F164-W268 HydrophobicContact CE1-CH2 4.46Å; F164-W268 HydrophobicContact CE2-CZ2 4.37Å; F164-W268 AromaticContact CZ-CH2 3.89Å; F164-W268 HydrophobicContact CZ-CH2 3.89Å; F164-W268 AromaticContact CZ-CZ2 3.7Å; F164-W268 HydrophobicContact CZ-CZ2 3.7Å
165	Y	98.9	Very high	98.9	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.008	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	78	175.5	-55.3	-86.4	0	0	0	108.9	K39 P136 F138 K163 I170 I408	K39-Y165 HydrophobicContact CB-CD2 4.01Å; K39-Y165 HydrophobicContact CB-CE2 4.27Å; K39-Y165 HydrophobicContact CB-CG 4.32Å; K39-Y165 HydrophobicContact CD-CD1 3.78Å; K39-Y165 HydrophobicContact CD-CD2 4.17Å; K39-Y165 HydrophobicContact CD-CE1 3.62Å; K39-Y165 HydrophobicContact CD-CE2 4.03Å; K39-Y165 HydrophobicContact CD-CG 4.05Å; K39-Y165 VanDerWaalsContact CE-CZ 3.44Å; K39-Y165 HydrophobicContact CG-CD1 4.37Å; K39-Y165 HydrophobicContact CG-CD2 3.84Å; K39-Y165 HydrophobicContact CG-CE1 4.18Å; K39-Y165 HydrophobicContact CG-CE2 3.63Å; K39-Y165 HydrophobicContact CG-CG 4.2Å; P136-Y165 HydrophobicContact CB-CD2 4.05Å; P136-Y165 WeakPolarHBondContact O-CD2 3.27Å; P136-Y165 PolarHBondContact O-N 3.25Å; F138-Y165 HydrophobicContact CB-CE2 3.9Å; F138-Y165 WeakPolarHBondContact CB-OH 3.37Å; K163-Y165 HydrophobicContact CD-CD1 4.41Å; K163-Y165 HydrophobicContact CD-CE1 3.52Å; K163-Y165 HydrophobicContact CD-CE2 4.3Å; K163-Y165 VanDerWaalsContact CD-CZ 3.47Å; K163-Y165 WeakPolarHBondContact CD-OH 3.32Å; K163-Y165 HydrophobicContact CG-CD1 4.42Å; K163-Y165 HydrophobicContact CG-CE1 3.91Å; K163-Y165 HydrophobicContact CG-CE2 4.1Å; Y165-I170 HydrophobicContact CD1-CD1 3.98Å; Y165-I170 HydrophobicContact CD1-CG1 4.04Å; Y165-I170 HydrophobicContact CE1-CD1 4.11Å; Y165-I408 WeakPolarHBondContact CE1-O 3.33Å; Y165-I408 PolarHBondContact OH-O 2.99Å
166	T	98.9	Very high	98.9	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.018	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	164.1	-176.5	91.4	0	0	0	0	111.5	F127 T135 F164 E168 G169 F171	F127-T166 HydrophobicContact CB-CG2 3.77Å; F127-T166 HydrophobicContact CD1-CG2 4.04Å; F127-T166 HydrophobicContact CG-CG2 4.01Å; T135-T166 HydrophobicContact CG2-CG2 4.19Å; F164-T166 HydrophobicContact CB-CG2 3.92Å; F164-T166 PolarHBondContact O-N 3.33Å; T166-E168 PolarHBondContact O-N 3.38Å; T166-E168 PolarHBondContact OG1-N 3.4Å; T166-E168 VanDerWaalsContact OG1-N 3.11Å; T166-G169 VanDerWaalsContact CB-O 3.29Å; T166-G169 WeakPolarHBondContact CB-O 3.11Å; T166-G169 PolarHBondContact N-O 2.92Å; T166-G169 PolarHBondContact OG1-N 3.21Å; T166-G169 PolarHBondContact OG1-O 3.43Å; T166-F171 HydrophobicContact CG2-CB 4.39Å
167	E	98.8	Very high	98.9	Very high	85 Å²	85	11 Å²	11	40%	0.397	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.6	175	-64.6	172.2	-151.3	0	0	113.3	K133 C413 R454	K133-E167 IonicContact NZ-OE1 3.88Å; K133-E167 PolarHBondContact NZ-OE1 3.37Å; K133-E167 IonicContact NZ-OE2 2.74Å; K133-E167 PolarHBondContact NZ-OE2 2.83Å; E167-C413 WeakPolarHBondContact O-CB 3.46Å; E167-R454 IonicContact OE2-CZ 3.47Å; E167-R454 IonicContact OE2-NH2 2.67Å; E167-R454 PolarHBondContact OE2-NH2 2.6Å
168	E	98.8	Very high	98.9	Very high	32 Å²	32	11 Å²	11	15%	0.15	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	25.8	-179.8	-62.5	-166.4	174.6	0	0	112.7	D126 T166 R454	D126-E168 HydrophobicContact CB-CB 4.35Å; D126-E168 HydrophobicContact CB-CG 3.72Å; T166-E168 PolarHBondContact O-N 3.38Å; T166-E168 PolarHBondContact OG1-N 3.4Å; T166-E168 VanDerWaalsContact OG1-N 3.11Å; E168-R454 VanDerWaalsContact OE1-CA 3.27Å; E168-R454 WeakPolarHBondContact OE1-CA 3.3Å; E168-R454 WeakPolarHBondContact OE1-CD 3.28Å; E168-R454 IonicContact OE1-CZ 3.84Å; E168-R454 PolarHBondContact OE1-N 3.15Å; E168-R454 IonicContact OE1-NE 3.85Å; E168-R454 IonicContact OE1-NH1 3.51Å; E168-R454 PolarHBondContact OE1-NH1 3.08Å
169	G	98.8	Very high	98.9	Very high	19 Å²	19	11.4 Å²	11.4	20%	0.196	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.2	170.4	178.8	0	0	0	0	0	113.1	T166 C413	T166-G169 VanDerWaalsContact CB-O 3.29Å; T166-G169 WeakPolarHBondContact CB-O 3.11Å; T166-G169 PolarHBondContact N-O 2.92Å; T166-G169 PolarHBondContact OG1-N 3.21Å; T166-G169 PolarHBondContact OG1-O 3.43Å; G169-C413 PolarHBondContact N-SG 2.98Å
170	I	98.9	Very high	98.9	Very high	22 Å²	22	11.3 Å²	11.3	11%	0.113	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.5	173.1	-74.2	173.6	0	0	0	109.3	K163 F164 Y165 N409 P411	K163-I170 HydrophobicContact CD-CD1 4.33Å; K163-I170 HydrophobicContact CD-CG2 4.24Å; K163-I170 HydrophobicContact CG-CG2 3.78Å; F164-I170 WeakPolarHBondContact O-CA 3.22Å; Y165-I170 HydrophobicContact CD1-CD1 3.98Å; Y165-I170 HydrophobicContact CD1-CG1 4.04Å; Y165-I170 HydrophobicContact CE1-CD1 4.11Å; I170-N409 WeakPolarHBondContact CD1-O 3.44Å; I170-P411 HydrophobicContact CD1-CB 4.22Å; I170-P411 HydrophobicContact CD1-CG 3.92Å; I170-P411 HydrophobicContact CG1-CB 4.22Å; I170-P411 HydrophobicContact CG1-CG 4.26Å
171	F	98.9	Very high	98.9	Very high	6 Å²	6	12.3 Å²	12.3	3%	0.026	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.4	165.3	165.8	-133.2	0	0	0	109.5	F127 F164 T166 L173 F266 H370 V372 L375	F127-F171 AromaticContact CE1-CD1 3.99Å; F127-F171 HydrophobicContact CE1-CD1 3.99Å; F127-F171 HydrophobicContact CE1-CE1 4.47Å; F127-F171 HydrophobicContact CE2-CD1 4.39Å; F127-F171 AromaticContact CZ-CD1 3.71Å; F127-F171 HydrophobicContact CZ-CD1 3.71Å; F127-F171 AromaticContact CZ-CE1 3.86Å; F127-F171 HydrophobicContact CZ-CE1 3.86Å; F164-F171 HydrophobicContact CB-CB 4.18Å; F164-F171 HydrophobicContact CB-CD1 4.34Å; F164-F171 WeakPolarHBondContact CB-O 3.48Å; F164-F171 AromaticContact CD2-CD1 3.46Å; F164-F171 HydrophobicContact CD2-CD1 3.46Å; F164-F171 VanDerWaalsContact CD2-CD1 3.46Å; F164-F171 AromaticContact CD2-CE1 3.91Å; F164-F171 HydrophobicContact CD2-CE1 3.91Å; F164-F171 HydrophobicContact CD2-CG 4.2Å; F164-F171 WeakPolarHBondContact CD2-O 3.3Å; F164-F171 AromaticContact CE2-CD1 3.87Å; F164-F171 HydrophobicContact CE2-CD1 3.87Å; F164-F171 AromaticContact CE2-CE1 3.83Å; F164-F171 HydrophobicContact CE2-CE1 3.83Å; F164-F171 HydrophobicContact CG-CD1 4.02Å; F164-F171 PolarHBondContact N-O 2.87Å; F164-F171 PolarHBondContact O-N 3.08Å; T166-F171 HydrophobicContact CG2-CB 4.39Å; F171-L173 HydrophobicContact CE1-CB 4.08Å; F171-L173 HydrophobicContact CE2-CB 4.38Å; F171-L173 HydrophobicContact CZ-CB 3.76Å; F171-L173 HydrophobicContact CZ-CD1 4.29Å; F171-L173 HydrophobicContact CZ-CG 4.46Å; F171-F266 HydrophobicContact CZ-CZ 4.44Å; F171-H370 WeakPolarHBondContact CA-O 3.33Å; F171-H370 WeakPolarHBondContact CD2-O 3.36Å; F171-V372 HydrophobicContact CB-CG1 4.02Å; F171-V372 HydrophobicContact CB-CG2 4.24Å; F171-L375 HydrophobicContact CD1-CD1 4.15Å; F171-L375 HydrophobicContact CD2-CD1 3.73Å; F171-L375 HydrophobicContact CE1-CD1 4.05Å; F171-L375 HydrophobicContact CE2-CD1 3.64Å; F171-L375 HydrophobicContact CG-CD1 4Å; F171-L375 HydrophobicContact CZ-CD1 3.8Å
172	D	98.9	Very high	98.9	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.011	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	109.3	174.4	-70.9	-30.9	0	0	0	111.2	T162 K163 V174 F366 H367 H370	T162-D172 WeakPolarHBondContact O-CA 3.26Å; K163-D172 WeakPolarHBondContact CA-OD1 3.49Å; K163-D172 VanDerWaalsContact CB-OD1 3.25Å; K163-D172 WeakPolarHBondContact CB-OD1 3.36Å; K163-D172 VanDerWaalsContact CG-OD1 3.25Å; K163-D172 WeakPolarHBondContact CG-OD1 3.47Å; K163-D172 IonicContact NZ-OD1 3.69Å; K163-D172 PolarHBondContact NZ-OD1 3.32Å; K163-D172 IonicContact NZ-OD2 3.74Å; K163-D172 PolarHBondContact NZ-OD2 3.12Å; D172-V174 HydrophobicContact CB-CG2 3.86Å; D172-V174 PolarHBondContact O-N 3.09Å; D172-F366 VanDerWaalsContact OD2-CA 3.32Å; D172-F366 WeakPolarHBondContact OD2-CA 3.31Å; D172-H367 VanDerWaalsContact CB-O 3.32Å; D172-H367 WeakPolarHBondContact CB-O 3.19Å; D172-H367 PolarHBondContact OD2-N 2.71Å; D172-H370 HydrophobicContact CB-CB 4.15Å; D172-H370 PolarHBondContact N-O 2.85Å; D172-H370 IonicContact OD2-CE1 3.03Å; D172-H370 IonicContact OD2-CG 2.69Å; D172-H370 IonicContact OD2-ND1 3.55Å; D172-H370 PolarHBondContact OD2-ND1 2.75Å
173	L	98.9	Very high	98.8	Very high	5 Å²	5	12.5 Å²	12.5	3%	0.026	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	95.1	169.8	-178.8	54.7	0	0	0	109.3	T162 F164 F171 G175 F266 W268 L311	T162-L173 PolarHBondContact N-O 3.17Å; T162-L173 PolarHBondContact O-N 3.09Å; F164-L173 HydrophobicContact CE2-CB 3.93Å; F171-L173 HydrophobicContact CE1-CB 4.08Å; F171-L173 HydrophobicContact CE2-CB 4.38Å; F171-L173 HydrophobicContact CZ-CB 3.76Å; F171-L173 HydrophobicContact CZ-CD1 4.29Å; F171-L173 HydrophobicContact CZ-CG 4.46Å; L173-G175 PolarHBondContact O-N 3.43Å; L173-F266 HydrophobicContact CD1-CB 3.83Å; L173-F266 HydrophobicContact CD1-CD2 3.46Å; L173-F266 VanDerWaalsContact CD1-CD2 3.46Å; L173-F266 HydrophobicContact CD1-CE2 4.17Å; L173-F266 HydrophobicContact CD1-CG 3.73Å; L173-F266 HydrophobicContact CD2-CB 3.94Å; L173-F266 HydrophobicContact CD2-CG 4.17Å; L173-W268 HydrophobicContact CD2-CZ2 4.12Å; L173-L311 HydrophobicContact CD2-CD1 4.12Å
174	V	98.9	Very high	98.8	Very high	18 Å²	18	12.3 Å²	12.3	11%	0.109	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	81.2	-172.8	-167.3	0	0	0	0	111.4	A161 D172 F366 P368 R386 Y390	A161-V174 HydrophobicContact CB-CG1 4.18Å; D172-V174 HydrophobicContact CB-CG2 3.86Å; D172-V174 PolarHBondContact O-N 3.09Å; V174-F366 HydrophobicContact CG2-CB 3.88Å; V174-P368 HydrophobicContact CB-CB 4.45Å; V174-P368 HydrophobicContact CG2-CB 4.49Å; V174-R386 PolarHBondContact O-NH1 2.93Å; V174-R386 PolarHBondContact O-NH2 2.93Å; V174-Y390 HydrophobicContact CG1-CE1 4.17Å
175	G	98.8	Very high	98.8	Very high	6 Å²	6	14.7 Å²	14.7	6%	0.062	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-175.6	-175	0	0	0	0	0	115.6	F160 L173 F247	F160-G175 CarbonylContact C-O 3.52Å; F160-G175 PolarHBondContact N-O 2.98Å; F160-G175 CarbonylContact O-C 3.56Å; F160-G175 PolarHBondContact O-N 2.73Å; L173-G175 PolarHBondContact O-N 3.43Å; G175-F247 CarbonylContact C-O 3.37Å; G175-F247 WeakPolarHBondContact CA-O 3.34Å
176	N	98.8	Very high	98.8	Very high	11 Å²	11	15.5 Å²	15.5	6%	0.059	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	176.2	171.6	-75.1	-20	0	0	0	111.1	I157 R158 G159 T178 G246 F247 I249	I157-N176 HydrophobicContact CG2-CB 3.74Å; R158-N176 CarbonylContact O-C 3.45Å; R158-N176 WeakPolarHBondContact O-CA 3.36Å; R158-N176 WeakPolarHBondContact O-CB 3.46Å; G159-N176 WeakPolarHBondContact CA-OD1 3.29Å; N176-T178 VanDerWaalsContact C-N 3.32Å; N176-G246 CarbonylContact O-C 3.52Å; N176-G246 VanDerWaalsContact O-CA 3.31Å; N176-G246 WeakPolarHBondContact O-CA 3.42Å; N176-F247 PolarHBondContact N-O 3.08Å; N176-F247 PolarHBondContact O-N 3.39Å; N176-I249 HydrophobicContact CB-CD1 4.07Å
177	N	98.8	Very high	98.8	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.011	12%	0.12	C	C	.	.	S	Bend	trans	-85.8	5.4	176.2	79.1	-40	0	0	0	115.3	R158 R235 M244 E245 F247	R158-N177 HydrophobicContact CB-CB 4Å; R158-N177 PolarHBondContact N-OD1 3.45Å; R158-N177 PolarHBondContact O-N 3.13Å; R158-N177 PolarHBondContact O-OD1 3Å; N177-R235 PolarHBondContact ND2-O 3.36Å; N177-M244 HydrophobicContact CB-CB 4.29Å; N177-M244 HydrophobicContact CB-CE 4.35Å; N177-M244 HydrophobicContact CB-CG 4.08Å; N177-M244 HydrophobicContact CB-SD 3.66Å; N177-E245 WeakPolarHBondContact CA-O 3.49Å; N177-E245 WeakPolarHBondContact CB-O 3.45Å; N177-F247 WeakPolarHBondContact O-CE2 3.4Å
178	T	98.8	Very high	98.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-126.4	150.2	173.5	65.5	0	0	0	0	110.1	I157 N176 I180 N227 W230 F247	I157-T178 HydrophobicContact CD1-CG2 3.64Å; N176-T178 VanDerWaalsContact C-N 3.32Å; T178-I180 PolarHBondContact O-N 3.26Å; T178-I180 PolarHBondContact OG1-O 3.35Å; T178-N227 WeakPolarHBondContact CB-OD1 3.36Å; T178-N227 PolarHBondContact OG1-OD1 2.8Å; T178-W230 HydrophobicContact CG2-CB 3.88Å; T178-W230 HydrophobicContact CG2-CD2 4.27Å; T178-W230 HydrophobicContact CG2-CE3 3.78Å; T178-W230 HydrophobicContact CG2-CG 4.36Å; T178-F247 WeakPolarHBondContact O-CD2 3.31Å
179	P	98.9	Very high	98.8	Very high	10 Å²	10	22.2 Å²	22.2	7%	0.065	12%	0.116	C	C	.	.	S	Bend	trans	-78.7	1.3	-170.3	30.6	-36	0	0	0	114.9	W230 F247 L334	P179-W230 HydrophobicContact CG-CH2 3.46Å; P179-W230 VanDerWaalsContact CG-CH2 3.46Å; P179-W230 HydrophobicContact CG-CZ2 3.36Å; P179-W230 HydrophobicContact CG-CZ3 4.08Å; P179-F247 HydrophobicContact CB-CD1 3.67Å; P179-F247 HydrophobicContact CB-CD2 4.34Å; P179-F247 HydrophobicContact CB-CE1 3.83Å; P179-F247 HydrophobicContact CB-CE2 4.49Å; P179-F247 HydrophobicContact CB-CG 3.93Å; P179-F247 HydrophobicContact CB-CZ 4.24Å; P179-F247 HydrophobicContact CG-CE1 4.49Å; P179-F247 HydrophobicContact CG-CZ 4.48Å; P179-L334 HydrophobicContact CB-CB 4.05Å; P179-L334 HydrophobicContact CG-CB 4.02Å; P179-L334 HydrophobicContact CG-CD2 3.93Å
180	I	98.9	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-140.7	165.1	-174.2	64.9	-72.5	0	0	0	110.9	T178 N227 W230 I249 P331 K333 L334	T178-I180 PolarHBondContact O-N 3.26Å; T178-I180 PolarHBondContact OG1-O 3.35Å; I180-N227 HydrophobicContact CD1-CB 4.5Å; I180-N227 HydrophobicContact CG1-CB 3.84Å; I180-N227 PolarHBondContact O-ND2 3.03Å; I180-N227 PolarHBondContact O-OD1 3.33Å; I180-W230 VanDerWaalsContact CD1-CD1 3.5Å; I180-W230 HydrophobicContact CD1-CD2 4.02Å; I180-W230 HydrophobicContact CD1-CG 3.85Å; I180-I249 WeakPolarHBondContact O-CD1 3.48Å; I180-P331 CarbonylContact C-O 3.56Å; I180-P331 VanDerWaalsContact CA-O 3.23Å; I180-P331 WeakPolarHBondContact CA-O 3.43Å; I180-P331 VanDerWaalsContact CB-O 3.3Å; I180-P331 WeakPolarHBondContact CB-O 3.49Å; I180-K333 WeakPolarHBondContact CG2-O 3.31Å; I180-L334 HydrophobicContact CG2-CB 3.84Å
181	F	98.6	Very high	98.8	Very high	22 Å²	22	26.8 Å²	26.8	10%	0.096	14%	0.14	C	C	.	.			trans	-110.6	169.6	170.2	-151	-112.8	0	0	0	111.8	I183 F189 I249 P331 L382	F181-I183 HydrophobicContact CD1-CG1 3.73Å; F181-I183 HydrophobicContact CE1-CD1 4.42Å; F181-I183 HydrophobicContact CE1-CG1 3.92Å; F181-F189 AromaticContact CE1-CD2 3.91Å; F181-F189 HydrophobicContact CE1-CD2 3.91Å; F181-F189 AromaticContact CE1-CE2 3.72Å; F181-F189 HydrophobicContact CE1-CE2 3.72Å; F181-F189 HydrophobicContact CZ-CD2 4.31Å; F181-F189 AromaticContact CZ-CE2 3.65Å; F181-F189 HydrophobicContact CZ-CE2 3.65Å; F181-I249 HydrophobicContact CB-CD1 4.27Å; F181-I249 HydrophobicContact CB-CG2 4.43Å; F181-I249 HydrophobicContact CD2-CD1 4.08Å; F181-P331 HydrophobicContact CB-CB 4.49Å; F181-P331 PolarHBondContact N-O 3.16Å; F181-L382 HydrophobicContact CB-CD2 3.64Å; F181-L382 HydrophobicContact CD1-CD1 4.49Å; F181-L382 HydrophobicContact CD1-CD2 3.37Å; F181-L382 HydrophobicContact CE1-CD2 4.27Å; F181-L382 HydrophobicContact CG-CD2 3.69Å
182	F	98.8	Very high	98.8	Very high	14 Å²	14	26.8 Å²	26.8	6%	0.061	14%	0.14	C	C	.	.	S	Bend	trans	-76	-24.7	-179.4	-65	-86.1	0	0	0	113.8	I157 F192 E223 T224 N227 V228 A231	I157-F182 HydrophobicContact CD1-CE2 4.43Å; I157-F182 HydrophobicContact CD1-CZ 4.22Å; I157-F182 HydrophobicContact CG1-CE2 3.58Å; I157-F182 HydrophobicContact CG1-CZ 3.7Å; F182-F192 HydrophobicContact CB-CD2 4.04Å; F182-F192 HydrophobicContact CB-CE1 4.17Å; F182-F192 HydrophobicContact CB-CE2 3.58Å; F182-F192 HydrophobicContact CB-CZ 3.67Å; F182-F192 AromaticContact CD1-CE2 3.84Å; F182-F192 HydrophobicContact CD1-CE2 3.84Å; F182-F192 AromaticContact CD1-CZ 3.83Å; F182-F192 HydrophobicContact CD1-CZ 3.83Å; F182-F192 AromaticContact CD2-CE1 3.58Å; F182-F192 HydrophobicContact CD2-CE1 3.58Å; F182-F192 AromaticContact CD2-CE2 3.93Å; F182-F192 HydrophobicContact CD2-CE2 3.93Å; F182-F192 AromaticContact CD2-CZ 3.15Å; F182-F192 HydrophobicContact CD2-CZ 3.15Å; F182-F192 HydrophobicContact CE1-CE2 4.49Å; F182-F192 HydrophobicContact CE1-CZ 4.22Å; F182-F192 HydrophobicContact CE2-CE1 4.15Å; F182-F192 AromaticContact CE2-CZ 3.6Å; F182-F192 HydrophobicContact CE2-CZ 3.6Å; F182-F192 HydrophobicContact CG-CD2 4.45Å; F182-F192 HydrophobicContact CG-CE1 4.02Å; F182-F192 AromaticContact CG-CE2 3.53Å; F182-F192 HydrophobicContact CG-CE2 3.53Å; F182-F192 AromaticContact CG-CZ 3.27Å; F182-F192 HydrophobicContact CG-CZ 3.27Å; F182-F192 HydrophobicContact CZ-CZ 4.12Å; F182-E223 CarbonylContact O-C 3.55Å; F182-T224 HydrophobicContact CB-CG2 4.41Å; F182-T224 WeakPolarHBondContact O-CA 3.3Å; F182-T224 VanDerWaalsContact O-CG2 3.31Å; F182-T224 WeakPolarHBondContact O-CG2 3.23Å; F182-T224 PolarHBondContact O-N 3.47Å; F182-N227 HydrophobicContact CD1-CB 3.72Å; F182-N227 HydrophobicContact CD2-CB 4.36Å; F182-N227 VanDerWaalsContact CD2-ND2 3.3Å; F182-N227 WeakPolarHBondContact CD2-ND2 3.45Å; F182-N227 HydrophobicContact CE1-CB 3.9Å; F182-N227 WeakPolarHBondContact CE2-ND2 3.15Å; F182-N227 HydrophobicContact CG-CB 3.96Å; F182-N227 HydrophobicContact CZ-CB 4.32Å; F182-N227 WeakPolarHBondContact CZ-ND2 3.42Å; F182-V228 HydrophobicContact CD1-CG2 3.98Å; F182-V228 HydrophobicContact CE1-CG2 3.91Å; F182-A231 HydrophobicContact CZ-CB 4.41Å
183	I	98.8	Very high	98.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.			trans	-131.1	156.2	-172	59	171.5	0	0	0	110.1	F181 K188 F189 F192 Y217 E223 T224 P331 L382	F181-I183 HydrophobicContact CD1-CG1 3.73Å; F181-I183 HydrophobicContact CE1-CD1 4.42Å; F181-I183 HydrophobicContact CE1-CG1 3.92Å; I183-K188 HydrophobicContact CB-CB 4.49Å; I183-K188 HydrophobicContact CD1-CB 4Å; I183-K188 HydrophobicContact CG2-CB 4.46Å; I183-F189 VanDerWaalsContact CD1-CA 3.43Å; I183-F189 HydrophobicContact CD1-CB 3.9Å; I183-F189 HydrophobicContact CD1-CD2 4.08Å; I183-F189 HydrophobicContact CD1-CG 4.46Å; I183-F192 HydrophobicContact CD1-CB 4.48Å; I183-F192 HydrophobicContact CG2-CB 3.97Å; I183-F192 HydrophobicContact CG2-CD2 4.37Å; I183-F192 HydrophobicContact CG2-CG 4.18Å; I183-Y217 HydrophobicContact CG2-CE1 4.32Å; I183-E223 WeakPolarHBondContact CA-OE1 3.33Å; I183-E223 WeakPolarHBondContact CB-OE1 3.3Å; I183-T224 HydrophobicContact CG2-CG2 4.49Å; I183-P331 WeakPolarHBondContact O-CG 3.16Å; I183-L382 HydrophobicContact CD1-CD1 4.12Å; I183-L382 HydrophobicContact CG1-CD1 4.09Å
184	Q	98.9	Very high	98.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-89.9	-34.6	-177.1	-70	179.9	-19.2	0	0	112.7	E223 D330 T332 P381 L382 F476	Q184-E223 HydrophobicContact CG-CB 4.18Å; Q184-E223 PolarHBondContact N-OE1 2.7Å; Q184-D330 WeakPolarHBondContact CG-OD1 3.4Å; Q184-D330 PolarHBondContact NE2-OD2 3.37Å; Q184-T332 HydrophobicContact CG-CG2 3.46Å; Q184-T332 VanDerWaalsContact CG-CG2 3.46Å; Q184-T332 PolarHBondContact NE2-OG1 3.23Å; Q184-P381 WeakPolarHBondContact O-CG 3.24Å; Q184-L382 PolarHBondContact O-N 2.93Å; Q184-F476 HydrophobicContact CB-CD2 3.92Å; Q184-F476 HydrophobicContact CB-CE2 4.38Å; Q184-F476 HydrophobicContact CG-CD2 3.97Å; Q184-F476 PolarHBondContact NE2-O 3.31Å
185	D	98.9	Very high	98.8	Very high	49 Å²	49	33 Å²	33	26%	0.262	17%	0.17	S	C	.	.			trans	-125	133.9	-171.4	-170.4	-51.7	0	0	0	111.2	H187 K188 R472	D185-H187 PolarHBondContact O-N 2.97Å; D185-H187 VanDerWaalsContact O-N 3.13Å; D185-H187 VanDerWaalsContact OD1-CB 3.25Å; D185-H187 WeakPolarHBondContact OD1-CB 3.39Å; D185-H187 PolarHBondContact OD1-N 3.26Å; D185-K188 PolarHBondContact O-N 2.94Å; D185-R472 VanDerWaalsContact CB-NH2 3.3Å
186	A	98.8	Very high	98.8	Very high	20 Å²	20	33.3 Å²	33.3	17%	0.165	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-59.8	-23.6	-179.3	0	0	0	0	0	114	K188 F189 P381 L382 G385	A186-K188 PolarHBondContact O-N 3.33Å; A186-F189 WeakPolarHBondContact O-CB 3.3Å; A186-F189 PolarHBondContact O-N 3.45Å; A186-P381 PolarHBondContact N-O 3.41Å; A186-L382 HydrophobicContact CB-CD1 4.14Å; A186-G385 VanDerWaalsContact CB-CA 3.5Å
187	H	98.6	Very high	98.8	Very high	153 Å²	153	34.5 Å²	34.5	71%	0.708	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-60	-29.2	175.1	-166.1	67.5	0	0	0	112.4	D185 F189	D185-H187 PolarHBondContact O-N 2.97Å; D185-H187 VanDerWaalsContact O-N 3.13Å; D185-H187 VanDerWaalsContact OD1-CB 3.25Å; D185-H187 WeakPolarHBondContact OD1-CB 3.39Å; D185-H187 PolarHBondContact OD1-N 3.26Å; H187-F189 VanDerWaalsContact C-N 3.33Å
188	K	98.7	Very high	98.8	Very high	53 Å²	53	35.7 Å²	35.7	23%	0.23	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-83.7	-5.6	177.5	-63.1	-56	-59.5	167.4	0	113.7	I183 D185 A186 D191 F192 Y217	I183-K188 HydrophobicContact CB-CB 4.49Å; I183-K188 HydrophobicContact CD1-CB 4Å; I183-K188 HydrophobicContact CG2-CB 4.46Å; D185-K188 PolarHBondContact O-N 2.94Å; A186-K188 PolarHBondContact O-N 3.33Å; K188-D191 WeakPolarHBondContact CE-OD2 3.33Å; K188-D191 IonicContact NZ-OD2 3.79Å; K188-D191 PolarHBondContact NZ-OD2 2.69Å; K188-D191 PolarHBondContact O-N 3.43Å; K188-F192 PolarHBondContact O-N 2.84Å; K188-Y217 WeakPolarHBondContact CE-OH 3.4Å
189	F	98.7	Very high	98.8	Very high	55 Å²	55	36.7 Å²	36.7	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-46	-175.1	-167.1	-93.5	0	0	0	113.2	V102 F181 I183 A186 H187 D191 F192 V193 L382	V102-F189 HydrophobicContact CG2-CE1 4.47Å; V102-F189 HydrophobicContact CG2-CZ 4.26Å; F181-F189 AromaticContact CE1-CD2 3.91Å; F181-F189 HydrophobicContact CE1-CD2 3.91Å; F181-F189 AromaticContact CE1-CE2 3.72Å; F181-F189 HydrophobicContact CE1-CE2 3.72Å; F181-F189 HydrophobicContact CZ-CD2 4.31Å; F181-F189 AromaticContact CZ-CE2 3.65Å; F181-F189 HydrophobicContact CZ-CE2 3.65Å; I183-F189 VanDerWaalsContact CD1-CA 3.43Å; I183-F189 HydrophobicContact CD1-CB 3.9Å; I183-F189 HydrophobicContact CD1-CD2 4.08Å; I183-F189 HydrophobicContact CD1-CG 4.46Å; A186-F189 WeakPolarHBondContact O-CB 3.3Å; A186-F189 PolarHBondContact O-N 3.45Å; H187-F189 VanDerWaalsContact C-N 3.33Å; F189-D191 VanDerWaalsContact C-N 3.33Å; F189-D191 PolarHBondContact O-N 2.91Å; F189-F192 PolarHBondContact O-N 3.48Å; F189-V193 HydrophobicContact CD1-CG2 3.83Å; F189-V193 HydrophobicContact CE1-CG2 3.54Å; F189-V193 HydrophobicContact CE2-CG2 4.31Å; F189-V193 HydrophobicContact CG-CG2 4.34Å; F189-V193 HydrophobicContact CZ-CG2 3.8Å; F189-V193 WeakPolarHBondContact O-CB 3.37Å; F189-V193 VanDerWaalsContact O-CG2 3.26Å; F189-V193 WeakPolarHBondContact O-CG2 3.3Å; F189-V193 PolarHBondContact O-N 3.2Å; F189-L382 HydrophobicContact CD2-CD1 4.47Å
190	P	98.7	Very high	98.7	Very high	66 Å²	66	42.1 Å²	42.1	43%	0.429	22%	0.223	S	C	.	.	H	α-helix	trans	-62	-39.8	175.8	-22.9	35.6	0	0	0	112.7	V193 H194	P190-V193 PolarHBondContact O-N 2.82Å; P190-H194 VanDerWaalsContact O-CB 3.26Å; P190-H194 WeakPolarHBondContact O-CB 3.38Å; P190-H194 PolarHBondContact O-CD2 3.43Å; P190-H194 PolarHBondContact O-N 2.86Å; P190-H194 PolarHBondContact O-ND1 3.45Å
191	D	98.9	Very high	98.7	Very high	71 Å²	71	49.1 Å²	49.1	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-63.4	-48.8	179.5	-60.2	-53.3	0	0	0	111.4	K188 F189 H194 A195 Y217	K188-D191 WeakPolarHBondContact CE-OD2 3.33Å; K188-D191 IonicContact NZ-OD2 3.79Å; K188-D191 PolarHBondContact NZ-OD2 2.69Å; K188-D191 PolarHBondContact O-N 3.43Å; F189-D191 VanDerWaalsContact C-N 3.33Å; F189-D191 PolarHBondContact O-N 2.91Å; D191-H194 PolarHBondContact O-N 3.14Å; D191-A195 WeakPolarHBondContact O-CB 3.34Å; D191-A195 PolarHBondContact O-N 2.85Å; D191-Y217 HydrophobicContact CB-CE2 3.76Å
192	F	98.8	Very high	98.7	Very high	5 Å²	5	51 Å²	51	2%	0.022	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-46	177.1	171.4	-100.2	0	0	0	111.7	F182 I183 K188 F189 H194 A195 V196 F214 Y217	F182-F192 HydrophobicContact CB-CD2 4.04Å; F182-F192 HydrophobicContact CB-CE1 4.17Å; F182-F192 HydrophobicContact CB-CE2 3.58Å; F182-F192 HydrophobicContact CB-CZ 3.67Å; F182-F192 AromaticContact CD1-CE2 3.84Å; F182-F192 HydrophobicContact CD1-CE2 3.84Å; F182-F192 AromaticContact CD1-CZ 3.83Å; F182-F192 HydrophobicContact CD1-CZ 3.83Å; F182-F192 AromaticContact CD2-CE1 3.58Å; F182-F192 HydrophobicContact CD2-CE1 3.58Å; F182-F192 AromaticContact CD2-CE2 3.93Å; F182-F192 HydrophobicContact CD2-CE2 3.93Å; F182-F192 AromaticContact CD2-CZ 3.15Å; F182-F192 HydrophobicContact CD2-CZ 3.15Å; F182-F192 HydrophobicContact CE1-CE2 4.49Å; F182-F192 HydrophobicContact CE1-CZ 4.22Å; F182-F192 HydrophobicContact CE2-CE1 4.15Å; F182-F192 AromaticContact CE2-CZ 3.6Å; F182-F192 HydrophobicContact CE2-CZ 3.6Å; F182-F192 HydrophobicContact CG-CD2 4.45Å; F182-F192 HydrophobicContact CG-CE1 4.02Å; F182-F192 AromaticContact CG-CE2 3.53Å; F182-F192 HydrophobicContact CG-CE2 3.53Å; F182-F192 AromaticContact CG-CZ 3.27Å; F182-F192 HydrophobicContact CG-CZ 3.27Å; F182-F192 HydrophobicContact CZ-CZ 4.12Å; I183-F192 HydrophobicContact CD1-CB 4.48Å; I183-F192 HydrophobicContact CG2-CB 3.97Å; I183-F192 HydrophobicContact CG2-CD2 4.37Å; I183-F192 HydrophobicContact CG2-CG 4.18Å; K188-F192 PolarHBondContact O-N 2.84Å; F189-F192 PolarHBondContact O-N 3.48Å; F192-H194 PolarHBondContact O-N 2.95Å; F192-A195 WeakPolarHBondContact O-CB 3.28Å; F192-A195 PolarHBondContact O-N 3.24Å; F192-V196 HydrophobicContact CE1-CG1 4.42Å; F192-V196 PolarHBondContact O-N 2.8Å; F192-V196 VanDerWaalsContact O-N 3.09Å; F192-F214 AromaticContact CE2-CE2 3.95Å; F192-F214 HydrophobicContact CE2-CE2 3.95Å; F192-F214 HydrophobicContact CZ-CE2 4.36Å; F192-Y217 HydrophobicContact CB-CE1 4.06Å; F192-Y217 HydrophobicContact CD2-CD1 4.09Å; F192-Y217 AromaticContact CD2-CE1 3.91Å; F192-Y217 HydrophobicContact CD2-CE1 3.91Å; F192-Y217 HydrophobicContact CG-CE1 4.49Å
193	V	98.6	Very high	98.7	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-41.5	179.9	171.3	0	0	0	0	111.1	V102 F189 P190 A195 V196 K197	V102-V193 HydrophobicContact CG1-CB 4.48Å; V102-V193 HydrophobicContact CG1-CG1 3.64Å; V102-V193 HydrophobicContact CG1-CG2 3.91Å; F189-V193 HydrophobicContact CD1-CG2 3.83Å; F189-V193 HydrophobicContact CE1-CG2 3.54Å; F189-V193 HydrophobicContact CE2-CG2 4.31Å; F189-V193 HydrophobicContact CG-CG2 4.34Å; F189-V193 HydrophobicContact CZ-CG2 3.8Å; F189-V193 WeakPolarHBondContact O-CB 3.37Å; F189-V193 VanDerWaalsContact O-CG2 3.26Å; F189-V193 WeakPolarHBondContact O-CG2 3.3Å; F189-V193 PolarHBondContact O-N 3.2Å; P190-V193 PolarHBondContact O-N 2.82Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.36Å; V193-V196 PolarHBondContact O-N 2.85Å; V193-K197 HydrophobicContact CG1-CG 3.92Å; V193-K197 WeakPolarHBondContact O-CB 3.41Å; V193-K197 WeakPolarHBondContact O-CG 3.4Å; V193-K197 PolarHBondContact O-N 2.73Å
194	H	98.8	Very high	98.7	Very high	134 Å²	134	58.7 Å²	58.7	62%	0.62	32%	0.32	S	S	*	.	H	α-helix	trans	-62.9	-36.6	174.1	-69.7	168.1	0	0	0	112.2	P190 D191 F192	P190-H194 VanDerWaalsContact O-CB 3.26Å; P190-H194 WeakPolarHBondContact O-CB 3.38Å; P190-H194 PolarHBondContact O-CD2 3.43Å; P190-H194 PolarHBondContact O-N 2.86Å; P190-H194 PolarHBondContact O-ND1 3.45Å; D191-H194 PolarHBondContact O-N 3.14Å; F192-H194 PolarHBondContact O-N 2.95Å
195	A	98.8	Very high	98.7	Very high	10 Å²	10	59.3 Å²	59.3	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-39.1	179.4	0	0	0	0	0	112.9	D191 F192 V193 H211 T213 F214 Y217	D191-A195 WeakPolarHBondContact O-CB 3.34Å; D191-A195 PolarHBondContact O-N 2.85Å; F192-A195 WeakPolarHBondContact O-CB 3.28Å; F192-A195 PolarHBondContact O-N 3.24Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.36Å; A195-H211 PolarHBondContact O-CE1 3.19Å; A195-T213 CarbonylContact O-C 3.59Å; A195-T213 PolarHBondContact O-OG1 2.89Å; A195-F214 VanDerWaalsContact O-CA 3.29Å; A195-F214 WeakPolarHBondContact O-CA 3.4Å; A195-F214 PolarHBondContact O-N 3.37Å; A195-Y217 HydrophobicContact CB-CD2 4.14Å; A195-Y217 HydrophobicContact CB-CG 3.92Å
196	V	98.7	Very high	98.7	Very high	13 Å²	13	61.8 Å²	61.8	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-87.6	-23.7	-179.4	75.8	0	0	0	0	114	Q145 F192 V193 H211 F214	Q145-V196 HydrophobicContact CG-CG1 4.39Å; Q145-V196 HydrophobicContact CG-CG2 4.19Å; Q145-V196 WeakPolarHBondContact CG-O 3.45Å; Q145-V196 PolarHBondContact NE2-O 3.07Å; F192-V196 HydrophobicContact CE1-CG1 4.42Å; F192-V196 PolarHBondContact O-N 2.8Å; F192-V196 VanDerWaalsContact O-N 3.09Å; V193-V196 PolarHBondContact O-N 2.85Å; V196-H211 PolarHBondContact O-NE2 2.98Å; V196-F214 HydrophobicContact CB-CD2 3.61Å; V196-F214 HydrophobicContact CB-CE2 4.15Å; V196-F214 HydrophobicContact CG2-CD2 3.52Å; V196-F214 HydrophobicContact CG2-CE2 3.82Å; V196-F214 HydrophobicContact CG2-CG 4.28Å
197	K	98.5	Very high	98.6	Very high	37 Å²	37	61 Å²	61	16%	0.161	33%	0.328	C	S	.	.	S	Bend	trans	-67.1	163.2	175.4	-83.2	-77.8	-170.4	174.8	0	110.9	I101 Q145 V193 E199 H211	I101-K197 WeakPolarHBondContact O-CE 3.34Å; I101-K197 PolarHBondContact O-NZ 3.27Å; Q145-K197 WeakPolarHBondContact O-CD 3.49Å; Q145-K197 VanDerWaalsContact O-CE 3.22Å; Q145-K197 WeakPolarHBondContact O-CE 3.4Å; Q145-K197 PolarHBondContact O-NZ 2.88Å; V193-K197 HydrophobicContact CG1-CG 3.92Å; V193-K197 WeakPolarHBondContact O-CB 3.41Å; V193-K197 WeakPolarHBondContact O-CG 3.4Å; V193-K197 PolarHBondContact O-N 2.73Å; K197-E199 PolarHBondContact O-N 3.48Å; K197-H211 PolarHBondContact O-CE1 3.43Å; K197-H211 VanDerWaalsContact O-CE1 3.29Å
198	P	98.8	Very high	98.6	Very high	27 Å²	27	57 Å²	57	18%	0.175	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-54.5	136.2	175.4	-17.4	26.8	0	0	0	111.3	A203 P205	P198-A203 HydrophobicContact CB-CB 4.38Å; P198-A203 WeakPolarHBondContact CB-O 3.45Å; P198-P205 WeakPolarHBondContact CG-O 3.45Å
199	E	98.8	Very high	98.6	Very high	21 Å²	21	54.9 Å²	54.9	10%	0.098	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-62	138.3	-172.3	-63.1	-167.6	-166	0	0	111.3	K197 H201 C202 A203 I204 H211 D212 T213	K197-E199 PolarHBondContact O-N 3.48Å; E199-H201 PolarHBondContact O-N 2.95Å; E199-H201 IonicContact OE2-CE1 3.66Å; E199-H201 PolarHBondContact OE2-CE1 2.9Å; E199-H201 IonicContact OE2-ND1 2.73Å; E199-C202 PolarHBondContact O-N 3.36Å; E199-A203 VanDerWaalsContact O-CA 3.3Å; E199-A203 WeakPolarHBondContact O-CA 3.29Å; E199-A203 PolarHBondContact O-N 3.1Å; E199-I204 PolarHBondContact N-O 3.2Å; E199-H211 WeakPolarHBondContact CG-ND1 3.33Å; E199-H211 IonicContact OE1-CG 3.79Å; E199-H211 IonicContact OE1-ND1 3.7Å; E199-H211 PolarHBondContact OE1-ND1 3.4Å; E199-D212 PolarHBondContact OE1-N 2.77Å; E199-T213 HydrophobicContact CG-CG2 3.86Å; E199-T213 PolarHBondContact OE1-N 3.36Å
200	P	98.6	Very high	98.7	Very high	124 Å²	124	52.8 Å²	52.8	81%	0.805	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-18.5	-161.2	25.4	-36.2	0	0	0	114.5
201	H	98.4	Very high	98.7	Very high	146 Å²	146	50.1 Å²	50.1	68%	0.676	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-25.5	-176.5	65.9	-81.1	0	0	0	113.2	E199	E199-H201 PolarHBondContact O-N 2.95Å; E199-H201 IonicContact OE2-CE1 3.66Å; E199-H201 PolarHBondContact OE2-CE1 2.9Å; E199-H201 IonicContact OE2-ND1 2.73Å
202	C	98.3	Very high	98.7	Very high	61 Å²	61	47.2 Å²	47.2	41%	0.412	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	-2.8	-178.4	63.6	0	0	0	0	114.6	E199 I204	E199-C202 PolarHBondContact O-N 3.36Å; C202-I204 VanDerWaalsContact C-N 3.26Å; C202-I204 PolarHBondContact O-N 2.87Å
203	A	98.1	Very high	98.7	Very high	68 Å²	68	49 Å²	49	56%	0.562	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	41	-175	0	0	0	0	0	113.4	P198 E199	P198-A203 HydrophobicContact CB-CB 4.38Å; P198-A203 WeakPolarHBondContact CB-O 3.45Å; E199-A203 VanDerWaalsContact O-CA 3.3Å; E199-A203 WeakPolarHBondContact O-CA 3.29Å; E199-A203 PolarHBondContact O-N 3.1Å
204	I	98.8	Very high	98.7	Very high	108 Å²	108	48.7 Å²	48.7	55%	0.554	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-123.6	142.6	175	-67.7	173.3	0	0	0	109.1	E199 C202	E199-I204 PolarHBondContact N-O 3.2Å; C202-I204 VanDerWaalsContact C-N 3.26Å; C202-I204 PolarHBondContact O-N 2.87Å
205	P	98.8	Very high	98.7	Very high	14 Å²	14	42.3 Å²	42.3	9%	0.091	24%	0.241	C	C	.	.			cis	-96.4	155.2	-1.7	36.8	-34.1	0	0	0	114	Q145 P198 Q208 H211	Q145-P205 PolarHBondContact NE2-O 2.87Å; P198-P205 WeakPolarHBondContact CG-O 3.45Å; P205-Q208 HydrophobicContact CB-CB 4.14Å; P205-Q208 HydrophobicContact CG-CB 3.96Å; P205-H211 VanDerWaalsContact CD-CD2 3.49Å; P205-H211 WeakPolarHBondContact CD-CD2 3.44Å; P205-H211 VanDerWaalsContact CD-CG 3.45Å; P205-H211 HydrophobicContact CG-CB 3.94Å
206	Q	98.7	Very high	98.7	Very high	100 Å²	100	44.3 Å²	44.3	47%	0.467	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	132.9	172	-171.2	69.1	-104.2	0	0	110.6	G146 Q208	G146-Q206 VanDerWaalsContact CA-OE1 3.24Å; Q206-Q208 VanDerWaalsContact C-N 3.29Å; Q206-Q208 PolarHBondContact O-N 3.1Å; Q206-Q208 PolarHBondContact O-NE2 3.33Å
207	G	98.3	Very high	98.7	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	26.7	172.2	0	0	0	0	0	115.2	Q145 V154	Q145-G207 VanDerWaalsContact OE1-CA 3.29Å; V154-G207 WeakPolarHBondContact CB-O 3.28Å; V154-G207 WeakPolarHBondContact CG1-O 3.43Å
208	Q	98.9	Very high	98.7	Very high	69 Å²	69	43.1 Å²	43.1	32%	0.322	24%	0.243	S	C	.	.			trans	-143.8	138.2	-174.5	-70.4	161.5	104.2	0	0	110.6	Q145 P205 Q206 A210 H211	Q145-Q208 PolarHBondContact NE2-O 3.07Å; P205-Q208 HydrophobicContact CB-CB 4.14Å; P205-Q208 HydrophobicContact CG-CB 3.96Å; Q206-Q208 VanDerWaalsContact C-N 3.29Å; Q206-Q208 PolarHBondContact O-N 3.1Å; Q206-Q208 PolarHBondContact O-NE2 3.33Å; Q208-A210 VanDerWaalsContact C-N 3.32Å; Q208-H211 PolarHBondContact O-CD2 3.21Å
209	S	98.8	Very high	98.7	Very high	10 Å²	10	42 Å²	42	7%	0.07	24%	0.237	C	C	.	.			trans	-86.4	-2.9	167.6	48.8	0	0	0	0	113.4	H211 F214 W215 E505	S209-H211 PolarHBondContact O-N 2.93Å; S209-F214 WeakPolarHBondContact O-CB 3.4Å; S209-F214 VanDerWaalsContact O-CD1 3.3Å; S209-F214 WeakPolarHBondContact O-CD1 3.36Å; S209-W215 PolarHBondContact O-NE1 3.16Å; S209-E505 WeakPolarHBondContact CB-OE2 3.38Å; S209-E505 PolarHBondContact OG-OE1 3.24Å; S209-E505 VanDerWaalsContact OG-OE1 3.12Å; S209-E505 PolarHBondContact OG-OE2 3.09Å
210	A	98.9	Very high	98.7	Very high	11 Å²	11	45.5 Å²	45.5	9%	0.091	26%	0.255	C	S	.	.			trans	-79	60.8	-171.9	0	0	0	0	0	112.9	Q208 E505 K508	Q208-A210 VanDerWaalsContact C-N 3.32Å; A210-E505 WeakPolarHBondContact CA-OE2 3.13Å; A210-E505 HydrophobicContact CB-CB 4.25Å; A210-E505 HydrophobicContact CB-CG 4.24Å; A210-E505 WeakPolarHBondContact CB-OE2 3.26Å; A210-E505 PolarHBondContact N-OE2 3.27Å; A210-K508 HydrophobicContact CB-CB 4.14Å; A210-K508 HydrophobicContact CB-CG 4.17Å; A210-K508 VanDerWaalsContact O-CB 3.32Å; A210-K508 WeakPolarHBondContact O-CB 3.26Å
211	H	98.9	Very high	98.7	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.046	23%	0.231	C	C	.	.	S	Bend	trans	-153.2	168.1	178.9	66	107.3	0	0	0	112.2	A195 V196 K197 E199 P205 Q208 S209 T213 W215	A195-H211 PolarHBondContact O-CE1 3.19Å; V196-H211 PolarHBondContact O-NE2 2.98Å; K197-H211 PolarHBondContact O-CE1 3.43Å; K197-H211 VanDerWaalsContact O-CE1 3.29Å; E199-H211 WeakPolarHBondContact CG-ND1 3.33Å; E199-H211 IonicContact OE1-CG 3.79Å; E199-H211 IonicContact OE1-ND1 3.7Å; E199-H211 PolarHBondContact OE1-ND1 3.4Å; P205-H211 VanDerWaalsContact CD-CD2 3.49Å; P205-H211 WeakPolarHBondContact CD-CD2 3.44Å; P205-H211 VanDerWaalsContact CD-CG 3.45Å; P205-H211 HydrophobicContact CG-CB 3.94Å; Q208-H211 PolarHBondContact O-CD2 3.21Å; S209-H211 PolarHBondContact O-N 2.93Å; H211-T213 PolarHBondContact CE1-OG1 2.73Å; H211-T213 PolarHBondContact ND1-OG1 3.35Å; H211-T213 PolarHBondContact O-N 3.19Å; H211-W215 PolarHBondContact O-N 3.01Å
212	D	98.9	Very high	98.8	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.048	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-48.1	-167.9	-71	-128.9	0	0	0	113.6	E199 F214 W215 D216 V509 V510 R511 I514	E199-D212 PolarHBondContact OE1-N 2.77Å; D212-F214 VanDerWaalsContact C-N 3.32Å; D212-F214 PolarHBondContact O-N 3.16Å; D212-W215 PolarHBondContact O-N 3.33Å; D212-D216 WeakPolarHBondContact O-CB 3.2Å; D212-D216 PolarHBondContact O-N 3.49Å; D212-V509 HydrophobicContact CB-CG1 4.46Å; D212-V509 WeakPolarHBondContact OD2-CA 3.37Å; D212-V510 PolarHBondContact OD1-N 3.49Å; D212-V510 PolarHBondContact OD2-N 2.87Å; D212-R511 WeakPolarHBondContact OD1-CB 3.32Å; D212-R511 WeakPolarHBondContact OD1-CD 3.44Å; D212-R511 WeakPolarHBondContact OD1-CG 3.44Å; D212-R511 IonicContact OD1-CZ 3.63Å; D212-R511 PolarHBondContact OD1-N 2.69Å; D212-R511 IonicContact OD1-NE 3.96Å; D212-R511 IonicContact OD1-NH1 3.37Å; D212-R511 PolarHBondContact OD1-NH1 3.48Å; D212-I514 HydrophobicContact CB-CD1 4.08Å
213	T	98.9	Very high	98.8	Very high	44 Å²	44	34.1 Å²	34.1	27%	0.27	19%	0.187	S	C	.	.	H	α-helix	trans	-65.5	-34.1	-172.3	55.8	0	0	0	0	113.4	A195 E199 H211 Y217	A195-T213 CarbonylContact O-C 3.59Å; A195-T213 PolarHBondContact O-OG1 2.89Å; E199-T213 HydrophobicContact CG-CG2 3.86Å; E199-T213 PolarHBondContact OE1-N 3.36Å; H211-T213 PolarHBondContact CE1-OG1 2.73Å; H211-T213 PolarHBondContact ND1-OG1 3.35Å; H211-T213 PolarHBondContact O-N 3.19Å; T213-Y217 PolarHBondContact O-N 3.43Å; T213-Y217 VanDerWaalsContact O-N 3.16Å
214	F	98.9	Very high	98.8	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-52.5	176.8	174.5	-104.4	0	0	0	110.5	F192 A195 V196 S209 D212 D216 Y217 V218 V228	F192-F214 AromaticContact CE2-CE2 3.95Å; F192-F214 HydrophobicContact CE2-CE2 3.95Å; F192-F214 HydrophobicContact CZ-CE2 4.36Å; A195-F214 VanDerWaalsContact O-CA 3.29Å; A195-F214 WeakPolarHBondContact O-CA 3.4Å; A195-F214 PolarHBondContact O-N 3.37Å; V196-F214 HydrophobicContact CB-CD2 3.61Å; V196-F214 HydrophobicContact CB-CE2 4.15Å; V196-F214 HydrophobicContact CG2-CD2 3.52Å; V196-F214 HydrophobicContact CG2-CE2 3.82Å; V196-F214 HydrophobicContact CG2-CG 4.28Å; S209-F214 WeakPolarHBondContact O-CB 3.4Å; S209-F214 VanDerWaalsContact O-CD1 3.3Å; S209-F214 WeakPolarHBondContact O-CD1 3.36Å; D212-F214 VanDerWaalsContact C-N 3.32Å; D212-F214 PolarHBondContact O-N 3.16Å; F214-D216 VanDerWaalsContact C-N 3.31Å; F214-D216 PolarHBondContact O-N 3.23Å; F214-Y217 PolarHBondContact O-N 3.49Å; F214-V218 HydrophobicContact CD1-CG2 4.28Å; F214-V218 HydrophobicContact CD2-CG2 4.42Å; F214-V218 HydrophobicContact CE1-CG2 3.85Å; F214-V218 HydrophobicContact CE2-CG2 4.02Å; F214-V218 HydrophobicContact CZ-CG2 3.72Å; F214-V218 WeakPolarHBondContact O-CG2 3.42Å; F214-V218 PolarHBondContact O-N 3Å; F214-V228 HydrophobicContact CZ-CG2 4.21Å
215	W	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72	-25.7	-176.9	-69.1	107.6	0	0	0	112.7	S209 H211 D212 V218 S219 V228 M232 F502 E505 L506 V509 I514 V518	S209-W215 PolarHBondContact O-NE1 3.16Å; H211-W215 PolarHBondContact O-N 3.01Å; D212-W215 PolarHBondContact O-N 3.33Å; W215-V218 HydrophobicContact CE3-CB 4.15Å; W215-V218 HydrophobicContact CE3-CG1 4.04Å; W215-V218 HydrophobicContact CE3-CG2 4.43Å; W215-V218 HydrophobicContact CZ3-CG1 4.08Å; W215-S219 VanDerWaalsContact O-CB 3.26Å; W215-S219 WeakPolarHBondContact O-CB 3.38Å; W215-S219 PolarHBondContact O-N 2.96Å; W215-S219 PolarHBondContact O-OG 2.67Å; W215-V228 HydrophobicContact CH2-CG1 3.74Å; W215-V228 HydrophobicContact CZ3-CG1 3.77Å; W215-M232 HydrophobicContact CH2-CE 4.18Å; W215-M232 HydrophobicContact CH2-CG 4.19Å; W215-M232 HydrophobicContact CH2-SD 3.89Å; W215-M232 HydrophobicContact CZ2-CE 4.02Å; W215-M232 HydrophobicContact CZ2-SD 3.9Å; W215-F502 AromaticContact CH2-CD1 3.6Å; W215-F502 HydrophobicContact CH2-CD1 3.6Å; W215-F502 AromaticContact CH2-CE1 3.63Å; W215-F502 HydrophobicContact CH2-CE1 3.63Å; W215-F502 AromaticContact CZ3-CD1 3.93Å; W215-F502 HydrophobicContact CZ3-CD1 3.93Å; W215-F502 AromaticContact CZ3-CE1 3.74Å; W215-F502 HydrophobicContact CZ3-CE1 3.74Å; W215-E505 HydrophobicContact CZ2-CB 3.57Å; W215-E505 HydrophobicContact CZ2-CG 4.14Å; W215-E505 PolarHBondContact NE1-OE2 2.85Å; W215-L506 HydrophobicContact CB-CD2 4.1Å; W215-L506 HydrophobicContact CD2-CD2 3.5Å; W215-L506 HydrophobicContact CD2-CG 4.44Å; W215-L506 HydrophobicContact CE3-CD2 3.82Å; W215-L506 HydrophobicContact CG-CD2 3.63Å; W215-L506 HydrophobicContact CZ3-CD2 4.47Å; W215-V509 HydrophobicContact CB-CG2 3.85Å; W215-V509 HydrophobicContact CG-CG2 3.78Å; W215-I514 VanDerWaalsContact C-CG2 3.41Å; W215-I514 HydrophobicContact CB-CG2 3.63Å; W215-V518 HydrophobicContact CB-CG2 4.28Å; W215-V518 HydrophobicContact CE3-CG1 3.93Å; W215-V518 HydrophobicContact CE3-CG2 3.86Å; W215-V518 HydrophobicContact CZ3-CG1 3.97Å
216	D	98.9	Very high	98.8	Very high	51 Å²	51	25.3 Å²	25.3	27%	0.273	13%	0.131	S	C	.	.	H	α-helix	trans	-60.9	-52.5	168.3	-166.6	37.4	0	0	0	110.3	D212 F214 V218 S219 L220 I514	D212-D216 WeakPolarHBondContact O-CB 3.2Å; D212-D216 PolarHBondContact O-N 3.49Å; F214-D216 VanDerWaalsContact C-N 3.31Å; F214-D216 PolarHBondContact O-N 3.23Å; D216-V218 PolarHBondContact O-N 3.45Å; D216-S219 PolarHBondContact O-N 3.43Å; D216-S219 PolarHBondContact O-OG 3.22Å; D216-L220 WeakPolarHBondContact O-CG 3.44Å; D216-L220 PolarHBondContact O-N 3.12Å; D216-I514 HydrophobicContact CB-CD1 3.9Å; D216-I514 HydrophobicContact CB-CG1 4.47Å
217	Y	98.9	Very high	98.8	Very high	25 Å²	25	20.5 Å²	20.5	10%	0.098	11%	0.109	C	C	.	.	H	α-helix	trans	-58.2	-48.2	178.1	-173.4	-84.3	0	0	0	111.7	I183 K188 D191 F192 A195 T213 F214 S219 L220 Q221 T224	I183-Y217 HydrophobicContact CG2-CE1 4.32Å; K188-Y217 WeakPolarHBondContact CE-OH 3.4Å; D191-Y217 HydrophobicContact CB-CE2 3.76Å; F192-Y217 HydrophobicContact CB-CE1 4.06Å; F192-Y217 HydrophobicContact CD2-CD1 4.09Å; F192-Y217 AromaticContact CD2-CE1 3.91Å; F192-Y217 HydrophobicContact CD2-CE1 3.91Å; F192-Y217 HydrophobicContact CG-CE1 4.49Å; A195-Y217 HydrophobicContact CB-CD2 4.14Å; A195-Y217 HydrophobicContact CB-CG 3.92Å; T213-Y217 PolarHBondContact O-N 3.43Å; T213-Y217 VanDerWaalsContact O-N 3.16Å; F214-Y217 PolarHBondContact O-N 3.49Å; Y217-S219 VanDerWaalsContact C-N 3.31Å; Y217-S219 PolarHBondContact O-N 2.91Å; Y217-L220 PolarHBondContact O-N 2.84Å; Y217-Q221 HydrophobicContact CD1-CB 4.24Å; Y217-Q221 HydrophobicContact CD1-CG 4.3Å; Y217-Q221 HydrophobicContact CE1-CB 3.88Å; Y217-Q221 HydrophobicContact CE1-CG 3.88Å; Y217-Q221 HydrophobicContact CE2-CG 4.17Å; Y217-Q221 WeakPolarHBondContact O-CB 3.37Å; Y217-Q221 PolarHBondContact O-N 3.09Å; Y217-T224 HydrophobicContact CD1-CG2 4.05Å; Y217-T224 HydrophobicContact CE1-CG2 3.73Å
218	V	98.9	Very high	98.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.5	-43.5	177.6	169.7	0	0	0	0	111.3	F214 W215 D216 L220 Q221 L225 V228	F214-V218 HydrophobicContact CD1-CG2 4.28Å; F214-V218 HydrophobicContact CD2-CG2 4.42Å; F214-V218 HydrophobicContact CE1-CG2 3.85Å; F214-V218 HydrophobicContact CE2-CG2 4.02Å; F214-V218 HydrophobicContact CZ-CG2 3.72Å; F214-V218 WeakPolarHBondContact O-CG2 3.42Å; F214-V218 PolarHBondContact O-N 3Å; W215-V218 HydrophobicContact CE3-CB 4.15Å; W215-V218 HydrophobicContact CE3-CG1 4.04Å; W215-V218 HydrophobicContact CE3-CG2 4.43Å; W215-V218 HydrophobicContact CZ3-CG1 4.08Å; D216-V218 PolarHBondContact O-N 3.45Å; V218-L220 PolarHBondContact O-N 3.32Å; V218-Q221 CarbonylContact O-C 3.6Å; V218-Q221 PolarHBondContact O-N 3.4Å; V218-L225 HydrophobicContact CG1-CD2 4.04Å; V218-V228 HydrophobicContact CG1-CG2 4.13Å; V218-V228 HydrophobicContact CG2-CG2 3.87Å
219	S	98.8	Very high	98.9	Very high	5 Å²	5	17.1 Å²	17.1	4%	0.035	9%	0.092	C	C	.	.	H	α-helix	trans	-64.4	-25.5	-178.8	81	0	0	0	0	113.8	W215 D216 Y217 Q521	W215-S219 VanDerWaalsContact O-CB 3.26Å; W215-S219 WeakPolarHBondContact O-CB 3.38Å; W215-S219 PolarHBondContact O-N 2.96Å; W215-S219 PolarHBondContact O-OG 2.67Å; D216-S219 PolarHBondContact O-N 3.43Å; D216-S219 PolarHBondContact O-OG 3.22Å; Y217-S219 VanDerWaalsContact C-N 3.31Å; Y217-S219 PolarHBondContact O-N 2.91Å; S219-Q521 PolarHBondContact O-NE2 3.29Å; S219-Q521 VanDerWaalsContact O-NE2 3.11Å
220	L	98.8	Very high	98.9	Very high	94 Å²	94	16.8 Å²	16.8	49%	0.492	9%	0.089	S	C	.	.	H	α-helix	trans	-98.9	-18.1	-178.4	-62.4	175.8	0	0	0	113.2	D216 Y217 V218	D216-L220 WeakPolarHBondContact O-CG 3.44Å; D216-L220 PolarHBondContact O-N 3.12Å; Y217-L220 PolarHBondContact O-N 2.84Å; V218-L220 PolarHBondContact O-N 3.32Å
221	Q	98.8	Very high	98.9	Very high	61 Å²	61	16.6 Å²	16.6	29%	0.285	9%	0.087	S	C	.	.			trans	-124	83.2	-177.6	-65.1	-61.3	128.7	0	0	110.5	Y217 V218 E223 T224	Y217-Q221 HydrophobicContact CD1-CB 4.24Å; Y217-Q221 HydrophobicContact CD1-CG 4.3Å; Y217-Q221 HydrophobicContact CE1-CB 3.88Å; Y217-Q221 HydrophobicContact CE1-CG 3.88Å; Y217-Q221 HydrophobicContact CE2-CG 4.17Å; Y217-Q221 WeakPolarHBondContact O-CB 3.37Å; Y217-Q221 PolarHBondContact O-N 3.09Å; V218-Q221 CarbonylContact O-C 3.6Å; V218-Q221 PolarHBondContact O-N 3.4Å; Q221-E223 HydrophobicContact CB-CG 4.45Å; Q221-E223 PolarHBondContact O-N 2.85Å; Q221-E223 VanDerWaalsContact O-N 3.08Å; Q221-T224 HydrophobicContact CB-CG2 4.11Å; Q221-T224 WeakPolarHBondContact O-CB 3.47Å; Q221-T224 WeakPolarHBondContact O-CG2 3.37Å; Q221-T224 PolarHBondContact O-N 3.09Å; Q221-T224 PolarHBondContact O-OG1 2.86Å
222	P	98.8	Very high	98.9	Very high	22 Å²	22	16.1 Å²	16.1	14%	0.143	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-62.5	-18.6	-176	25.1	-35.1	0	0	0	114.1	T224 L225 Y479 Y480	P222-T224 PolarHBondContact O-N 2.96Å; P222-L225 HydrophobicContact CB-CD1 3.85Å; P222-L225 WeakPolarHBondContact O-CB 3.11Å; P222-L225 WeakPolarHBondContact O-CD1 3.42Å; P222-L225 WeakPolarHBondContact O-CG 3.3Å; P222-L225 PolarHBondContact O-N 3.25Å; P222-Y479 HydrophobicContact CB-CD2 3.88Å; P222-Y479 HydrophobicContact CB-CG 3.99Å; P222-Y479 HydrophobicContact CG-CD2 3.52Å; P222-Y479 HydrophobicContact CG-CE2 3.89Å; P222-Y479 HydrophobicContact CG-CG 4.02Å; P222-Y480 HydrophobicContact CB-CE1 4.25Å
223	E	98.8	Very high	98.9	Very high	8 Å²	8	15.8 Å²	15.8	4%	0.037	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-53.8	-23.4	171	67.9	-178.7	-109.4	0	0	113.3	F182 I183 Q184 Q221 T332 R472 Y479	F182-E223 CarbonylContact O-C 3.55Å; I183-E223 WeakPolarHBondContact CA-OE1 3.33Å; I183-E223 WeakPolarHBondContact CB-OE1 3.3Å; Q184-E223 HydrophobicContact CG-CB 4.18Å; Q184-E223 PolarHBondContact N-OE1 2.7Å; Q221-E223 HydrophobicContact CB-CG 4.45Å; Q221-E223 PolarHBondContact O-N 2.85Å; Q221-E223 VanDerWaalsContact O-N 3.08Å; E223-T332 HydrophobicContact CB-CG2 4.49Å; E223-R472 IonicContact OE1-NH1 3.74Å; E223-R472 IonicContact OE2-CZ 2.72Å; E223-R472 IonicContact OE2-NH1 2.79Å; E223-R472 PolarHBondContact OE2-NH1 2.88Å; E223-R472 IonicContact OE2-NH2 3.14Å; E223-Y479 HydrophobicContact CB-CD1 4.05Å; E223-Y479 HydrophobicContact CB-CE1 4.12Å
224	T	98.9	Very high	98.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-74.6	-24.6	179.2	64.2	0	0	0	0	114.7	F182 I183 Y217 Q221 P222 H226 N227 V228	F182-T224 HydrophobicContact CB-CG2 4.41Å; F182-T224 WeakPolarHBondContact O-CA 3.3Å; F182-T224 VanDerWaalsContact O-CG2 3.31Å; F182-T224 WeakPolarHBondContact O-CG2 3.23Å; F182-T224 PolarHBondContact O-N 3.47Å; I183-T224 HydrophobicContact CG2-CG2 4.49Å; Y217-T224 HydrophobicContact CD1-CG2 4.05Å; Y217-T224 HydrophobicContact CE1-CG2 3.73Å; Q221-T224 HydrophobicContact CB-CG2 4.11Å; Q221-T224 WeakPolarHBondContact O-CB 3.47Å; Q221-T224 WeakPolarHBondContact O-CG2 3.37Å; Q221-T224 PolarHBondContact O-N 3.09Å; Q221-T224 PolarHBondContact O-OG1 2.86Å; P222-T224 PolarHBondContact O-N 2.96Å; T224-H226 PolarHBondContact O-N 3.06Å; T224-H226 VanDerWaalsContact O-N 3.09Å; T224-N227 PolarHBondContact O-N 2.92Å; T224-V228 VanDerWaalsContact O-CG2 3.31Å; T224-V228 WeakPolarHBondContact O-CG2 3.47Å; T224-V228 PolarHBondContact O-N 3.26Å
225	L	98.9	Very high	98.9	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-60.3	-32.1	-164	-69.8	166.4	0	0	0	112.8	V218 P222 V228 M229 Y480 P483 Q521 I525	V218-L225 HydrophobicContact CG1-CD2 4.04Å; P222-L225 HydrophobicContact CB-CD1 3.85Å; P222-L225 WeakPolarHBondContact O-CB 3.11Å; P222-L225 WeakPolarHBondContact O-CD1 3.42Å; P222-L225 WeakPolarHBondContact O-CG 3.3Å; P222-L225 PolarHBondContact O-N 3.25Å; L225-V228 PolarHBondContact O-N 3.19Å; L225-M229 VanDerWaalsContact O-CG 3.3Å; L225-M229 WeakPolarHBondContact O-CG 3.4Å; L225-M229 PolarHBondContact O-N 3.26Å; L225-Y480 HydrophobicContact CD1-CD1 3.98Å; L225-Y480 HydrophobicContact CD1-CE1 3.61Å; L225-P483 HydrophobicContact CB-CG 4.23Å; L225-Q521 HydrophobicContact CD1-CB 3.92Å; L225-Q521 HydrophobicContact CD1-CG 4.46Å; L225-Q521 HydrophobicContact CD2-CB 4.06Å; L225-I525 HydrophobicContact CB-CD1 4.19Å; L225-I525 HydrophobicContact CD1-CD1 4.29Å
226	H	98.9	Very high	98.9	Very high	4 Å²	4	14 Å²	14	2%	0.019	7%	0.073	C	C	.	.	H	α-helix	trans	-64.8	-54	-179.7	-169.3	-162.1	0	0	0	111.4	T224 V228 M229 W230 T332 H482 P483	T224-H226 PolarHBondContact O-N 3.06Å; T224-H226 VanDerWaalsContact O-N 3.09Å; H226-V228 VanDerWaalsContact C-N 3.26Å; H226-V228 PolarHBondContact O-N 3.31Å; H226-M229 WeakPolarHBondContact O-CB 3.19Å; H226-M229 PolarHBondContact O-N 3.06Å; H226-M229 VanDerWaalsContact O-N 3.14Å; H226-W230 AromaticContact CD2-CD1 3.75Å; H226-W230 AromaticContact CD2-NE1 3.55Å; H226-W230 AromaticContact NE2-CD1 3.83Å; H226-W230 AromaticContact NE2-NE1 3.13Å; H226-W230 PolarHBondContact NE2-NE1 3.39Å; H226-W230 VanDerWaalsContact NE2-NE1 3.13Å; H226-W230 VanDerWaalsContact O-CD1 3.22Å; H226-W230 PolarHBondContact O-N 3.47Å; H226-T332 PolarHBondContact ND1-O 3.46Å; H226-H482 AromaticContact CE1-ND1 3.92Å; H226-H482 WeakPolarHBondContact ND1-CB 3.46Å; H226-P483 HydrophobicContact CB-CG 3.91Å
227	N	98.9	Very high	98.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-72.3	-22.4	178.9	-152.1	36	0	0	0	112.6	T178 I180 F182 T224 W230 A231	T178-N227 WeakPolarHBondContact CB-OD1 3.36Å; T178-N227 PolarHBondContact OG1-OD1 2.8Å; I180-N227 HydrophobicContact CD1-CB 4.5Å; I180-N227 HydrophobicContact CG1-CB 3.84Å; I180-N227 PolarHBondContact O-ND2 3.03Å; I180-N227 PolarHBondContact O-OD1 3.33Å; F182-N227 HydrophobicContact CD1-CB 3.72Å; F182-N227 HydrophobicContact CD2-CB 4.36Å; F182-N227 VanDerWaalsContact CD2-ND2 3.3Å; F182-N227 WeakPolarHBondContact CD2-ND2 3.45Å; F182-N227 HydrophobicContact CE1-CB 3.9Å; F182-N227 WeakPolarHBondContact CE2-ND2 3.15Å; F182-N227 HydrophobicContact CG-CB 3.96Å; F182-N227 HydrophobicContact CZ-CB 4.32Å; F182-N227 WeakPolarHBondContact CZ-ND2 3.42Å; T224-N227 PolarHBondContact O-N 2.92Å; N227-W230 PolarHBondContact O-N 2.99Å; N227-A231 WeakPolarHBondContact O-CB 3.29Å; N227-A231 PolarHBondContact O-N 3.22Å
228	V	98.9	Very high	98.9	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	6%	0.056	C	C	.	.	H	α-helix	trans	-62.4	-44.5	168.2	173.3	0	0	0	0	110.8	F182 F214 W215 V218 T224 L225 H226 W230 A231 M232 F502	F182-V228 HydrophobicContact CD1-CG2 3.98Å; F182-V228 HydrophobicContact CE1-CG2 3.91Å; F214-V228 HydrophobicContact CZ-CG2 4.21Å; W215-V228 HydrophobicContact CH2-CG1 3.74Å; W215-V228 HydrophobicContact CZ3-CG1 3.77Å; V218-V228 HydrophobicContact CG1-CG2 4.13Å; V218-V228 HydrophobicContact CG2-CG2 3.87Å; T224-V228 VanDerWaalsContact O-CG2 3.31Å; T224-V228 WeakPolarHBondContact O-CG2 3.47Å; T224-V228 PolarHBondContact O-N 3.26Å; L225-V228 PolarHBondContact O-N 3.19Å; H226-V228 VanDerWaalsContact C-N 3.26Å; H226-V228 PolarHBondContact O-N 3.31Å; V228-W230 VanDerWaalsContact C-N 3.26Å; V228-W230 PolarHBondContact O-N 3.09Å; V228-A231 PolarHBondContact O-N 2.66Å; V228-A231 VanDerWaalsContact O-N 3.15Å; V228-M232 HydrophobicContact CG1-CG 4.07Å; V228-M232 WeakPolarHBondContact O-CB 3.16Å; V228-M232 VanDerWaalsContact O-CG 3.29Å; V228-M232 WeakPolarHBondContact O-CG 3.37Å; V228-M232 PolarHBondContact O-N 3.29Å; V228-F502 HydrophobicContact CG1-CE1 3.57Å; V228-F502 HydrophobicContact CG1-CZ 3.71Å
229	M	98.9	Very high	98.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57	-41.6	175.1	-72.5	-67.6	-70	0	0	111.9	L225 H226 S233 P483 F486 W487 I498 F502 L529	L225-M229 VanDerWaalsContact O-CG 3.3Å; L225-M229 WeakPolarHBondContact O-CG 3.4Å; L225-M229 PolarHBondContact O-N 3.26Å; H226-M229 WeakPolarHBondContact O-CB 3.19Å; H226-M229 PolarHBondContact O-N 3.06Å; H226-M229 VanDerWaalsContact O-N 3.14Å; M229-S233 PolarHBondContact O-N 3.05Å; M229-P483 HydrophobicContact CG-CB 3.96Å; M229-F486 HydrophobicContact CB-CD1 3.83Å; M229-F486 HydrophobicContact CB-CE1 4.21Å; M229-F486 HydrophobicContact CE-CD1 4.34Å; M229-W487 HydrophobicContact CE-CB 3.8Å; M229-W487 HydrophobicContact CE-CD2 4.49Å; M229-W487 HydrophobicContact CE-CE3 4Å; M229-W487 HydrophobicContact CE-CG 4.46Å; M229-I498 HydrophobicContact CE-CG2 4.08Å; M229-I498 HydrophobicContact SD-CG2 4.37Å; M229-F502 HydrophobicContact SD-CE2 3.58Å; M229-F502 VanDerWaalsContact SD-CE2 3.58Å; M229-F502 HydrophobicContact SD-CZ 3.8Å; M229-L529 HydrophobicContact CE-CD2 3.74Å; M229-L529 HydrophobicContact SD-CD2 3.78Å
230	W	98.9	Very high	98.9	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.011	6%	0.055	C	C	.	.	H	α-helix	trans	-65.9	-45.5	175.5	-74.2	68.4	0	0	0	111.8	T178 P179 I180 H226 N227 V228 M232 S233 R235 L334 F486 L563	T178-W230 HydrophobicContact CG2-CB 3.88Å; T178-W230 HydrophobicContact CG2-CD2 4.27Å; T178-W230 HydrophobicContact CG2-CE3 3.78Å; T178-W230 HydrophobicContact CG2-CG 4.36Å; P179-W230 HydrophobicContact CG-CH2 3.46Å; P179-W230 VanDerWaalsContact CG-CH2 3.46Å; P179-W230 HydrophobicContact CG-CZ2 3.36Å; P179-W230 HydrophobicContact CG-CZ3 4.08Å; I180-W230 VanDerWaalsContact CD1-CD1 3.5Å; I180-W230 HydrophobicContact CD1-CD2 4.02Å; I180-W230 HydrophobicContact CD1-CG 3.85Å; H226-W230 AromaticContact CD2-CD1 3.75Å; H226-W230 AromaticContact CD2-NE1 3.55Å; H226-W230 AromaticContact NE2-CD1 3.83Å; H226-W230 AromaticContact NE2-NE1 3.13Å; H226-W230 PolarHBondContact NE2-NE1 3.39Å; H226-W230 VanDerWaalsContact NE2-NE1 3.13Å; H226-W230 VanDerWaalsContact O-CD1 3.22Å; H226-W230 PolarHBondContact O-N 3.47Å; N227-W230 PolarHBondContact O-N 2.99Å; V228-W230 VanDerWaalsContact C-N 3.26Å; V228-W230 PolarHBondContact O-N 3.09Å; W230-M232 VanDerWaalsContact C-N 3.32Å; W230-M232 PolarHBondContact O-N 3.2Å; W230-S233 WeakPolarHBondContact O-CB 3.37Å; W230-S233 PolarHBondContact O-N 2.94Å; W230-S233 PolarHBondContact O-OG 2.76Å; W230-R235 HydrophobicContact CE3-CB 4.35Å; W230-R235 HydrophobicContact CE3-CG 3.82Å; W230-R235 HydrophobicContact CZ3-CG 4.2Å; W230-L334 HydrophobicContact CZ2-CD2 3.72Å; W230-F486 AromaticContact CD1-CD2 3.89Å; W230-F486 AromaticContact CD2-CD2 3.98Å; W230-F486 HydrophobicContact CD2-CD2 3.98Å; W230-F486 AromaticContact CD2-CE2 3.56Å; W230-F486 HydrophobicContact CD2-CE2 3.56Å; W230-F486 HydrophobicContact CD2-CZ 4.08Å; W230-F486 AromaticContact CE2-CD2 3.34Å; W230-F486 AromaticContact CE2-CE2 3.41Å; W230-F486 VanDerWaalsContact CE2-CE2 3.41Å; W230-F486 AromaticContact CE3-CE2 3.96Å; W230-F486 HydrophobicContact CE3-CE2 3.96Å; W230-F486 HydrophobicContact CE3-CZ 4.48Å; W230-F486 HydrophobicContact CG-CD2 4.33Å; W230-F486 HydrophobicContact CG-CE2 4.01Å; W230-F486 HydrophobicContact CG-CZ 4.13Å; W230-F486 HydrophobicContact CH2-CD2 4.33Å; W230-F486 HydrophobicContact CH2-CE2 4.06Å; W230-F486 AromaticContact CZ2-CD2 3.56Å; W230-F486 HydrophobicContact CZ2-CD2 3.56Å; W230-F486 AromaticContact CZ2-CE2 3.68Å; W230-F486 HydrophobicContact CZ2-CE2 3.68Å; W230-F486 HydrophobicContact CZ3-CE2 4.2Å; W230-F486 AromaticContact NE1-CD2 3.33Å; W230-F486 VanDerWaalsContact NE1-CD2 3.33Å; W230-F486 AromaticContact NE1-CE2 3.74Å; W230-F486 AromaticContact NE1-CG 3.73Å; W230-L563 HydrophobicContact CH2-CD2 4.19Å; W230-L563 HydrophobicContact CZ2-CD2 4.01Å
231	A	98.8	Very high	98.9	Very high	6 Å²	6	6.1 Å²	6.1	5%	0.05	3%	0.032	C	C	.	.	H	α-helix	trans	-64.7	-33.2	178.3	0	0	0	0	0	113.2	R155 I157 F182 N227 V228	R155-A231 WeakPolarHBondContact CD-O 3.4Å; R155-A231 VanDerWaalsContact CG-O 3.32Å; R155-A231 WeakPolarHBondContact CG-O 3.39Å; R155-A231 PolarHBondContact NH1-O 3.48Å; I157-A231 HydrophobicContact CD1-CB 4.23Å; F182-A231 HydrophobicContact CZ-CB 4.41Å; N227-A231 WeakPolarHBondContact O-CB 3.29Å; N227-A231 PolarHBondContact O-N 3.22Å; V228-A231 PolarHBondContact O-N 2.66Å; V228-A231 VanDerWaalsContact O-N 3.15Å
232	M	98.9	Very high	98.9	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-77.8	-22.7	176	-66.4	-57.6	106.6	0	0	112.8	R155 W215 V228 W230 I498 F502 E505	R155-M232 HydrophobicContact CG-CE 4.42Å; R155-M232 VanDerWaalsContact NH1-C 3.33Å; R155-M232 PolarHBondContact NH1-O 3.31Å; R155-M232 VanDerWaalsContact NH1-O 3.07Å; W215-M232 HydrophobicContact CH2-CE 4.18Å; W215-M232 HydrophobicContact CH2-CG 4.19Å; W215-M232 HydrophobicContact CH2-SD 3.89Å; W215-M232 HydrophobicContact CZ2-CE 4.02Å; W215-M232 HydrophobicContact CZ2-SD 3.9Å; V228-M232 HydrophobicContact CG1-CG 4.07Å; V228-M232 WeakPolarHBondContact O-CB 3.16Å; V228-M232 VanDerWaalsContact O-CG 3.29Å; V228-M232 WeakPolarHBondContact O-CG 3.37Å; V228-M232 PolarHBondContact O-N 3.29Å; W230-M232 VanDerWaalsContact C-N 3.32Å; W230-M232 PolarHBondContact O-N 3.2Å; M232-I498 HydrophobicContact CB-CG2 4.49Å; M232-F502 HydrophobicContact CB-CD2 3.83Å; M232-F502 HydrophobicContact CB-CE2 3.69Å; M232-F502 HydrophobicContact CB-CG 4.35Å; M232-F502 HydrophobicContact CB-CZ 4.14Å; M232-F502 HydrophobicContact CG-CD1 3.86Å; M232-F502 HydrophobicContact CG-CD2 3.82Å; M232-F502 HydrophobicContact CG-CE1 3.75Å; M232-F502 HydrophobicContact CG-CE2 3.7Å; M232-F502 HydrophobicContact CG-CG 3.9Å; M232-F502 HydrophobicContact CG-CZ 3.67Å; M232-F502 HydrophobicContact SD-CD1 4.4Å; M232-F502 HydrophobicContact SD-CG 4.45Å; M232-E505 HydrophobicContact CE-CG 4.02Å; M232-E505 HydrophobicContact SD-CB 4.36Å; M232-E505 HydrophobicContact SD-CG 3.77Å
233	S	98.9	Very high	98.9	Very high	3 Å²	3	3.4 Å²	3.4	2%	0.021	2%	0.017	C	C	.	.	S	Bend	trans	-71.2	173.8	168.4	83.7	0	0	0	0	112.2	R155 M229 W230 R235 G236	R155-S233 PolarHBondContact NH1-O 3.36Å; M229-S233 PolarHBondContact O-N 3.05Å; W230-S233 WeakPolarHBondContact O-CB 3.37Å; W230-S233 PolarHBondContact O-N 2.94Å; W230-S233 PolarHBondContact O-OG 2.76Å; S233-R235 PolarHBondContact O-N 3.02Å; S233-R235 VanDerWaalsContact O-N 3.14Å; S233-R235 VanDerWaalsContact OG-CB 3.25Å; S233-R235 WeakPolarHBondContact OG-CB 3.39Å; S233-R235 VanDerWaalsContact OG-CG 3.27Å; S233-R235 WeakPolarHBondContact OG-CG 3.47Å; S233-R235 PolarHBondContact OG-N 3.19Å; S233-G236 PolarHBondContact O-N 3.2Å; S233-G236 VanDerWaalsContact O-N 3.13Å
234	D	98.9	Very high	98.9	Very high	5 Å²	5	3.3 Å²	3.3	3%	0.027	2%	0.017	C	C	.	.	G	3₁₀ helix	trans	-66.5	-13.5	176.7	-66.7	-15.7	0	0	0	113	G236 I237 S276 H497 L565	D234-G236 PolarHBondContact O-N 2.86Å; D234-I237 HydrophobicContact CB-CG1 4.31Å; D234-I237 CarbonylContact O-C 3.56Å; D234-I237 VanDerWaalsContact O-CG1 3.28Å; D234-I237 WeakPolarHBondContact O-CG1 3.42Å; D234-I237 PolarHBondContact O-N 2.77Å; D234-S276 WeakPolarHBondContact O-CB 3.24Å; D234-S276 PolarHBondContact O-OG 3.24Å; D234-H497 WeakPolarHBondContact OD1-CB 3.42Å; D234-H497 IonicContact OD1-CG 3.33Å; D234-H497 IonicContact OD1-ND1 2.76Å; D234-H497 PolarHBondContact OD1-ND1 3.02Å; D234-H497 IonicContact OD2-CE1 2.72Å; D234-H497 IonicContact OD2-CG 2.92Å; D234-H497 IonicContact OD2-ND1 3.78Å; D234-H497 PolarHBondContact OD2-ND1 2.87Å; D234-L565 HydrophobicContact CB-CD1 3.96Å
235	R	98.8	Very high	98.9	Very high	6 Å²	6	3.7 Å²	3.7	2%	0.023	2%	0.018	C	C	.	.	G	3₁₀ helix	trans	-53.6	-28.1	169.2	-64.6	-85.1	-174.6	168	6	112.7	N177 W230 S233 I237 E245 L563 L565	N177-R235 PolarHBondContact ND2-O 3.36Å; W230-R235 HydrophobicContact CE3-CB 4.35Å; W230-R235 HydrophobicContact CE3-CG 3.82Å; W230-R235 HydrophobicContact CZ3-CG 4.2Å; S233-R235 PolarHBondContact O-N 3.02Å; S233-R235 VanDerWaalsContact O-N 3.14Å; S233-R235 VanDerWaalsContact OG-CB 3.25Å; S233-R235 WeakPolarHBondContact OG-CB 3.39Å; S233-R235 VanDerWaalsContact OG-CG 3.27Å; S233-R235 WeakPolarHBondContact OG-CG 3.47Å; S233-R235 PolarHBondContact OG-N 3.19Å; R235-I237 VanDerWaalsContact C-N 3.25Å; R235-I237 PolarHBondContact O-N 3.34Å; R235-E245 IonicContact CZ-OE2 3.84Å; R235-E245 IonicContact NH1-OE2 3.95Å; R235-E245 PolarHBondContact NH1-OE2 3.48Å; R235-E245 IonicContact NH2-OE2 3.21Å; R235-E245 PolarHBondContact NH2-OE2 2.89Å; R235-L563 PolarHBondContact NH2-O 3.49Å; R235-L565 HydrophobicContact CG-CD1 4.28Å; R235-L565 HydrophobicContact CG-CD2 4.43Å; R235-L565 HydrophobicContact CG-CG 4.31Å
236	G	98.8	Very high	98.9	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	G	3₁₀ helix	trans	-73.7	-9.7	176.6	0	0	0	0	0	114.8	V154 R155 D156 R158 S233 D234	V154-G236 VanDerWaalsContact O-O 3.09Å; R155-G236 WeakPolarHBondContact CA-O 3.29Å; D156-G236 PolarHBondContact N-O 3.08Å; D156-G236 CarbonylContact O-C 3.51Å; D156-G236 WeakPolarHBondContact O-CA 3.5Å; D156-G236 VanDerWaalsContact O-O 3.08Å; R158-G236 PolarHBondContact NH1-O 3.26Å; S233-G236 PolarHBondContact O-N 3.2Å; S233-G236 VanDerWaalsContact O-N 3.13Å; D234-G236 PolarHBondContact O-N 2.86Å
237	I	98.9	Very high	98.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.	S	Bend	trans	-137	58.4	-174.7	50.2	173.9	0	0	0	111.7	R155 D234 R235 L277 W279 A282	R155-I237 HydrophobicContact CB-CG2 4.06Å; D234-I237 HydrophobicContact CB-CG1 4.31Å; D234-I237 CarbonylContact O-C 3.56Å; D234-I237 VanDerWaalsContact O-CG1 3.28Å; D234-I237 WeakPolarHBondContact O-CG1 3.42Å; D234-I237 PolarHBondContact O-N 2.77Å; R235-I237 VanDerWaalsContact C-N 3.25Å; R235-I237 PolarHBondContact O-N 3.34Å; I237-L277 HydrophobicContact CB-CB 4.49Å; I237-L277 WeakPolarHBondContact CD1-O 3.21Å; I237-L277 PolarHBondContact O-N 3.09Å; I237-W279 HydrophobicContact CD1-CB 4.47Å; I237-W279 HydrophobicContact CG2-CE3 4.01Å; I237-W279 HydrophobicContact CG2-CZ3 4.07Å; I237-A282 HydrophobicContact CB-CB 4.03Å; I237-A282 HydrophobicContact CD1-CB 4.26Å; I237-A282 HydrophobicContact CG2-CB 3.85Å
238	P	98.9	Very high	98.9	Very high	2 Å²	2	4 Å²	4	1%	0.013	2%	0.02	C	C	.	.	B	Isolated β-bridge	trans	-58.5	149.3	-175.8	26	-34.7	0	0	0	112.5	R158 M244 H293	R158-P238 HydrophobicContact CG-CG 3.82Å; P238-M244 HydrophobicContact CB-CB 4.12Å; P238-M244 HydrophobicContact CG-SD 4.28Å; P238-H293 PolarHBondContact O-CE1 2.61Å; P238-H293 PolarHBondContact O-NE2 2.9Å
239	R	98.9	Very high	98.9	Very high	6 Å²	6	4.2 Å²	4.2	2%	0.023	2%	0.021	C	C	.	.	S	Bend	trans	-69.5	-39	179.3	168.8	59.1	-174.1	81	2.1	111.5	A275 L277 F292 H293 D638	R239-A275 HydrophobicContact CB-CB 4.07Å; R239-A275 WeakPolarHBondContact CB-O 3.18Å; R239-A275 PolarHBondContact N-O 3.05Å; R239-L277 HydrophobicContact CB-CD2 4.37Å; R239-F292 WeakPolarHBondContact O-CE1 3.41Å; R239-H293 PolarHBondContact O-NE2 2.93Å; R239-D638 IonicContact CZ-OD1 3.42Å; R239-D638 IonicContact CZ-OD2 2.67Å; R239-D638 IonicContact NE-OD1 2.69Å; R239-D638 PolarHBondContact NE-OD1 2.87Å; R239-D638 IonicContact NE-OD2 2.72Å; R239-D638 IonicContact NH2-OD1 3.81Å; R239-D638 PolarHBondContact NH2-OD1 2.97Å; R239-D638 IonicContact NH2-OD2 2.67Å; R239-D638 PolarHBondContact NH2-OD2 2.56Å
240	S	98.9	Very high	98.9	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.007	2%	0.021	C	C	.	.			trans	-152	158.4	176.4	166	0	0	0	0	108.4	R242 T243 E296	S240-R242 PolarHBondContact O-N 2.91Å; S240-R242 VanDerWaalsContact OG-CB 3.32Å; S240-R242 WeakPolarHBondContact OG-CB 3.49Å; S240-R242 PolarHBondContact OG-N 3.3Å; S240-T243 PolarHBondContact N-OG1 2.81Å; S240-T243 PolarHBondContact O-N 2.81Å; S240-T243 PolarHBondContact O-OG1 3.43Å; S240-E296 VanDerWaalsContact CB-OE2 3.31Å; S240-E296 WeakPolarHBondContact CB-OE2 3.49Å; S240-E296 VanDerWaalsContact OG-CD 3.26Å; S240-E296 PolarHBondContact OG-OE1 3.36Å; S240-E296 PolarHBondContact OG-OE2 2.79Å
241	Y	98.9	Very high	98.9	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.2	165.1	-62.6	-46.8	0	0	0	111.8	F141 T243 M244 H293 L297 Y309	F141-Y241 HydrophobicContact CB-CD1 3.55Å; F141-Y241 HydrophobicContact CB-CD2 3.65Å; F141-Y241 HydrophobicContact CB-CE1 3.63Å; F141-Y241 HydrophobicContact CB-CE2 3.73Å; F141-Y241 HydrophobicContact CB-CG 3.55Å; F141-Y241 HydrophobicContact CD1-CD1 4.21Å; F141-Y241 HydrophobicContact CD1-CG 4.08Å; F141-Y241 AromaticContact CD2-CD2 3.89Å; F141-Y241 HydrophobicContact CD2-CD2 3.89Å; F141-Y241 AromaticContact CD2-CG 3.91Å; F141-Y241 HydrophobicContact CD2-CG 3.91Å; F141-Y241 AromaticContact CG-CD1 3.92Å; F141-Y241 HydrophobicContact CG-CD1 3.92Å; F141-Y241 AromaticContact CG-CD2 3.88Å; F141-Y241 HydrophobicContact CG-CD2 3.88Å; F141-Y241 HydrophobicContact CG-CE1 4.49Å; F141-Y241 HydrophobicContact CG-CE2 4.46Å; F141-Y241 AromaticContact CG-CG 3.58Å; F141-Y241 HydrophobicContact CG-CG 3.58Å; Y241-T243 PolarHBondContact O-N 3.15Å; Y241-M244 HydrophobicContact CD1-CE 3.78Å; Y241-M244 HydrophobicContact CD1-SD 4.1Å; Y241-M244 WeakPolarHBondContact O-CG 3.24Å; Y241-H293 HydrophobicContact CD2-CB 3.93Å; Y241-H293 HydrophobicContact CE1-CB 4.3Å; Y241-H293 HydrophobicContact CE2-CB 3.46Å; Y241-H293 VanDerWaalsContact CE2-CB 3.46Å; Y241-L297 HydrophobicContact CD2-CB 4.44Å; Y241-L297 HydrophobicContact CD2-CD2 4.31Å; Y241-Y309 VanDerWaalsContact C-OH 3.25Å; Y241-Y309 PolarHBondContact O-OH 2.78Å
242	R	98.9	Very high	98.9	Very high	18 Å²	18	4.5 Å²	4.5	7%	0.068	2%	0.021	C	C	.	.	G	3₁₀ helix	trans	-64.4	-21	175	-66.9	174.4	43.9	173.7	-10.7	114.4	S240 P270 A272 D305 P307 Y309 K574	S240-R242 PolarHBondContact O-N 2.91Å; S240-R242 VanDerWaalsContact OG-CB 3.32Å; S240-R242 WeakPolarHBondContact OG-CB 3.49Å; S240-R242 PolarHBondContact OG-N 3.3Å; R242-P270 WeakPolarHBondContact O-CB 3.41Å; R242-A272 HydrophobicContact CB-CB 4.45Å; R242-D305 PolarHBondContact NH1-O 3.45Å; R242-P307 HydrophobicContact CG-CB 3.83Å; R242-P307 HydrophobicContact CG-CG 3.73Å; R242-Y309 WeakPolarHBondContact CA-OH 3.26Å; R242-Y309 PolarHBondContact N-OH 3.07Å; R242-K574 PolarHBondContact NH2-O 2.95Å
243	T	98.9	Very high	98.9	Very high	8 Å²	8	5 Å²	5	5%	0.049	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-115.9	25.3	-170.9	67.7	0	0	0	0	113	S240 Y241 A272 G273 K274 A275	S240-T243 PolarHBondContact N-OG1 2.81Å; S240-T243 PolarHBondContact O-N 2.81Å; S240-T243 PolarHBondContact O-OG1 3.43Å; Y241-T243 PolarHBondContact O-N 3.15Å; T243-A272 HydrophobicContact CG2-CB 4.18Å; T243-G273 CarbonylContact C-O 3.42Å; T243-G273 WeakPolarHBondContact CA-O 3.31Å; T243-G273 WeakPolarHBondContact CB-O 3.46Å; T243-K274 WeakPolarHBondContact O-CA 3.25Å; T243-A275 HydrophobicContact CG2-CB 4.21Å; T243-A275 PolarHBondContact O-N 3.08Å; T243-A275 PolarHBondContact OG1-O 2.75Å
244	M	98.9	Very high	98.9	Very high	6 Å²	6	4.9 Å²	4.9	3%	0.03	2%	0.023	C	C	.	.	S	Bend	trans	-121.9	148.3	174.4	74.7	-175	-173	0	0	110.6	F141 R158 F160 N177 P238 Y241	F141-M244 HydrophobicContact CD1-CE 3.49Å; F141-M244 VanDerWaalsContact CD1-CE 3.49Å; F141-M244 HydrophobicContact CE1-CE 4Å; F141-M244 HydrophobicContact CG-CE 4.44Å; R158-M244 HydrophobicContact CB-CE 3.99Å; R158-M244 HydrophobicContact CB-SD 3.68Å; R158-M244 HydrophobicContact CG-SD 3.94Å; F160-M244 HydrophobicContact CB-CE 4.43Å; F160-M244 HydrophobicContact CD2-CE 4.16Å; N177-M244 HydrophobicContact CB-CB 4.29Å; N177-M244 HydrophobicContact CB-CE 4.35Å; N177-M244 HydrophobicContact CB-CG 4.08Å; N177-M244 HydrophobicContact CB-SD 3.66Å; P238-M244 HydrophobicContact CB-CB 4.12Å; P238-M244 HydrophobicContact CG-SD 4.28Å; Y241-M244 HydrophobicContact CD1-CE 3.78Å; Y241-M244 HydrophobicContact CD1-SD 4.1Å; Y241-M244 WeakPolarHBondContact O-CG 3.24Å
245	E	98.9	Very high	98.9	Very high	7 Å²	7	5.3 Å²	5.3	3%	0.033	3%	0.025	C	C	.	.			trans	-71.6	165.4	167.8	-65.8	-179.8	122.9	0	0	110.7	N177 R235 F247 W268 K269 K274	N177-E245 WeakPolarHBondContact CA-O 3.49Å; N177-E245 WeakPolarHBondContact CB-O 3.45Å; R235-E245 IonicContact CZ-OE2 3.84Å; R235-E245 IonicContact NH1-OE2 3.95Å; R235-E245 PolarHBondContact NH1-OE2 3.48Å; R235-E245 IonicContact NH2-OE2 3.21Å; R235-E245 PolarHBondContact NH2-OE2 2.89Å; E245-F247 HydrophobicContact CB-CD2 4.46Å; E245-F247 HydrophobicContact CB-CE2 3.51Å; E245-F247 HydrophobicContact CB-CZ 3.61Å; E245-F247 HydrophobicContact CG-CZ 4.36Å; E245-W268 WeakPolarHBondContact CA-O 3.3Å; E245-K269 HydrophobicContact CG-CD 4.24Å; E245-K269 WeakPolarHBondContact OE1-CD 3.09Å; E245-K269 WeakPolarHBondContact OE1-CE 3.32Å; E245-K269 IonicContact OE1-NZ 3.17Å; E245-K269 PolarHBondContact OE1-NZ 3.32Å; E245-K274 HydrophobicContact CG-CD 3.95Å; E245-K274 HydrophobicContact CG-CG 4.08Å
246	G	98.9	Very high	98.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.2	170.9	0	0	0	0	0	110.8	N176 H267 W268	N176-G246 CarbonylContact O-C 3.52Å; N176-G246 VanDerWaalsContact O-CA 3.31Å; N176-G246 WeakPolarHBondContact O-CA 3.42Å; G246-H267 CarbonylContact O-C 3.56Å; G246-H267 WeakPolarHBondContact O-CA 3.39Å; G246-W268 PolarHBondContact N-O 3.24Å; G246-W268 PolarHBondContact O-N 3.47Å
247	F	98.9	Very high	98.8	Very high	9 Å²	9	7.8 Å²	7.8	4%	0.039	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.8	-174.8	-53.7	-91.4	0	0	0	110.6	G175 N176 N177 T178 P179 E245 I249 F266 H267	G175-F247 CarbonylContact C-O 3.37Å; G175-F247 WeakPolarHBondContact CA-O 3.34Å; N176-F247 PolarHBondContact N-O 3.08Å; N176-F247 PolarHBondContact O-N 3.39Å; N177-F247 WeakPolarHBondContact O-CE2 3.4Å; T178-F247 WeakPolarHBondContact O-CD2 3.31Å; P179-F247 HydrophobicContact CB-CD1 3.67Å; P179-F247 HydrophobicContact CB-CD2 4.34Å; P179-F247 HydrophobicContact CB-CE1 3.83Å; P179-F247 HydrophobicContact CB-CE2 4.49Å; P179-F247 HydrophobicContact CB-CG 3.93Å; P179-F247 HydrophobicContact CB-CZ 4.24Å; P179-F247 HydrophobicContact CG-CE1 4.49Å; P179-F247 HydrophobicContact CG-CZ 4.48Å; E245-F247 HydrophobicContact CB-CD2 4.46Å; E245-F247 HydrophobicContact CB-CE2 3.51Å; E245-F247 HydrophobicContact CB-CZ 3.61Å; E245-F247 HydrophobicContact CG-CZ 4.36Å; F247-I249 HydrophobicContact CB-CG1 4.48Å; F247-I249 PolarHBondContact O-N 2.67Å; F247-F266 WeakPolarHBondContact CA-O 3.32Å; F247-H267 AromaticContact CD1-CE1 3.62Å; F247-H267 AromaticContact CD1-ND1 3.44Å; F247-H267 WeakPolarHBondContact CD1-ND1 3.38Å; F247-H267 AromaticContact CE1-CE1 3.56Å; F247-H267 AromaticContact CE1-ND1 3.28Å; F247-H267 VanDerWaalsContact CE1-ND1 3.28Å; F247-H267 WeakPolarHBondContact CE1-ND1 3.15Å
248	G	98.4	Very high	98.8	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.021	8%	0.078	C	C	.	.			trans	-68.2	-14.8	168.8	0	0	0	0	0	113.4	H250 F266	G248-H250 PolarHBondContact O-CD2 2.9Å; G248-H250 VanDerWaalsContact O-CD2 3.3Å; G248-H250 PolarHBondContact O-N 3.04Å; G248-F266 PolarHBondContact N-O 2.9Å
249	I	98.8	Very high	98.8	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.031	10%	0.095	C	C	.	.			trans	63.8	-64.9	-173.2	-62.8	171.7	0	0	0	112.2	N176 I180 F181 F247 R265 P331	N176-I249 HydrophobicContact CB-CD1 4.07Å; I180-I249 WeakPolarHBondContact O-CD1 3.48Å; F181-I249 HydrophobicContact CB-CD1 4.27Å; F181-I249 HydrophobicContact CB-CG2 4.43Å; F181-I249 HydrophobicContact CD2-CD1 4.08Å; F247-I249 HydrophobicContact CB-CG1 4.48Å; F247-I249 PolarHBondContact O-N 2.67Å; I249-R265 VanDerWaalsContact O-CD 3.28Å; I249-R265 WeakPolarHBondContact O-CD 3.49Å; I249-R265 PolarHBondContact O-NE 3.01Å; I249-R265 VanDerWaalsContact O-NE 3.17Å; I249-R265 PolarHBondContact O-NH1 3.45Å; I249-P331 HydrophobicContact CG2-CB 4Å
250	H	98.9	Very high	98.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.116	C	C	.	.	S	Bend	trans	-67.1	149.3	-173.3	-47.2	-70	0	0	0	111.4	G248 F252 D380 L383 R386	G248-H250 PolarHBondContact O-CD2 2.9Å; G248-H250 VanDerWaalsContact O-CD2 3.3Å; G248-H250 PolarHBondContact O-N 3.04Å; H250-F252 HydrophobicContact CB-CD2 4.12Å; H250-F252 HydrophobicContact CB-CE2 3.69Å; H250-F252 HydrophobicContact CB-CZ 4.33Å; H250-F252 WeakPolarHBondContact O-CD2 3.46Å; H250-D380 WeakPolarHBondContact CB-OD2 3.45Å; H250-D380 IonicContact CE1-OD2 3.06Å; H250-D380 IonicContact CG-OD2 3.79Å; H250-D380 VanDerWaalsContact ND1-CG 3.35Å; H250-D380 IonicContact ND1-OD1 3.62Å; H250-D380 IonicContact ND1-OD2 3.91Å; H250-D380 PolarHBondContact ND1-OD2 2.77Å; H250-L383 HydrophobicContact CB-CB 4.25Å; H250-L383 HydrophobicContact CB-CD2 4.06Å; H250-R386 PolarHBondContact CD2-NH1 3.08Å; H250-R386 PolarHBondContact NE2-NH1 3.47Å
251	T	98.9	Very high	98.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.117	C	C	.	.			trans	-74.9	123.9	162.1	-56.2	0	0	0	0	108.3	F263 V264 R265 L328 T378	T251-F263 HydrophobicContact CG2-CB 3.69Å; T251-F263 HydrophobicContact CG2-CD1 3.6Å; T251-F263 HydrophobicContact CG2-CG 3.96Å; T251-V264 CarbonylContact C-O 3.56Å; T251-V264 WeakPolarHBondContact CA-O 3.39Å; T251-R265 PolarHBondContact OG1-NE 3.25Å; T251-L328 WeakPolarHBondContact CB-O 3.3Å; T251-L328 PolarHBondContact OG1-O 3.14Å; T251-T378 HydrophobicContact CG2-CG2 4.22Å; T251-T378 WeakPolarHBondContact O-CB 3.48Å; T251-T378 WeakPolarHBondContact O-CG2 3.46Å; T251-T378 PolarHBondContact O-OG1 2.92Å
252	F	98.9	Very high	98.7	Very high	13 Å²	13	22.1 Å²	22.1	6%	0.057	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-177.8	171.1	-72.3	-98.2	0	0	0	109.4	H250 F263 V264 F266 F377 L383	H250-F252 HydrophobicContact CB-CD2 4.12Å; H250-F252 HydrophobicContact CB-CE2 3.69Å; H250-F252 HydrophobicContact CB-CZ 4.33Å; H250-F252 WeakPolarHBondContact O-CD2 3.46Å; F252-F263 CarbonylContact O-C 3.5Å; F252-F263 WeakPolarHBondContact O-CA 3.36Å; F252-V264 HydrophobicContact CB-CG1 3.82Å; F252-V264 PolarHBondContact N-O 2.85Å; F252-V264 PolarHBondContact O-N 3.44Å; F252-F266 HydrophobicContact CB-CE2 3.85Å; F252-F266 HydrophobicContact CB-CZ 4.33Å; F252-F266 HydrophobicContact CD1-CE2 4.41Å; F252-F266 AromaticContact CD2-CD2 3.79Å; F252-F266 HydrophobicContact CD2-CD2 3.79Å; F252-F266 AromaticContact CD2-CE2 3.48Å; F252-F266 HydrophobicContact CD2-CE2 3.48Å; F252-F266 VanDerWaalsContact CD2-CE2 3.48Å; F252-F266 HydrophobicContact CE2-CD2 4.15Å; F252-F266 HydrophobicContact CE2-CE2 4.07Å; F252-F266 HydrophobicContact CG-CD2 4.44Å; F252-F266 AromaticContact CG-CE2 3.68Å; F252-F266 HydrophobicContact CG-CE2 3.68Å; F252-F377 HydrophobicContact CD1-CD1 4.37Å; F252-F377 HydrophobicContact CE1-CD1 4.16Å; F252-L383 HydrophobicContact CD1-CD2 4.15Å; F252-L383 HydrophobicContact CE1-CD1 3.99Å; F252-L383 HydrophobicContact CE1-CD2 3.78Å; F252-L383 HydrophobicContact CE2-CD2 4.49Å; F252-L383 HydrophobicContact CZ-CD1 3.78Å; F252-L383 HydrophobicContact CZ-CD2 3.96Å
253	R	98.9	Very high	98.7	Very high	12 Å²	12	21.4 Å²	21.4	5%	0.045	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.9	169.8	-70.2	-179.6	170.5	110	-4.3	111.5	I255 T262 F263 L375 D376 F377 T378 E462	R253-I255 HydrophobicContact CB-CD1 3.97Å; R253-T262 WeakPolarHBondContact CA-O 3.48Å; R253-F263 HydrophobicContact CG-CD1 4.17Å; R253-F263 HydrophobicContact CG-CE1 4.34Å; R253-L375 CarbonylContact O-C 3.38Å; R253-L375 WeakPolarHBondContact O-CA 3.42Å; R253-D376 HydrophobicContact CB-CB 4.09Å; R253-D376 PolarHBondContact N-O 3.23Å; R253-D376 PolarHBondContact O-N 3.05Å; R253-F377 PolarHBondContact NH1-O 3.29Å; R253-T378 HydrophobicContact CG-CG2 3.98Å; R253-E462 IonicContact CZ-OE2 3.81Å; R253-E462 IonicContact NH1-OE2 3.02Å; R253-E462 PolarHBondContact NH1-OE2 3.42Å; R253-E462 IonicContact NH2-OE2 2.94Å; R253-E462 PolarHBondContact NH2-OE2 3.49Å
254	L	98.9	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129	160.2	-60.5	-176.3	0	0	0	108.4	I122 A261 T262 V264 F313 L315 G374 L375	I122-L254 HydrophobicContact CD1-CD1 3.8Å; I122-L254 HydrophobicContact CG1-CD1 4.16Å; I122-L254 CarbonylContact O-C 3.55Å; I122-L254 VanDerWaalsContact O-CB 3.27Å; I122-L254 WeakPolarHBondContact O-CB 3.47Å; L254-A261 CarbonylContact O-C 3.48Å; L254-A261 WeakPolarHBondContact O-CA 3.38Å; L254-T262 PolarHBondContact N-O 2.97Å; L254-T262 PolarHBondContact O-N 2.82Å; L254-V264 HydrophobicContact CD1-CB 4.18Å; L254-V264 HydrophobicContact CD1-CG1 4.43Å; L254-V264 HydrophobicContact CD1-CG2 4.24Å; L254-V264 HydrophobicContact CD2-CB 4.48Å; L254-V264 HydrophobicContact CD2-CG1 3.86Å; L254-V264 HydrophobicContact CG-CB 3.89Å; L254-V264 HydrophobicContact CG-CG1 3.68Å; L254-V264 HydrophobicContact CG-CG2 4.37Å; L254-F313 HydrophobicContact CD1-CD2 3.89Å; L254-F313 HydrophobicContact CD1-CE2 3.95Å; L254-L315 HydrophobicContact CD1-CD2 3.67Å; L254-G374 WeakPolarHBondContact CA-O 3.38Å; L254-L375 HydrophobicContact CD2-CD2 3.29Å
255	I	98.9	Very high	98.7	Very high	13 Å²	13	21.1 Å²	21.1	7%	0.067	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.9	179	-48.3	-58	0	0	0	108.6	T123 K124 R253 K260 A261 G374 D376 Y460	T123-I255 CarbonylContact C-O 3.58Å; T123-I255 WeakPolarHBondContact CA-O 3.49Å; K124-I255 PolarHBondContact N-O 3.18Å; R253-I255 HydrophobicContact CB-CD1 3.97Å; I255-K260 WeakPolarHBondContact CA-O 3.2Å; I255-A261 HydrophobicContact CD1-CB 3.68Å; I255-G374 PolarHBondContact N-O 3.08Å; I255-G374 WeakPolarHBondContact O-CA 3.41Å; I255-D376 HydrophobicContact CD1-CB 4.48Å; I255-D376 HydrophobicContact CG1-CB 4.12Å; I255-Y460 HydrophobicContact CD1-CD2 3.99Å; I255-Y460 HydrophobicContact CD1-CG 3.96Å
256	N	98.6	Very high	98.7	Very high	11 Å²	11	21 Å²	21	6%	0.059	12%	0.116	C	C	.	.			trans	-82.7	-177.9	178.5	78.5	-0.2	0	0	0	112.4	D121 I122 E258 G259 K260	D121-N256 WeakPolarHBondContact O-CB 3.41Å; D121-N256 PolarHBondContact O-ND2 3.48Å; I122-N256 PolarHBondContact O-N 3.3Å; N256-E258 VanDerWaalsContact C-N 3.27Å; N256-E258 PolarHBondContact ND2-OE2 3.32Å; N256-E258 PolarHBondContact O-N 3.34Å; N256-E258 WeakPolarHBondContact OD1-CA 3.42Å; N256-E258 PolarHBondContact OD1-N 3.03Å; N256-E258 PolarHBondContact OD1-OE2 3Å; N256-G259 PolarHBondContact O-N 3.01Å; N256-G259 PolarHBondContact OD1-N 3.27Å; N256-K260 PolarHBondContact N-O 2.74Å; N256-K260 WeakPolarHBondContact OD1-CB 3.37Å; N256-K260 PolarHBondContact OD1-N 2.97Å
257	A	98.4	Very high	98.7	Very high	47 Å²	47	21.3 Å²	21.3	39%	0.388	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-25.8	-178.6	0	0	0	0	0	113.3	G259 P452	A257-G259 VanDerWaalsContact C-N 3.28Å; A257-P452 HydrophobicContact CB-CB 3.93Å; A257-P452 HydrophobicContact CB-CG 4.48Å
258	E	98.1	Very high	98.7	Very high	148 Å²	148	21 Å²	21	69%	0.692	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-3	176.3	-59.7	72.3	-152.3	0	0	113.1	N256	N256-E258 VanDerWaalsContact C-N 3.27Å; N256-E258 PolarHBondContact ND2-OE2 3.32Å; N256-E258 PolarHBondContact O-N 3.34Å; N256-E258 WeakPolarHBondContact OD1-CA 3.42Å; N256-E258 PolarHBondContact OD1-N 3.03Å; N256-E258 PolarHBondContact OD1-OE2 3Å
259	G	98	Very high	98.8	Very high	36 Å²	36	21.7 Å²	21.7	37%	0.371	12%	0.118	S	C	.	.			trans	82.5	9.8	-178.7	0	0	0	0	0	114.6	N256 A257	N256-G259 PolarHBondContact O-N 3.01Å; N256-G259 PolarHBondContact OD1-N 3.27Å; A257-G259 VanDerWaalsContact C-N 3.28Å
260	K	98.7	Very high	98.8	Very high	110 Å²	110	21.9 Å²	21.9	48%	0.478	12%	0.12	S	C	.	.			trans	-73	129.5	175.3	-175.7	-177.9	177.9	-179.5	0	110.1	I255 N256	I255-K260 WeakPolarHBondContact CA-O 3.2Å; N256-K260 PolarHBondContact N-O 2.74Å; N256-K260 WeakPolarHBondContact OD1-CB 3.37Å; N256-K260 PolarHBondContact OD1-N 2.97Å
261	A	98.8	Very high	98.8	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.025	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.2	171.4	0	0	0	0	0	111.9	L254 I255 Y460	L254-A261 CarbonylContact O-C 3.48Å; L254-A261 WeakPolarHBondContact O-CA 3.38Å; I255-A261 HydrophobicContact CD1-CB 3.68Å; A261-Y460 HydrophobicContact CB-CD1 4.24Å; A261-Y460 HydrophobicContact CB-CD2 4.19Å; A261-Y460 HydrophobicContact CB-CE1 3.9Å; A261-Y460 HydrophobicContact CB-CE2 3.88Å; A261-Y460 HydrophobicContact CB-CG 4.36Å
262	T	98.9	Very high	98.7	Very high	14 Å²	14	26.9 Å²	26.9	9%	0.086	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.7	167.3	-56.1	0	0	0	0	108	R253 L254 L315 I316	R253-T262 WeakPolarHBondContact CA-O 3.48Å; L254-T262 PolarHBondContact N-O 2.97Å; L254-T262 PolarHBondContact O-N 2.82Å; T262-L315 HydrophobicContact CG2-CB 4.1Å; T262-L315 HydrophobicContact CG2-CD2 4.07Å; T262-I316 WeakPolarHBondContact CG2-O 3.41Å
263	F	98.9	Very high	98.7	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.013	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.8	174.2	-69.6	-65	0	0	0	110.1	T251 F252 R253 L315 I316 E318 E321 L328 T378	T251-F263 HydrophobicContact CG2-CB 3.69Å; T251-F263 HydrophobicContact CG2-CD1 3.6Å; T251-F263 HydrophobicContact CG2-CG 3.96Å; F252-F263 CarbonylContact O-C 3.5Å; F252-F263 WeakPolarHBondContact O-CA 3.36Å; R253-F263 HydrophobicContact CG-CD1 4.17Å; R253-F263 HydrophobicContact CG-CE1 4.34Å; F263-L315 WeakPolarHBondContact O-CA 3.42Å; F263-I316 HydrophobicContact CB-CB 4.08Å; F263-I316 WeakPolarHBondContact CB-O 3.22Å; F263-I316 PolarHBondContact N-O 3.26Å; F263-I316 PolarHBondContact O-N 2.96Å; F263-E318 HydrophobicContact CE2-CG 4.34Å; F263-E321 HydrophobicContact CE2-CB 3.84Å; F263-E321 HydrophobicContact CE2-CG 3.92Å; F263-E321 HydrophobicContact CZ-CB 4.43Å; F263-E321 HydrophobicContact CZ-CG 4.05Å; F263-L328 HydrophobicContact CD2-CD1 4.33Å; F263-T378 HydrophobicContact CD1-CG2 3.94Å; F263-T378 HydrophobicContact CE1-CG2 3.9Å
264	V	98.9	Very high	98.7	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.5	-179.5	66.6	0	0	0	0	112.4	T251 F252 L254 F266 F313 Q314 L315	T251-V264 CarbonylContact C-O 3.56Å; T251-V264 WeakPolarHBondContact CA-O 3.39Å; F252-V264 HydrophobicContact CB-CG1 3.82Å; F252-V264 PolarHBondContact N-O 2.85Å; F252-V264 PolarHBondContact O-N 3.44Å; L254-V264 HydrophobicContact CD1-CB 4.18Å; L254-V264 HydrophobicContact CD1-CG1 4.43Å; L254-V264 HydrophobicContact CD1-CG2 4.24Å; L254-V264 HydrophobicContact CD2-CB 4.48Å; L254-V264 HydrophobicContact CD2-CG1 3.86Å; L254-V264 HydrophobicContact CG-CB 3.89Å; L254-V264 HydrophobicContact CG-CG1 3.68Å; L254-V264 HydrophobicContact CG-CG2 4.37Å; V264-F266 HydrophobicContact CG1-CE1 4.11Å; V264-F266 HydrophobicContact CG1-CE2 4.3Å; V264-F266 HydrophobicContact CG1-CZ 3.81Å; V264-F266 HydrophobicContact CG2-CD1 4.3Å; V264-F266 HydrophobicContact CG2-CE1 4.13Å; V264-F313 HydrophobicContact CG2-CB 3.77Å; V264-F313 HydrophobicContact CG2-CD1 3.99Å; V264-F313 HydrophobicContact CG2-CD2 4.15Å; V264-F313 HydrophobicContact CG2-CG 3.71Å; V264-Q314 VanDerWaalsContact CA-O 3.26Å; V264-Q314 WeakPolarHBondContact CA-O 3.48Å; V264-L315 HydrophobicContact CB-CD2 4.11Å; V264-L315 HydrophobicContact CG2-CD2 3.92Å
265	R	98.9	Very high	98.7	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.6	158	-69.8	-161	179.6	-168.6	7.3	110.3	I249 T251 Q314 L328 D330 K333 I335	I249-R265 VanDerWaalsContact O-CD 3.28Å; I249-R265 WeakPolarHBondContact O-CD 3.49Å; I249-R265 PolarHBondContact O-NE 3.01Å; I249-R265 VanDerWaalsContact O-NE 3.17Å; I249-R265 PolarHBondContact O-NH1 3.45Å; T251-R265 PolarHBondContact OG1-NE 3.25Å; R265-Q314 HydrophobicContact CB-CB 4.42Å; R265-Q314 PolarHBondContact N-O 3.26Å; R265-Q314 VanDerWaalsContact N-O 3.08Å; R265-Q314 PolarHBondContact O-N 3Å; R265-L328 PolarHBondContact NH2-O 3.41Å; R265-L328 VanDerWaalsContact NH2-O 3.11Å; R265-D330 PolarHBondContact NH2-O 3.02Å; R265-K333 VanDerWaalsContact CZ-O 3.29Å; R265-K333 PolarHBondContact NH1-O 3.49Å; R265-K333 PolarHBondContact NH2-O 3.21Å; R265-I335 HydrophobicContact CB-CD1 4.45Å; R265-I335 VanDerWaalsContact CD-CD1 3.48Å; R265-I335 HydrophobicContact CG-CD1 3.74Å
266	F	98.9	Very high	98.7	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136.4	-177.9	-58.8	-67.8	0	0	0	111.6	F171 L173 F247 G248 F252 V264 F313 L375	F171-F266 HydrophobicContact CZ-CZ 4.44Å; L173-F266 HydrophobicContact CD1-CB 3.83Å; L173-F266 HydrophobicContact CD1-CD2 3.46Å; L173-F266 VanDerWaalsContact CD1-CD2 3.46Å; L173-F266 HydrophobicContact CD1-CE2 4.17Å; L173-F266 HydrophobicContact CD1-CG 3.73Å; L173-F266 HydrophobicContact CD2-CB 3.94Å; L173-F266 HydrophobicContact CD2-CG 4.17Å; F247-F266 WeakPolarHBondContact CA-O 3.32Å; G248-F266 PolarHBondContact N-O 2.9Å; F252-F266 HydrophobicContact CB-CE2 3.85Å; F252-F266 HydrophobicContact CB-CZ 4.33Å; F252-F266 HydrophobicContact CD1-CE2 4.41Å; F252-F266 AromaticContact CD2-CD2 3.79Å; F252-F266 HydrophobicContact CD2-CD2 3.79Å; F252-F266 AromaticContact CD2-CE2 3.48Å; F252-F266 HydrophobicContact CD2-CE2 3.48Å; F252-F266 VanDerWaalsContact CD2-CE2 3.48Å; F252-F266 HydrophobicContact CE2-CD2 4.15Å; F252-F266 HydrophobicContact CE2-CE2 4.07Å; F252-F266 HydrophobicContact CG-CD2 4.44Å; F252-F266 AromaticContact CG-CE2 3.68Å; F252-F266 HydrophobicContact CG-CE2 3.68Å; V264-F266 HydrophobicContact CG1-CE1 4.11Å; V264-F266 HydrophobicContact CG1-CE2 4.3Å; V264-F266 HydrophobicContact CG1-CZ 3.81Å; V264-F266 HydrophobicContact CG2-CD1 4.3Å; V264-F266 HydrophobicContact CG2-CE1 4.13Å; F266-F313 AromaticContact CD1-CD1 3.71Å; F266-F313 HydrophobicContact CD1-CD1 3.71Å; F266-F313 AromaticContact CD1-CE1 3.4Å; F266-F313 HydrophobicContact CD1-CE1 3.4Å; F266-F313 HydrophobicContact CD1-CZ 4.24Å; F266-F313 HydrophobicContact CE1-CD1 4.13Å; F266-F313 AromaticContact CE1-CE1 3.61Å; F266-F313 HydrophobicContact CE1-CE1 3.61Å; F266-F313 AromaticContact CE1-CZ 3.99Å; F266-F313 HydrophobicContact CE1-CZ 3.99Å; F266-L375 HydrophobicContact CZ-CD2 4.49Å
267	H	98.9	Very high	98.7	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.032	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.5	177.5	-70.5	-113.6	0	0	0	110.7	G246 F247 L311 G312 Q314 V342	G246-H267 CarbonylContact O-C 3.56Å; G246-H267 WeakPolarHBondContact O-CA 3.39Å; F247-H267 AromaticContact CD1-CE1 3.62Å; F247-H267 AromaticContact CD1-ND1 3.44Å; F247-H267 WeakPolarHBondContact CD1-ND1 3.38Å; F247-H267 AromaticContact CE1-CE1 3.56Å; F247-H267 AromaticContact CE1-ND1 3.28Å; F247-H267 VanDerWaalsContact CE1-ND1 3.28Å; F247-H267 WeakPolarHBondContact CE1-ND1 3.15Å; H267-L311 CarbonylContact O-C 3.55Å; H267-L311 WeakPolarHBondContact O-CA 3.46Å; H267-G312 WeakPolarHBondContact CB-O 3.34Å; H267-G312 PolarHBondContact N-O 3.07Å; H267-G312 PolarHBondContact O-N 3.5Å; H267-Q314 VanDerWaalsContact NE2-CD 3.34Å; H267-Q314 PolarHBondContact NE2-OE1 2.99Å; H267-V342 HydrophobicContact CB-CG1 3.88Å; H267-V342 HydrophobicContact CB-CG2 4.47Å
268	W	98.9	Very high	98.8	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.011	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.3	163.8	-69.5	116.2	0	0	0	108	F113 F160 T162 F164 L173 E245 G246 E310 L311 M348	F113-W268 HydrophobicContact CD2-CH2 4.21Å; F160-W268 HydrophobicContact CE2-CB 3.86Å; F160-W268 AromaticContact CE2-CD1 3.95Å; F160-W268 AromaticContact CE2-CG 3.97Å; F160-W268 HydrophobicContact CE2-CG 3.97Å; F160-W268 HydrophobicContact CZ-CB 4.29Å; F160-W268 AromaticContact CZ-CD1 3.97Å; F160-W268 HydrophobicContact CZ-CD2 4.44Å; F160-W268 HydrophobicContact CZ-CG 4Å; T162-W268 HydrophobicContact CG2-CZ2 4.24Å; F164-W268 HydrophobicContact CE1-CH2 4.46Å; F164-W268 HydrophobicContact CE2-CZ2 4.37Å; F164-W268 AromaticContact CZ-CH2 3.89Å; F164-W268 HydrophobicContact CZ-CH2 3.89Å; F164-W268 AromaticContact CZ-CZ2 3.7Å; F164-W268 HydrophobicContact CZ-CZ2 3.7Å; L173-W268 HydrophobicContact CD2-CZ2 4.12Å; E245-W268 WeakPolarHBondContact CA-O 3.3Å; G246-W268 PolarHBondContact N-O 3.24Å; G246-W268 PolarHBondContact O-N 3.47Å; W268-E310 WeakPolarHBondContact CA-O 3.41Å; W268-L311 HydrophobicContact CD2-CD1 4.19Å; W268-L311 HydrophobicContact CE3-CB 3.98Å; W268-L311 HydrophobicContact CE3-CD1 4.21Å; W268-L311 HydrophobicContact CH2-CB 3.88Å; W268-L311 HydrophobicContact CH2-CD1 3.92Å; W268-L311 HydrophobicContact CH2-CD2 4.5Å; W268-L311 HydrophobicContact CH2-CG 4.31Å; W268-L311 HydrophobicContact CZ2-CD1 3.89Å; W268-L311 HydrophobicContact CZ3-CB 3.48Å; W268-L311 VanDerWaalsContact CZ3-CB 3.48Å; W268-L311 HydrophobicContact CZ3-CD1 4.09Å; W268-L311 HydrophobicContact CZ3-CG 4.32Å; W268-M348 HydrophobicContact CD2-CE 4.26Å; W268-M348 HydrophobicContact CE3-CE 4.19Å; W268-M348 HydrophobicContact CH2-CB 3.84Å; W268-M348 HydrophobicContact CH2-CE 3.97Å; W268-M348 HydrophobicContact CH2-SD 3.91Å; W268-M348 HydrophobicContact CZ2-CE 4.05Å; W268-M348 HydrophobicContact CZ2-SD 4.15Å; W268-M348 HydrophobicContact CZ3-CB 3.64Å; W268-M348 HydrophobicContact CZ3-CE 4.03Å; W268-M348 HydrophobicContact CZ3-SD 4.4Å
269	K	98.8	Very high	98.8	Very high	15 Å²	15	19.2 Å²	19.2	7%	0.065	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.2	172.7	-60.5	-54.2	-162.8	179.9	0	109.7	E245 Y309 E310 E337 R344	E245-K269 HydrophobicContact CG-CD 4.24Å; E245-K269 WeakPolarHBondContact OE1-CD 3.09Å; E245-K269 WeakPolarHBondContact OE1-CE 3.32Å; E245-K269 IonicContact OE1-NZ 3.17Å; E245-K269 PolarHBondContact OE1-NZ 3.32Å; K269-Y309 CarbonylContact O-C 3.59Å; K269-Y309 WeakPolarHBondContact O-CA 3.38Å; K269-E310 PolarHBondContact N-O 3.36Å; K269-E310 PolarHBondContact O-N 3.1Å; K269-E337 IonicContact NZ-OE1 2.75Å; K269-E337 PolarHBondContact NZ-OE1 3.5Å; K269-E337 IonicContact NZ-OE2 3.5Å; K269-R344 VanDerWaalsContact CG-CZ 3.45Å
270	P	98.9	Very high	98.8	Very high	11 Å²	11	19.8 Å²	19.8	7%	0.071	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132	-178.2	28.7	-33.8	0	0	0	110.6	R242 A272 G273 K274 Y309	R242-P270 WeakPolarHBondContact O-CB 3.41Å; P270-A272 PolarHBondContact O-N 2.9Å; P270-G273 WeakPolarHBondContact CG-O 3.27Å; P270-G273 PolarHBondContact O-N 3.05Å; P270-K274 HydrophobicContact CG-CG 4.4Å; P270-Y309 HydrophobicContact CB-CD1 4.16Å; P270-Y309 HydrophobicContact CB-CE1 4.21Å
271	L	98.6	Very high	98.8	Very high	90 Å²	90	14.5 Å²	14.5	47%	0.471	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.4	175.1	-171.7	62.2	0	0	0	111.8	G273 E308	L271-G273 PolarHBondContact O-N 3.38Å; L271-E308 HydrophobicContact CB-CB 3.78Å; L271-E308 HydrophobicContact CD2-CB 3.79Å; L271-E308 HydrophobicContact CD2-CG 4.26Å; L271-E308 HydrophobicContact CG-CB 4.46Å; L271-E308 PolarHBondContact N-O 3.01Å
272	A	98.6	Very high	98.8	Very high	17 Å²	17	14.4 Å²	14.4	14%	0.14	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	2.2	176.5	0	0	0	0	0	113.7	R242 T243 P270	R242-A272 HydrophobicContact CB-CB 4.45Å; T243-A272 HydrophobicContact CG2-CB 4.18Å; P270-A272 PolarHBondContact O-N 2.9Å
273	G	98.6	Very high	98.8	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.031	9%	0.087	C	C	.	.			trans	75.3	179.9	-177.6	0	0	0	0	0	113.8	T243 P270 L271 D570	T243-G273 CarbonylContact C-O 3.42Å; T243-G273 WeakPolarHBondContact CA-O 3.31Å; T243-G273 WeakPolarHBondContact CB-O 3.46Å; P270-G273 WeakPolarHBondContact CG-O 3.27Å; P270-G273 PolarHBondContact O-N 3.05Å; L271-G273 PolarHBondContact O-N 3.38Å; G273-D570 VanDerWaalsContact CA-OD1 3.28Å; G273-D570 WeakPolarHBondContact CA-OD1 3.48Å
274	K	98.9	Very high	98.8	Very high	18 Å²	18	19.2 Å²	19.2	8%	0.078	10%	0.096	C	C	.	.			trans	-96.8	120.7	-176.8	-65.2	174.8	-59.6	-178.2	0	110	T243 E245 P270 S564 L565 D570	T243-K274 WeakPolarHBondContact O-CA 3.25Å; E245-K274 HydrophobicContact CG-CD 3.95Å; E245-K274 HydrophobicContact CG-CG 4.08Å; P270-K274 HydrophobicContact CG-CG 4.4Å; K274-S564 PolarHBondContact NZ-O 3.02Å; K274-L565 HydrophobicContact CB-CD2 3.73Å; K274-L565 HydrophobicContact CD-CD2 4.42Å; K274-L565 WeakPolarHBondContact CE-O 3.46Å; K274-L565 HydrophobicContact CG-CD2 4.43Å; K274-D570 WeakPolarHBondContact CE-OD2 3.28Å; K274-D570 WeakPolarHBondContact CG-OD2 3.16Å; K274-D570 PolarHBondContact N-OD1 2.83Å; K274-D570 PolarHBondContact N-OD2 2.87Å
275	A	98.9	Very high	98.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.			trans	-148.3	140.1	179.6	0	0	0	0	0	111.8	R239 T243	R239-A275 HydrophobicContact CB-CB 4.07Å; R239-A275 WeakPolarHBondContact CB-O 3.18Å; R239-A275 PolarHBondContact N-O 3.05Å; T243-A275 HydrophobicContact CG2-CB 4.21Å; T243-A275 PolarHBondContact O-N 3.08Å; T243-A275 PolarHBondContact OG1-O 2.75Å
276	S	98.9	Very high	98.8	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.021	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-135.5	152.3	-177.5	-62.3	0	0	0	0	111.8	D234 L565 Y566 H714	D234-S276 WeakPolarHBondContact O-CB 3.24Å; D234-S276 PolarHBondContact O-OG 3.24Å; S276-L565 WeakPolarHBondContact OG-CD1 3.49Å; S276-Y566 WeakPolarHBondContact CB-OH 3.43Å; S276-Y566 PolarHBondContact N-OH 2.89Å; S276-Y566 PolarHBondContact O-OH 2.83Å; S276-H714 PolarHBondContact O-NE2 3.23Å
277	L	98.9	Very high	98.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.			trans	-67.7	172.6	170	-54.8	177.3	0	0	0	110.2	T153 I237 R239 E281 A282 L285	T153-L277 HydrophobicContact CG2-CD1 3.93Å; I237-L277 HydrophobicContact CB-CB 4.49Å; I237-L277 WeakPolarHBondContact CD1-O 3.21Å; I237-L277 PolarHBondContact O-N 3.09Å; R239-L277 HydrophobicContact CB-CD2 4.37Å; L277-E281 HydrophobicContact CD2-CG 4.42Å; L277-A282 HydrophobicContact CB-CB 3.96Å; L277-A282 HydrophobicContact CD1-CB 3.82Å; L277-L285 HydrophobicContact CD1-CD2 4.09Å
278	V	98.8	Very high	98.8	Very high	13 Å²	13	31.4 Å²	31.4	8%	0.079	17%	0.166	C	C	.	.			trans	-100.9	157.7	162	-63.1	0	0	0	0	110.2	D280 E281 A282 H666	V278-D280 PolarHBondContact O-N 3.06Å; V278-E281 HydrophobicContact CG2-CB 3.76Å; V278-E281 PolarHBondContact N-OE2 2.91Å; V278-E281 WeakPolarHBondContact O-CB 3.33Å; V278-E281 PolarHBondContact O-N 2.91Å; V278-E281 VanDerWaalsContact O-N 3.16Å; V278-A282 WeakPolarHBondContact O-CB 3.13Å; V278-A282 PolarHBondContact O-N 3.4Å; V278-H666 HydrophobicContact CG2-CB 4.27Å
279	W	98.8	Very high	98.8	Very high	45 Å²	45	32.1 Å²	32.1	17%	0.17	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-47.4	-167.5	179.4	-121.9	0	0	0	114.8	R155 I237 E281 A282 Q283 F504	R155-W279 HydrophobicContact CB-CE3 4.15Å; R155-W279 HydrophobicContact CB-CH2 3.89Å; R155-W279 HydrophobicContact CB-CZ3 3.41Å; R155-W279 VanDerWaalsContact CB-CZ3 3.41Å; I237-W279 HydrophobicContact CD1-CB 4.47Å; I237-W279 HydrophobicContact CG2-CE3 4.01Å; I237-W279 HydrophobicContact CG2-CZ3 4.07Å; W279-E281 VanDerWaalsContact C-N 3.26Å; W279-E281 PolarHBondContact O-N 3.32Å; W279-A282 HydrophobicContact CE3-CB 4.38Å; W279-A282 PolarHBondContact O-N 3.14Å; W279-Q283 HydrophobicContact CZ2-CB 4.27Å; W279-Q283 HydrophobicContact CZ2-CG 4.37Å; W279-Q283 WeakPolarHBondContact O-CB 3.03Å; W279-Q283 PolarHBondContact O-N 3.13Å; W279-F504 AromaticContact CE2-CD1 3.8Å; W279-F504 AromaticContact CE2-CE1 3.64Å; W279-F504 AromaticContact CE2-CZ 3.85Å; W279-F504 AromaticContact CZ2-CD1 3.87Å; W279-F504 HydrophobicContact CZ2-CD1 3.87Å; W279-F504 AromaticContact CZ2-CE1 3.33Å; W279-F504 HydrophobicContact CZ2-CE1 3.33Å; W279-F504 AromaticContact CZ2-CZ 3.71Å; W279-F504 HydrophobicContact CZ2-CZ 3.71Å; W279-F504 AromaticContact NE1-CD1 3.38Å; W279-F504 AromaticContact NE1-CD2 3.37Å; W279-F504 AromaticContact NE1-CE1 3.43Å; W279-F504 AromaticContact NE1-CE2 3.36Å; W279-F504 AromaticContact NE1-CG 3.35Å; W279-F504 AromaticContact NE1-CZ 3.38Å
280	D	98.8	Very high	98.8	Very high	48 Å²	48	34 Å²	34	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-60.1	-37.7	179	-178.5	69.9	0	0	0	112.1	V278 K284 K665 H666	V278-D280 PolarHBondContact O-N 3.06Å; D280-K284 WeakPolarHBondContact O-CB 3.45Å; D280-K284 WeakPolarHBondContact O-CG 3.39Å; D280-K284 PolarHBondContact O-N 2.82Å; D280-K284 VanDerWaalsContact O-N 3.09Å; D280-K284 WeakPolarHBondContact OD2-CE 3.25Å; D280-K284 IonicContact OD2-NZ 2.73Å; D280-K284 PolarHBondContact OD2-NZ 2.89Å; D280-K665 VanDerWaalsContact CG-NZ 3.33Å; D280-K665 IonicContact OD1-NZ 2.75Å; D280-K665 PolarHBondContact OD1-NZ 3.15Å; D280-K665 WeakPolarHBondContact OD2-CE 3.14Å; D280-K665 IonicContact OD2-NZ 3.15Å; D280-K665 PolarHBondContact OD2-NZ 3.5Å; D280-H666 IonicContact OD2-CD2 2.73Å; D280-H666 IonicContact OD2-CE1 3.73Å; D280-H666 IonicContact OD2-NE2 2.82Å; D280-H666 PolarHBondContact OD2-NE2 3.49Å
281	E	98.9	Very high	98.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-52.8	174.8	179.3	-174.4	-159.9	0	0	110.9	L277 V278 W279 Q283 K284 L285 L635 H666 K668 R715	L277-E281 HydrophobicContact CD2-CG 4.42Å; V278-E281 HydrophobicContact CG2-CB 3.76Å; V278-E281 PolarHBondContact N-OE2 2.91Å; V278-E281 WeakPolarHBondContact O-CB 3.33Å; V278-E281 PolarHBondContact O-N 2.91Å; V278-E281 VanDerWaalsContact O-N 3.16Å; W279-E281 VanDerWaalsContact C-N 3.26Å; W279-E281 PolarHBondContact O-N 3.32Å; E281-Q283 VanDerWaalsContact C-N 3.33Å; E281-Q283 PolarHBondContact O-N 3.07Å; E281-K284 PolarHBondContact O-N 3.14Å; E281-L285 WeakPolarHBondContact O-CB 3.37Å; E281-L285 PolarHBondContact O-N 3.33Å; E281-L635 HydrophobicContact CB-CD2 4.44Å; E281-L635 HydrophobicContact CG-CD2 4.03Å; E281-H666 PolarHBondContact N-NE2 3.36Å; E281-K668 WeakPolarHBondContact OE1-CE 3.32Å; E281-K668 IonicContact OE1-NZ 2.9Å; E281-K668 PolarHBondContact OE1-NZ 3.04Å; E281-R715 VanDerWaalsContact CD-NH2 3.33Å; E281-R715 IonicContact OE1-CZ 2.73Å; E281-R715 IonicContact OE1-NH2 3.7Å; E281-R715 PolarHBondContact OE1-NH2 2.97Å; E281-R715 VanDerWaalsContact OE1-NH2 3.14Å; E281-R715 IonicContact OE2-CZ 3.48Å; E281-R715 IonicContact OE2-NH1 3.05Å; E281-R715 PolarHBondContact OE2-NH1 2.87Å; E281-R715 IonicContact OE2-NH2 3.68Å; E281-R715 PolarHBondContact OE2-NH2 3.4Å
282	A	98.9	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-46.2	-179	0	0	0	0	0	111.5	T153 I237 L277 V278 W279 L285 T286	T153-A282 PolarHBondContact OG1-O 2.84Å; I237-A282 HydrophobicContact CB-CB 4.03Å; I237-A282 HydrophobicContact CD1-CB 4.26Å; I237-A282 HydrophobicContact CG2-CB 3.85Å; L277-A282 HydrophobicContact CB-CB 3.96Å; L277-A282 HydrophobicContact CD1-CB 3.82Å; V278-A282 WeakPolarHBondContact O-CB 3.13Å; V278-A282 PolarHBondContact O-N 3.4Å; W279-A282 HydrophobicContact CE3-CB 4.38Å; W279-A282 PolarHBondContact O-N 3.14Å; A282-L285 PolarHBondContact O-N 2.72Å; A282-T286 WeakPolarHBondContact O-CG2 3.39Å; A282-T286 PolarHBondContact O-N 3.35Å
283	Q	98.8	Very high	98.8	Very high	73 Å²	73	31.2 Å²	31.2	34%	0.341	17%	0.166	S	C	.	.	H	α-helix	trans	-62.7	-51.9	177.9	-170.2	-168.4	25.4	0	0	111.3	W279 E281 L285 T286	W279-Q283 HydrophobicContact CZ2-CB 4.27Å; W279-Q283 HydrophobicContact CZ2-CG 4.37Å; W279-Q283 WeakPolarHBondContact O-CB 3.03Å; W279-Q283 PolarHBondContact O-N 3.13Å; E281-Q283 VanDerWaalsContact C-N 3.33Å; E281-Q283 PolarHBondContact O-N 3.07Å; Q283-L285 PolarHBondContact O-N 3.14Å; Q283-T286 PolarHBondContact O-N 2.65Å; Q283-T286 PolarHBondContact O-OG1 3.18Å
284	K	98.8	Very high	98.8	Very high	46 Å²	46	33.8 Å²	33.8	20%	0.2	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-36.4	178.4	-77.6	-170	-79.5	176.7	0	111.6	D280 E281 T286 G287 R288 L635 Y658 E662 A728	D280-K284 WeakPolarHBondContact O-CB 3.45Å; D280-K284 WeakPolarHBondContact O-CG 3.39Å; D280-K284 PolarHBondContact O-N 2.82Å; D280-K284 VanDerWaalsContact O-N 3.09Å; D280-K284 WeakPolarHBondContact OD2-CE 3.25Å; D280-K284 IonicContact OD2-NZ 2.73Å; D280-K284 PolarHBondContact OD2-NZ 2.89Å; E281-K284 PolarHBondContact O-N 3.14Å; K284-T286 VanDerWaalsContact C-N 3.29Å; K284-T286 PolarHBondContact O-N 3.2Å; K284-G287 PolarHBondContact O-N 3.41Å; K284-G287 VanDerWaalsContact O-N 3.09Å; K284-R288 WeakPolarHBondContact O-CG 3.32Å; K284-R288 PolarHBondContact O-N 3.03Å; K284-L635 HydrophobicContact CB-CD1 3.62Å; K284-L635 HydrophobicContact CB-CD2 4.23Å; K284-Y658 PolarHBondContact NZ-OH 2.82Å; K284-E662 IonicContact NZ-OE1 2.73Å; K284-E662 PolarHBondContact NZ-OE1 2.86Å; K284-A728 PolarHBondContact NZ-OXT 2.86Å
285	L	98.8	Very high	98.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-31.4	-179.4	-171.7	53	0	0	0	112.2	T153 L277 E281 A282 Q283 G287 R288 D289 F292 L635 T636	T153-L285 HydrophobicContact CG2-CD2 3.83Å; T153-L285 HydrophobicContact CG2-CG 4.11Å; L277-L285 HydrophobicContact CD1-CD2 4.09Å; E281-L285 WeakPolarHBondContact O-CB 3.37Å; E281-L285 PolarHBondContact O-N 3.33Å; A282-L285 PolarHBondContact O-N 2.72Å; Q283-L285 PolarHBondContact O-N 3.14Å; L285-G287 PolarHBondContact O-N 3.36Å; L285-G287 VanDerWaalsContact O-N 3.13Å; L285-R288 PolarHBondContact O-N 2.79Å; L285-D289 HydrophobicContact CD1-CB 4.16Å; L285-D289 CarbonylContact O-C 3.55Å; L285-D289 PolarHBondContact O-N 3.02Å; L285-F292 HydrophobicContact CD1-CB 4.42Å; L285-F292 HydrophobicContact CD1-CD2 4.13Å; L285-F292 HydrophobicContact CD1-CG 4.3Å; L285-F292 HydrophobicContact CD2-CB 4.27Å; L285-F292 HydrophobicContact CD2-CD1 3.68Å; L285-F292 HydrophobicContact CD2-CD2 4.05Å; L285-F292 HydrophobicContact CD2-CE1 3.87Å; L285-F292 HydrophobicContact CD2-CE2 4.25Å; L285-F292 HydrophobicContact CD2-CG 3.74Å; L285-F292 HydrophobicContact CD2-CZ 4.14Å; L285-F292 HydrophobicContact CG-CB 4.22Å; L285-F292 HydrophobicContact CG-CD2 4.46Å; L285-F292 HydrophobicContact CG-CG 4.18Å; L285-L635 HydrophobicContact CB-CB 4.38Å; L285-L635 HydrophobicContact CB-CD1 4.33Å; L285-L635 HydrophobicContact CD1-CB 3.95Å; L285-T636 HydrophobicContact CD1-CG2 4.06Å
286	T	98.8	Very high	98.8	Very high	41 Å²	41	38.7 Å²	38.7	25%	0.252	19%	0.194	S	C	.	.	H	α-helix	trans	-58.9	-27.4	173.1	68.1	0	0	0	0	113.6	A151 T153 V154 A282 Q283 K284	A151-T286 HydrophobicContact CB-CG2 3.74Å; T153-T286 WeakPolarHBondContact OG1-CG2 3.34Å; T153-T286 PolarHBondContact OG1-N 3.33Å; V154-T286 HydrophobicContact CG1-CG2 4.05Å; A282-T286 WeakPolarHBondContact O-CG2 3.39Å; A282-T286 PolarHBondContact O-N 3.35Å; Q283-T286 PolarHBondContact O-N 2.65Å; Q283-T286 PolarHBondContact O-OG1 3.18Å; K284-T286 VanDerWaalsContact C-N 3.29Å; K284-T286 PolarHBondContact O-N 3.2Å
287	G	98.5	Very high	98.8	Very high	63 Å²	63	38.7 Å²	38.7	65%	0.649	19%	0.193	S	C	*	.	H	α-helix	trans	-90.1	-25.8	174.8	0	0	0	0	0	114.4	K284 L285	K284-G287 PolarHBondContact O-N 3.41Å; K284-G287 VanDerWaalsContact O-N 3.09Å; L285-G287 PolarHBondContact O-N 3.36Å; L285-G287 VanDerWaalsContact O-N 3.13Å
288	R	98.7	Very high	98.8	Very high	170 Å²	170	41 Å²	41	64%	0.642	20%	0.202	S	C	*	.	H	α-helix	trans	-90.7	-37.2	-176.4	-61.7	-57.2	-174.3	177	2.2	113.3	K284 L285 P633 L635	K284-R288 WeakPolarHBondContact O-CG 3.32Å; K284-R288 PolarHBondContact O-N 3.03Å; L285-R288 PolarHBondContact O-N 2.79Å; R288-P633 HydrophobicContact CB-CG 4.07Å; R288-P633 HydrophobicContact CG-CG 4.06Å; R288-L635 HydrophobicContact CB-CD1 4.17Å; R288-L635 HydrophobicContact CG-CD1 3.69Å
289	D	98.7	Very high	98.8	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.102	20%	0.203	C	C	.	.			trans	-149.3	87.2	171.7	-172.2	10.5	0	0	0	109.2	L285 D291 F292 R295	L285-D289 HydrophobicContact CD1-CB 4.16Å; L285-D289 CarbonylContact O-C 3.55Å; L285-D289 PolarHBondContact O-N 3.02Å; D289-D291 PolarHBondContact O-N 2.67Å; D289-D291 VanDerWaalsContact O-N 3.08Å; D289-D291 PolarHBondContact OD1-N 2.74Å; D289-F292 HydrophobicContact CB-CB 4.27Å; D289-F292 WeakPolarHBondContact O-CB 3.37Å; D289-F292 PolarHBondContact O-N 3.49Å; D289-F292 VanDerWaalsContact O-N 3.12Å; D289-R295 IonicContact OD1-CZ 3.86Å; D289-R295 IonicContact OD1-NE 3.66Å; D289-R295 IonicContact OD1-NH2 3.9Å; D289-R295 PolarHBondContact OD1-NH2 3.04Å; D289-R295 IonicContact OD2-CZ 3.43Å; D289-R295 IonicContact OD2-NE 3.2Å; D289-R295 PolarHBondContact OD2-NE 2.83Å; D289-R295 IonicContact OD2-NH2 2.78Å
290	P	98.8	Very high	98.8	Very high	53 Å²	53	39.5 Å²	39.5	34%	0.344	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.2	178	26.8	-34.7	0	0	0	113	A151 D152	A151-P290 WeakPolarHBondContact CA-O 3.46Å; A151-P290 HydrophobicContact CB-CB 3.86Å; D152-P290 PolarHBondContact N-O 3.4Å
291	D	98.8	Very high	98.8	Very high	52 Å²	52	37.7 Å²	37.7	28%	0.278	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	16.7	177.8	-60.4	-63.6	0	0	0	113.1	R105 D152 D289 H293 R294 R295	R105-D291 IonicContact CZ-OD1 2.65Å; R105-D291 IonicContact NH1-OD1 3.82Å; R105-D291 PolarHBondContact NH1-OD1 2.93Å; R105-D291 VanDerWaalsContact NH1-OD1 3.15Å; R105-D291 IonicContact NH2-OD1 3.81Å; R105-D291 PolarHBondContact NH2-OD1 3.47Å; D152-D291 VanDerWaalsContact OD2-CA 3.31Å; D152-D291 WeakPolarHBondContact OD2-CA 3.47Å; D289-D291 PolarHBondContact O-N 2.67Å; D289-D291 VanDerWaalsContact O-N 3.08Å; D289-D291 PolarHBondContact OD1-N 2.74Å; D291-H293 PolarHBondContact O-N 2.99Å; D291-R294 HydrophobicContact CB-CB 4.47Å; D291-R294 WeakPolarHBondContact O-CB 3.46Å; D291-R294 PolarHBondContact O-N 2.67Å; D291-R294 VanDerWaalsContact O-N 3.17Å; D291-R294 IonicContact OD1-NH1 2.83Å; D291-R295 VanDerWaalsContact O-CB 3.3Å; D291-R295 WeakPolarHBondContact O-CB 3.46Å; D291-R295 PolarHBondContact O-N 2.65Å
292	F	98.9	Very high	98.7	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.039	19%	0.189	C	C	.	.	H	α-helix	trans	-54.2	-49.8	-171.9	-179	-105.8	0	0	0	114.5	D152 T153 R239 L285 D289 R295 E296	D152-F292 PolarHBondContact OD2-N 3.25Å; T153-F292 HydrophobicContact CG2-CB 4Å; T153-F292 HydrophobicContact CG2-CD1 3.73Å; T153-F292 HydrophobicContact CG2-CG 4.26Å; R239-F292 WeakPolarHBondContact O-CE1 3.41Å; L285-F292 HydrophobicContact CD1-CB 4.42Å; L285-F292 HydrophobicContact CD1-CD2 4.13Å; L285-F292 HydrophobicContact CD1-CG 4.3Å; L285-F292 HydrophobicContact CD2-CB 4.27Å; L285-F292 HydrophobicContact CD2-CD1 3.68Å; L285-F292 HydrophobicContact CD2-CD2 4.05Å; L285-F292 HydrophobicContact CD2-CE1 3.87Å; L285-F292 HydrophobicContact CD2-CE2 4.25Å; L285-F292 HydrophobicContact CD2-CG 3.74Å; L285-F292 HydrophobicContact CD2-CZ 4.14Å; L285-F292 HydrophobicContact CG-CB 4.22Å; L285-F292 HydrophobicContact CG-CD2 4.46Å; L285-F292 HydrophobicContact CG-CG 4.18Å; D289-F292 HydrophobicContact CB-CB 4.27Å; D289-F292 WeakPolarHBondContact O-CB 3.37Å; D289-F292 PolarHBondContact O-N 3.49Å; D289-F292 VanDerWaalsContact O-N 3.12Å; F292-R295 PolarHBondContact O-N 3.13Å; F292-E296 VanDerWaalsContact O-CB 3.22Å; F292-E296 WeakPolarHBondContact O-CB 3.26Å; F292-E296 PolarHBondContact O-N 2.96Å
293	H	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72	-33.7	-180	-64.8	153.5	0	0	0	111.9	D152 P238 R239 Y241 D291 L297	D152-H293 HydrophobicContact CB-CB 3.83Å; D152-H293 PolarHBondContact O-ND1 3.45Å; D152-H293 PolarHBondContact OD2-N 3Å; D152-H293 VanDerWaalsContact OD2-N 3.12Å; P238-H293 PolarHBondContact O-CE1 2.61Å; P238-H293 PolarHBondContact O-NE2 2.9Å; R239-H293 PolarHBondContact O-NE2 2.93Å; Y241-H293 HydrophobicContact CD2-CB 3.93Å; Y241-H293 HydrophobicContact CE1-CB 4.3Å; Y241-H293 HydrophobicContact CE2-CB 3.46Å; Y241-H293 VanDerWaalsContact CE2-CB 3.46Å; D291-H293 PolarHBondContact O-N 2.99Å; H293-L297 WeakPolarHBondContact O-CB 3.49Å; H293-L297 PolarHBondContact O-N 2.83Å
294	R	98.9	Very high	98.6	Very high	56 Å²	56	36.4 Å²	36.4	21%	0.211	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-48.2	173.2	-179.4	172.7	-70.2	170.1	-1	111.2	R105 G106 S107 D152 D291 W298 F357	R105-R294 VanDerWaalsContact CZ-CZ 3.43Å; R105-R294 VanDerWaalsContact NH1-NH1 3.12Å; G106-R294 PolarHBondContact O-NH2 3.43Å; S107-R294 WeakPolarHBondContact OG-CA 3.47Å; S107-R294 WeakPolarHBondContact OG-CB 3.47Å; S107-R294 VanDerWaalsContact OG-CG 3.26Å; S107-R294 WeakPolarHBondContact OG-CG 3.19Å; S107-R294 PolarHBondContact OG-NE 3.2Å; D152-R294 WeakPolarHBondContact OD2-CB 3.38Å; D152-R294 PolarHBondContact OD2-N 3.26Å; D291-R294 HydrophobicContact CB-CB 4.47Å; D291-R294 WeakPolarHBondContact O-CB 3.46Å; D291-R294 PolarHBondContact O-N 2.67Å; D291-R294 VanDerWaalsContact O-N 3.17Å; D291-R294 IonicContact OD1-NH1 2.83Å; R294-W298 WeakPolarHBondContact O-CB 3.36Å; R294-W298 PolarHBondContact O-N 3.17Å; R294-W298 VanDerWaalsContact O-N 3.15Å; R294-F357 VanDerWaalsContact NH2-CZ 3.32Å
295	R	98.8	Very high	98.6	Very high	97 Å²	97	34.8 Å²	34.8	37%	0.366	18%	0.182	S	C	.	.	H	α-helix	trans	-64.2	-48.9	179.1	-174.4	-173.2	-46.8	-67.6	-7.7	110.7	D289 D291 F292 L297 W298 E299	D289-R295 IonicContact OD1-CZ 3.86Å; D289-R295 IonicContact OD1-NE 3.66Å; D289-R295 IonicContact OD1-NH2 3.9Å; D289-R295 PolarHBondContact OD1-NH2 3.04Å; D289-R295 IonicContact OD2-CZ 3.43Å; D289-R295 IonicContact OD2-NE 3.2Å; D289-R295 PolarHBondContact OD2-NE 2.83Å; D289-R295 IonicContact OD2-NH2 2.78Å; D291-R295 VanDerWaalsContact O-CB 3.3Å; D291-R295 WeakPolarHBondContact O-CB 3.46Å; D291-R295 PolarHBondContact O-N 2.65Å; F292-R295 PolarHBondContact O-N 3.13Å; R295-L297 PolarHBondContact O-N 3.09Å; R295-W298 PolarHBondContact O-N 2.68Å; R295-W298 VanDerWaalsContact O-N 3.15Å; R295-E299 HydrophobicContact CG-CG 4.15Å; R295-E299 WeakPolarHBondContact CG-OE1 3.49Å; R295-E299 WeakPolarHBondContact O-CB 3.43Å; R295-E299 WeakPolarHBondContact O-CG 3.39Å; R295-E299 PolarHBondContact O-N 2.83Å
296	E	98.8	Very high	98.6	Very high	25 Å²	25	38 Å²	38	12%	0.117	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-41.8	-178.2	-168.5	-81.7	169.7	0	0	111.8	S240 F292 W298 A300	S240-E296 VanDerWaalsContact CB-OE2 3.31Å; S240-E296 WeakPolarHBondContact CB-OE2 3.49Å; S240-E296 VanDerWaalsContact OG-CD 3.26Å; S240-E296 PolarHBondContact OG-OE1 3.36Å; S240-E296 PolarHBondContact OG-OE2 2.79Å; F292-E296 VanDerWaalsContact O-CB 3.22Å; F292-E296 WeakPolarHBondContact O-CB 3.26Å; F292-E296 PolarHBondContact O-N 2.96Å; E296-W298 PolarHBondContact O-N 3.21Å; E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.77Å
297	L	98.9	Very high	98.6	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-46.6	173.4	174.5	63.9	0	0	0	111.7	F141 Y241 H293 R295 I301 P307	F141-L297 HydrophobicContact CD2-CD2 3.83Å; F141-L297 HydrophobicContact CE2-CD1 4.22Å; F141-L297 HydrophobicContact CE2-CD2 4.12Å; Y241-L297 HydrophobicContact CD2-CB 4.44Å; Y241-L297 HydrophobicContact CD2-CD2 4.31Å; H293-L297 WeakPolarHBondContact O-CB 3.49Å; H293-L297 PolarHBondContact O-N 2.83Å; R295-L297 PolarHBondContact O-N 3.09Å; L297-I301 HydrophobicContact CD1-CD1 4.06Å; L297-I301 HydrophobicContact CG-CD1 4.35Å; L297-I301 WeakPolarHBondContact O-CG1 3.3Å; L297-I301 PolarHBondContact O-N 3.49Å; L297-P307 HydrophobicContact CD1-CG 3.55Å
298	W	98.8	Very high	98.6	Very high	48 Å²	48	35.4 Å²	35.4	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-52.1	-177.3	-166.8	-71.4	0	0	0	111.3	T25 A26 R294 R295 E296 A300 I301 E302 N353 P354	T25-W298 HydrophobicContact CG2-CG 4.45Å; A26-W298 VanDerWaalsContact O-CZ2 3.25Å; A26-W298 WeakPolarHBondContact O-CZ2 3.42Å; A26-W298 PolarHBondContact O-NE1 3.19Å; R294-W298 WeakPolarHBondContact O-CB 3.36Å; R294-W298 PolarHBondContact O-N 3.17Å; R294-W298 VanDerWaalsContact O-N 3.15Å; R295-W298 PolarHBondContact O-N 2.68Å; R295-W298 VanDerWaalsContact O-N 3.15Å; E296-W298 PolarHBondContact O-N 3.21Å; W298-A300 VanDerWaalsContact C-N 3.35Å; W298-A300 PolarHBondContact O-N 2.84Å; W298-I301 PolarHBondContact O-N 3.36Å; W298-E302 PolarHBondContact NE1-OE1 3.42Å; W298-E302 WeakPolarHBondContact O-CG 3.15Å; W298-E302 PolarHBondContact O-N 3.32Å; W298-N353 HydrophobicContact CD2-CB 3.84Å; W298-N353 VanDerWaalsContact CD2-CG 3.44Å; W298-N353 HydrophobicContact CE3-CB 4.01Å; W298-N353 HydrophobicContact CH2-CB 3.84Å; W298-N353 HydrophobicContact CZ2-CB 3.64Å; W298-N353 HydrophobicContact CZ3-CB 4.02Å; W298-N353 PolarHBondContact NE1-ND2 3Å; W298-N353 PolarHBondContact O-ND2 3.02Å; W298-P354 HydrophobicContact CH2-CG 4.06Å; W298-P354 WeakPolarHBondContact CH2-O 3.48Å; W298-P354 HydrophobicContact CZ3-CG 3.71Å
299	E	98.6	Very high	98.7	Very high	22 Å²	22	27.3 Å²	27.3	10%	0.103	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-35	-179.2	-70.5	178.3	167.2	0	0	111.9	P20 T25 R295 I301 E302 A303	P20-E299 HydrophobicContact CB-CB 3.96Å; P20-E299 HydrophobicContact CB-CG 4.5Å; P20-E299 WeakPolarHBondContact CB-OE2 3.33Å; P20-E299 HydrophobicContact CG-CB 4.34Å; T25-E299 HydrophobicContact CG2-CG 4.03Å; R295-E299 HydrophobicContact CG-CG 4.15Å; R295-E299 WeakPolarHBondContact CG-OE1 3.49Å; R295-E299 WeakPolarHBondContact O-CB 3.43Å; R295-E299 WeakPolarHBondContact O-CG 3.39Å; R295-E299 PolarHBondContact O-N 2.83Å; E299-I301 VanDerWaalsContact C-N 3.32Å; E299-I301 PolarHBondContact O-N 2.91Å; E299-E302 CarbonylContact O-C 3.58Å; E299-E302 PolarHBondContact O-N 2.96Å; E299-A303 VanDerWaalsContact O-CB 3.25Å; E299-A303 WeakPolarHBondContact O-CB 3.45Å; E299-A303 PolarHBondContact O-N 3.4Å
300	A	98.7	Very high	98.7	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.033	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-43.5	173.1	0	0	0	0	0	111.8	E296 W298 A303 G304 D305	E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.77Å; W298-A300 VanDerWaalsContact C-N 3.35Å; W298-A300 PolarHBondContact O-N 2.84Å; A300-A303 PolarHBondContact O-N 2.9Å; A300-G304 PolarHBondContact O-N 3.36Å; A300-D305 CarbonylContact O-C 3.58Å; A300-D305 WeakPolarHBondContact O-CA 3.13Å; A300-D305 PolarHBondContact O-N 2.95Å
301	I	98.6	Very high	98.7	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.051	12%	0.124	C	C	.	.	H	α-helix	trans	-66.3	-43.9	176.6	-70.1	165.7	0	0	0	110.6	A109 L297 W298 E299 A303 G304 P307 N353	A109-I301 HydrophobicContact CB-CD1 3.44Å; A109-I301 VanDerWaalsContact CB-CD1 3.44Å; L297-I301 HydrophobicContact CD1-CD1 4.06Å; L297-I301 HydrophobicContact CG-CD1 4.35Å; L297-I301 WeakPolarHBondContact O-CG1 3.3Å; L297-I301 PolarHBondContact O-N 3.49Å; W298-I301 PolarHBondContact O-N 3.36Å; E299-I301 VanDerWaalsContact C-N 3.32Å; E299-I301 PolarHBondContact O-N 2.91Å; I301-A303 PolarHBondContact O-N 2.97Å; I301-G304 PolarHBondContact O-N 3.44Å; I301-G304 VanDerWaalsContact O-N 3.15Å; I301-P307 HydrophobicContact CG1-CG 4.37Å; I301-N353 VanDerWaalsContact CD1-OD1 3.32Å; I301-N353 WeakPolarHBondContact CD1-OD1 3.38Å
302	E	98.2	Very high	98.7	Very high	11 Å²	11	23.7 Å²	23.7	5%	0.051	11%	0.11	C	C	.	.	H	α-helix	trans	-64.8	-27	175.5	-62.1	-159.7	170.3	0	0	113	P17 T18 T25 A26 K31 W298 E299 G304	P17-E302 CarbonylContact C-O 3.44Å; P17-E302 WeakPolarHBondContact CA-O 3.39Å; T18-E302 PolarHBondContact N-O 3.47Å; T25-E302 WeakPolarHBondContact CA-OE1 3.39Å; A26-E302 PolarHBondContact N-OE1 3.34Å; K31-E302 HydrophobicContact CD-CG 4.4Å; K31-E302 WeakPolarHBondContact CE-OE2 3.26Å; K31-E302 HydrophobicContact CG-CB 4.17Å; K31-E302 HydrophobicContact CG-CG 3.78Å; K31-E302 IonicContact NZ-OE2 3.27Å; W298-E302 PolarHBondContact NE1-OE1 3.42Å; W298-E302 WeakPolarHBondContact O-CG 3.15Å; W298-E302 PolarHBondContact O-N 3.32Å; E299-E302 CarbonylContact O-C 3.58Å; E299-E302 PolarHBondContact O-N 2.96Å; E302-G304 VanDerWaalsContact C-N 3.31Å
303	A	98	Very high	98.7	Very high	16 Å²	16	23.3 Å²	23.3	13%	0.132	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.5	176.6	0	0	0	0	0	113.5	T18 P20 E299 A300 I301 D305	T18-A303 VanDerWaalsContact O-CA 3.25Å; T18-A303 WeakPolarHBondContact O-CA 3.18Å; T18-A303 WeakPolarHBondContact O-CB 3.1Å; P20-A303 HydrophobicContact CG-CB 4.46Å; E299-A303 VanDerWaalsContact O-CB 3.25Å; E299-A303 WeakPolarHBondContact O-CB 3.45Å; E299-A303 PolarHBondContact O-N 3.4Å; A300-A303 PolarHBondContact O-N 2.9Å; I301-A303 PolarHBondContact O-N 2.97Å; A303-D305 VanDerWaalsContact C-N 3.25Å
304	G	97.7	Very high	98.7	Very high	19 Å²	19	23.5 Å²	23.5	20%	0.196	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	10.3	-172.9	0	0	0	0	0	113.9	A300 I301 E302 F306	A300-G304 PolarHBondContact O-N 3.36Å; I301-G304 PolarHBondContact O-N 3.44Å; I301-G304 VanDerWaalsContact O-N 3.15Å; E302-G304 VanDerWaalsContact C-N 3.31Å; G304-F306 PolarHBondContact O-N 3.37Å; G304-F306 VanDerWaalsContact O-N 3.16Å
305	D	98.4	Very high	98.7	Very high	12 Å²	12	22.1 Å²	22.1	6%	0.064	11%	0.106	C	C	.	.			trans	-89.7	62.3	171.9	-62.3	-34.4	0	0	0	109.9	R242 A300 A303 K574 G575 H604	R242-D305 PolarHBondContact NH1-O 3.45Å; A300-D305 CarbonylContact O-C 3.58Å; A300-D305 WeakPolarHBondContact O-CA 3.13Å; A300-D305 PolarHBondContact O-N 2.95Å; A303-D305 VanDerWaalsContact C-N 3.25Å; D305-K574 WeakPolarHBondContact OD1-CE 3.4Å; D305-K574 IonicContact OD1-NZ 3.39Å; D305-G575 WeakPolarHBondContact OD2-CA 3.47Å; D305-H604 IonicContact OD2-CD2 2.8Å; D305-H604 IonicContact OD2-CE1 2.8Å; D305-H604 PolarHBondContact OD2-CE1 3.42Å; D305-H604 IonicContact OD2-NE2 3.91Å; D305-H604 PolarHBondContact OD2-NE2 2.87Å
306	F	98.8	Very high	98.7	Very high	69 Å²	69	17.7 Å²	17.7	30%	0.303	9%	0.09	S	C	.	.			trans	-54	130.2	-174.8	-57.5	-39.8	0	0	0	111.7	G304 E308 V349 L350 N351	G304-F306 PolarHBondContact O-N 3.37Å; G304-F306 VanDerWaalsContact O-N 3.16Å; F306-E308 PolarHBondContact O-N 3.3Å; F306-V349 HydrophobicContact CB-CG1 3.66Å; F306-V349 HydrophobicContact CD2-CG1 4.17Å; F306-V349 HydrophobicContact CG-CG1 4.19Å; F306-L350 VanDerWaalsContact CB-O 3.27Å; F306-L350 WeakPolarHBondContact CB-O 3.33Å; F306-N351 HydrophobicContact CD1-CB 3.75Å; F306-N351 HydrophobicContact CD2-CB 4.09Å; F306-N351 HydrophobicContact CE1-CB 3.8Å; F306-N351 HydrophobicContact CE2-CB 4.14Å; F306-N351 HydrophobicContact CG-CB 3.9Å; F306-N351 HydrophobicContact CZ-CB 3.99Å
307	P	98.9	Very high	98.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	10%	0.097	C	C	.	.			trans	-55.6	121.3	165.9	-23.9	29.4	0	0	0	110.8	R242 L297 I301 Y309 V349 L350	R242-P307 HydrophobicContact CG-CB 3.83Å; R242-P307 HydrophobicContact CG-CG 3.73Å; L297-P307 HydrophobicContact CD1-CG 3.55Å; I301-P307 HydrophobicContact CG1-CG 4.37Å; P307-Y309 HydrophobicContact CB-CE2 3.66Å; P307-V349 WeakPolarHBondContact O-CA 3.27Å; P307-L350 HydrophobicContact CB-CB 4.04Å; P307-L350 HydrophobicContact CB-CD1 4.04Å; P307-L350 HydrophobicContact CB-CG 4.18Å; P307-L350 VanDerWaalsContact CD-O 3.32Å; P307-L350 WeakPolarHBondContact CD-O 3.41Å; P307-L350 HydrophobicContact CG-CB 4.1Å; P307-L350 HydrophobicContact CG-CD1 4.4Å; P307-L350 PolarHBondContact O-N 3.03Å
308	E	98.9	Very high	98.7	Very high	47 Å²	47	21.7 Å²	21.7	22%	0.22	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133	178.1	-66.1	-170.9	-121.5	0	0	110.4	L271 F306 K347 M348 V349	L271-E308 HydrophobicContact CB-CB 3.78Å; L271-E308 HydrophobicContact CD2-CB 3.79Å; L271-E308 HydrophobicContact CD2-CG 4.26Å; L271-E308 HydrophobicContact CG-CB 4.46Å; L271-E308 PolarHBondContact N-O 3.01Å; F306-E308 PolarHBondContact O-N 3.3Å; E308-K347 WeakPolarHBondContact OE2-CD 3.34Å; E308-K347 WeakPolarHBondContact OE2-CE 3.36Å; E308-K347 IonicContact OE2-NZ 2.83Å; E308-K347 PolarHBondContact OE2-NZ 3.13Å; E308-M348 WeakPolarHBondContact CA-O 3.45Å; E308-V349 HydrophobicContact CG-CB 4.47Å; E308-V349 HydrophobicContact CG-CG1 4.13Å; E308-V349 HydrophobicContact CG-CG2 4.05Å
309	Y	98.9	Very high	98.6	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131.6	179	-52.6	-94.5	0	0	0	110.1	F141 F160 Y241 R242 K269 P270 P307 M348 L350	F141-Y309 HydrophobicContact CZ-CE2 4.04Å; F141-Y309 AromaticContact CZ-CZ 3.85Å; F141-Y309 VanDerWaalsContact CZ-OH 3.28Å; F141-Y309 WeakPolarHBondContact CZ-OH 3.19Å; F160-Y309 AromaticContact CE2-CD1 3.78Å; F160-Y309 HydrophobicContact CE2-CD1 3.78Å; F160-Y309 AromaticContact CE2-CE1 3.71Å; F160-Y309 HydrophobicContact CE2-CE1 3.71Å; F160-Y309 HydrophobicContact CE2-CG 4.3Å; F160-Y309 AromaticContact CZ-CD1 3.89Å; F160-Y309 HydrophobicContact CZ-CD1 3.89Å; F160-Y309 HydrophobicContact CZ-CD2 4.04Å; F160-Y309 AromaticContact CZ-CE1 3.93Å; F160-Y309 HydrophobicContact CZ-CE1 3.93Å; F160-Y309 HydrophobicContact CZ-CE2 4.06Å; F160-Y309 AromaticContact CZ-CG 3.95Å; F160-Y309 HydrophobicContact CZ-CG 3.95Å; Y241-Y309 VanDerWaalsContact C-OH 3.25Å; Y241-Y309 PolarHBondContact O-OH 2.78Å; R242-Y309 WeakPolarHBondContact CA-OH 3.26Å; R242-Y309 PolarHBondContact N-OH 3.07Å; K269-Y309 CarbonylContact O-C 3.59Å; K269-Y309 WeakPolarHBondContact O-CA 3.38Å; P270-Y309 HydrophobicContact CB-CD1 4.16Å; P270-Y309 HydrophobicContact CB-CE1 4.21Å; P307-Y309 HydrophobicContact CB-CE2 3.66Å; Y309-M348 HydrophobicContact CD2-CE 3.63Å; Y309-M348 HydrophobicContact CE2-CE 4.35Å; Y309-M348 HydrophobicContact CG-CE 4.12Å; Y309-M348 PolarHBondContact N-O 2.78Å; Y309-M348 PolarHBondContact O-N 2.86Å; Y309-L350 HydrophobicContact CE2-CD1 4.21Å
310	E	98.9	Very high	98.7	Very high	46 Å²	46	26.3 Å²	26.3	22%	0.215	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.5	169.3	-61.7	-169.7	85	0	0	109.8	Y116 W268 K269 R344 G346	Y116-E310 WeakPolarHBondContact OH-CG 3.34Å; Y116-E310 PolarHBondContact OH-OE1 3.03Å; W268-E310 WeakPolarHBondContact CA-O 3.41Å; K269-E310 PolarHBondContact N-O 3.36Å; K269-E310 PolarHBondContact O-N 3.1Å; E310-R344 VanDerWaalsContact CD-CD 3.5Å; E310-R344 WeakPolarHBondContact OE1-CD 3.45Å; E310-R344 IonicContact OE1-NE 3.82Å; E310-R344 WeakPolarHBondContact OE2-CD 3.48Å; E310-R344 IonicContact OE2-CZ 3.24Å; E310-R344 IonicContact OE2-NE 2.77Å; E310-R344 PolarHBondContact OE2-NE 2.58Å; E310-G346 CarbonylContact C-O 3.51Å; E310-G346 WeakPolarHBondContact CA-O 3.45Å
311	L	98.9	Very high	98.7	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.5	166.5	-174.3	62.5	0	0	0	107.9	F113 L173 H267 W268 F313 V345 G346	F113-L311 HydrophobicContact CE2-CB 3.75Å; F113-L311 HydrophobicContact CE2-CD2 3.72Å; F113-L311 HydrophobicContact CE2-CG 4.41Å; F113-L311 HydrophobicContact CZ-CB 4.41Å; F113-L311 HydrophobicContact CZ-CD2 3.71Å; L173-L311 HydrophobicContact CD2-CD1 4.12Å; H267-L311 CarbonylContact O-C 3.55Å; H267-L311 WeakPolarHBondContact O-CA 3.46Å; W268-L311 HydrophobicContact CD2-CD1 4.19Å; W268-L311 HydrophobicContact CE3-CB 3.98Å; W268-L311 HydrophobicContact CE3-CD1 4.21Å; W268-L311 HydrophobicContact CH2-CB 3.88Å; W268-L311 HydrophobicContact CH2-CD1 3.92Å; W268-L311 HydrophobicContact CH2-CD2 4.5Å; W268-L311 HydrophobicContact CH2-CG 4.31Å; W268-L311 HydrophobicContact CZ2-CD1 3.89Å; W268-L311 HydrophobicContact CZ3-CB 3.48Å; W268-L311 VanDerWaalsContact CZ3-CB 3.48Å; W268-L311 HydrophobicContact CZ3-CD1 4.09Å; W268-L311 HydrophobicContact CZ3-CG 4.32Å; L311-F313 HydrophobicContact CD1-CE1 4.03Å; L311-F313 HydrophobicContact CD2-CE1 3.7Å; L311-F313 HydrophobicContact CD2-CZ 3.99Å; L311-F313 HydrophobicContact CG-CD1 4.38Å; L311-F313 HydrophobicContact CG-CE1 3.68Å; L311-F313 HydrophobicContact CG-CZ 4.41Å; L311-V345 HydrophobicContact CB-CG2 3.77Å; L311-V345 HydrophobicContact CD2-CG2 3.76Å; L311-V345 HydrophobicContact CG-CG2 3.53Å; L311-V345 WeakPolarHBondContact O-CG2 3.43Å; L311-V345 PolarHBondContact O-N 3.08Å; L311-G346 PolarHBondContact N-O 3.06Å; L311-G346 PolarHBondContact O-N 3.26Å
312	G	98.8	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.1	177.4	0	0	0	0	0	112.3	H267 Q343	H267-G312 WeakPolarHBondContact CB-O 3.34Å; H267-G312 PolarHBondContact N-O 3.07Å; H267-G312 PolarHBondContact O-N 3.5Å; G312-Q343 CarbonylContact C-O 3.41Å; G312-Q343 WeakPolarHBondContact CA-O 3.49Å
313	F	98.9	Very high	98.7	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130	-179.2	-64.8	-11	0	0	0	110.4	L119 L128 L254 V264 F266 L311 L315 Q343 V345	L119-F313 HydrophobicContact CD1-CD2 4.36Å; L119-F313 HydrophobicContact CD1-CE2 3.72Å; L119-F313 HydrophobicContact CD1-CZ 4.49Å; L128-F313 HydrophobicContact CD1-CE2 4.18Å; L128-F313 HydrophobicContact CD1-CZ 3.98Å; L128-F313 HydrophobicContact CD2-CZ 4.49Å; L254-F313 HydrophobicContact CD1-CD2 3.89Å; L254-F313 HydrophobicContact CD1-CE2 3.95Å; V264-F313 HydrophobicContact CG2-CB 3.77Å; V264-F313 HydrophobicContact CG2-CD1 3.99Å; V264-F313 HydrophobicContact CG2-CD2 4.15Å; V264-F313 HydrophobicContact CG2-CG 3.71Å; F266-F313 AromaticContact CD1-CD1 3.71Å; F266-F313 HydrophobicContact CD1-CD1 3.71Å; F266-F313 AromaticContact CD1-CE1 3.4Å; F266-F313 HydrophobicContact CD1-CE1 3.4Å; F266-F313 HydrophobicContact CD1-CZ 4.24Å; F266-F313 HydrophobicContact CE1-CD1 4.13Å; F266-F313 AromaticContact CE1-CE1 3.61Å; F266-F313 HydrophobicContact CE1-CE1 3.61Å; F266-F313 AromaticContact CE1-CZ 3.99Å; F266-F313 HydrophobicContact CE1-CZ 3.99Å; L311-F313 HydrophobicContact CD1-CE1 4.03Å; L311-F313 HydrophobicContact CD2-CE1 3.7Å; L311-F313 HydrophobicContact CD2-CZ 3.99Å; L311-F313 HydrophobicContact CG-CD1 4.38Å; L311-F313 HydrophobicContact CG-CE1 3.68Å; L311-F313 HydrophobicContact CG-CZ 4.41Å; F313-L315 HydrophobicContact CB-CD2 3.88Å; F313-L315 HydrophobicContact CB-CG 3.96Å; F313-L315 HydrophobicContact CD2-CD2 4.22Å; F313-L315 HydrophobicContact CG-CD2 4.47Å; F313-Q343 PolarHBondContact N-O 3.05Å; F313-Q343 PolarHBondContact O-N 2.72Å; F313-V345 HydrophobicContact CB-CG1 4.38Å; F313-V345 HydrophobicContact CD1-CG2 4Å; F313-V345 HydrophobicContact CD2-CG1 3.69Å; F313-V345 HydrophobicContact CD2-CG2 4.27Å; F313-V345 HydrophobicContact CE1-CG2 3.73Å; F313-V345 HydrophobicContact CE2-CB 4.43Å; F313-V345 HydrophobicContact CE2-CG1 4.04Å; F313-V345 HydrophobicContact CE2-CG2 4.08Å; F313-V345 HydrophobicContact CG-CG1 3.97Å; F313-V345 HydrophobicContact CG-CG2 4.23Å; F313-V345 HydrophobicContact CZ-CG2 3.79Å
314	Q	98.9	Very high	98.7	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.7	154.7	-70.3	178.5	-61.2	0	0	107.1	V264 R265 H267 I335 V340 V342	V264-Q314 VanDerWaalsContact CA-O 3.26Å; V264-Q314 WeakPolarHBondContact CA-O 3.48Å; R265-Q314 HydrophobicContact CB-CB 4.42Å; R265-Q314 PolarHBondContact N-O 3.26Å; R265-Q314 VanDerWaalsContact N-O 3.08Å; R265-Q314 PolarHBondContact O-N 3Å; H267-Q314 VanDerWaalsContact NE2-CD 3.34Å; H267-Q314 PolarHBondContact NE2-OE1 2.99Å; Q314-I335 PolarHBondContact NE2-O 3.39Å; Q314-V340 HydrophobicContact CB-CG1 3.88Å; Q314-V340 HydrophobicContact CG-CG1 4.3Å; Q314-V340 WeakPolarHBondContact CG-O 3.38Å; Q314-V340 PolarHBondContact NE2-O 3.38Å; Q314-V342 HydrophobicContact CG-CG2 3.84Å
315	L	98.9	Very high	98.8	Very high	28 Å²	28	46.4 Å²	46.4	15%	0.147	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.3	-175.2	-64.2	174.6	0	0	0	109.2	I122 L254 T262 F263 V264 F313	I122-L315 HydrophobicContact CD1-CD1 3.68Å; I122-L315 HydrophobicContact CD1-CD2 4.23Å; L254-L315 HydrophobicContact CD1-CD2 3.67Å; T262-L315 HydrophobicContact CG2-CB 4.1Å; T262-L315 HydrophobicContact CG2-CD2 4.07Å; F263-L315 WeakPolarHBondContact O-CA 3.42Å; V264-L315 HydrophobicContact CB-CD2 4.11Å; V264-L315 HydrophobicContact CG2-CD2 3.92Å; F313-L315 HydrophobicContact CB-CD2 3.88Å; F313-L315 HydrophobicContact CB-CG 3.96Å; F313-L315 HydrophobicContact CD2-CD2 4.22Å; F313-L315 HydrophobicContact CG-CD2 4.47Å
316	I	98.9	Very high	98.8	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.4	178	-63	174	0	0	0	108.2	T262 F263 D320 F324 L328 I335 V340	T262-I316 WeakPolarHBondContact CG2-O 3.41Å; F263-I316 HydrophobicContact CB-CB 4.08Å; F263-I316 WeakPolarHBondContact CB-O 3.22Å; F263-I316 PolarHBondContact N-O 3.26Å; F263-I316 PolarHBondContact O-N 2.96Å; I316-D320 HydrophobicContact CG2-CB 3.66Å; I316-F324 HydrophobicContact CD1-CE1 4.48Å; I316-F324 HydrophobicContact CD1-CE2 3.78Å; I316-F324 HydrophobicContact CD1-CZ 3.63Å; I316-F324 HydrophobicContact CG1-CZ 4.2Å; I316-F324 HydrophobicContact CG2-CE2 3.99Å; I316-F324 HydrophobicContact CG2-CZ 4.34Å; I316-L328 HydrophobicContact CB-CD1 4.46Å; I316-L328 HydrophobicContact CD1-CD1 3.84Å; I316-L328 HydrophobicContact CD1-CD2 3.68Å; I316-L328 HydrophobicContact CD1-CG 4.44Å; I316-L328 HydrophobicContact CG2-CD1 3.96Å; I316-I335 HydrophobicContact CD1-CD1 3.72Å; I316-I335 HydrophobicContact CD1-CG2 4.33Å; I316-V340 HydrophobicContact CD1-CG2 4.1Å; I316-V340 HydrophobicContact CG1-CG1 4.07Å; I316-V340 HydrophobicContact CG1-CG2 4.03Å
317	P	98.7	Very high	98.8	Very high	42 Å²	42	44.1 Å²	44.1	27%	0.273	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	150.9	172.3	-22.2	33.4	0	0	0	111.9	E319 D320	P317-E319 HydrophobicContact CB-CG 4.04Å; P317-E319 WeakPolarHBondContact CB-OE2 3.25Å; P317-E319 PolarHBondContact O-N 3.18Å; P317-D320 WeakPolarHBondContact O-CB 3.37Å; P317-D320 PolarHBondContact O-N 3.43Å
318	E	98.4	Very high	98.8	Very high	69 Å²	69	44 Å²	44	32%	0.322	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-59.1	-37.5	-179.6	-171.5	175.5	-110.5	0	0	111.9	F263 D320 E321 Y460	F263-E318 HydrophobicContact CE2-CG 4.34Å; E318-D320 PolarHBondContact O-N 2.89Å; E318-D320 VanDerWaalsContact O-N 3.09Å; E318-E321 PolarHBondContact O-N 3.23Å; E318-Y460 VanDerWaalsContact CD-OH 3.26Å; E318-Y460 WeakPolarHBondContact OE1-CE1 3.49Å; E318-Y460 PolarHBondContact OE1-OH 2.82Å; E318-Y460 PolarHBondContact OE2-OH 2.72Å; E318-Y460 VanDerWaalsContact OE2-OH 3.1Å
319	E	98.6	Very high	98.8	Very high	128 Å²	128	42.8 Å²	42.8	60%	0.598	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-65.9	-8.6	177.2	63.1	-93	-146.9	0	0	115.2	P317	P317-E319 HydrophobicContact CB-CG 4.04Å; P317-E319 WeakPolarHBondContact CB-OE2 3.25Å; P317-E319 PolarHBondContact O-N 3.18Å
320	D	98.8	Very high	98.8	Very high	40 Å²	40	42.8 Å²	42.8	21%	0.214	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-103	2	-177.4	-72.2	9.1	0	0	0	113	I316 P317 E318 F322 K323 F324	I316-D320 HydrophobicContact CG2-CB 3.66Å; P317-D320 WeakPolarHBondContact O-CB 3.37Å; P317-D320 PolarHBondContact O-N 3.43Å; E318-D320 PolarHBondContact O-N 2.89Å; E318-D320 VanDerWaalsContact O-N 3.09Å; D320-F322 PolarHBondContact O-N 3.11Å; D320-F322 VanDerWaalsContact O-N 3.08Å; D320-K323 HydrophobicContact CB-CD 3.98Å; D320-K323 HydrophobicContact CB-CG 4.48Å; D320-K323 WeakPolarHBondContact O-CB 3.34Å; D320-K323 PolarHBondContact O-N 2.78Å; D320-K323 VanDerWaalsContact O-N 3.08Å; D320-K323 WeakPolarHBondContact OD1-CD 3.19Å; D320-K323 WeakPolarHBondContact OD1-CE 3.44Å; D320-K323 IonicContact OD1-NZ 3.42Å; D320-K323 PolarHBondContact OD1-NZ 2.93Å; D320-K323 IonicContact OD2-NZ 3.83Å; D320-F324 WeakPolarHBondContact O-CE2 3.41Å
321	E	98.8	Very high	98.8	Very high	38 Å²	38	40.6 Å²	40.6	18%	0.178	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-43.2	-175	-171.3	172.5	178.6	0	0	113.9	F263 E318	F263-E321 HydrophobicContact CE2-CB 3.84Å; F263-E321 HydrophobicContact CE2-CG 3.92Å; F263-E321 HydrophobicContact CZ-CB 4.43Å; F263-E321 HydrophobicContact CZ-CG 4.05Å; E318-E321 PolarHBondContact O-N 3.23Å
322	F	98.7	Very high	98.8	Very high	166 Å²	166	40.6 Å²	40.6	73%	0.728	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	18.8	-173.3	-53.8	-72	0	0	0	113.8	D320	D320-F322 PolarHBondContact O-N 3.11Å; D320-F322 VanDerWaalsContact O-N 3.08Å
323	K	98.7	Very high	98.8	Very high	134 Å²	134	40.8 Å²	40.8	58%	0.583	20%	0.196	S	C	*	.	S	Bend	trans	-87.6	-3.1	-179	-67.9	-173.7	-177.2	175	0	114.3	D320	D320-K323 HydrophobicContact CB-CD 3.98Å; D320-K323 HydrophobicContact CB-CG 4.48Å; D320-K323 WeakPolarHBondContact O-CB 3.34Å; D320-K323 PolarHBondContact O-N 2.78Å; D320-K323 VanDerWaalsContact O-N 3.08Å; D320-K323 WeakPolarHBondContact OD1-CD 3.19Å; D320-K323 WeakPolarHBondContact OD1-CE 3.44Å; D320-K323 IonicContact OD1-NZ 3.42Å; D320-K323 PolarHBondContact OD1-NZ 2.93Å; D320-K323 IonicContact OD2-NZ 3.83Å
324	F	98.8	Very high	98.8	Very high	36 Å²	36	40.9 Å²	40.9	16%	0.158	20%	0.197	C	C	.	.	S	Bend	trans	-103.3	156.8	-176.4	-56	-87.9	0	0	0	111.1	I316 D320 F326 L328 L339 V340	I316-F324 HydrophobicContact CD1-CE1 4.48Å; I316-F324 HydrophobicContact CD1-CE2 3.78Å; I316-F324 HydrophobicContact CD1-CZ 3.63Å; I316-F324 HydrophobicContact CG1-CZ 4.2Å; I316-F324 HydrophobicContact CG2-CE2 3.99Å; I316-F324 HydrophobicContact CG2-CZ 4.34Å; D320-F324 WeakPolarHBondContact O-CE2 3.41Å; F324-F326 HydrophobicContact CB-CD1 4.13Å; F324-F326 HydrophobicContact CB-CD2 4.29Å; F324-F326 HydrophobicContact CB-CE1 3.91Å; F324-F326 HydrophobicContact CB-CE2 4.07Å; F324-F326 HydrophobicContact CB-CG 4.32Å; F324-F326 HydrophobicContact CB-CZ 3.88Å; F324-F326 HydrophobicContact CD1-CE1 4.18Å; F324-F326 HydrophobicContact CD1-CE2 4.43Å; F324-F326 AromaticContact CD1-CZ 3.76Å; F324-F326 HydrophobicContact CD1-CZ 3.76Å; F324-F326 HydrophobicContact CG-CE1 4.42Å; F324-F326 HydrophobicContact CG-CE2 4.29Å; F324-F326 HydrophobicContact CG-CZ 4.01Å; F324-F326 PolarHBondContact O-N 3.16Å; F324-L328 HydrophobicContact CD2-CD1 4.35Å; F324-L328 HydrophobicContact CD2-CD2 3.7Å; F324-L328 HydrophobicContact CD2-CG 4.13Å; F324-L328 HydrophobicContact CE2-CD1 4.22Å; F324-L328 HydrophobicContact CE2-CD2 3.96Å; F324-L328 HydrophobicContact CE2-CG 4.44Å; F324-L328 HydrophobicContact CG-CD2 4.21Å; F324-L339 HydrophobicContact CD1-CD1 4.3Å; F324-V340 HydrophobicContact CE1-CG2 3.86Å; F324-V340 HydrophobicContact CZ-CG2 3.91Å
325	D	98.6	Very high	98.8	Very high	107 Å²	107	41.1 Å²	41.1	57%	0.572	20%	0.198	S	C	*	.	S	Bend	trans	-73.8	-5.5	176.8	-69.3	-4.5	0	0	0	112.4	N555	D325-N555 VanDerWaalsContact CG-ND2 3.31Å; D325-N555 PolarHBondContact N-ND2 3.1Å; D325-N555 PolarHBondContact N-OD1 3.27Å; D325-N555 PolarHBondContact OD1-ND2 3.1Å; D325-N555 WeakPolarHBondContact OD2-CA 3.38Å; D325-N555 PolarHBondContact OD2-N 3.08Å
326	F	98.9	Very high	98.8	Very high	11 Å²	11	39.8 Å²	39.8	5%	0.048	19%	0.191	C	C	.	.	S	Bend	trans	-130.2	157.3	-178.7	55.1	-90.6	0	0	0	109.9	F324 L328 K333 I335 L339 H482 V554	F324-F326 HydrophobicContact CB-CD1 4.13Å; F324-F326 HydrophobicContact CB-CD2 4.29Å; F324-F326 HydrophobicContact CB-CE1 3.91Å; F324-F326 HydrophobicContact CB-CE2 4.07Å; F324-F326 HydrophobicContact CB-CG 4.32Å; F324-F326 HydrophobicContact CB-CZ 3.88Å; F324-F326 HydrophobicContact CD1-CE1 4.18Å; F324-F326 HydrophobicContact CD1-CE2 4.43Å; F324-F326 AromaticContact CD1-CZ 3.76Å; F324-F326 HydrophobicContact CD1-CZ 3.76Å; F324-F326 HydrophobicContact CG-CE1 4.42Å; F324-F326 HydrophobicContact CG-CE2 4.29Å; F324-F326 HydrophobicContact CG-CZ 4.01Å; F324-F326 PolarHBondContact O-N 3.16Å; F326-L328 HydrophobicContact CE2-CD2 3.98Å; F326-K333 HydrophobicContact CB-CB 4.11Å; F326-K333 HydrophobicContact CB-CD 3.98Å; F326-K333 HydrophobicContact CB-CG 3.9Å; F326-K333 HydrophobicContact CD2-CB 3.98Å; F326-K333 HydrophobicContact CG-CB 4.25Å; F326-I335 HydrophobicContact CE2-CG1 4.11Å; F326-L339 HydrophobicContact CE1-CD1 4.37Å; F326-H482 AromaticContact CD1-CE1 3.82Å; F326-H482 AromaticContact CD1-NE2 3.45Å; F326-H482 WeakPolarHBondContact CD1-NE2 3.32Å; F326-H482 AromaticContact CG-NE2 3.64Å; F326-V554 HydrophobicContact CD1-CG1 3.66Å; F326-V554 HydrophobicContact CE1-CG1 3.64Å
327	D	98.8	Very high	98.8	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.118	20%	0.2	C	C	.	.			trans	-78.2	129.8	176.3	-159.2	-52.8	0	0	0	110.8	L329 D330 S475 F476	D327-L329 PolarHBondContact O-N 3.1Å; D327-L329 VanDerWaalsContact OD1-CB 3.24Å; D327-L329 WeakPolarHBondContact OD1-CB 3.46Å; D327-L329 WeakPolarHBondContact OD1-CG 3.5Å; D327-L329 PolarHBondContact OD1-N 3.42Å; D327-D330 HydrophobicContact CB-CB 4.1Å; D327-D330 PolarHBondContact O-N 3.44Å; D327-D330 VanDerWaalsContact O-N 3.14Å; D327-S475 WeakPolarHBondContact OD2-CB 3.36Å; D327-S475 PolarHBondContact OD2-OG 3.22Å; D327-F476 HydrophobicContact CB-CD1 3.86Å; D327-F476 HydrophobicContact CB-CE1 3.72Å; D327-F476 VanDerWaalsContact CG-CE1 3.45Å; D327-F476 WeakPolarHBondContact OD2-CE1 3.5Å
328	L	98.8	Very high	98.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.9	176.5	-64.7	-174.3	0	0	0	112.3	T251 F263 R265 I316 F324 F326 D330 I335	T251-L328 WeakPolarHBondContact CB-O 3.3Å; T251-L328 PolarHBondContact OG1-O 3.14Å; F263-L328 HydrophobicContact CD2-CD1 4.33Å; R265-L328 PolarHBondContact NH2-O 3.41Å; R265-L328 VanDerWaalsContact NH2-O 3.11Å; I316-L328 HydrophobicContact CB-CD1 4.46Å; I316-L328 HydrophobicContact CD1-CD1 3.84Å; I316-L328 HydrophobicContact CD1-CD2 3.68Å; I316-L328 HydrophobicContact CD1-CG 4.44Å; I316-L328 HydrophobicContact CG2-CD1 3.96Å; F324-L328 HydrophobicContact CD2-CD1 4.35Å; F324-L328 HydrophobicContact CD2-CD2 3.7Å; F324-L328 HydrophobicContact CD2-CG 4.13Å; F324-L328 HydrophobicContact CE2-CD1 4.22Å; F324-L328 HydrophobicContact CE2-CD2 3.96Å; F324-L328 HydrophobicContact CE2-CG 4.44Å; F324-L328 HydrophobicContact CG-CD2 4.21Å; F326-L328 HydrophobicContact CE2-CD2 3.98Å; L328-D330 VanDerWaalsContact C-N 3.34Å; L328-I335 HydrophobicContact CD2-CD1 4.09Å; L328-I335 HydrophobicContact CD2-CG1 4.29Å
329	L	98.9	Very high	98.8	Very high	21 Å²	21	45.3 Å²	45.3	11%	0.11	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.5	-179.3	-51	-175.2	0	0	0	113	D327 P331 T378 N379 D380 F476	D327-L329 PolarHBondContact O-N 3.1Å; D327-L329 VanDerWaalsContact OD1-CB 3.24Å; D327-L329 WeakPolarHBondContact OD1-CB 3.46Å; D327-L329 WeakPolarHBondContact OD1-CG 3.5Å; D327-L329 PolarHBondContact OD1-N 3.42Å; L329-P331 VanDerWaalsContact O-CD 3.26Å; L329-P331 WeakPolarHBondContact O-CD 3.43Å; L329-T378 HydrophobicContact CD2-CG2 4.2Å; L329-N379 HydrophobicContact CD1-CB 4.03Å; L329-D380 WeakPolarHBondContact O-CA 3.21Å; L329-D380 WeakPolarHBondContact O-CB 3.35Å; L329-F476 HydrophobicContact CB-CE1 4.43Å; L329-F476 HydrophobicContact CB-CZ 4.11Å; L329-F476 WeakPolarHBondContact O-CZ 3.39Å
330	D	98.9	Very high	98.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.			trans	-82.4	111.4	175.6	-175.2	-12.8	0	0	0	110.2	Q184 R265 D327 L328 T332 K333 F476	Q184-D330 WeakPolarHBondContact CG-OD1 3.4Å; Q184-D330 PolarHBondContact NE2-OD2 3.37Å; R265-D330 PolarHBondContact NH2-O 3.02Å; D327-D330 HydrophobicContact CB-CB 4.1Å; D327-D330 PolarHBondContact O-N 3.44Å; D327-D330 VanDerWaalsContact O-N 3.14Å; L328-D330 VanDerWaalsContact C-N 3.34Å; D330-T332 PolarHBondContact O-N 3.17Å; D330-T332 WeakPolarHBondContact OD1-CA 3.48Å; D330-T332 VanDerWaalsContact OD1-CB 3.32Å; D330-T332 WeakPolarHBondContact OD1-CB 3.22Å; D330-T332 PolarHBondContact OD1-N 3.3Å; D330-T332 PolarHBondContact OD1-OG1 3.28Å; D330-T332 PolarHBondContact OD2-OG1 2.85Å; D330-T332 VanDerWaalsContact OD2-OG1 3.05Å; D330-K333 HydrophobicContact CB-CB 4.27Å; D330-K333 HydrophobicContact CB-CG 3.68Å; D330-K333 PolarHBondContact O-N 3.45Å; D330-K333 VanDerWaalsContact O-N 3.07Å; D330-K333 WeakPolarHBondContact OD2-CG 3.4Å; D330-K333 IonicContact OD2-NZ 3.19Å; D330-K333 PolarHBondContact OD2-NZ 2.77Å; D330-F476 HydrophobicContact CB-CD1 4.02Å; D330-F476 HydrophobicContact CB-CD2 3.9Å; D330-F476 HydrophobicContact CB-CE1 4Å; D330-F476 HydrophobicContact CB-CE2 3.86Å; D330-F476 HydrophobicContact CB-CG 4Å; D330-F476 HydrophobicContact CB-CZ 3.92Å
331	P	98.8	Very high	98.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.4	-179.8	32.4	-39	0	0	0	113	I180 F181 I183 I249 L329 K333 L382	I180-P331 CarbonylContact C-O 3.56Å; I180-P331 VanDerWaalsContact CA-O 3.23Å; I180-P331 WeakPolarHBondContact CA-O 3.43Å; I180-P331 VanDerWaalsContact CB-O 3.3Å; I180-P331 WeakPolarHBondContact CB-O 3.49Å; F181-P331 HydrophobicContact CB-CB 4.49Å; F181-P331 PolarHBondContact N-O 3.16Å; I183-P331 WeakPolarHBondContact O-CG 3.16Å; I249-P331 HydrophobicContact CG2-CB 4Å; L329-P331 VanDerWaalsContact O-CD 3.26Å; L329-P331 WeakPolarHBondContact O-CD 3.43Å; P331-K333 VanDerWaalsContact C-N 3.31Å; P331-L382 HydrophobicContact CB-CB 4.34Å; P331-L382 HydrophobicContact CB-CD2 3.97Å; P331-L382 HydrophobicContact CG-CB 3.76Å; P331-L382 HydrophobicContact CG-CD2 3.93Å
332	T	98.9	Very high	98.8	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-5.8	172.9	70.5	0	0	0	0	112.5	Q184 E223 H226 D330	Q184-T332 HydrophobicContact CG-CG2 3.46Å; Q184-T332 VanDerWaalsContact CG-CG2 3.46Å; Q184-T332 PolarHBondContact NE2-OG1 3.23Å; E223-T332 HydrophobicContact CB-CG2 4.49Å; H226-T332 PolarHBondContact ND1-O 3.46Å; D330-T332 PolarHBondContact O-N 3.17Å; D330-T332 WeakPolarHBondContact OD1-CA 3.48Å; D330-T332 VanDerWaalsContact OD1-CB 3.32Å; D330-T332 WeakPolarHBondContact OD1-CB 3.22Å; D330-T332 PolarHBondContact OD1-N 3.3Å; D330-T332 PolarHBondContact OD1-OG1 3.28Å; D330-T332 PolarHBondContact OD2-OG1 2.85Å; D330-T332 VanDerWaalsContact OD2-OG1 3.05Å
333	K	98.9	Very high	98.8	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.017	19%	0.189	C	C	.	.			trans	-106.7	134.5	179.5	-55.6	-67.6	-179.9	-58.7	0	109	I180 R265 F326 D330 P331 E478 H482	I180-K333 WeakPolarHBondContact CG2-O 3.31Å; R265-K333 VanDerWaalsContact CZ-O 3.29Å; R265-K333 PolarHBondContact NH1-O 3.49Å; R265-K333 PolarHBondContact NH2-O 3.21Å; F326-K333 HydrophobicContact CB-CB 4.11Å; F326-K333 HydrophobicContact CB-CD 3.98Å; F326-K333 HydrophobicContact CB-CG 3.9Å; F326-K333 HydrophobicContact CD2-CB 3.98Å; F326-K333 HydrophobicContact CG-CB 4.25Å; D330-K333 HydrophobicContact CB-CB 4.27Å; D330-K333 HydrophobicContact CB-CG 3.68Å; D330-K333 PolarHBondContact O-N 3.45Å; D330-K333 VanDerWaalsContact O-N 3.07Å; D330-K333 WeakPolarHBondContact OD2-CG 3.4Å; D330-K333 IonicContact OD2-NZ 3.19Å; D330-K333 PolarHBondContact OD2-NZ 2.77Å; P331-K333 VanDerWaalsContact C-N 3.31Å; K333-E478 VanDerWaalsContact CE-O 3.25Å; K333-E478 WeakPolarHBondContact CE-O 3.46Å; K333-E478 PolarHBondContact NZ-O 3.09Å; K333-H482 WeakPolarHBondContact CD-CD2 3.31Å
334	L	98.9	Very high	98.8	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	18%	0.179	C	C	.	.			trans	-93.4	160.1	169.1	61.5	79.9	0	0	0	109.3	P179 I180 W230 P336 H482 L485 L563	P179-L334 HydrophobicContact CB-CB 4.05Å; P179-L334 HydrophobicContact CG-CB 4.02Å; P179-L334 HydrophobicContact CG-CD2 3.93Å; I180-L334 HydrophobicContact CG2-CB 3.84Å; W230-L334 HydrophobicContact CZ2-CD2 3.72Å; L334-P336 HydrophobicContact CD1-CB 4.29Å; L334-P336 HydrophobicContact CD1-CG 3.78Å; L334-P336 WeakPolarHBondContact O-CD 3.47Å; L334-H482 PolarHBondContact O-CE1 3.37Å; L334-L485 HydrophobicContact CD1-CD2 4.39Å; L334-L563 HydrophobicContact CD1-CD2 4.26Å; L334-L563 HydrophobicContact CD2-CD1 4.19Å; L334-L563 HydrophobicContact CD2-CD2 3.73Å
335	I	98.9	Very high	98.8	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.041	17%	0.174	C	C	.	.			trans	-99.1	111.2	168.4	-52.8	172.1	0	0	0	106.3	R265 Q314 I316 F326 L328 E337 V340	R265-I335 HydrophobicContact CB-CD1 4.45Å; R265-I335 VanDerWaalsContact CD-CD1 3.48Å; R265-I335 HydrophobicContact CG-CD1 3.74Å; Q314-I335 PolarHBondContact NE2-O 3.39Å; I316-I335 HydrophobicContact CD1-CD1 3.72Å; I316-I335 HydrophobicContact CD1-CG2 4.33Å; F326-I335 HydrophobicContact CE2-CG1 4.11Å; L328-I335 HydrophobicContact CD2-CD1 4.09Å; L328-I335 HydrophobicContact CD2-CG1 4.29Å; I335-E337 PolarHBondContact O-N 3Å; I335-V340 HydrophobicContact CG2-CB 3.73Å; I335-V340 HydrophobicContact CG2-CG2 3.71Å
336	P	98.9	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.			trans	-57.1	139.3	179.3	-22.6	32.5	0	0	0	111.3	L334 E338 L339 V340 L485 V554 L557 D560	L334-P336 HydrophobicContact CD1-CB 4.29Å; L334-P336 HydrophobicContact CD1-CG 3.78Å; L334-P336 WeakPolarHBondContact O-CD 3.47Å; P336-E338 PolarHBondContact O-N 2.9Å; P336-L339 HydrophobicContact CB-CD1 4.35Å; P336-L339 HydrophobicContact CB-CG 4.12Å; P336-L339 HydrophobicContact CG-CD1 3.96Å; P336-L339 HydrophobicContact CG-CG 4.28Å; P336-L339 PolarHBondContact O-N 3.32Å; P336-L339 VanDerWaalsContact O-N 3.11Å; P336-V340 PolarHBondContact O-N 2.86Å; P336-L485 HydrophobicContact CG-CD2 3.94Å; P336-V554 HydrophobicContact CG-CG1 4.36Å; P336-L557 HydrophobicContact CB-CD1 3.67Å; P336-L557 HydrophobicContact CG-CD1 4.1Å; P336-D560 WeakPolarHBondContact CA-OD2 3.39Å; P336-D560 HydrophobicContact CB-CB 4.49Å; P336-D560 WeakPolarHBondContact CB-OD2 3.27Å
337	E	98.7	Very high	98.8	Very high	44 Å²	44	32.5 Å²	32.5	21%	0.206	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.8	-179.3	-65.9	-171.1	-130.7	0	0	111.5	K269 I335 L339 V340 P341 V342 D560 S562	K269-E337 IonicContact NZ-OE1 2.75Å; K269-E337 PolarHBondContact NZ-OE1 3.5Å; K269-E337 IonicContact NZ-OE2 3.5Å; I335-E337 PolarHBondContact O-N 3Å; E337-L339 VanDerWaalsContact C-N 3.26Å; E337-L339 PolarHBondContact O-N 2.99Å; E337-V340 CarbonylContact O-C 3.59Å; E337-P341 WeakPolarHBondContact O-CA 3.15Å; E337-V342 HydrophobicContact CG-CG2 3.89Å; E337-V342 WeakPolarHBondContact OE2-CG2 3.3Å; E337-D560 PolarHBondContact N-OD2 2.96Å; E337-S562 WeakPolarHBondContact OE1-CB 3.45Å; E337-S562 PolarHBondContact OE1-OG 2.78Å
338	E	98.5	Very high	98.8	Very high	130 Å²	130	31.4 Å²	31.4	61%	0.607	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26	170.7	-74.9	-73.4	126.9	0	0	113.1	P336 L557 D560	P336-E338 PolarHBondContact O-N 2.9Å; E338-L557 HydrophobicContact CB-CD1 3.85Å; E338-L557 HydrophobicContact CB-CD2 4.19Å; E338-D560 HydrophobicContact CG-CB 4.31Å; E338-D560 PolarHBondContact N-OD2 2.75Å; E338-D560 VanDerWaalsContact N-OD2 3.11Å
339	L	98.6	Very high	98.8	Very high	56 Å²	56	31.7 Å²	31.7	29%	0.293	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-47.1	175.3	-59.9	-177.1	0	0	0	111.6	F324 F326 P336 E337 N555 L557	F324-L339 HydrophobicContact CD1-CD1 4.3Å; F326-L339 HydrophobicContact CE1-CD1 4.37Å; P336-L339 HydrophobicContact CB-CD1 4.35Å; P336-L339 HydrophobicContact CB-CG 4.12Å; P336-L339 HydrophobicContact CG-CD1 3.96Å; P336-L339 HydrophobicContact CG-CG 4.28Å; P336-L339 PolarHBondContact O-N 3.32Å; P336-L339 VanDerWaalsContact O-N 3.11Å; E337-L339 VanDerWaalsContact C-N 3.26Å; E337-L339 PolarHBondContact O-N 2.99Å; L339-N555 HydrophobicContact CD1-CB 3.74Å; L339-N555 HydrophobicContact CD2-CB 4.19Å; L339-L557 HydrophobicContact CD1-CD1 4.23Å; L339-L557 HydrophobicContact CD2-CD1 3.71Å; L339-L557 HydrophobicContact CD2-CG 4.06Å; L339-L557 HydrophobicContact CG-CD1 3.62Å; L339-L557 HydrophobicContact CG-CG 4.46Å
340	V	98.8	Very high	98.8	Very high	14 Å²	14	30.7 Å²	30.7	9%	0.085	15%	0.15	C	C	.	.	S	Bend	trans	-132.2	104.7	-178.6	-174.5	0	0	0	0	108.6	Q314 I316 F324 I335 P336 E337	Q314-V340 HydrophobicContact CB-CG1 3.88Å; Q314-V340 HydrophobicContact CG-CG1 4.3Å; Q314-V340 WeakPolarHBondContact CG-O 3.38Å; Q314-V340 PolarHBondContact NE2-O 3.38Å; I316-V340 HydrophobicContact CD1-CG2 4.1Å; I316-V340 HydrophobicContact CG1-CG1 4.07Å; I316-V340 HydrophobicContact CG1-CG2 4.03Å; F324-V340 HydrophobicContact CE1-CG2 3.86Å; F324-V340 HydrophobicContact CZ-CG2 3.91Å; I335-V340 HydrophobicContact CG2-CB 3.73Å; I335-V340 HydrophobicContact CG2-CG2 3.71Å; P336-V340 PolarHBondContact O-N 2.86Å; E337-V340 CarbonylContact O-C 3.59Å
341	P	98.7	Very high	98.8	Very high	81 Å²	81	31.6 Å²	31.6	53%	0.526	15%	0.154	S	C	.	.			trans	-69.2	148.7	-174.9	28.2	-35.4	0	0	0	111.7	E337 Q343	E337-P341 WeakPolarHBondContact O-CA 3.15Å; P341-Q343 PolarHBondContact O-N 3.02Å
342	V	98.8	Very high	98.8	Very high	17 Å²	17	32 Å²	32	10%	0.103	16%	0.156	C	C	.	.			trans	-77.7	108	172.6	-179.8	0	0	0	0	109.6	H267 Q314 E337	H267-V342 HydrophobicContact CB-CG1 3.88Å; H267-V342 HydrophobicContact CB-CG2 4.47Å; Q314-V342 HydrophobicContact CG-CG2 3.84Å; E337-V342 HydrophobicContact CG-CG2 3.89Å; E337-V342 WeakPolarHBondContact OE2-CG2 3.3Å
343	Q	98.8	Very high	98.8	Very high	100 Å²	100	32 Å²	32	47%	0.467	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.7	175	-61.5	-176.4	51.1	0	0	110.3	G312 F313 P341	G312-Q343 CarbonylContact C-O 3.41Å; G312-Q343 WeakPolarHBondContact CA-O 3.49Å; F313-Q343 PolarHBondContact N-O 3.05Å; F313-Q343 PolarHBondContact O-N 2.72Å; P341-Q343 PolarHBondContact O-N 3.02Å
344	R	98.7	Very high	98.8	Very high	101 Å²	101	31.9 Å²	31.9	38%	0.381	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	127.9	176.7	-62.3	-62.5	-167.8	-103.3	-7.9	110.9	Y116 K269 E310	Y116-R344 HydrophobicContact CD2-CB 4.38Å; Y116-R344 HydrophobicContact CE2-CB 4.09Å; K269-R344 VanDerWaalsContact CG-CZ 3.45Å; E310-R344 VanDerWaalsContact CD-CD 3.5Å; E310-R344 WeakPolarHBondContact OE1-CD 3.45Å; E310-R344 IonicContact OE1-NE 3.82Å; E310-R344 WeakPolarHBondContact OE2-CD 3.48Å; E310-R344 IonicContact OE2-CZ 3.24Å; E310-R344 IonicContact OE2-NE 2.77Å; E310-R344 PolarHBondContact OE2-NE 2.58Å
345	V	98.6	Very high	98.8	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-23.3	-174	-65.4	0	0	0	0	115	P115 Y116 L119 L311 F313	P115-V345 CarbonylContact C-O 3.5Å; P115-V345 WeakPolarHBondContact CA-O 3.18Å; Y116-V345 PolarHBondContact N-O 2.81Å; L119-V345 HydrophobicContact CD1-CB 3.86Å; L119-V345 HydrophobicContact CD1-CG1 3.83Å; L119-V345 HydrophobicContact CD2-CG1 4.29Å; L311-V345 HydrophobicContact CB-CG2 3.77Å; L311-V345 HydrophobicContact CD2-CG2 3.76Å; L311-V345 HydrophobicContact CG-CG2 3.53Å; L311-V345 WeakPolarHBondContact O-CG2 3.43Å; L311-V345 PolarHBondContact O-N 3.08Å; F313-V345 HydrophobicContact CB-CG1 4.38Å; F313-V345 HydrophobicContact CD1-CG2 4Å; F313-V345 HydrophobicContact CD2-CG1 3.69Å; F313-V345 HydrophobicContact CD2-CG2 4.27Å; F313-V345 HydrophobicContact CE1-CG2 3.73Å; F313-V345 HydrophobicContact CE2-CB 4.43Å; F313-V345 HydrophobicContact CE2-CG1 4.04Å; F313-V345 HydrophobicContact CE2-CG2 4.08Å; F313-V345 HydrophobicContact CG-CG1 3.97Å; F313-V345 HydrophobicContact CG-CG2 4.23Å; F313-V345 HydrophobicContact CZ-CG2 3.79Å
346	G	98.8	Very high	98.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	177.5	178.7	0	0	0	0	0	112.4	Q114 E310 L311	Q114-G346 CarbonylContact O-C 3.42Å; Q114-G346 WeakPolarHBondContact O-CA 3.19Å; E310-G346 CarbonylContact C-O 3.51Å; E310-G346 WeakPolarHBondContact CA-O 3.45Å; L311-G346 PolarHBondContact N-O 3.06Å; L311-G346 PolarHBondContact O-N 3.26Å
347	K	98.9	Very high	98.8	Very high	71 Å²	71	40.2 Å²	40.2	31%	0.309	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.4	-179.4	-165.3	167.5	65.6	159.8	0	111.5	F113 Q114 Y116 E308 V349	F113-K347 WeakPolarHBondContact CA-O 3.32Å; F113-K347 WeakPolarHBondContact CD2-O 3.2Å; Q114-K347 PolarHBondContact N-O 3.07Å; Q114-K347 PolarHBondContact O-N 3.19Å; Y116-K347 HydrophobicContact CE1-CB 4Å; E308-K347 WeakPolarHBondContact OE2-CD 3.34Å; E308-K347 WeakPolarHBondContact OE2-CE 3.36Å; E308-K347 IonicContact OE2-NZ 2.83Å; E308-K347 PolarHBondContact OE2-NZ 3.13Å; K347-V349 HydrophobicContact CG-CG2 4.42Å
348	M	98.9	Very high	98.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.3	168.9	-179.7	172.5	66.3	0	0	109.8	Y112 F113 V137 V139 F160 T162 W268 E308 Y309 L350	Y112-M348 CarbonylContact O-C 3.26Å; Y112-M348 VanDerWaalsContact O-CA 3.3Å; Y112-M348 WeakPolarHBondContact O-CA 3.34Å; F113-M348 HydrophobicContact CD2-CB 4.35Å; V137-M348 HydrophobicContact CB-SD 4.48Å; V137-M348 HydrophobicContact CG2-CG 3.9Å; V137-M348 HydrophobicContact CG2-SD 3.87Å; V139-M348 HydrophobicContact CG2-CE 3.91Å; V139-M348 HydrophobicContact CG2-SD 3.55Å; V139-M348 VanDerWaalsContact CG2-SD 3.55Å; F160-M348 HydrophobicContact CE1-CE 3.76Å; F160-M348 HydrophobicContact CZ-CE 3.69Å; T162-M348 HydrophobicContact CG2-SD 3.68Å; W268-M348 HydrophobicContact CD2-CE 4.26Å; W268-M348 HydrophobicContact CE3-CE 4.19Å; W268-M348 HydrophobicContact CH2-CB 3.84Å; W268-M348 HydrophobicContact CH2-CE 3.97Å; W268-M348 HydrophobicContact CH2-SD 3.91Å; W268-M348 HydrophobicContact CZ2-CE 4.05Å; W268-M348 HydrophobicContact CZ2-SD 4.15Å; W268-M348 HydrophobicContact CZ3-CB 3.64Å; W268-M348 HydrophobicContact CZ3-CE 4.03Å; W268-M348 HydrophobicContact CZ3-SD 4.4Å; E308-M348 WeakPolarHBondContact CA-O 3.45Å; Y309-M348 HydrophobicContact CD2-CE 3.63Å; Y309-M348 HydrophobicContact CE2-CE 4.35Å; Y309-M348 HydrophobicContact CG-CE 4.12Å; Y309-M348 PolarHBondContact N-O 2.78Å; Y309-M348 PolarHBondContact O-N 2.86Å; M348-L350 HydrophobicContact CG-CD2 4.14Å; M348-L350 HydrophobicContact SD-CD2 4.21Å
349	V	98.9	Very high	98.8	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.8	176.2	-174.4	0	0	0	0	109	G111 Y112 F306 P307 E308 K347 N351	G111-V349 CarbonylContact C-O 3.45Å; G111-V349 WeakPolarHBondContact CA-O 3.42Å; Y112-V349 HydrophobicContact CD1-CB 4.3Å; Y112-V349 HydrophobicContact CE1-CB 3.7Å; Y112-V349 HydrophobicContact CE1-CG1 4.17Å; Y112-V349 HydrophobicContact CE1-CG2 4.24Å; Y112-V349 HydrophobicContact CE2-CB 4.47Å; Y112-V349 HydrophobicContact CE2-CG2 4.24Å; Y112-V349 PolarHBondContact N-O 2.8Å; Y112-V349 PolarHBondContact O-N 3.13Å; F306-V349 HydrophobicContact CB-CG1 3.66Å; F306-V349 HydrophobicContact CD2-CG1 4.17Å; F306-V349 HydrophobicContact CG-CG1 4.19Å; P307-V349 WeakPolarHBondContact O-CA 3.27Å; E308-V349 HydrophobicContact CG-CB 4.47Å; E308-V349 HydrophobicContact CG-CG1 4.13Å; E308-V349 HydrophobicContact CG-CG2 4.05Å; K347-V349 HydrophobicContact CG-CG2 4.42Å; V349-N351 HydrophobicContact CG1-CB 4.43Å
350	L	98.9	Very high	98.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.1	175.2	-52	-176.3	0	0	0	109.3	A109 H110 V137 V139 F141 F306 P307 Y309 M348	A109-L350 HydrophobicContact CB-CB 4.24Å; A109-L350 HydrophobicContact CB-CD1 4.34Å; H110-L350 CarbonylContact O-C 3.5Å; H110-L350 WeakPolarHBondContact O-CA 3.49Å; V137-L350 HydrophobicContact CG2-CD2 4.12Å; V139-L350 HydrophobicContact CB-CD1 3.96Å; V139-L350 HydrophobicContact CB-CD2 4.02Å; V139-L350 HydrophobicContact CG1-CD1 4.21Å; V139-L350 HydrophobicContact CG2-CD1 4.27Å; V139-L350 HydrophobicContact CG2-CD2 3.62Å; F141-L350 HydrophobicContact CE2-CD1 3.73Å; F141-L350 HydrophobicContact CZ-CD1 3.85Å; F306-L350 VanDerWaalsContact CB-O 3.27Å; F306-L350 WeakPolarHBondContact CB-O 3.33Å; P307-L350 HydrophobicContact CB-CB 4.04Å; P307-L350 HydrophobicContact CB-CD1 4.04Å; P307-L350 HydrophobicContact CB-CG 4.18Å; P307-L350 VanDerWaalsContact CD-O 3.32Å; P307-L350 WeakPolarHBondContact CD-O 3.41Å; P307-L350 HydrophobicContact CG-CB 4.1Å; P307-L350 HydrophobicContact CG-CD1 4.4Å; P307-L350 PolarHBondContact O-N 3.03Å; Y309-L350 HydrophobicContact CE2-CD1 4.21Å; M348-L350 HydrophobicContact CG-CD2 4.14Å; M348-L350 HydrophobicContact SD-CD2 4.21Å
351	N	98.8	Very high	98.8	Very high	19 Å²	19	34.6 Å²	34.6	10%	0.102	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	4.3	-166	65	-8.3	0	0	0	114.7	T35 H110 F306 V349	T35-N351 HydrophobicContact CG2-CB 4.1Å; T35-N351 VanDerWaalsContact CG2-CG 3.4Å; T35-N351 WeakPolarHBondContact CG2-ND2 3.39Å; H110-N351 PolarHBondContact O-N 3.11Å; F306-N351 HydrophobicContact CD1-CB 3.75Å; F306-N351 HydrophobicContact CD2-CB 4.09Å; F306-N351 HydrophobicContact CE1-CB 3.8Å; F306-N351 HydrophobicContact CE2-CB 4.14Å; F306-N351 HydrophobicContact CG-CB 3.9Å; F306-N351 HydrophobicContact CZ-CB 3.99Å; V349-N351 HydrophobicContact CG1-CB 4.43Å
352	R	98.8	Very high	98.8	Very high	8 Å²	8	31.7 Å²	31.7	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	131.4	174.5	-170.9	164.5	156.5	174.7	0.4	112.6	G28 S29 T35 L40 H110 D355	G28-R352 PolarHBondContact O-NE 3.03Å; S29-R352 VanDerWaalsContact CB-NH2 3.29Å; T35-R352 HydrophobicContact CG2-CB 4.04Å; T35-R352 VanDerWaalsContact O-CD 3.26Å; T35-R352 WeakPolarHBondContact O-CD 3.46Å; T35-R352 PolarHBondContact O-NH1 3Å; L40-R352 HydrophobicContact CD1-CB 4.35Å; H110-R352 HydrophobicContact CB-CB 4.37Å; H110-R352 WeakPolarHBondContact CB-O 3.33Å; H110-R352 PolarHBondContact N-O 2.65Å; H110-R352 PolarHBondContact O-N 2.97Å; R352-D355 IonicContact NH2-OD2 2.8Å
353	N	98.8	Very high	98.8	Very high	4 Å²	4	33 Å²	33	2%	0.021	16%	0.158	C	C	.	.			trans	-70.4	155.5	172.4	-68.6	-41.1	0	0	0	111.1	G28 W298 I301	G28-N353 WeakPolarHBondContact CA-O 3.09Å; W298-N353 HydrophobicContact CD2-CB 3.84Å; W298-N353 VanDerWaalsContact CD2-CG 3.44Å; W298-N353 HydrophobicContact CE3-CB 4.01Å; W298-N353 HydrophobicContact CH2-CB 3.84Å; W298-N353 HydrophobicContact CZ2-CB 3.64Å; W298-N353 HydrophobicContact CZ3-CB 4.02Å; W298-N353 PolarHBondContact NE1-ND2 3Å; W298-N353 PolarHBondContact O-ND2 3.02Å; I301-N353 VanDerWaalsContact CD1-OD1 3.32Å; I301-N353 WeakPolarHBondContact CD1-OD1 3.38Å
354	P	98.8	Very high	98.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	14%	0.136	C	C	.	.			trans	-63.2	160	170.2	28.1	-34.4	0	0	0	111.4	G28 A108 W298 E360	G28-P354 PolarHBondContact N-O 3.26Å; A108-P354 WeakPolarHBondContact O-CD 3.35Å; W298-P354 HydrophobicContact CH2-CG 4.06Å; W298-P354 WeakPolarHBondContact CH2-O 3.48Å; W298-P354 HydrophobicContact CZ3-CG 3.71Å; P354-E360 HydrophobicContact CB-CB 3.95Å; P354-E360 HydrophobicContact CB-CG 4.43Å; P354-E360 WeakPolarHBondContact CB-OE2 3.36Å
355	D	98.7	Very high	98.8	Very high	35 Å²	35	23.6 Å²	23.6	19%	0.187	12%	0.119	C	C	.	.	S	Bend	trans	-84.6	-39.2	172.3	-70.7	-47.6	0	0	0	111.5	P27 G28 S29 R47 R352 E360	P27-D355 HydrophobicContact CB-CB 4.43Å; G28-D355 PolarHBondContact N-OD1 2.83Å; S29-D355 WeakPolarHBondContact CA-OD1 3.26Å; S29-D355 WeakPolarHBondContact CB-OD1 3.5Å; S29-D355 PolarHBondContact N-OD1 2.8Å; S29-D355 VanDerWaalsContact OG-CG 3.29Å; S29-D355 PolarHBondContact OG-OD1 2.77Å; R47-D355 IonicContact CZ-OD2 3.9Å; R47-D355 IonicContact NE-OD2 2.83Å; R47-D355 PolarHBondContact NE-OD2 3.27Å; R47-D355 IonicContact NH2-OD2 2.65Å; R47-D355 PolarHBondContact NH2-OD2 3.44Å; R352-D355 IonicContact NH2-OD2 2.8Å; D355-E360 WeakPolarHBondContact CA-OE2 3.15Å; D355-E360 PolarHBondContact N-OE2 2.89Å
356	N	98.8	Very high	98.8	Very high	84 Å²	84	23.9 Å²	23.9	45%	0.449	12%	0.12	S	C	.	.			trans	-134.2	118.9	176.2	-176.1	-81.2	0	0	0	110.9	F358 A359 E360	N356-F358 PolarHBondContact O-N 3.29Å; N356-F358 WeakPolarHBondContact OD1-CB 3.47Å; N356-F358 PolarHBondContact OD1-N 3.03Å; N356-F358 VanDerWaalsContact OD1-N 3.11Å; N356-A359 HydrophobicContact CB-CB 3.96Å; N356-A359 PolarHBondContact O-N 2.9Å; N356-A359 WeakPolarHBondContact OD1-CB 3.4Å; N356-A359 PolarHBondContact OD1-N 2.95Å; N356-E360 PolarHBondContact N-OE2 2.77Å; N356-E360 PolarHBondContact O-N 3.33Å; N356-E360 VanDerWaalsContact O-N 3.1Å
357	F	98.7	Very high	98.8	Very high	67 Å²	67	24.5 Å²	24.5	29%	0.294	12%	0.122	S	C	.	.	I	π-helix	trans	-56.8	-46.5	-177.7	-177	-79.7	0	0	0	112.4	G106 R294 N361 E362	G106-F357 WeakPolarHBondContact O-CZ 3.37Å; R294-F357 VanDerWaalsContact NH2-CZ 3.32Å; F357-N361 HydrophobicContact CD1-CB 4.41Å; F357-N361 HydrophobicContact CD2-CB 4.24Å; F357-N361 HydrophobicContact CE1-CB 4.35Å; F357-N361 HydrophobicContact CE2-CB 4.22Å; F357-N361 WeakPolarHBondContact CE2-ND2 3.12Å; F357-N361 HydrophobicContact CG-CB 4.34Å; F357-N361 HydrophobicContact CZ-CB 4.25Å; F357-N361 WeakPolarHBondContact CZ-ND2 3.39Å; F357-N361 WeakPolarHBondContact O-CA 3.19Å; F357-N361 WeakPolarHBondContact O-CB 3.22Å; F357-N361 PolarHBondContact O-N 3.3Å; F357-E362 HydrophobicContact CE1-CB 4.49Å; F357-E362 PolarHBondContact O-N 3.26Å
358	F	98.8	Very high	98.8	Very high	76 Å²	76	21.2 Å²	21.2	33%	0.333	11%	0.109	S	C	.	.	I	π-helix	trans	-64.8	-50.9	-178.5	-178.1	-88.7	0	0	0	110.9	I97 N356 E360 E362 Q363	I97-F358 HydrophobicContact CD1-CE2 4.12Å; I97-F358 HydrophobicContact CD1-CZ 3.91Å; I97-F358 HydrophobicContact CG1-CE2 3.88Å; I97-F358 HydrophobicContact CG1-CZ 3.94Å; I97-F358 HydrophobicContact CG2-CZ 3.99Å; N356-F358 PolarHBondContact O-N 3.29Å; N356-F358 WeakPolarHBondContact OD1-CB 3.47Å; N356-F358 PolarHBondContact OD1-N 3.03Å; N356-F358 VanDerWaalsContact OD1-N 3.11Å; F358-E360 VanDerWaalsContact C-N 3.29Å; F358-E360 PolarHBondContact O-N 3.42Å; F358-E362 HydrophobicContact CD2-CB 4.09Å; F358-E362 HydrophobicContact CD2-CG 4.17Å; F358-E362 HydrophobicContact CE2-CG 4.33Å; F358-E362 HydrophobicContact CG-CB 4.45Å; F358-E362 WeakPolarHBondContact O-CB 3.35Å; F358-E362 PolarHBondContact O-N 3.39Å; F358-Q363 HydrophobicContact CD1-CG 4.2Å; F358-Q363 HydrophobicContact CE1-CG 3.89Å; F358-Q363 HydrophobicContact CZ-CG 4.38Å; F358-Q363 WeakPolarHBondContact O-CG 3.37Å; F358-Q363 PolarHBondContact O-N 3.23Å
359	A	98.8	Very high	98.8	Very high	36 Å²	36	22.2 Å²	22.2	30%	0.298	12%	0.118	S	C	.	.	I	π-helix	trans	-62.5	-35.5	-173.5	0	0	0	0	0	113.2	N356 Q363	N356-A359 HydrophobicContact CB-CB 3.96Å; N356-A359 PolarHBondContact O-N 2.9Å; N356-A359 WeakPolarHBondContact OD1-CB 3.4Å; N356-A359 PolarHBondContact OD1-N 2.95Å; A359-Q363 PolarHBondContact O-NE2 2.87Å
360	E	98.9	Very high	98.8	Very high	15 Å²	15	24.7 Å²	24.7	7%	0.07	13%	0.13	C	C	.	.	I	π-helix	trans	-106.7	-48.9	-173.1	-65.2	168.2	86	0	0	113	H110 F138 P354 D355 N356 F358 A364 I408	H110-E360 IonicContact CD2-OE1 3.74Å; H110-E360 IonicContact CE1-OE1 2.66Å; H110-E360 PolarHBondContact CE1-OE1 2.89Å; H110-E360 IonicContact NE2-OE1 2.75Å; H110-E360 PolarHBondContact NE2-OE1 3.24Å; F138-E360 WeakPolarHBondContact CE1-O 3.42Å; F138-E360 HydrophobicContact CE2-CB 4.47Å; F138-E360 HydrophobicContact CZ-CB 4.22Å; F138-E360 WeakPolarHBondContact CZ-O 3.47Å; P354-E360 HydrophobicContact CB-CB 3.95Å; P354-E360 HydrophobicContact CB-CG 4.43Å; P354-E360 WeakPolarHBondContact CB-OE2 3.36Å; D355-E360 WeakPolarHBondContact CA-OE2 3.15Å; D355-E360 PolarHBondContact N-OE2 2.89Å; N356-E360 PolarHBondContact N-OE2 2.77Å; N356-E360 PolarHBondContact O-N 3.33Å; N356-E360 VanDerWaalsContact O-N 3.1Å; F358-E360 VanDerWaalsContact C-N 3.29Å; F358-E360 PolarHBondContact O-N 3.42Å; E360-A364 VanDerWaalsContact O-CB 3.3Å; E360-A364 WeakPolarHBondContact O-CB 3.49Å; E360-I408 HydrophobicContact CB-CD1 4.37Å; E360-I408 HydrophobicContact CB-CG1 4.4Å; E360-I408 HydrophobicContact CG-CD1 4.47Å
361	N	98.8	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-80.4	-57.6	-179.9	179.3	-9.9	0	0	0	111.3	R100 G106 S107 A108 R140 F357 Q363 A364	R100-N361 PolarHBondContact NH2-O 2.99Å; G106-N361 PolarHBondContact O-ND2 3.37Å; G106-N361 VanDerWaalsContact O-ND2 3.13Å; S107-N361 WeakPolarHBondContact CA-ND2 3.35Å; A108-N361 HydrophobicContact CB-CB 3.9Å; A108-N361 PolarHBondContact N-ND2 3.24Å; R140-N361 WeakPolarHBondContact CD-OD1 3.15Å; R140-N361 PolarHBondContact NE-OD1 3.31Å; F357-N361 HydrophobicContact CD1-CB 4.41Å; F357-N361 HydrophobicContact CD2-CB 4.24Å; F357-N361 HydrophobicContact CE1-CB 4.35Å; F357-N361 HydrophobicContact CE2-CB 4.22Å; F357-N361 WeakPolarHBondContact CE2-ND2 3.12Å; F357-N361 HydrophobicContact CG-CB 4.34Å; F357-N361 HydrophobicContact CZ-CB 4.25Å; F357-N361 WeakPolarHBondContact CZ-ND2 3.39Å; F357-N361 WeakPolarHBondContact O-CA 3.19Å; F357-N361 WeakPolarHBondContact O-CB 3.22Å; F357-N361 PolarHBondContact O-N 3.3Å; N361-Q363 VanDerWaalsContact C-N 3.32Å; N361-Q363 PolarHBondContact O-N 2.96Å; N361-A364 WeakPolarHBondContact O-CB 3.48Å; N361-A364 PolarHBondContact O-N 3.45Å
362	E	98.8	Very high	98.8	Very high	20 Å²	20	25 Å²	25	9%	0.093	13%	0.131	C	C	.	.	I	π-helix	trans	-63	-42.6	-171.8	-166.7	52.6	-128.2	0	0	111	I97 R100 F357 F358 A364 R397	I97-E362 HydrophobicContact CD1-CG 4.31Å; R100-E362 PolarHBondContact NH1-O 3.41Å; R100-E362 IonicContact NH1-OE1 3.92Å; R100-E362 PolarHBondContact NH1-OE1 3.13Å; R100-E362 IonicContact NH1-OE2 2.89Å; R100-E362 PolarHBondContact NH2-O 3.39Å; F357-E362 HydrophobicContact CE1-CB 4.49Å; F357-E362 PolarHBondContact O-N 3.26Å; F358-E362 HydrophobicContact CD2-CB 4.09Å; F358-E362 HydrophobicContact CD2-CG 4.17Å; F358-E362 HydrophobicContact CE2-CG 4.33Å; F358-E362 HydrophobicContact CG-CB 4.45Å; F358-E362 WeakPolarHBondContact O-CB 3.35Å; F358-E362 PolarHBondContact O-N 3.39Å; E362-A364 PolarHBondContact O-N 3.09Å; E362-R397 PolarHBondContact O-NH1 3.23Å
363	Q	98.9	Very high	98.8	Very high	44 Å²	44	25.5 Å²	25.5	21%	0.206	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.2	179.9	-62.1	-174.5	125	0	0	115.4	I97 F358 A359 N361 A365 L398 I406 N409	I97-Q363 HydrophobicContact CD1-CG 4.3Å; F358-Q363 HydrophobicContact CD1-CG 4.2Å; F358-Q363 HydrophobicContact CE1-CG 3.89Å; F358-Q363 HydrophobicContact CZ-CG 4.38Å; F358-Q363 WeakPolarHBondContact O-CG 3.37Å; F358-Q363 PolarHBondContact O-N 3.23Å; A359-Q363 PolarHBondContact O-NE2 2.87Å; N361-Q363 VanDerWaalsContact C-N 3.32Å; N361-Q363 PolarHBondContact O-N 2.96Å; Q363-A365 PolarHBondContact O-N 2.83Å; Q363-L398 HydrophobicContact CB-CD2 4.3Å; Q363-L398 HydrophobicContact CG-CD2 4.46Å; Q363-I406 HydrophobicContact CB-CD1 4.4Å; Q363-I406 HydrophobicContact CB-CG2 3.98Å; Q363-N409 PolarHBondContact O-ND2 2.75Å
364	A	98.9	Very high	98.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.			trans	-62	134.2	175.1	0	0	0	0	0	111.6	R100 F138 E360 N361 E362 F366 R397 I408 N409	R100-A364 PolarHBondContact NH2-O 3.19Å; F138-A364 HydrophobicContact CD1-CB 4.21Å; F138-A364 HydrophobicContact CE1-CB 3.78Å; E360-A364 VanDerWaalsContact O-CB 3.3Å; E360-A364 WeakPolarHBondContact O-CB 3.49Å; N361-A364 WeakPolarHBondContact O-CB 3.48Å; N361-A364 PolarHBondContact O-N 3.45Å; E362-A364 PolarHBondContact O-N 3.09Å; A364-F366 HydrophobicContact CB-CD2 4.32Å; A364-F366 HydrophobicContact CB-CE2 3.59Å; A364-F366 HydrophobicContact CB-CZ 4.16Å; A364-R397 PolarHBondContact O-NH2 3.14Å; A364-I408 HydrophobicContact CB-CG2 4.28Å; A364-N409 WeakPolarHBondContact CA-OD1 3.47Å
365	A	98.9	Very high	98.8	Very high	3 Å²	3	25.6 Å²	25.6	3%	0.025	14%	0.137	C	C	.	.			trans	-115.5	115.2	174.8	0	0	0	0	0	109.5	K163 Q363 Q394 L398 F403 N409	K163-A365 WeakPolarHBondContact CE-O 3.2Å; K163-A365 PolarHBondContact NZ-O 3.43Å; Q363-A365 PolarHBondContact O-N 2.83Å; A365-Q394 HydrophobicContact CB-CG 4.32Å; A365-L398 HydrophobicContact CB-CD1 3.9Å; A365-F403 HydrophobicContact CB-CD2 3.99Å; A365-F403 HydrophobicContact CB-CE2 4.29Å; A365-N409 PolarHBondContact N-OD1 3.19Å
366	F	98.8	Very high	98.8	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.057	13%	0.13	C	C	.	.			trans	-107.1	142.7	174.5	-58.4	-96.1	0	0	0	108.7	F138 R140 A161 K163 D172 V174 A364 Y390	F138-F366 AromaticContact CD1-CZ 3.84Å; F138-F366 HydrophobicContact CD1-CZ 3.84Å; F138-F366 HydrophobicContact CE1-CZ 4.31Å; F138-F366 WeakPolarHBondContact O-CE1 3.48Å; R140-F366 HydrophobicContact CB-CE2 3.62Å; R140-F366 HydrophobicContact CB-CZ 3.68Å; R140-F366 HydrophobicContact CG-CE2 4.47Å; A161-F366 HydrophobicContact CB-CB 4.2Å; A161-F366 HydrophobicContact CB-CD1 3.76Å; A161-F366 HydrophobicContact CB-CD2 4.2Å; A161-F366 HydrophobicContact CB-CE1 4.09Å; A161-F366 HydrophobicContact CB-CG 3.8Å; A161-F366 HydrophobicContact CB-CZ 4.46Å; K163-F366 HydrophobicContact CB-CD1 3.86Å; K163-F366 HydrophobicContact CB-CE1 3.54Å; D172-F366 VanDerWaalsContact OD2-CA 3.32Å; D172-F366 WeakPolarHBondContact OD2-CA 3.31Å; V174-F366 HydrophobicContact CG2-CB 3.88Å; A364-F366 HydrophobicContact CB-CD2 4.32Å; A364-F366 HydrophobicContact CB-CE2 3.59Å; A364-F366 HydrophobicContact CB-CZ 4.16Å; F366-Y390 WeakPolarHBondContact O-CD1 3.43Å
367	H	98.6	Very high	98.8	Very high	13 Å²	13	22.3 Å²	22.3	6%	0.06	12%	0.117	C	C	.	.			trans	-149.8	122.3	179.9	170.1	40.5	0	0	0	111.4	D172 G369 H370 L387 Y390 T391	D172-H367 VanDerWaalsContact CB-O 3.32Å; D172-H367 WeakPolarHBondContact CB-O 3.19Å; D172-H367 PolarHBondContact OD2-N 2.71Å; H367-G369 PolarHBondContact CE1-N 2.78Å; H367-G369 PolarHBondContact ND1-N 3.43Å; H367-G369 VanDerWaalsContact NE2-CA 3.31Å; H367-G369 WeakPolarHBondContact NE2-CA 3.32Å; H367-G369 PolarHBondContact NE2-N 3.2Å; H367-G369 PolarHBondContact O-N 3.28Å; H367-H370 AromaticContact CD2-CD2 3.54Å; H367-H370 AromaticContact CD2-NE2 3.7Å; H367-H370 WeakPolarHBondContact O-CB 3.37Å; H367-H370 PolarHBondContact O-N 2.89Å; H367-L387 PolarHBondContact CE1-O 3.12Å; H367-L387 PolarHBondContact NE2-O 3.44Å; H367-Y390 WeakPolarHBondContact ND1-CB 3.37Å; H367-Y390 AromaticContact ND1-CG 3.94Å; H367-T391 PolarHBondContact NE2-OG1 3.18Å
368	P	98.6	Very high	98.8	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.019	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.8	179.3	26.9	-36.6	0	0	0	114.4	V174 H370 L383 R386 Y390	V174-P368 HydrophobicContact CB-CB 4.45Å; V174-P368 HydrophobicContact CG2-CB 4.49Å; P368-H370 VanDerWaalsContact C-N 3.33Å; P368-L383 HydrophobicContact CB-CD1 4.34Å; P368-R386 HydrophobicContact CG-CB 3.97Å; P368-Y390 HydrophobicContact CG-CD2 4.25Å; P368-Y390 HydrophobicContact CG-CE2 4.31Å
369	G	98.6	Very high	98.8	Very high	20 Å²	20	19.2 Å²	19.2	21%	0.206	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.1	171.1	0	0	0	0	0	114.3	H367 I371	H367-G369 PolarHBondContact CE1-N 2.78Å; H367-G369 PolarHBondContact ND1-N 3.43Å; H367-G369 VanDerWaalsContact NE2-CA 3.31Å; H367-G369 WeakPolarHBondContact NE2-CA 3.32Å; H367-G369 PolarHBondContact NE2-N 3.2Å; H367-G369 PolarHBondContact O-N 3.28Å; G369-I371 VanDerWaalsContact C-N 3.27Å; G369-I371 PolarHBondContact O-N 2.86Å
370	H	98.9	Very high	98.8	Very high	57 Å²	57	17.5 Å²	17.5	26%	0.264	9%	0.093	S	C	.	.			trans	-76.2	83.1	165.8	-62.8	157.7	0	0	0	109.3	F171 D172 H367 P368	F171-H370 WeakPolarHBondContact CA-O 3.33Å; F171-H370 WeakPolarHBondContact CD2-O 3.36Å; D172-H370 HydrophobicContact CB-CB 4.15Å; D172-H370 PolarHBondContact N-O 2.85Å; D172-H370 IonicContact OD2-CE1 3.03Å; D172-H370 IonicContact OD2-CG 2.69Å; D172-H370 IonicContact OD2-ND1 3.55Å; D172-H370 PolarHBondContact OD2-ND1 2.75Å; H367-H370 AromaticContact CD2-CD2 3.54Å; H367-H370 AromaticContact CD2-NE2 3.7Å; H367-H370 WeakPolarHBondContact O-CB 3.37Å; H367-H370 PolarHBondContact O-N 2.89Å; P368-H370 VanDerWaalsContact C-N 3.33Å
371	I	98.9	Very high	98.8	Very high	24 Å²	24	18.4 Å²	18.4	12%	0.123	10%	0.1	C	C	.	.			trans	-106.6	170.2	170	61.7	169.4	0	0	0	110.6	G369 L375 F377 F457	G369-I371 VanDerWaalsContact C-N 3.27Å; G369-I371 PolarHBondContact O-N 2.86Å; I371-L375 HydrophobicContact CB-CB 4.24Å; I371-F377 HydrophobicContact CB-CE1 4.48Å; I371-F377 HydrophobicContact CB-CZ 4.43Å; I371-F377 HydrophobicContact CD1-CD1 4.26Å; I371-F377 HydrophobicContact CD1-CD2 4.05Å; I371-F377 HydrophobicContact CD1-CE1 3.72Å; I371-F377 HydrophobicContact CD1-CE2 3.49Å; I371-F377 VanDerWaalsContact CD1-CE2 3.49Å; I371-F377 HydrophobicContact CD1-CG 4.42Å; I371-F377 HydrophobicContact CD1-CZ 3.32Å; I371-F377 HydrophobicContact CG1-CE1 4.09Å; I371-F377 HydrophobicContact CG1-CE2 4.17Å; I371-F377 HydrophobicContact CG1-CZ 3.6Å; I371-F377 HydrophobicContact CG2-CD1 4.46Å; I371-F377 HydrophobicContact CG2-CE1 3.61Å; I371-F377 HydrophobicContact CG2-CZ 4.01Å; I371-F457 HydrophobicContact CD1-CE2 3.5Å; I371-F457 VanDerWaalsContact CD1-CE2 3.5Å; I371-F457 HydrophobicContact CD1-CZ 3.58Å; I371-F457 HydrophobicContact CG1-CE2 3.9Å; I371-F457 HydrophobicContact CG1-CZ 4.29Å
372	V	98.8	Very high	98.8	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	10%	0.101	C	C	.	.			trans	-124.2	158.3	179.7	-67.3	0	0	0	0	110.1	A125 F127 F171 G374 L375	A125-V372 HydrophobicContact CB-CG2 4.33Å; F127-V372 HydrophobicContact CD1-CG2 4.42Å; F127-V372 HydrophobicContact CE1-CG2 4.29Å; F171-V372 HydrophobicContact CB-CG1 4.02Å; F171-V372 HydrophobicContact CB-CG2 4.24Å; V372-G374 PolarHBondContact O-N 3.29Å; V372-L375 HydrophobicContact CG2-CD1 3.97Å; V372-L375 HydrophobicContact CG2-CG 4.24Å; V372-L375 WeakPolarHBondContact O-CB 3.35Å; V372-L375 PolarHBondContact O-N 2.85Å
373	P	98.8	Very high	98.8	Very high	17 Å²	17	17.5 Å²	17.5	11%	0.11	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	132.2	174.4	-28.6	35.9	0	0	0	112.2	A125 F457	A125-P373 VanDerWaalsContact CA-O 3.25Å; A125-P373 WeakPolarHBondContact CA-O 3.5Å; A125-P373 PolarHBondContact N-O 2.82Å; P373-F457 HydrophobicContact CG-CB 4.35Å
374	G	98.7	Very high	98.8	Very high	3 Å²	3	19.3 Å²	19.3	3%	0.031	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	-6	-174.4	0	0	0	0	0	114.8	T123 L254 I255 V372	T123-G374 PolarHBondContact OG1-O 2.58Å; L254-G374 WeakPolarHBondContact CA-O 3.38Å; I255-G374 PolarHBondContact N-O 3.08Å; I255-G374 WeakPolarHBondContact O-CA 3.41Å; V372-G374 PolarHBondContact O-N 3.29Å
375	L	98.9	Very high	98.8	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151.5	162.4	-54.6	-179.1	0	0	0	109.1	F171 R253 L254 F266 I371 V372	F171-L375 HydrophobicContact CD1-CD1 4.15Å; F171-L375 HydrophobicContact CD2-CD1 3.73Å; F171-L375 HydrophobicContact CE1-CD1 4.05Å; F171-L375 HydrophobicContact CE2-CD1 3.64Å; F171-L375 HydrophobicContact CG-CD1 4Å; F171-L375 HydrophobicContact CZ-CD1 3.8Å; R253-L375 CarbonylContact O-C 3.38Å; R253-L375 WeakPolarHBondContact O-CA 3.42Å; L254-L375 HydrophobicContact CD2-CD2 3.29Å; F266-L375 HydrophobicContact CZ-CD2 4.49Å; I371-L375 HydrophobicContact CB-CB 4.24Å; V372-L375 HydrophobicContact CG2-CD1 3.97Å; V372-L375 HydrophobicContact CG2-CG 4.24Å; V372-L375 WeakPolarHBondContact O-CB 3.35Å; V372-L375 PolarHBondContact O-N 2.85Å
376	D	98.9	Very high	98.8	Very high	10 Å²	10	22 Å²	22	5%	0.053	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	170.4	169.7	-151.9	-10.3	0	0	0	111.3	R253 I255 S459 Y460	R253-D376 HydrophobicContact CB-CB 4.09Å; R253-D376 PolarHBondContact N-O 3.23Å; R253-D376 PolarHBondContact O-N 3.05Å; I255-D376 HydrophobicContact CD1-CB 4.48Å; I255-D376 HydrophobicContact CG1-CB 4.12Å; D376-S459 WeakPolarHBondContact OD2-CA 3.12Å; D376-Y460 WeakPolarHBondContact OD2-CB 3.49Å; D376-Y460 PolarHBondContact OD2-N 3.29Å
377	F	98.9	Very high	98.7	Very high	39 Å²	39	23.2 Å²	23.2	17%	0.171	13%	0.13	C	C	.	.			trans	-86.3	172.6	179.7	-48.3	-65.5	0	0	0	112.3	F252 R253 I371 L383 L387	F252-F377 HydrophobicContact CD1-CD1 4.37Å; F252-F377 HydrophobicContact CE1-CD1 4.16Å; R253-F377 PolarHBondContact NH1-O 3.29Å; I371-F377 HydrophobicContact CB-CE1 4.48Å; I371-F377 HydrophobicContact CB-CZ 4.43Å; I371-F377 HydrophobicContact CD1-CD1 4.26Å; I371-F377 HydrophobicContact CD1-CD2 4.05Å; I371-F377 HydrophobicContact CD1-CE1 3.72Å; I371-F377 HydrophobicContact CD1-CE2 3.49Å; I371-F377 VanDerWaalsContact CD1-CE2 3.49Å; I371-F377 HydrophobicContact CD1-CG 4.42Å; I371-F377 HydrophobicContact CD1-CZ 3.32Å; I371-F377 HydrophobicContact CG1-CE1 4.09Å; I371-F377 HydrophobicContact CG1-CE2 4.17Å; I371-F377 HydrophobicContact CG1-CZ 3.6Å; I371-F377 HydrophobicContact CG2-CD1 4.46Å; I371-F377 HydrophobicContact CG2-CE1 3.61Å; I371-F377 HydrophobicContact CG2-CZ 4.01Å; F377-L383 HydrophobicContact CB-CD2 4.41Å; F377-L383 HydrophobicContact CD1-CD2 4.37Å; F377-L387 HydrophobicContact CD1-CD1 3.96Å; F377-L387 HydrophobicContact CD1-CD2 3.95Å; F377-L387 HydrophobicContact CD2-CD1 3.86Å; F377-L387 HydrophobicContact CE1-CD1 4.06Å; F377-L387 HydrophobicContact CE1-CD2 3.58Å; F377-L387 HydrophobicContact CE1-CG 4.5Å; F377-L387 HydrophobicContact CE2-CD1 3.95Å; F377-L387 HydrophobicContact CG-CD1 3.85Å; F377-L387 HydrophobicContact CZ-CD1 4.05Å; F377-L387 HydrophobicContact CZ-CD2 4Å
378	T	98.9	Very high	98.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.157	C	C	.	.			trans	-125.3	175.6	165.8	67	0	0	0	0	109.9	T251 R253 F263 L329 D380 Q384	T251-T378 HydrophobicContact CG2-CG2 4.22Å; T251-T378 WeakPolarHBondContact O-CB 3.48Å; T251-T378 WeakPolarHBondContact O-CG2 3.46Å; T251-T378 PolarHBondContact O-OG1 2.92Å; R253-T378 HydrophobicContact CG-CG2 3.98Å; F263-T378 HydrophobicContact CD1-CG2 3.94Å; F263-T378 HydrophobicContact CE1-CG2 3.9Å; L329-T378 HydrophobicContact CD2-CG2 4.2Å; T378-D380 PolarHBondContact O-N 3.45Å; T378-D380 PolarHBondContact OG1-N 2.99Å; T378-Q384 PolarHBondContact O-NE2 2.94Å
379	N	98.8	Very high	98.7	Very high	78 Å²	78	31.7 Å²	31.7	42%	0.417	17%	0.173	S	C	.	.			trans	-81.8	20.9	177	-63.7	-29.9	0	0	0	114	L329 P381 E462	L329-N379 HydrophobicContact CD1-CB 4.03Å; N379-P381 VanDerWaalsContact O-CD 3.23Å; N379-P381 WeakPolarHBondContact O-CD 3.39Å; N379-E462 PolarHBondContact ND2-OE1 3.22Å; N379-E462 PolarHBondContact ND2-OE2 3.45Å
380	D	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.			trans	-52.1	113.4	166.3	174.7	-37.9	0	0	0	109	H250 L329 T378 L382 L383 Q384	H250-D380 WeakPolarHBondContact CB-OD2 3.45Å; H250-D380 IonicContact CE1-OD2 3.06Å; H250-D380 IonicContact CG-OD2 3.79Å; H250-D380 VanDerWaalsContact ND1-CG 3.35Å; H250-D380 IonicContact ND1-OD1 3.62Å; H250-D380 IonicContact ND1-OD2 3.91Å; H250-D380 PolarHBondContact ND1-OD2 2.77Å; L329-D380 WeakPolarHBondContact O-CA 3.21Å; L329-D380 WeakPolarHBondContact O-CB 3.35Å; T378-D380 PolarHBondContact O-N 3.45Å; T378-D380 PolarHBondContact OG1-N 2.99Å; D380-L382 PolarHBondContact O-N 2.89Å; D380-L382 WeakPolarHBondContact OD1-CA 3.43Å; D380-L382 WeakPolarHBondContact OD1-CB 3.35Å; D380-L382 PolarHBondContact OD1-N 2.88Å; D380-L383 HydrophobicContact CB-CB 3.89Å; D380-L383 WeakPolarHBondContact O-CB 3.5Å; D380-L383 PolarHBondContact O-N 3.42Å; D380-L383 VanDerWaalsContact O-N 3.12Å; D380-L383 PolarHBondContact OD1-N 3.41Å; D380-Q384 WeakPolarHBondContact O-CG 3.4Å; D380-Q384 PolarHBondContact O-N 3.19Å
381	P	98.8	Very high	98.7	Very high	33 Å²	33	33.2 Å²	33.2	21%	0.214	18%	0.177	C	C	.	.	H	α-helix	trans	-72.8	-15.8	-168.7	23	-26	0	0	0	113.1	Q184 A186 N379 F476	Q184-P381 WeakPolarHBondContact O-CG 3.24Å; A186-P381 PolarHBondContact N-O 3.41Å; N379-P381 VanDerWaalsContact O-CD 3.23Å; N379-P381 WeakPolarHBondContact O-CD 3.39Å; P381-F476 HydrophobicContact CG-CE2 3.68Å; P381-F476 HydrophobicContact CG-CZ 4.08Å
382	L	98.7	Very high	98.7	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-78.3	-45.9	169.1	-177.5	63	0	0	0	110.6	F181 I183 Q184 A186 F189 P331 D380 Q384 G385 R386	F181-L382 HydrophobicContact CB-CD2 3.64Å; F181-L382 HydrophobicContact CD1-CD1 4.49Å; F181-L382 HydrophobicContact CD1-CD2 3.37Å; F181-L382 HydrophobicContact CE1-CD2 4.27Å; F181-L382 HydrophobicContact CG-CD2 3.69Å; I183-L382 HydrophobicContact CD1-CD1 4.12Å; I183-L382 HydrophobicContact CG1-CD1 4.09Å; Q184-L382 PolarHBondContact O-N 2.93Å; A186-L382 HydrophobicContact CB-CD1 4.14Å; F189-L382 HydrophobicContact CD2-CD1 4.47Å; P331-L382 HydrophobicContact CB-CB 4.34Å; P331-L382 HydrophobicContact CB-CD2 3.97Å; P331-L382 HydrophobicContact CG-CB 3.76Å; P331-L382 HydrophobicContact CG-CD2 3.93Å; D380-L382 PolarHBondContact O-N 2.89Å; D380-L382 WeakPolarHBondContact OD1-CA 3.43Å; D380-L382 WeakPolarHBondContact OD1-CB 3.35Å; D380-L382 PolarHBondContact OD1-N 2.88Å; L382-Q384 VanDerWaalsContact C-N 3.32Å; L382-Q384 PolarHBondContact O-N 2.84Å; L382-G385 PolarHBondContact O-N 2.71Å; L382-R386 WeakPolarHBondContact O-CG 3.46Å; L382-R386 PolarHBondContact O-N 2.84Å
383	L	98.8	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.3	-48.3	176.3	176.3	58.6	0	0	0	110.8	H250 F252 P368 F377 D380 G385 R386 L387	H250-L383 HydrophobicContact CB-CB 4.25Å; H250-L383 HydrophobicContact CB-CD2 4.06Å; F252-L383 HydrophobicContact CD1-CD2 4.15Å; F252-L383 HydrophobicContact CE1-CD1 3.99Å; F252-L383 HydrophobicContact CE1-CD2 3.78Å; F252-L383 HydrophobicContact CE2-CD2 4.49Å; F252-L383 HydrophobicContact CZ-CD1 3.78Å; F252-L383 HydrophobicContact CZ-CD2 3.96Å; P368-L383 HydrophobicContact CB-CD1 4.34Å; F377-L383 HydrophobicContact CB-CD2 4.41Å; F377-L383 HydrophobicContact CD1-CD2 4.37Å; D380-L383 HydrophobicContact CB-CB 3.89Å; D380-L383 WeakPolarHBondContact O-CB 3.5Å; D380-L383 PolarHBondContact O-N 3.42Å; D380-L383 VanDerWaalsContact O-N 3.12Å; D380-L383 PolarHBondContact OD1-N 3.41Å; L383-G385 VanDerWaalsContact C-N 3.32Å; L383-G385 PolarHBondContact O-N 3.11Å; L383-R386 WeakPolarHBondContact O-CA 3.28Å; L383-R386 WeakPolarHBondContact O-CB 3.37Å; L383-R386 PolarHBondContact O-N 2.77Å; L383-L387 HydrophobicContact CD1-CD2 4.01Å; L383-L387 HydrophobicContact CG-CD2 4.46Å; L383-L387 WeakPolarHBondContact O-CG 3.26Å; L383-L387 PolarHBondContact O-N 2.92Å; L383-L387 VanDerWaalsContact O-N 3.16Å
384	Q	98.8	Very high	98.6	Very high	82 Å²	82	37.1 Å²	37.1	38%	0.383	20%	0.198	S	C	.	.	H	α-helix	trans	-53.2	-45.8	-178	-73.4	-65.7	-40.7	0	0	112.7	T378 D380 L382 L387	T378-Q384 PolarHBondContact O-NE2 2.94Å; D380-Q384 WeakPolarHBondContact O-CG 3.4Å; D380-Q384 PolarHBondContact O-N 3.19Å; L382-Q384 VanDerWaalsContact C-N 3.32Å; L382-Q384 PolarHBondContact O-N 2.84Å; Q384-L387 WeakPolarHBondContact O-CB 3.48Å; Q384-L387 PolarHBondContact O-N 2.9Å
385	G	98.5	Very high	98.6	Very high	29 Å²	29	40.6 Å²	40.6	30%	0.299	22%	0.215	S	C	.	.	H	α-helix	trans	-73.3	-26.6	177	0	0	0	0	0	114.3	A186 L382 L383 L387 F388 S389	A186-G385 VanDerWaalsContact CB-CA 3.5Å; L382-G385 PolarHBondContact O-N 2.71Å; L383-G385 VanDerWaalsContact C-N 3.32Å; L383-G385 PolarHBondContact O-N 3.11Å; G385-L387 PolarHBondContact O-N 3.29Å; G385-F388 PolarHBondContact O-N 3.38Å; G385-S389 PolarHBondContact O-N 3.5Å
386	R	98.6	Very high	98.6	Very high	31 Å²	31	44.2 Å²	44.2	12%	0.117	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-29.4	172.4	-67.8	177	72.6	-158.5	0.8	111.9	V174 H250 P368 L382 L383 F388 S389 Y390	V174-R386 PolarHBondContact O-NH1 2.93Å; V174-R386 PolarHBondContact O-NH2 2.93Å; H250-R386 PolarHBondContact CD2-NH1 3.08Å; H250-R386 PolarHBondContact NE2-NH1 3.47Å; P368-R386 HydrophobicContact CG-CB 3.97Å; L382-R386 WeakPolarHBondContact O-CG 3.46Å; L382-R386 PolarHBondContact O-N 2.84Å; L383-R386 WeakPolarHBondContact O-CA 3.28Å; L383-R386 WeakPolarHBondContact O-CB 3.37Å; L383-R386 PolarHBondContact O-N 2.77Å; R386-F388 PolarHBondContact O-N 3.08Å; R386-S389 PolarHBondContact O-N 2.94Å; R386-Y390 HydrophobicContact CB-CD2 4.21Å; R386-Y390 HydrophobicContact CB-CE2 4.04Å; R386-Y390 HydrophobicContact CG-CE2 4.14Å; R386-Y390 PolarHBondContact NH2-OH 3.13Å; R386-Y390 WeakPolarHBondContact O-CD2 3.33Å
387	L	98.3	Very high	98.6	Very high	37 Å²	37	44 Å²	44	19%	0.194	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-28.1	176.6	-53.6	-172.3	0	0	0	112.2	H367 F377 L383 Q384 G385	H367-L387 PolarHBondContact CE1-O 3.12Å; H367-L387 PolarHBondContact NE2-O 3.44Å; F377-L387 HydrophobicContact CD1-CD1 3.96Å; F377-L387 HydrophobicContact CD1-CD2 3.95Å; F377-L387 HydrophobicContact CD2-CD1 3.86Å; F377-L387 HydrophobicContact CE1-CD1 4.06Å; F377-L387 HydrophobicContact CE1-CD2 3.58Å; F377-L387 HydrophobicContact CE1-CG 4.5Å; F377-L387 HydrophobicContact CE2-CD1 3.95Å; F377-L387 HydrophobicContact CG-CD1 3.85Å; F377-L387 HydrophobicContact CZ-CD1 4.05Å; F377-L387 HydrophobicContact CZ-CD2 4Å; L383-L387 HydrophobicContact CD1-CD2 4.01Å; L383-L387 HydrophobicContact CG-CD2 4.46Å; L383-L387 WeakPolarHBondContact O-CG 3.26Å; L383-L387 PolarHBondContact O-N 2.92Å; L383-L387 VanDerWaalsContact O-N 3.16Å; Q384-L387 WeakPolarHBondContact O-CB 3.48Å; Q384-L387 PolarHBondContact O-N 2.9Å; G385-L387 PolarHBondContact O-N 3.29Å
388	F	98.6	Very high	98.6	Very high	145 Å²	145	43.2 Å²	43.2	64%	0.636	24%	0.237	S	C	*	.	H	α-helix	trans	-78.5	-53.2	173	170.8	-97.1	0	0	0	112.3	G385 R386 Y390 D392	G385-F388 PolarHBondContact O-N 3.38Å; R386-F388 PolarHBondContact O-N 3.08Å; F388-Y390 PolarHBondContact O-N 3.03Å; F388-D392 HydrophobicContact CE1-CB 4.2Å; F388-D392 HydrophobicContact CZ-CB 4.2Å; F388-D392 PolarHBondContact O-N 3.3Å
389	S	98.3	Very high	98.6	Very high	50 Å²	50	45.5 Å²	45.5	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-38.3	-162.1	175	0	0	0	0	114.6	G385 R386 T391 D392 T393	G385-S389 PolarHBondContact O-N 3.5Å; R386-S389 PolarHBondContact O-N 2.94Å; S389-T391 VanDerWaalsContact C-N 3.34Å; S389-T391 PolarHBondContact O-N 2.88Å; S389-D392 PolarHBondContact O-N 2.82Å; S389-T393 WeakPolarHBondContact O-CB 3.12Å; S389-T393 WeakPolarHBondContact O-CG2 3.44Å; S389-T393 PolarHBondContact O-N 3.11Å
390	Y	98.2	Very high	98.5	Very high	48 Å²	48	42.1 Å²	42.1	19%	0.188	24%	0.244	C	C	.	.	H	α-helix	trans	-81.1	-12.5	-168.5	-82.4	-101.9	0	0	0	114	V174 F366 H367 P368 R386 F388 Q394	V174-Y390 HydrophobicContact CG1-CE1 4.17Å; F366-Y390 WeakPolarHBondContact O-CD1 3.43Å; H367-Y390 WeakPolarHBondContact ND1-CB 3.37Å; H367-Y390 AromaticContact ND1-CG 3.94Å; P368-Y390 HydrophobicContact CG-CD2 4.25Å; P368-Y390 HydrophobicContact CG-CE2 4.31Å; R386-Y390 HydrophobicContact CB-CD2 4.21Å; R386-Y390 HydrophobicContact CB-CE2 4.04Å; R386-Y390 HydrophobicContact CG-CE2 4.14Å; R386-Y390 PolarHBondContact NH2-OH 3.13Å; R386-Y390 WeakPolarHBondContact O-CD2 3.33Å; F388-Y390 PolarHBondContact O-N 3.03Å; Y390-Q394 WeakPolarHBondContact O-CG 3.36Å; Y390-Q394 PolarHBondContact O-NE2 3.04Å
391	T	98.5	Very high	98.5	Very high	61 Å²	61	45.1 Å²	45.1	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-85.4	-46.2	164	-61.3	0	0	0	0	110	H367 S389 T393 Q394	H367-T391 PolarHBondContact NE2-OG1 3.18Å; S389-T391 VanDerWaalsContact C-N 3.34Å; S389-T391 PolarHBondContact O-N 2.88Å; T391-T393 PolarHBondContact O-N 3.42Å; T391-Q394 PolarHBondContact O-N 2.89Å
392	D	98.7	Very high	98.5	Very high	89 Å²	89	44.4 Å²	44.4	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-55.8	-52.1	-179.4	175.4	56.1	0	0	0	112.6	F388 S389 Q394 I395	F388-D392 HydrophobicContact CE1-CB 4.2Å; F388-D392 HydrophobicContact CZ-CB 4.2Å; F388-D392 PolarHBondContact O-N 3.3Å; S389-D392 PolarHBondContact O-N 2.82Å; D392-Q394 PolarHBondContact O-N 3Å; D392-I395 WeakPolarHBondContact O-CB 3.43Å; D392-I395 WeakPolarHBondContact O-CG1 3.38Å; D392-I395 PolarHBondContact O-N 2.88Å
393	T	97.7	Very high	98.5	Very high	29 Å²	29	45.4 Å²	45.4	18%	0.178	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-19.8	-175.5	-167.3	0	0	0	0	113.8	S389 T391 I395 S396 R397	S389-T393 WeakPolarHBondContact O-CB 3.12Å; S389-T393 WeakPolarHBondContact O-CG2 3.44Å; S389-T393 PolarHBondContact O-N 3.11Å; T391-T393 PolarHBondContact O-N 3.42Å; T393-I395 VanDerWaalsContact C-N 3.33Å; T393-S396 PolarHBondContact O-OG 2.58Å; T393-R397 VanDerWaalsContact O-CB 3.27Å; T393-R397 WeakPolarHBondContact O-CB 3.23Å; T393-R397 PolarHBondContact O-N 2.71Å
394	Q	98.4	Very high	98.5	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-78.8	-21.7	-179.3	-41.9	-52.3	-21	0	0	112.1	A365 Y390 T391 D392 S396 R397 L398 F403	A365-Q394 HydrophobicContact CB-CG 4.32Å; Y390-Q394 WeakPolarHBondContact O-CG 3.36Å; Y390-Q394 PolarHBondContact O-NE2 3.04Å; T391-Q394 PolarHBondContact O-N 2.89Å; D392-Q394 PolarHBondContact O-N 3Å; Q394-S396 VanDerWaalsContact C-N 3.31Å; Q394-S396 PolarHBondContact O-N 3.41Å; Q394-R397 PolarHBondContact O-N 2.85Å; Q394-L398 HydrophobicContact CB-CD1 4.43Å; Q394-L398 WeakPolarHBondContact O-CA 3.49Å; Q394-L398 WeakPolarHBondContact O-CB 3.42Å; Q394-L398 PolarHBondContact O-N 2.82Å; Q394-F403 HydrophobicContact CB-CD1 3.65Å; Q394-F403 HydrophobicContact CB-CD2 4.46Å; Q394-F403 HydrophobicContact CB-CE1 3.78Å; Q394-F403 HydrophobicContact CB-CG 4.03Å; Q394-F403 HydrophobicContact CB-CZ 4.26Å; Q394-F403 HydrophobicContact CG-CE1 4.3Å; Q394-F403 HydrophobicContact CG-CE2 4.5Å; Q394-F403 HydrophobicContact CG-CZ 4.3Å
395	I	98.7	Very high	98.5	Very high	75 Å²	75	44 Å²	44	39%	0.385	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-44.4	179.9	-56.9	-56.8	0	0	0	110.4	D392 T393 G399 G400 P401	D392-I395 WeakPolarHBondContact O-CB 3.43Å; D392-I395 WeakPolarHBondContact O-CG1 3.38Å; D392-I395 PolarHBondContact O-N 2.88Å; T393-I395 VanDerWaalsContact C-N 3.33Å; I395-G399 CarbonylContact O-C 3.55Å; I395-G399 PolarHBondContact O-N 2.69Å; I395-G400 PolarHBondContact O-N 2.66Å; I395-P401 HydrophobicContact CD1-CB 4.17Å
396	S	98.3	Very high	98.5	Very high	82 Å²	82	43.9 Å²	43.9	57%	0.573	25%	0.248	S	C	*	.	H	α-helix	trans	-80.8	-47	175.1	57.3	0	0	0	0	112	T393 Q394 L398 G399	T393-S396 PolarHBondContact O-OG 2.58Å; Q394-S396 VanDerWaalsContact C-N 3.31Å; Q394-S396 PolarHBondContact O-N 3.41Å; S396-L398 PolarHBondContact O-N 3.16Å; S396-G399 PolarHBondContact O-N 3.5Å
397	R	98.7	Very high	98.6	Very high	6 Å²	6	44.1 Å²	44.1	2%	0.023	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-41	-174	-166.3	179.8	68	91.5	-3.7	113.3	P98 E362 A364 T393 Q394	P98-R397 VanDerWaalsContact O-CG 3.26Å; P98-R397 WeakPolarHBondContact O-CG 3.34Å; E362-R397 PolarHBondContact O-NH1 3.23Å; A364-R397 PolarHBondContact O-NH2 3.14Å; T393-R397 VanDerWaalsContact O-CB 3.27Å; T393-R397 WeakPolarHBondContact O-CB 3.23Å; T393-R397 PolarHBondContact O-N 2.71Å; Q394-R397 PolarHBondContact O-N 2.85Å
398	L	98.8	Very high	98.6	Very high	22 Å²	22	42.4 Å²	42.4	12%	0.115	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	15.6	-175.5	-58.9	-177.5	0	0	0	112.7	I97 Q363 A365 Q394 S396 G400 F403 I406	I97-L398 HydrophobicContact CD1-CD2 4.02Å; Q363-L398 HydrophobicContact CB-CD2 4.3Å; Q363-L398 HydrophobicContact CG-CD2 4.46Å; A365-L398 HydrophobicContact CB-CD1 3.9Å; Q394-L398 HydrophobicContact CB-CD1 4.43Å; Q394-L398 WeakPolarHBondContact O-CA 3.49Å; Q394-L398 WeakPolarHBondContact O-CB 3.42Å; Q394-L398 PolarHBondContact O-N 2.82Å; S396-L398 PolarHBondContact O-N 3.16Å; L398-G400 VanDerWaalsContact C-N 3.33Å; L398-G400 PolarHBondContact O-N 3.43Å; L398-F403 HydrophobicContact CB-CB 3.74Å; L398-F403 HydrophobicContact CD1-CB 3.61Å; L398-F403 HydrophobicContact CD1-CG 4.27Å; L398-F403 HydrophobicContact CG-CB 4.33Å; L398-I406 HydrophobicContact CB-CD1 4.24Å; L398-I406 HydrophobicContact CD1-CD1 4.28Å; L398-I406 HydrophobicContact CD2-CD1 4.4Å
399	G	98.5	Very high	98.6	Very high	48 Å²	48	35.8 Å²	35.8	50%	0.495	22%	0.216	S	C	.	.	S	Bend	trans	75.9	9.8	168.4	0	0	0	0	0	116.3	I395 S396 M423	I395-G399 CarbonylContact O-C 3.55Å; I395-G399 PolarHBondContact O-N 2.69Å; S396-G399 PolarHBondContact O-N 3.5Å; G399-M423 WeakPolarHBondContact O-CB 3.47Å; G399-M423 WeakPolarHBondContact O-CG 3.32Å
400	G	98.3	Very high	98.6	Very high	8 Å²	8	35.6 Å²	35.6	8%	0.082	21%	0.207	C	C	.	.	S	Bend	trans	152.7	-172.1	172	0	0	0	0	0	114.8	I395 L398 N402 F403	I395-G400 PolarHBondContact O-N 2.66Å; L398-G400 VanDerWaalsContact C-N 3.33Å; L398-G400 PolarHBondContact O-N 3.43Å; G400-N402 VanDerWaalsContact C-N 3.29Å; G400-N402 PolarHBondContact O-N 2.84Å; G400-F403 WeakPolarHBondContact O-CD1 3.45Å
401	P	98.7	Very high	98.7	Very high	63 Å²	63	34.8 Å²	34.8	41%	0.409	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-75	-14.9	-175.9	31.5	-36.5	0	0	0	114	I395 F403 H404	I395-P401 HydrophobicContact CD1-CB 4.17Å; P401-F403 PolarHBondContact O-N 2.68Å; P401-H404 PolarHBondContact O-ND1 3.23Å
402	N	98.8	Very high	98.7	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.091	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-84.1	17.9	-178.9	-68.1	-41.6	0	0	0	113.5	G400 H404 E405 D421 G422 M423 R425	G400-N402 VanDerWaalsContact C-N 3.29Å; G400-N402 PolarHBondContact O-N 2.84Å; N402-H404 PolarHBondContact O-N 3.11Å; N402-E405 HydrophobicContact CB-CG 4.43Å; N402-E405 WeakPolarHBondContact O-CB 3.2Å; N402-E405 PolarHBondContact O-N 3.19Å; N402-D421 PolarHBondContact ND2-O 3.37Å; N402-G422 PolarHBondContact ND2-O 3.04Å; N402-M423 PolarHBondContact ND2-O 2.91Å; N402-R425 PolarHBondContact OD1-NH1 2.78Å
403	F	98.8	Very high	98.7	Very high	23 Å²	23	29.9 Å²	29.9	10%	0.101	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-58.9	-20.3	179.2	65.2	-101.4	0	0	0	114	A365 Q394 L398 G400 P401 E405 I406 N409	A365-F403 HydrophobicContact CB-CD2 3.99Å; A365-F403 HydrophobicContact CB-CE2 4.29Å; Q394-F403 HydrophobicContact CB-CD1 3.65Å; Q394-F403 HydrophobicContact CB-CD2 4.46Å; Q394-F403 HydrophobicContact CB-CE1 3.78Å; Q394-F403 HydrophobicContact CB-CG 4.03Å; Q394-F403 HydrophobicContact CB-CZ 4.26Å; Q394-F403 HydrophobicContact CG-CE1 4.3Å; Q394-F403 HydrophobicContact CG-CE2 4.5Å; Q394-F403 HydrophobicContact CG-CZ 4.3Å; L398-F403 HydrophobicContact CB-CB 3.74Å; L398-F403 HydrophobicContact CD1-CB 3.61Å; L398-F403 HydrophobicContact CD1-CG 4.27Å; L398-F403 HydrophobicContact CG-CB 4.33Å; G400-F403 WeakPolarHBondContact O-CD1 3.45Å; P401-F403 PolarHBondContact O-N 2.68Å; F403-E405 VanDerWaalsContact C-N 3.27Å; F403-E405 PolarHBondContact O-N 3.21Å; F403-I406 HydrophobicContact CB-CD1 4.44Å; F403-I406 WeakPolarHBondContact O-CB 3.31Å; F403-I406 PolarHBondContact O-N 3.31Å; F403-N409 WeakPolarHBondContact O-CB 3.25Å; F403-N409 PolarHBondContact O-ND2 3.23Å
404	H	98.8	Very high	98.7	Very high	40 Å²	40	33.7 Å²	33.7	19%	0.185	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-70	-21.4	173.8	69.9	-84.3	0	0	0	113.1	P401 N402 I406 N409 R410	P401-H404 PolarHBondContact O-ND1 3.23Å; N402-H404 PolarHBondContact O-N 3.11Å; H404-I406 VanDerWaalsContact C-N 3.34Å; H404-N409 CarbonylContact O-C 3.49Å; H404-R410 WeakPolarHBondContact O-CA 3.39Å; H404-R410 WeakPolarHBondContact O-CG 3.35Å; H404-R410 PolarHBondContact O-N 3.03Å
405	E	98.9	Very high	98.7	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.056	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-82.4	-14.4	176.6	-57.4	-170.7	125.5	0	0	112.3	N402 F403 R425 M426 G427	N402-E405 HydrophobicContact CB-CG 4.43Å; N402-E405 WeakPolarHBondContact O-CB 3.2Å; N402-E405 PolarHBondContact O-N 3.19Å; F403-E405 VanDerWaalsContact C-N 3.27Å; F403-E405 PolarHBondContact O-N 3.21Å; E405-R425 IonicContact OE1-CZ 3.26Å; E405-R425 IonicContact OE1-NE 3.89Å; E405-R425 IonicContact OE1-NH1 3.15Å; E405-R425 PolarHBondContact OE1-NH1 2.91Å; E405-R425 WeakPolarHBondContact OE2-CA 3.19Å; E405-R425 IonicContact OE2-NH1 2.69Å; E405-M426 HydrophobicContact CB-CB 4.16Å; E405-M426 HydrophobicContact CB-CG 4.07Å; E405-M426 PolarHBondContact OE2-N 3.44Å; E405-G427 WeakPolarHBondContact OE1-CA 3.42Å; E405-G427 PolarHBondContact OE1-N 2.79Å
406	I	98.8	Very high	98.7	Very high	27 Å²	27	41.4 Å²	41.4	14%	0.138	24%	0.238	C	C	.	.	S	Bend	trans	-58.9	130.5	170.5	-63.5	176.4	0	0	0	108.1	Q363 L398 F403 H404 I408 N409 R410	Q363-I406 HydrophobicContact CB-CD1 4.4Å; Q363-I406 HydrophobicContact CB-CG2 3.98Å; L398-I406 HydrophobicContact CB-CD1 4.24Å; L398-I406 HydrophobicContact CD1-CD1 4.28Å; L398-I406 HydrophobicContact CD2-CD1 4.4Å; F403-I406 HydrophobicContact CB-CD1 4.44Å; F403-I406 WeakPolarHBondContact O-CB 3.31Å; F403-I406 PolarHBondContact O-N 3.31Å; H404-I406 VanDerWaalsContact C-N 3.34Å; I406-I408 VanDerWaalsContact C-N 3.32Å; I406-I408 HydrophobicContact CG2-CG2 4.25Å; I406-I408 PolarHBondContact O-N 3.08Å; I406-I408 VanDerWaalsContact O-N 3.07Å; I406-N409 WeakPolarHBondContact O-CA 3.33Å; I406-N409 PolarHBondContact O-N 2.85Å; I406-R410 PolarHBondContact O-N 3.27Å
407	P	98.9	Very high	98.7	Very high	36 Å²	36	40.4 Å²	40.4	23%	0.234	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-53.1	-41.8	-164.2	-32.7	37.2	0	0	0	115.7	K39 L43 V46 N409 R410	K39-P407 PolarHBondContact NZ-O 3.18Å; L43-P407 HydrophobicContact CD2-CB 3.57Å; L43-P407 WeakPolarHBondContact CD2-O 3.27Å; V46-P407 HydrophobicContact CB-CG 4.16Å; V46-P407 HydrophobicContact CG1-CB 4.41Å; V46-P407 HydrophobicContact CG1-CG 3.76Å; V46-P407 HydrophobicContact CG2-CB 3.74Å; V46-P407 HydrophobicContact CG2-CG 3.8Å; P407-N409 VanDerWaalsContact C-N 3.29Å; P407-N409 PolarHBondContact O-N 2.8Å; P407-R410 PolarHBondContact O-N 3.07Å
408	I	98.9	Very high	98.7	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-65.5	-32.1	178.4	-166.6	62.5	0	0	0	112.2	K39 L43 F138 Y165 E360 A364 I406	K39-I408 VanDerWaalsContact CE-O 3.25Å; K39-I408 WeakPolarHBondContact CE-O 3.36Å; K39-I408 PolarHBondContact NZ-O 3.29Å; L43-I408 HydrophobicContact CD1-CD1 4.34Å; F138-I408 HydrophobicContact CB-CD1 4.42Å; F138-I408 HydrophobicContact CD1-CD1 4.2Å; F138-I408 HydrophobicContact CD1-CG1 4.05Å; F138-I408 HydrophobicContact CD2-CD1 3.96Å; F138-I408 HydrophobicContact CE1-CD1 4.43Å; F138-I408 HydrophobicContact CE1-CG1 4.1Å; F138-I408 HydrophobicContact CE2-CD1 4.19Å; F138-I408 HydrophobicContact CG-CD1 3.95Å; F138-I408 HydrophobicContact CG-CG1 4.31Å; F138-I408 HydrophobicContact CZ-CD1 4.41Å; F138-I408 HydrophobicContact CZ-CG1 4.4Å; Y165-I408 WeakPolarHBondContact CE1-O 3.33Å; Y165-I408 PolarHBondContact OH-O 2.99Å; E360-I408 HydrophobicContact CB-CD1 4.37Å; E360-I408 HydrophobicContact CB-CG1 4.4Å; E360-I408 HydrophobicContact CG-CD1 4.47Å; A364-I408 HydrophobicContact CB-CG2 4.28Å; I406-I408 VanDerWaalsContact C-N 3.32Å; I406-I408 HydrophobicContact CG2-CG2 4.25Å; I406-I408 PolarHBondContact O-N 3.08Å; I406-I408 VanDerWaalsContact O-N 3.07Å
409	N	98.9	Very high	98.7	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-84.3	-14.5	-178.5	-61.3	-35.2	0	0	0	113.8	I170 Q363 A364 A365 F403 H404 I406 P407	I170-N409 WeakPolarHBondContact CD1-O 3.44Å; Q363-N409 PolarHBondContact O-ND2 2.75Å; A364-N409 WeakPolarHBondContact CA-OD1 3.47Å; A365-N409 PolarHBondContact N-OD1 3.19Å; F403-N409 WeakPolarHBondContact O-CB 3.25Å; F403-N409 PolarHBondContact O-ND2 3.23Å; H404-N409 CarbonylContact O-C 3.49Å; I406-N409 WeakPolarHBondContact O-CA 3.33Å; I406-N409 PolarHBondContact O-N 2.85Å; P407-N409 VanDerWaalsContact C-N 3.29Å; P407-N409 PolarHBondContact O-N 2.8Å
410	R	98.9	Very high	98.7	Very high	46 Å²	46	47.2 Å²	47.2	17%	0.174	24%	0.241	C	C	.	.			trans	-59.6	131.1	-179.8	-64.7	-173.2	-60.5	-170.2	-1.5	111.7	K39 S42 D45 H404 I406 P407	K39-R410 PolarHBondContact NZ-O 2.85Å; S42-R410 PolarHBondContact O-NH2 3.38Å; D45-R410 VanDerWaalsContact CG-NH2 3.33Å; D45-R410 IonicContact OD1-CZ 3.84Å; D45-R410 IonicContact OD1-NH2 2.73Å; D45-R410 PolarHBondContact OD1-NH2 3.37Å; D45-R410 IonicContact OD2-CZ 2.6Å; D45-R410 IonicContact OD2-NH1 2.88Å; D45-R410 PolarHBondContact OD2-NH1 3.04Å; D45-R410 IonicContact OD2-NH2 3.66Å; D45-R410 PolarHBondContact OD2-NH2 2.83Å; H404-R410 WeakPolarHBondContact O-CA 3.39Å; H404-R410 WeakPolarHBondContact O-CG 3.35Å; H404-R410 PolarHBondContact O-N 3.03Å; I406-R410 PolarHBondContact O-N 3.27Å; P407-R410 PolarHBondContact O-N 3.07Å
411	P	98.9	Very high	98.7	Very high	30 Å²	30	52.9 Å²	52.9	20%	0.195	27%	0.27	C	S	.	.			trans	-58.4	151.8	163.4	-20.2	32	0	0	0	111.1	I170 Y415	I170-P411 HydrophobicContact CD1-CB 4.22Å; I170-P411 HydrophobicContact CD1-CG 3.92Å; I170-P411 HydrophobicContact CG1-CB 4.22Å; I170-P411 HydrophobicContact CG1-CG 4.26Å; P411-Y415 HydrophobicContact CB-CD1 4.27Å; P411-Y415 HydrophobicContact CG-CD1 4.08Å
412	T	98.7	Very high	98.7	Very high	30 Å²	30	51.9 Å²	51.9	18%	0.184	27%	0.271	C	S	.	.	S	Bend	trans	-87.1	-24	168.3	52.3	0	0	0	0	111.6	E38 K39	E38-T412 HydrophobicContact CG-CG2 4.25Å; K39-T412 HydrophobicContact CB-CG2 4.22Å; K39-T412 HydrophobicContact CD-CG2 4.07Å
413	C	98.7	Very high	98.7	Very high	18 Å²	18	57.6 Å²	57.6	12%	0.122	30%	0.298	C	S	.	.	S	Bend	trans	-76.5	164.1	172.1	70.8	0	0	0	0	112.3	E167 G169	E167-C413 WeakPolarHBondContact O-CB 3.46Å; G169-C413 PolarHBondContact N-SG 2.98Å
414	P	98.6	Very high	98.7	Very high	109 Å²	109	63.7 Å²	63.7	71%	0.708	33%	0.327	S	S	*	.			trans	-58.7	144.2	173	-23.4	34.3	0	0	0	112.8
415	Y	98.7	Very high	98.6	Very high	102 Å²	102	65 Å²	65	40%	0.4	33%	0.33	S	S	.	.			trans	-139.1	118.9	168.8	58.4	-86.5	0	0	0	109	P411	P411-Y415 HydrophobicContact CB-CD1 4.27Å; P411-Y415 HydrophobicContact CG-CD1 4.08Å
416	H	98.7	Very high	98.6	Very high	143 Å²	143	70.3 Å²	70.3	66%	0.662	36%	0.356	S	S	*	.			trans	-142.1	129.8	179.4	-62.5	84.2	0	0	0	108.5	P445	H416-P445 HydrophobicContact CB-CB 4.06Å; H416-P445 HydrophobicContact CB-CG 4.13Å
417	N	98.8	Very high	98.6	Very high	61 Å²	61	70.4 Å²	70.4	33%	0.326	36%	0.364	S	S	.	.			trans	-155.3	-169.4	180	61.7	43	0	0	0	110.2	Q419 R420	N417-Q419 WeakPolarHBondContact OD1-CB 3.13Å; N417-Q419 PolarHBondContact OD1-N 3.13Å; N417-R420 PolarHBondContact O-NH1 2.94Å; N417-R420 PolarHBondContact O-NH2 3.02Å
418	F	98.8	Very high	98.6	Very high	40 Å²	40	76.2 Å²	76.2	18%	0.175	39%	0.392	C	S	.	.	S	Bend	trans	-101.1	6.2	-178.6	-60.9	-74.7	0	0	0	114.1	R420 Y435 E436 P445	F418-R420 VanDerWaalsContact C-NH1 3.34Å; F418-Y435 VanDerWaalsContact CE1-O 3.27Å; F418-Y435 WeakPolarHBondContact CE1-O 3.18Å; F418-E436 HydrophobicContact CD2-CB 3.94Å; F418-E436 HydrophobicContact CE2-CB 3.52Å; F418-E436 HydrophobicContact CE2-CG 4.26Å; F418-E436 WeakPolarHBondContact CE2-OE2 3.2Å; F418-E436 HydrophobicContact CZ-CB 3.94Å; F418-P445 HydrophobicContact CE2-CG 4.1Å; F418-P445 WeakPolarHBondContact CE2-O 3.44Å; F418-P445 HydrophobicContact CZ-CG 4.05Å; F418-P445 WeakPolarHBondContact CZ-O 3.45Å
419	Q	98.6	Very high	98.6	Very high	122 Å²	122	79 Å²	79	57%	0.57	41%	0.407	S	S	*	.			trans	-70.6	136.3	175.3	-59.6	-178.4	12.9	0	0	110.5	N417	N417-Q419 WeakPolarHBondContact OD1-CB 3.13Å; N417-Q419 PolarHBondContact OD1-N 3.13Å
420	R	98.1	Very high	98.5	Very high	56 Å²	56	85.1 Å²	85.1	21%	0.211	45%	0.445	C	S	.	.			trans	-137.1	171.1	-178.6	-59.7	-65.1	177.6	-91.5	-3	110.5	N417 F418 D429 A433 N434	N417-R420 PolarHBondContact O-NH1 2.94Å; N417-R420 PolarHBondContact O-NH2 3.02Å; F418-R420 VanDerWaalsContact C-NH1 3.34Å; R420-D429 WeakPolarHBondContact CD-OD2 3.46Å; R420-D429 VanDerWaalsContact CZ-CG 3.46Å; R420-D429 IonicContact CZ-OD1 3.79Å; R420-D429 IonicContact CZ-OD2 3.46Å; R420-D429 IonicContact NE-OD1 2.67Å; R420-D429 IonicContact NE-OD2 2.68Å; R420-D429 IonicContact NH1-OD1 3.09Å; R420-D429 PolarHBondContact NH1-OD1 3.09Å; R420-D429 IonicContact NH1-OD2 2.94Å; R420-D429 IonicContact NH2-OD1 2.92Å; R420-A433 PolarHBondContact NH2-O 3.05Å; R420-N434 HydrophobicContact CG-CB 3.84Å
421	D	98.4	Very high	98.5	Very high	128 Å²	128	84.5 Å²	84.5	68%	0.684	44%	0.444	S	S	*	.			trans	62.3	-141.5	173.1	-51.1	-17.3	0	0	0	113	N402	N402-D421 PolarHBondContact ND2-O 3.37Å
422	G	98.2	Very high	98.5	Very high	41 Å²	41	87.3 Å²	87.3	42%	0.423	46%	0.463	S	S	.	.			trans	76.4	163	-172.9	0	0	0	0	0	113.5	N402	N402-G422 PolarHBondContact ND2-O 3.04Å
423	M	98.6	Very high	98.5	Very high	137 Å²	137	85.9 Å²	85.9	68%	0.675	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	141.5	179.5	-169.5	62	72.4	0	0	111	G399 N402 R425	G399-M423 WeakPolarHBondContact O-CB 3.47Å; G399-M423 WeakPolarHBondContact O-CG 3.32Å; N402-M423 PolarHBondContact ND2-O 2.91Å; M423-R425 VanDerWaalsContact C-N 3.3Å; M423-R425 PolarHBondContact O-N 2.8Å
424	H	98.3	Very high	98.5	Very high	152 Å²	152	89.8 Å²	89.8	70%	0.704	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	41.4	175.3	-149.5	141.8	0	0	0	114	M426	H424-M426 PolarHBondContact CD2-SD 3.37Å; H424-M426 PolarHBondContact O-N 3.13Å
425	R	98.6	Very high	98.5	Very high	68 Å²	68	90 Å²	90	26%	0.257	46%	0.462	S	S	.	.			trans	-63.3	118.4	176.1	-178.2	60.2	179.2	179.9	-1.1	111	N402 E405 M423 G427 D429	N402-R425 PolarHBondContact OD1-NH1 2.78Å; E405-R425 IonicContact OE1-CZ 3.26Å; E405-R425 IonicContact OE1-NE 3.89Å; E405-R425 IonicContact OE1-NH1 3.15Å; E405-R425 PolarHBondContact OE1-NH1 2.91Å; E405-R425 WeakPolarHBondContact OE2-CA 3.19Å; E405-R425 IonicContact OE2-NH1 2.69Å; M423-R425 VanDerWaalsContact C-N 3.3Å; M423-R425 PolarHBondContact O-N 2.8Å; R425-G427 WeakPolarHBondContact CG-O 3.46Å; R425-G427 PolarHBondContact NE-O 3.02Å; R425-D429 IonicContact CZ-OD2 3.36Å; R425-D429 IonicContact NE-OD2 3.87Å; R425-D429 IonicContact NH2-OD1 3.05Å; R425-D429 IonicContact NH2-OD2 3.87Å; R425-D429 PolarHBondContact NH2-OD2 2.53Å
426	M	98.6	Very high	98.4	Very high	122 Å²	122	88.9 Å²	88.9	60%	0.601	46%	0.46	S	S	*	.			trans	-93.2	-42	178.7	-60	-61.8	-72.1	0	0	111.9	E405 H424 I428	E405-M426 HydrophobicContact CB-CB 4.16Å; E405-M426 HydrophobicContact CB-CG 4.07Å; E405-M426 PolarHBondContact OE2-N 3.44Å; H424-M426 PolarHBondContact CD2-SD 3.37Å; H424-M426 PolarHBondContact O-N 3.13Å; M426-I428 PolarHBondContact O-N 3.27Å
427	G	97.9	Very high	98.4	Very high	29 Å²	29	87.2 Å²	87.2	30%	0.299	46%	0.461	S	S	.	.			trans	-68.7	121.9	178.8	0	0	0	0	0	112.2	E405 R425	E405-G427 WeakPolarHBondContact OE1-CA 3.42Å; E405-G427 PolarHBondContact OE1-N 2.79Å; R425-G427 WeakPolarHBondContact CG-O 3.46Å; R425-G427 PolarHBondContact NE-O 3.02Å
428	I	98.7	Very high	98.4	Very high	158 Å²	158	84.9 Å²	84.9	81%	0.81	45%	0.449	S	S	*	.			trans	-96.8	95.1	171	-58.7	176.9	0	0	0	108	M426 T430	M426-I428 PolarHBondContact O-N 3.27Å; I428-T430 PolarHBondContact O-N 3.44Å
429	D	98.6	Very high	98.4	Very high	60 Å²	60	88 Å²	88	32%	0.321	48%	0.476	S	S	.	.			trans	-67.7	124.4	176.8	-65.9	-85.9	0	0	0	110.9	R420 R425	R420-D429 WeakPolarHBondContact CD-OD2 3.46Å; R420-D429 VanDerWaalsContact CZ-CG 3.46Å; R420-D429 IonicContact CZ-OD1 3.79Å; R420-D429 IonicContact CZ-OD2 3.46Å; R420-D429 IonicContact NE-OD1 2.67Å; R420-D429 IonicContact NE-OD2 2.68Å; R420-D429 IonicContact NH1-OD1 3.09Å; R420-D429 PolarHBondContact NH1-OD1 3.09Å; R420-D429 IonicContact NH1-OD2 2.94Å; R420-D429 IonicContact NH2-OD1 2.92Å; R425-D429 IonicContact CZ-OD2 3.36Å; R425-D429 IonicContact NE-OD2 3.87Å; R425-D429 IonicContact NH2-OD1 3.05Å; R425-D429 IonicContact NH2-OD2 3.87Å; R425-D429 PolarHBondContact NH2-OD2 2.53Å
430	T	98.4	Very high	98.4	Very high	136 Å²	136	86.8 Å²	86.8	83%	0.834	47%	0.472	S	S	*	.			trans	-92.2	-5.4	176.7	58.8	0	0	0	0	113.1	I428 P432	I428-T430 PolarHBondContact O-N 3.44Å; T430-P432 WeakPolarHBondContact O-CD 3.09Å
431	N	98.2	Very high	98.4	Very high	32 Å²	32	86.6 Å²	86.6	17%	0.171	48%	0.476	C	S	.	.			trans	-63.8	123.6	-176.4	-170.2	-16.9	0	0	0	110.3	A433 N441 W444	N431-A433 WeakPolarHBondContact CB-O 3.31Å; N431-A433 PolarHBondContact ND2-O 3.14Å; N431-A433 PolarHBondContact O-N 2.86Å; N431-A433 VanDerWaalsContact O-N 3.15Å; N431-A433 PolarHBondContact OD1-N 2.96Å; N431-A433 PolarHBondContact OD1-O 2.96Å; N431-N441 PolarHBondContact ND2-ND2 3.03Å; N431-N441 VanDerWaalsContact OD1-CB 3.32Å; N431-N441 WeakPolarHBondContact OD1-CB 3.15Å; N431-N441 PolarHBondContact OD1-ND2 3.35Å; N431-W444 PolarHBondContact ND2-O 2.85Å
432	P	98.3	Very high	98.4	Very high	89 Å²	89	85.3 Å²	85.3	58%	0.578	47%	0.468	S	S	*	.	S	Bend	trans	-59.3	-22.6	173.4	-23.3	34	0	0	0	113.5	T430 I440	T430-P432 WeakPolarHBondContact O-CD 3.09Å; P432-I440 HydrophobicContact CB-CD1 4.22Å; P432-I440 HydrophobicContact CB-CG1 4.5Å; P432-I440 WeakPolarHBondContact O-CD1 3.46Å
433	A	98.5	Very high	98.4	Very high	1 Å²	1	84.9 Å²	84.9	1%	0.008	46%	0.457	C	S	.	.			trans	-105	139.3	176.4	0	0	0	0	0	112.5	R420 N431 N438 I440 N441	R420-A433 PolarHBondContact NH2-O 3.05Å; N431-A433 WeakPolarHBondContact CB-O 3.31Å; N431-A433 PolarHBondContact ND2-O 3.14Å; N431-A433 PolarHBondContact O-N 2.86Å; N431-A433 VanDerWaalsContact O-N 3.15Å; N431-A433 PolarHBondContact OD1-N 2.96Å; N431-A433 PolarHBondContact OD1-O 2.96Å; A433-N438 HydrophobicContact CB-CB 3.85Å; A433-N438 VanDerWaalsContact CB-CG 3.41Å; A433-I440 HydrophobicContact CB-CD1 4.01Å; A433-I440 HydrophobicContact CB-CG1 3.91Å; A433-N441 HydrophobicContact CB-CB 4.25Å
434	N	98.5	Very high	98.4	Very high	100 Å²	100	84.8 Å²	84.8	54%	0.535	45%	0.449	S	S	.	.	S	Bend	trans	-121.8	25.7	168	66.2	-14.5	0	0	0	111.5	R420	R420-N434 HydrophobicContact CG-CB 3.84Å
435	Y	98.7	Very high	98.5	Very high	114 Å²	114	78.9 Å²	78.9	45%	0.447	42%	0.424	S	S	.	.	S	Bend	trans	-148.5	162.6	179.3	65.7	-87.1	0	0	0	111.2	F418 P437 N438 I440	F418-Y435 VanDerWaalsContact CE1-O 3.27Å; F418-Y435 WeakPolarHBondContact CE1-O 3.18Å; Y435-P437 WeakPolarHBondContact CD2-O 3.14Å; Y435-P437 WeakPolarHBondContact CE2-O 3.33Å; Y435-N438 HydrophobicContact CD2-CB 4.04Å; Y435-N438 HydrophobicContact CE2-CB 3.62Å; Y435-N438 WeakPolarHBondContact O-CB 3.46Å; Y435-N438 PolarHBondContact O-ND2 3.17Å; Y435-I440 HydrophobicContact CE1-CD1 4.45Å
436	E	98.3	Very high	98.4	Very high	77 Å²	77	80.9 Å²	80.9	36%	0.36	43%	0.432	S	S	.	.	S	Bend	trans	-138.2	142.2	176.4	176.3	176.4	-159	0	0	109.6	F418 N443	F418-E436 HydrophobicContact CD2-CB 3.94Å; F418-E436 HydrophobicContact CE2-CB 3.52Å; F418-E436 HydrophobicContact CE2-CG 4.26Å; F418-E436 WeakPolarHBondContact CE2-OE2 3.2Å; F418-E436 HydrophobicContact CZ-CB 3.94Å; E436-N443 PolarHBondContact OE1-ND2 3.33Å
437	P	98.4	Very high	98.4	Very high	108 Å²	108	82.8 Å²	82.8	70%	0.701	44%	0.439	S	S	*	.	S	Bend	cis	-70.6	146.1	-6.5	29.9	-34.7	0	0	0	112.7	Y435 N443	Y435-P437 WeakPolarHBondContact CD2-O 3.14Å; Y435-P437 WeakPolarHBondContact CE2-O 3.33Å; P437-N443 WeakPolarHBondContact CA-OD1 3.12Å
438	N	98.7	Very high	98.5	Very high	13 Å²	13	85.3 Å²	85.3	7%	0.07	45%	0.449	C	S	.	.			trans	-133.9	147.1	175.2	74.9	80.4	0	0	0	112.1	A433 Y435 N441 N443	A433-N438 HydrophobicContact CB-CB 3.85Å; A433-N438 VanDerWaalsContact CB-CG 3.41Å; Y435-N438 HydrophobicContact CD2-CB 4.04Å; Y435-N438 HydrophobicContact CE2-CB 3.62Å; Y435-N438 WeakPolarHBondContact O-CB 3.46Å; Y435-N438 PolarHBondContact O-ND2 3.17Å; N438-N441 WeakPolarHBondContact OD1-CB 3.22Å; N438-N441 PolarHBondContact OD1-N 2.86Å; N438-N441 VanDerWaalsContact OD1-N 3.13Å; N438-N443 PolarHBondContact N-OD1 2.86Å; N438-N443 WeakPolarHBondContact O-CA 3.49Å; N438-N443 WeakPolarHBondContact O-CB 3.18Å; N438-N443 PolarHBondContact O-N 3.47Å; N438-N443 PolarHBondContact OD1-N 3.29Å
439	S	98.3	Very high	98.5	Very high	105 Å²	105	82.6 Å²	82.6	73%	0.734	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-24.1	173	58.6	0	0	0	0	113.1	N441 D442	S439-N441 PolarHBondContact O-N 3.05Å; S439-D442 PolarHBondContact O-N 3.12Å; S439-D442 VanDerWaalsContact O-N 3.08Å
440	I	98.4	Very high	98.4	Very high	97 Å²	97	83 Å²	83	50%	0.497	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-19.5	-174	64.7	174.8	0	0	0	113.5	P432 A433 Y435	P432-I440 HydrophobicContact CB-CD1 4.22Å; P432-I440 HydrophobicContact CB-CG1 4.5Å; P432-I440 WeakPolarHBondContact O-CD1 3.46Å; A433-I440 HydrophobicContact CB-CD1 4.01Å; A433-I440 HydrophobicContact CB-CG1 3.91Å; Y435-I440 HydrophobicContact CE1-CD1 4.45Å
441	N	98.5	Very high	98.3	Very high	52 Å²	52	77.6 Å²	77.6	28%	0.278	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	29.2	170.8	-163.8	50.7	0	0	0	111.5	N431 A433 N438 S439 N443 W444	N431-N441 PolarHBondContact ND2-ND2 3.03Å; N431-N441 VanDerWaalsContact OD1-CB 3.32Å; N431-N441 WeakPolarHBondContact OD1-CB 3.15Å; N431-N441 PolarHBondContact OD1-ND2 3.35Å; A433-N441 HydrophobicContact CB-CB 4.25Å; N438-N441 WeakPolarHBondContact OD1-CB 3.22Å; N438-N441 PolarHBondContact OD1-N 2.86Å; N438-N441 VanDerWaalsContact OD1-N 3.13Å; S439-N441 PolarHBondContact O-N 3.05Å; N441-N443 PolarHBondContact O-N 3.28Å; N441-N443 VanDerWaalsContact O-N 3.09Å; N441-W444 PolarHBondContact ND2-O 2.76Å; N441-W444 PolarHBondContact O-N 3.33Å
442	D	98.5	Very high	98.3	Very high	100 Å²	100	80.1 Å²	80.1	54%	0.535	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	38.2	-178.6	-170.1	36.8	0	0	0	113.3	S439 W444 R446	S439-D442 PolarHBondContact O-N 3.12Å; S439-D442 VanDerWaalsContact O-N 3.08Å; D442-W444 PolarHBondContact O-N 2.87Å; D442-R446 PolarHBondContact O-NE 2.89Å; D442-R446 VanDerWaalsContact O-NE 3.1Å; D442-R446 PolarHBondContact O-NH2 2.78Å; D442-R446 IonicContact OD1-NH2 2.71Å; D442-R446 PolarHBondContact OD1-NH2 3.26Å; D442-R446 IonicContact OD2-NH2 3.96Å; D442-R446 PolarHBondContact OD2-NH2 2.69Å
443	N	98.3	Very high	98.2	Very high	33 Å²	33	82.7 Å²	82.7	18%	0.176	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	18.2	-176.4	-151.3	47.1	0	0	0	116	E436 P437 N438 N441 P445 R446	E436-N443 PolarHBondContact OE1-ND2 3.33Å; P437-N443 WeakPolarHBondContact CA-OD1 3.12Å; N438-N443 PolarHBondContact N-OD1 2.86Å; N438-N443 WeakPolarHBondContact O-CA 3.49Å; N438-N443 WeakPolarHBondContact O-CB 3.18Å; N438-N443 PolarHBondContact O-N 3.47Å; N438-N443 PolarHBondContact OD1-N 3.29Å; N441-N443 PolarHBondContact O-N 3.28Å; N441-N443 VanDerWaalsContact O-N 3.09Å; N443-P445 CarbonylContact O-C 3.55Å; N443-R446 HydrophobicContact CB-CG 4.27Å; N443-R446 WeakPolarHBondContact O-CG 3.16Å
444	W	98.7	Very high	98.1	Very high	134 Å²	134	88.5 Å²	88.5	51%	0.508	46%	0.461	S	S	.	.			trans	-83.7	143.5	177.5	-70.1	100.5	0	0	0	112.6	N431 N441 D442 R446	N431-W444 PolarHBondContact ND2-O 2.85Å; N441-W444 PolarHBondContact ND2-O 2.76Å; N441-W444 PolarHBondContact O-N 3.33Å; D442-W444 PolarHBondContact O-N 2.87Å; W444-R446 HydrophobicContact CD2-CG 4.14Å; W444-R446 HydrophobicContact CE3-CB 4.3Å; W444-R446 HydrophobicContact CE3-CG 4.07Å; W444-R446 HydrophobicContact CZ3-CB 4.23Å; W444-R446 HydrophobicContact CZ3-CG 4.28Å
445	P	98.7	Very high	98.1	Very high	29 Å²	29	84.4 Å²	84.4	19%	0.188	44%	0.442	C	S	.	.	S	Bend	cis	-66.3	148.9	-11.1	30.3	-36.5	0	0	0	112.6	H416 F418 N443	H416-P445 HydrophobicContact CB-CB 4.06Å; H416-P445 HydrophobicContact CB-CG 4.13Å; F418-P445 HydrophobicContact CE2-CG 4.1Å; F418-P445 WeakPolarHBondContact CE2-O 3.44Å; F418-P445 HydrophobicContact CZ-CG 4.05Å; F418-P445 WeakPolarHBondContact CZ-O 3.45Å; N443-P445 CarbonylContact O-C 3.55Å
446	R	98.4	Very high	98	Very high	110 Å²	110	79.8 Å²	79.8	42%	0.415	43%	0.429	S	S	.	.			trans	-104.8	156.7	-176.8	-69.2	-176.5	-178.3	175.8	2.2	112.4	D442 N443 W444	D442-R446 PolarHBondContact O-NE 2.89Å; D442-R446 VanDerWaalsContact O-NE 3.1Å; D442-R446 PolarHBondContact O-NH2 2.78Å; D442-R446 IonicContact OD1-NH2 2.71Å; D442-R446 PolarHBondContact OD1-NH2 3.26Å; D442-R446 IonicContact OD2-NH2 3.96Å; D442-R446 PolarHBondContact OD2-NH2 2.69Å; N443-R446 HydrophobicContact CB-CG 4.27Å; N443-R446 WeakPolarHBondContact O-CG 3.16Å; W444-R446 HydrophobicContact CD2-CG 4.14Å; W444-R446 HydrophobicContact CE3-CB 4.3Å; W444-R446 HydrophobicContact CE3-CG 4.07Å; W444-R446 HydrophobicContact CZ3-CB 4.23Å; W444-R446 HydrophobicContact CZ3-CG 4.28Å
447	E	98.5	Very high	98	Very high	162 Å²	162	80.7 Å²	80.7	76%	0.757	43%	0.432	S	S	*	.			trans	-55.5	145.6	162.1	-62.9	170.9	122.8	0	0	111.8
448	T	98.6	Very high	98	Very high	81 Å²	81	80.6 Å²	80.6	50%	0.497	42%	0.422	S	S	.	.			trans	-111.6	125.6	174.5	-56.3	0	0	0	0	108.9	R454 G456	T448-R454 WeakPolarHBondContact CG2-O 3.44Å; T448-G456 VanDerWaalsContact O-CA 3.23Å; T448-G456 WeakPolarHBondContact O-CA 3.44Å; T448-G456 PolarHBondContact O-N 3.08Å
449	P	98.2	Very high	98	Very high	101 Å²	101	83.3 Å²	83.3	66%	0.656	44%	0.442	S	S	*	.			trans	-59.2	151.8	174.7	-24.4	34.5	0	0	0	112.5	G455 G456	P449-G455 WeakPolarHBondContact O-CA 3.48Å; P449-G456 PolarHBondContact O-N 3.31Å
450	P	98.1	Very high	98.1	Very high	68 Å²	68	81.1 Å²	81.1	44%	0.442	42%	0.418	S	S	.	.			trans	-62.3	145.8	171.4	28.2	-34.2	0	0	0	110	E458	P450-E458 HydrophobicContact CB-CB 4.19Å
451	G	95.9	Very high	98.1	Very high	24 Å²	24	84.2 Å²	84.2	25%	0.247	43%	0.431	C	S	.	.			trans	-165.1	177.3	179.8	0	0	0	0	0	112.8	K453	G451-K453 VanDerWaalsContact C-N 3.33Å; G451-K453 PolarHBondContact O-N 3.36Å
452	P	97.2	Very high	98	Very high	85 Å²	85	84.2 Å²	84.2	55%	0.552	43%	0.429	S	S	*	.	S	Bend	trans	-66.6	-30	-176.5	-23.6	34.9	0	0	0	114.5	A257	A257-P452 HydrophobicContact CB-CB 3.93Å; A257-P452 HydrophobicContact CB-CG 4.48Å
453	K	96.7	Very high	98	Very high	142 Å²	142	88.5 Å²	88.5	62%	0.617	44%	0.438	S	S	*	.	S	Bend	trans	-149.9	148.1	179	-62.8	-172.1	180	-171.3	0	108.5	G451 G455	G451-K453 VanDerWaalsContact C-N 3.33Å; G451-K453 PolarHBondContact O-N 3.36Å; K453-G455 PolarHBondContact O-N 2.83Å; K453-G455 VanDerWaalsContact O-N 3.12Å
454	R	97.2	Very high	98	Very high	123 Å²	123	92.4 Å²	92.4	46%	0.464	46%	0.463	S	S	.	.	S	Bend	trans	52	31.1	-178.2	-60.5	-66.5	-172.9	-85.2	1.5	113.1	D126 E167 E168 T448	D126-R454 VanDerWaalsContact CG-NH1 3.27Å; D126-R454 IonicContact OD1-CZ 3.67Å; D126-R454 IonicContact OD1-NH1 3.96Å; D126-R454 PolarHBondContact OD1-NH1 3.2Å; D126-R454 IonicContact OD2-NH1 3.74Å; E167-R454 IonicContact OE2-CZ 3.47Å; E167-R454 IonicContact OE2-NH2 2.67Å; E167-R454 PolarHBondContact OE2-NH2 2.6Å; E168-R454 VanDerWaalsContact OE1-CA 3.27Å; E168-R454 WeakPolarHBondContact OE1-CA 3.3Å; E168-R454 WeakPolarHBondContact OE1-CD 3.28Å; E168-R454 IonicContact OE1-CZ 3.84Å; E168-R454 PolarHBondContact OE1-N 3.15Å; E168-R454 IonicContact OE1-NE 3.85Å; E168-R454 IonicContact OE1-NH1 3.51Å; E168-R454 PolarHBondContact OE1-NH1 3.08Å; T448-R454 WeakPolarHBondContact CG2-O 3.44Å
455	G	97	Very high	98	Very high	14 Å²	14	92.9 Å²	92.9	14%	0.144	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-88.7	160	-178.9	0	0	0	0	0	112.3	P449 K453	P449-G455 WeakPolarHBondContact O-CA 3.48Å; K453-G455 PolarHBondContact O-N 2.83Å; K453-G455 VanDerWaalsContact O-N 3.12Å
456	G	97.7	Very high	97.9	Very high	17 Å²	17	95 Å²	95	18%	0.175	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-62.8	149.7	166.1	0	0	0	0	0	111.8	T448 P449	T448-G456 VanDerWaalsContact O-CA 3.23Å; T448-G456 WeakPolarHBondContact O-CA 3.44Å; T448-G456 PolarHBondContact O-N 3.08Å; P449-G456 PolarHBondContact O-N 3.31Å
457	F	98.7	Very high	97.9	Very high	96 Å²	96	96.9 Å²	96.9	42%	0.421	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-68.2	131	170.3	-176.1	-87.5	0	0	0	109.5	I371 P373	I371-F457 HydrophobicContact CD1-CE2 3.5Å; I371-F457 VanDerWaalsContact CD1-CE2 3.5Å; I371-F457 HydrophobicContact CD1-CZ 3.58Å; I371-F457 HydrophobicContact CG1-CE2 3.9Å; I371-F457 HydrophobicContact CG1-CZ 4.29Å; P373-F457 HydrophobicContact CG-CB 4.35Å
458	E	98.6	Very high	97.9	Very high	106 Å²	106	99.7 Å²	99.7	50%	0.495	53%	0.526	S	S	.	.			trans	-137	128.3	173.4	179.5	178.1	62.8	0	0	106.8	P450	P450-E458 HydrophobicContact CB-CB 4.19Å
459	S	98.7	Very high	97.9	Very high	70 Å²	70	100.4 Å²	100.4	49%	0.49	53%	0.53	S	S	.	.			trans	-64.8	139.9	174.1	-66.4	0	0	0	0	110.3	D376 Q461	D376-S459 WeakPolarHBondContact OD2-CA 3.12Å; S459-Q461 PolarHBondContact O-N 2.8Å
460	Y	98.5	Very high	97.9	Very high	59 Å²	59	107.9 Å²	107.9	23%	0.231	55%	0.545	C	S	.	.			trans	-54.3	133.7	167.1	-178.8	-115	0	0	0	109.7	I255 A261 E318 D376 E462	I255-Y460 HydrophobicContact CD1-CD2 3.99Å; I255-Y460 HydrophobicContact CD1-CG 3.96Å; A261-Y460 HydrophobicContact CB-CD1 4.24Å; A261-Y460 HydrophobicContact CB-CD2 4.19Å; A261-Y460 HydrophobicContact CB-CE1 3.9Å; A261-Y460 HydrophobicContact CB-CE2 3.88Å; A261-Y460 HydrophobicContact CB-CG 4.36Å; E318-Y460 VanDerWaalsContact CD-OH 3.26Å; E318-Y460 WeakPolarHBondContact OE1-CE1 3.49Å; E318-Y460 PolarHBondContact OE1-OH 2.82Å; E318-Y460 PolarHBondContact OE2-OH 2.72Å; E318-Y460 VanDerWaalsContact OE2-OH 3.1Å; D376-Y460 WeakPolarHBondContact OD2-CB 3.49Å; D376-Y460 PolarHBondContact OD2-N 3.29Å; Y460-E462 HydrophobicContact CD1-CB 4.08Å; Y460-E462 HydrophobicContact CE1-CB 4.41Å; Y460-E462 PolarHBondContact O-N 2.88Å
461	Q	98.5	Very high	98	Very high	162 Å²	162	111.3 Å²	111.3	76%	0.757	56%	0.555	S	S	*	*			trans	-80.5	57.2	-175.3	-61.5	-175.4	5.7	0	0	111	S459 R463	S459-Q461 PolarHBondContact O-N 2.8Å; Q461-R463 PolarHBondContact O-N 2.64Å
462	E	98.2	Very high	98.1	Very high	52 Å²	52	113.6 Å²	113.6	24%	0.243	56%	0.556	C	S	.	*			trans	-55.7	137.5	176.1	-170.1	-162.8	95	0	0	110.3	R253 N379 Y460 V464	R253-E462 IonicContact CZ-OE2 3.81Å; R253-E462 IonicContact NH1-OE2 3.02Å; R253-E462 PolarHBondContact NH1-OE2 3.42Å; R253-E462 IonicContact NH2-OE2 2.94Å; R253-E462 PolarHBondContact NH2-OE2 3.49Å; N379-E462 PolarHBondContact ND2-OE1 3.22Å; N379-E462 PolarHBondContact ND2-OE2 3.45Å; Y460-E462 HydrophobicContact CD1-CB 4.08Å; Y460-E462 HydrophobicContact CE1-CB 4.41Å; Y460-E462 PolarHBondContact O-N 2.88Å; E462-V464 PolarHBondContact O-N 3.17Å
463	R	98.1	Very high	98.1	Very high	190 Å²	190	112 Å²	112	72%	0.717	55%	0.548	S	S	*	.			trans	-77.2	110.9	175.1	-178.2	58.2	176.7	175	4.7	110.4	Q461 E465	Q461-R463 PolarHBondContact O-N 2.64Å; R463-E465 HydrophobicContact CG-CG 4.14Å; R463-E465 IonicContact CZ-OE1 3.89Å; R463-E465 IonicContact NE-OE1 2.81Å; R463-E465 PolarHBondContact NE-OE1 2.93Å; R463-E465 IonicContact NH2-OE1 3.64Å; R463-E465 PolarHBondContact NH2-OE1 3.06Å
464	V	98.3	Very high	98.2	Very high	115 Å²	115	110.6 Å²	110.6	70%	0.697	55%	0.553	S	S	*	*			trans	-97.6	115.7	173.8	-176.6	0	0	0	0	110.5	E462	E462-V464 PolarHBondContact O-N 3.17Å
465	E	98.2	Very high	98.3	Very high	145 Å²	145	107.2 Å²	107.2	68%	0.678	55%	0.548	S	S	*	.			trans	-129	123.3	172.9	-67.9	-173.6	178.4	0	0	110.3	R463	R463-E465 HydrophobicContact CG-CG 4.14Å; R463-E465 IonicContact CZ-OE1 3.89Å; R463-E465 IonicContact NE-OE1 2.81Å; R463-E465 PolarHBondContact NE-OE1 2.93Å; R463-E465 IonicContact NH2-OE1 3.64Å; R463-E465 PolarHBondContact NH2-OE1 3.06Å
466	G	97.1	Very high	98.4	Very high	74 Å²	74	107 Å²	107	76%	0.763	54%	0.543	S	S	*	.			trans	167.3	172.1	-179.6	0	0	0	0	0	113.4
467	N	98.4	Very high	98.4	Very high	148 Å²	148	108.4 Å²	108.4	79%	0.791	56%	0.558	S	S	*	*			trans	-92.4	158.2	172	-65.4	-64	0	0	0	110.4	V469	N467-V469 HydrophobicContact CB-CG1 3.99Å; N467-V469 PolarHBondContact O-N 2.72Å; N467-V469 VanDerWaalsContact O-N 3.09Å
468	K	98.6	Very high	98.4	Very high	221 Å²	221	106.2 Å²	106.2	96%	0.961	55%	0.549	S	S	*	.			trans	-72.8	101.7	169.7	-63.6	-176.1	-178.6	-176.8	0	109.5
469	V	98.6	Very high	98.4	Very high	97 Å²	97	104.3 Å²	104.3	59%	0.588	54%	0.538	S	S	*	.			trans	-128.6	162.4	-176.6	-63	0	0	0	0	112	N467 E471	N467-V469 HydrophobicContact CB-CG1 3.99Å; N467-V469 PolarHBondContact O-N 2.72Å; N467-V469 VanDerWaalsContact O-N 3.09Å; V469-E471 HydrophobicContact CB-CB 4.23Å; V469-E471 HydrophobicContact CG2-CB 4.02Å
470	R	98.4	Very high	98.4	Very high	257 Å²	257	103.2 Å²	103.2	97%	0.97	52%	0.523	S	S	*	.			trans	-117	81.7	164	-74.2	-176.8	175.2	83.6	0.2	107.2
471	E	98.6	Very high	98.4	Very high	141 Å²	141	101 Å²	101	66%	0.659	52%	0.516	S	S	*	.			trans	-141.3	137.2	-171.5	-171.4	175.4	144.4	0	0	109.1	V469	V469-E471 HydrophobicContact CB-CB 4.23Å; V469-E471 HydrophobicContact CG2-CB 4.02Å
472	R	98.5	Very high	98.5	Very high	71 Å²	71	93.4 Å²	93.4	27%	0.268	48%	0.48	S	S	.	.			trans	-78.3	134	171.6	-173.3	65.1	57.8	71.9	-2.6	108	D185 E223 F476	D185-R472 VanDerWaalsContact CB-NH2 3.3Å; E223-R472 IonicContact OE1-NH1 3.74Å; E223-R472 IonicContact OE2-CZ 2.72Å; E223-R472 IonicContact OE2-NH1 2.79Å; E223-R472 PolarHBondContact OE2-NH1 2.88Å; E223-R472 IonicContact OE2-NH2 3.14Å; R472-F476 HydrophobicContact CG-CB 4.07Å
473	S	98.5	Very high	98.5	Very high	53 Å²	53	91 Å²	91	37%	0.371	47%	0.469	S	S	.	.			trans	-56.6	132.8	174.7	-176.9	0	0	0	0	110.2	S475 F476	S473-S475 WeakPolarHBondContact CB-OG 3.49Å; S473-S475 PolarHBondContact O-N 3.39Å; S473-S475 VanDerWaalsContact O-N 3.14Å; S473-S475 PolarHBondContact OG-N 3.47Å; S473-S475 PolarHBondContact OG-OG 3.06Å; S473-F476 WeakPolarHBondContact O-CB 3.49Å; S473-F476 PolarHBondContact O-N 2.91Å
474	P	98.6	Very high	98.5	Very high	111 Å²	111	84 Å²	84	72%	0.721	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-56.2	-28	174.1	-27.6	35.9	0	0	0	113.6	F476 G477	P474-F476 PolarHBondContact O-N 2.97Å; P474-F476 VanDerWaalsContact O-N 3.16Å; P474-G477 PolarHBondContact O-N 2.92Å
475	S	98.6	Very high	98.6	Very high	53 Å²	53	78.7 Å²	78.7	37%	0.371	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.1	175.8	56.1	0	0	0	0	113.7	D327 S473	D327-S475 WeakPolarHBondContact OD2-CB 3.36Å; D327-S475 PolarHBondContact OD2-OG 3.22Å; S473-S475 WeakPolarHBondContact CB-OG 3.49Å; S473-S475 PolarHBondContact O-N 3.39Å; S473-S475 VanDerWaalsContact O-N 3.14Å; S473-S475 PolarHBondContact OG-N 3.47Å; S473-S475 PolarHBondContact OG-OG 3.06Å
476	F	98.6	Very high	98.6	Very high	9 Å²	9	71.8 Å²	71.8	4%	0.039	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-89.5	-7	178	-74.1	41	0	0	0	111.9	Q184 D327 L329 D330 P381 R472 S473 P474 E478 Y479	Q184-F476 HydrophobicContact CB-CD2 3.92Å; Q184-F476 HydrophobicContact CB-CE2 4.38Å; Q184-F476 HydrophobicContact CG-CD2 3.97Å; Q184-F476 PolarHBondContact NE2-O 3.31Å; D327-F476 HydrophobicContact CB-CD1 3.86Å; D327-F476 HydrophobicContact CB-CE1 3.72Å; D327-F476 VanDerWaalsContact CG-CE1 3.45Å; D327-F476 WeakPolarHBondContact OD2-CE1 3.5Å; L329-F476 HydrophobicContact CB-CE1 4.43Å; L329-F476 HydrophobicContact CB-CZ 4.11Å; L329-F476 WeakPolarHBondContact O-CZ 3.39Å; D330-F476 HydrophobicContact CB-CD1 4.02Å; D330-F476 HydrophobicContact CB-CD2 3.9Å; D330-F476 HydrophobicContact CB-CE1 4Å; D330-F476 HydrophobicContact CB-CE2 3.86Å; D330-F476 HydrophobicContact CB-CG 4Å; D330-F476 HydrophobicContact CB-CZ 3.92Å; P381-F476 HydrophobicContact CG-CE2 3.68Å; P381-F476 HydrophobicContact CG-CZ 4.08Å; R472-F476 HydrophobicContact CG-CB 4.07Å; S473-F476 WeakPolarHBondContact O-CB 3.49Å; S473-F476 PolarHBondContact O-N 2.91Å; P474-F476 PolarHBondContact O-N 2.97Å; P474-F476 VanDerWaalsContact O-N 3.16Å; F476-E478 PolarHBondContact O-N 3.1Å; F476-Y479 WeakPolarHBondContact O-CE1 3.44Å
477	G	98.4	Very high	98.7	Very high	47 Å²	47	68.7 Å²	68.7	49%	0.485	34%	0.344	S	S	.	.			trans	-76.4	31.2	-173.5	0	0	0	0	0	115.7	P474	P474-G477 PolarHBondContact O-N 2.92Å
478	E	98.6	Very high	98.7	Very high	49 Å²	49	64.1 Å²	64.1	23%	0.229	32%	0.319	C	S	.	.			trans	-125.3	130	176.2	-161.8	-63.7	122.9	0	0	108.5	K333 F476 Y480 S481	K333-E478 VanDerWaalsContact CE-O 3.25Å; K333-E478 WeakPolarHBondContact CE-O 3.46Å; K333-E478 PolarHBondContact NZ-O 3.09Å; F476-E478 PolarHBondContact O-N 3.1Å; E478-Y480 PolarHBondContact OE1-N 3.23Å; E478-S481 PolarHBondContact OE1-N 2.97Å; E478-S481 WeakPolarHBondContact OE2-CB 3.45Å; E478-S481 PolarHBondContact OE2-N 3.12Å; E478-S481 PolarHBondContact OE2-OG 2.73Å
479	Y	98.8	Very high	98.7	Very high	67 Å²	67	54 Å²	54	26%	0.263	28%	0.276	S	S	.	.			trans	-129.2	-8.6	-166.8	-48.6	-50.6	0	0	0	115.1	P222 E223 F476 P483	P222-Y479 HydrophobicContact CB-CD2 3.88Å; P222-Y479 HydrophobicContact CB-CG 3.99Å; P222-Y479 HydrophobicContact CG-CD2 3.52Å; P222-Y479 HydrophobicContact CG-CE2 3.89Å; P222-Y479 HydrophobicContact CG-CG 4.02Å; E223-Y479 HydrophobicContact CB-CD1 4.05Å; E223-Y479 HydrophobicContact CB-CE1 4.12Å; F476-Y479 WeakPolarHBondContact O-CE1 3.44Å; Y479-P483 WeakPolarHBondContact O-CG 3.28Å
480	Y	98.9	Very high	98.7	Very high	47 Å²	47	49.9 Å²	49.9	18%	0.184	25%	0.251	C	S	.	.	S	Bend	trans	-123.2	-27.2	-162.9	-54	-68	0	0	0	113.5	P222 L225 E478 P483 R484 Q521 H524 I525	P222-Y480 HydrophobicContact CB-CE1 4.25Å; L225-Y480 HydrophobicContact CD1-CD1 3.98Å; L225-Y480 HydrophobicContact CD1-CE1 3.61Å; E478-Y480 PolarHBondContact OE1-N 3.23Å; Y480-P483 WeakPolarHBondContact O-CD 3.13Å; Y480-R484 WeakPolarHBondContact O-CB 3.36Å; Y480-R484 PolarHBondContact O-N 3.32Å; Y480-Q521 PolarHBondContact OH-OE1 2.91Å; Y480-H524 HydrophobicContact CD1-CB 3.62Å; Y480-H524 HydrophobicContact CD2-CB 4.34Å; Y480-H524 HydrophobicContact CE1-CB 3.54Å; Y480-H524 HydrophobicContact CE2-CB 4.28Å; Y480-H524 HydrophobicContact CG-CB 4.02Å; Y480-I525 HydrophobicContact CD1-CG1 3.99Å
481	S	98.9	Very high	98.8	Very high	12 Å²	12	38.8 Å²	38.8	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-45.7	-177.6	73.2	0	0	0	0	112.3	E478 R484 L485 P552	E478-S481 PolarHBondContact OE1-N 2.97Å; E478-S481 WeakPolarHBondContact OE2-CB 3.45Å; E478-S481 PolarHBondContact OE2-N 3.12Å; E478-S481 PolarHBondContact OE2-OG 2.73Å; S481-R484 WeakPolarHBondContact O-CB 3.32Å; S481-R484 PolarHBondContact O-N 3Å; S481-L485 WeakPolarHBondContact O-CB 3.28Å; S481-L485 PolarHBondContact O-N 2.96Å; S481-P552 WeakPolarHBondContact CB-O 3.3Å
482	H	98.9	Very high	98.8	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-69.7	-42.5	177.7	-79.3	-109.6	0	0	0	113.8	H226 F326 K333 L334 R484 L485 F486	H226-H482 AromaticContact CE1-ND1 3.92Å; H226-H482 WeakPolarHBondContact ND1-CB 3.46Å; F326-H482 AromaticContact CD1-CE1 3.82Å; F326-H482 AromaticContact CD1-NE2 3.45Å; F326-H482 WeakPolarHBondContact CD1-NE2 3.32Å; F326-H482 AromaticContact CG-NE2 3.64Å; K333-H482 WeakPolarHBondContact CD-CD2 3.31Å; L334-H482 PolarHBondContact O-CE1 3.37Å; H482-R484 PolarHBondContact O-N 3.45Å; H482-L485 PolarHBondContact O-N 2.81Å; H482-F486 PolarHBondContact O-N 3.3Å
483	P	98.9	Very high	98.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-53.2	-41.6	167.2	-25.2	28.7	0	0	0	113.2	L225 H226 M229 Y479 Y480 F486 W487 I525	L225-P483 HydrophobicContact CB-CG 4.23Å; H226-P483 HydrophobicContact CB-CG 3.91Å; M229-P483 HydrophobicContact CG-CB 3.96Å; Y479-P483 WeakPolarHBondContact O-CG 3.28Å; Y480-P483 WeakPolarHBondContact O-CD 3.13Å; P483-F486 PolarHBondContact O-N 2.8Å; P483-W487 WeakPolarHBondContact O-CB 3.39Å; P483-W487 PolarHBondContact O-N 2.97Å; P483-I525 HydrophobicContact CB-CB 4.5Å; P483-I525 HydrophobicContact CB-CD1 3.68Å; P483-I525 HydrophobicContact CB-CG1 3.9Å; P483-I525 HydrophobicContact CB-CG2 3.78Å; P483-I525 HydrophobicContact CG-CD1 4.32Å
484	R	98.9	Very high	98.8	Very high	43 Å²	43	33 Å²	33	16%	0.162	19%	0.19	C	C	.	.	H	α-helix	trans	-67.8	-45	178	-179.4	174.2	-174.7	69.5	7.7	111.8	Y480 S481 H482 F486 W487 L488 I525 D526 P551	Y480-R484 WeakPolarHBondContact O-CB 3.36Å; Y480-R484 PolarHBondContact O-N 3.32Å; S481-R484 WeakPolarHBondContact O-CB 3.32Å; S481-R484 PolarHBondContact O-N 3Å; H482-R484 PolarHBondContact O-N 3.45Å; R484-F486 VanDerWaalsContact C-N 3.29Å; R484-F486 PolarHBondContact O-N 3.14Å; R484-W487 PolarHBondContact O-N 3.43Å; R484-L488 HydrophobicContact CG-CD1 3.89Å; R484-L488 HydrophobicContact CG-CG 4.24Å; R484-L488 WeakPolarHBondContact O-CB 3.14Å; R484-L488 WeakPolarHBondContact O-CG 3.5Å; R484-L488 PolarHBondContact O-N 3.44Å; R484-I525 HydrophobicContact CB-CG2 4.11Å; R484-I525 WeakPolarHBondContact CD-O 3.34Å; R484-I525 PolarHBondContact NH1-O 3.28Å; R484-D526 IonicContact CZ-OD2 3.61Å; R484-D526 IonicContact NH1-OD2 2.73Å; R484-D526 PolarHBondContact NH1-OD2 3.41Å; R484-D526 IonicContact NH2-OD2 3.63Å; R484-P551 HydrophobicContact CB-CG 3.91Å; R484-P551 HydrophobicContact CG-CG 4.38Å
485	L	98.9	Very high	98.8	Very high	4 Å²	4	30 Å²	30	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-55	-48	174.1	176.3	68.4	0	0	0	110.3	L334 P336 S481 H482 S489 V554 L557 L563	L334-L485 HydrophobicContact CD1-CD2 4.39Å; P336-L485 HydrophobicContact CG-CD2 3.94Å; S481-L485 WeakPolarHBondContact O-CB 3.28Å; S481-L485 PolarHBondContact O-N 2.96Å; H482-L485 PolarHBondContact O-N 2.81Å; L485-S489 WeakPolarHBondContact O-CB 3.35Å; L485-S489 PolarHBondContact O-N 3.21Å; L485-S489 VanDerWaalsContact O-N 3.15Å; L485-S489 PolarHBondContact O-OG 3.03Å; L485-V554 HydrophobicContact CB-CG2 4.25Å; L485-V554 HydrophobicContact CD2-CB 4.16Å; L485-V554 HydrophobicContact CD2-CG2 4.08Å; L485-L557 HydrophobicContact CD1-CB 4.13Å; L485-L563 HydrophobicContact CD2-CD1 4.22Å; L485-L563 HydrophobicContact CG-CD1 4.03Å
486	F	98.9	Very high	98.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-52.3	176.4	179.4	-100.4	0	0	0	111	M229 W230 H482 P483 R484 L488 S489 Q490 I498 L563	M229-F486 HydrophobicContact CB-CD1 3.83Å; M229-F486 HydrophobicContact CB-CE1 4.21Å; M229-F486 HydrophobicContact CE-CD1 4.34Å; W230-F486 AromaticContact CD1-CD2 3.89Å; W230-F486 AromaticContact CD2-CD2 3.98Å; W230-F486 HydrophobicContact CD2-CD2 3.98Å; W230-F486 AromaticContact CD2-CE2 3.56Å; W230-F486 HydrophobicContact CD2-CE2 3.56Å; W230-F486 HydrophobicContact CD2-CZ 4.08Å; W230-F486 AromaticContact CE2-CD2 3.34Å; W230-F486 AromaticContact CE2-CE2 3.41Å; W230-F486 VanDerWaalsContact CE2-CE2 3.41Å; W230-F486 AromaticContact CE3-CE2 3.96Å; W230-F486 HydrophobicContact CE3-CE2 3.96Å; W230-F486 HydrophobicContact CE3-CZ 4.48Å; W230-F486 HydrophobicContact CG-CD2 4.33Å; W230-F486 HydrophobicContact CG-CE2 4.01Å; W230-F486 HydrophobicContact CG-CZ 4.13Å; W230-F486 HydrophobicContact CH2-CD2 4.33Å; W230-F486 HydrophobicContact CH2-CE2 4.06Å; W230-F486 AromaticContact CZ2-CD2 3.56Å; W230-F486 HydrophobicContact CZ2-CD2 3.56Å; W230-F486 AromaticContact CZ2-CE2 3.68Å; W230-F486 HydrophobicContact CZ2-CE2 3.68Å; W230-F486 HydrophobicContact CZ3-CE2 4.2Å; W230-F486 AromaticContact NE1-CD2 3.33Å; W230-F486 VanDerWaalsContact NE1-CD2 3.33Å; W230-F486 AromaticContact NE1-CE2 3.74Å; W230-F486 AromaticContact NE1-CG 3.73Å; H482-F486 PolarHBondContact O-N 3.3Å; P483-F486 PolarHBondContact O-N 2.8Å; R484-F486 VanDerWaalsContact C-N 3.29Å; R484-F486 PolarHBondContact O-N 3.14Å; F486-L488 PolarHBondContact O-N 2.85Å; F486-S489 WeakPolarHBondContact O-CB 3.23Å; F486-S489 PolarHBondContact O-N 3.45Å; F486-S489 VanDerWaalsContact O-N 3.08Å; F486-Q490 HydrophobicContact CE1-CG 4.26Å; F486-Q490 VanDerWaalsContact CE2-NE2 3.33Å; F486-Q490 HydrophobicContact CZ-CG 4.48Å; F486-Q490 VanDerWaalsContact O-CG 3.29Å; F486-Q490 WeakPolarHBondContact O-CG 3.49Å; F486-Q490 PolarHBondContact O-N 3Å; F486-Q490 PolarHBondContact O-NE2 2.97Å; F486-I498 HydrophobicContact CE1-CD1 3.82Å; F486-L563 HydrophobicContact CD2-CB 4.1Å
487	W	98.9	Very high	98.8	Very high	9 Å²	9	33.3 Å²	33.3	3%	0.034	17%	0.171	C	C	.	.	H	α-helix	trans	-53.8	-47.9	179.1	171.6	-110.9	0	0	0	113.6	M229 P483 R484 S489 Q490 Q495 I498 V499 D526 L529	M229-W487 HydrophobicContact CE-CB 3.8Å; M229-W487 HydrophobicContact CE-CD2 4.49Å; M229-W487 HydrophobicContact CE-CE3 4Å; M229-W487 HydrophobicContact CE-CG 4.46Å; P483-W487 WeakPolarHBondContact O-CB 3.39Å; P483-W487 PolarHBondContact O-N 2.97Å; R484-W487 PolarHBondContact O-N 3.43Å; W487-S489 PolarHBondContact O-N 3.02Å; W487-Q490 WeakPolarHBondContact O-CB 3.48Å; W487-Q490 PolarHBondContact O-N 3.01Å; W487-Q495 HydrophobicContact CD2-CG 4.18Å; W487-Q495 HydrophobicContact CE3-CB 4.32Å; W487-Q495 HydrophobicContact CE3-CG 3.94Å; W487-Q495 HydrophobicContact CH2-CB 3.47Å; W487-Q495 VanDerWaalsContact CH2-CB 3.47Å; W487-Q495 HydrophobicContact CH2-CG 3.79Å; W487-Q495 HydrophobicContact CZ2-CB 4.06Å; W487-Q495 HydrophobicContact CZ2-CG 4.01Å; W487-Q495 HydrophobicContact CZ3-CB 3.61Å; W487-Q495 HydrophobicContact CZ3-CG 3.75Å; W487-Q495 WeakPolarHBondContact CZ3-O 3.47Å; W487-Q495 PolarHBondContact O-NE2 3.24Å; W487-I498 HydrophobicContact CE3-CD1 4.19Å; W487-I498 HydrophobicContact CE3-CG2 4.28Å; W487-I498 HydrophobicContact CZ3-CB 4.09Å; W487-I498 HydrophobicContact CZ3-CD1 4.4Å; W487-I498 HydrophobicContact CZ3-CG2 4.04Å; W487-V499 HydrophobicContact CH2-CG2 3.89Å; W487-V499 HydrophobicContact CZ3-CG2 4.32Å; W487-D526 HydrophobicContact CG-CB 4.39Å; W487-D526 PolarHBondContact NE1-OD1 3.02Å; W487-D526 VanDerWaalsContact NE1-OD1 3.08Å; W487-L529 HydrophobicContact CD2-CB 4.29Å; W487-L529 HydrophobicContact CD2-CD2 4.46Å; W487-L529 HydrophobicContact CE3-CB 4.47Å; W487-L529 HydrophobicContact CE3-CD1 4.29Å; W487-L529 HydrophobicContact CE3-CD2 4.32Å; W487-L529 HydrophobicContact CH2-CB 4.03Å; W487-L529 HydrophobicContact CH2-CD1 4.03Å; W487-L529 HydrophobicContact CZ2-CB 3.84Å; W487-L529 HydrophobicContact CZ3-CB 4.33Å; W487-L529 HydrophobicContact CZ3-CD1 3.81Å; W487-L529 HydrophobicContact CZ3-CG 4.48Å
488	L	98.9	Very high	98.8	Very high	53 Å²	53	31 Å²	31	28%	0.277	15%	0.148	S	C	.	.	H	α-helix	trans	-73	-14.7	-178.4	-66.3	-179.9	0	0	0	113.4	R484 F486 K558	R484-L488 HydrophobicContact CG-CD1 3.89Å; R484-L488 HydrophobicContact CG-CG 4.24Å; R484-L488 WeakPolarHBondContact O-CB 3.14Å; R484-L488 WeakPolarHBondContact O-CG 3.5Å; R484-L488 PolarHBondContact O-N 3.44Å; F486-L488 PolarHBondContact O-N 2.85Å; L488-K558 VanDerWaalsContact CB-O 3.26Å; L488-K558 WeakPolarHBondContact CB-O 3.16Å; L488-K558 WeakPolarHBondContact CD1-O 3.47Å
489	S	98.9	Very high	98.9	Very high	8 Å²	8	29.3 Å²	29.3	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-84	-16.4	175.3	-56.9	0	0	0	0	113.4	L485 F486 W487 K559 D560 S564	L485-S489 WeakPolarHBondContact O-CB 3.35Å; L485-S489 PolarHBondContact O-N 3.21Å; L485-S489 VanDerWaalsContact O-N 3.15Å; L485-S489 PolarHBondContact O-OG 3.03Å; F486-S489 WeakPolarHBondContact O-CB 3.23Å; F486-S489 PolarHBondContact O-N 3.45Å; F486-S489 VanDerWaalsContact O-N 3.08Å; W487-S489 PolarHBondContact O-N 3.02Å; S489-K559 WeakPolarHBondContact OG-CA 3.25Å; S489-D560 VanDerWaalsContact CB-O 3.22Å; S489-D560 WeakPolarHBondContact CB-O 3.33Å; S489-D560 PolarHBondContact OG-N 2.84Å; S489-D560 PolarHBondContact OG-O 3.06Å; S489-S564 WeakPolarHBondContact O-CB 3.33Å
490	Q	98.9	Very high	98.9	Very high	11 Å²	11	29 Å²	29	5%	0.051	14%	0.144	C	C	.	.	S	Bend	trans	-78.3	148	-177.9	-55.2	-42.8	-66.1	0	0	111.8	F486 W487 E494 Q495 I498	F486-Q490 HydrophobicContact CE1-CG 4.26Å; F486-Q490 VanDerWaalsContact CE2-NE2 3.33Å; F486-Q490 HydrophobicContact CZ-CG 4.48Å; F486-Q490 VanDerWaalsContact O-CG 3.29Å; F486-Q490 WeakPolarHBondContact O-CG 3.49Å; F486-Q490 PolarHBondContact O-N 3Å; F486-Q490 PolarHBondContact O-NE2 2.97Å; W487-Q490 WeakPolarHBondContact O-CB 3.48Å; W487-Q490 PolarHBondContact O-N 3.01Å; Q490-E494 HydrophobicContact CB-CB 3.82Å; Q490-E494 HydrophobicContact CG-CB 4.44Å; Q490-Q495 HydrophobicContact CB-CG 3.76Å; Q490-I498 HydrophobicContact CG-CD1 3.75Å
491	T	98.8	Very high	98.9	Very high	24 Å²	24	26.8 Å²	26.8	15%	0.147	14%	0.136	C	C	.	.			trans	-66.5	161.4	167.6	62.4	0	0	0	0	111.1	F493 E494 Q495 A567	T491-F493 HydrophobicContact CG2-CE1 4.06Å; T491-F493 HydrophobicContact CG2-CZ 4.26Å; T491-F493 PolarHBondContact O-N 3.42Å; T491-F493 VanDerWaalsContact O-N 3.16Å; T491-F493 WeakPolarHBondContact OG1-CD1 3.34Å; T491-F493 WeakPolarHBondContact OG1-CE1 3.28Å; T491-F493 VanDerWaalsContact OG1-CZ 3.23Å; T491-F493 WeakPolarHBondContact OG1-CZ 3.32Å; T491-E494 WeakPolarHBondContact CB-OE2 3.45Å; T491-E494 VanDerWaalsContact CG2-OE2 3.3Å; T491-E494 WeakPolarHBondContact CG2-OE2 2.96Å; T491-E494 PolarHBondContact N-OE2 2.67Å; T491-E494 PolarHBondContact O-N 3.46Å; T491-E494 VanDerWaalsContact O-N 3.14Å; T491-E494 VanDerWaalsContact OG1-CG 3.31Å; T491-E494 WeakPolarHBondContact OG1-CG 2.89Å; T491-E494 PolarHBondContact OG1-N 3.24Å; T491-E494 PolarHBondContact OG1-OE2 2.86Å; T491-Q495 WeakPolarHBondContact O-CG 3.28Å; T491-Q495 PolarHBondContact O-N 3.37Å; T491-A567 HydrophobicContact CG2-CB 4.14Å
492	P	98.7	Very high	98.9	Very high	106 Å²	106	26.3 Å²	26.3	69%	0.688	13%	0.132	S	C	*	.	H	α-helix	trans	-57.6	-31.9	-179.4	-28.2	36.2	0	0	0	115	R496	P492-R496 PolarHBondContact O-N 2.83Å; P492-R496 VanDerWaalsContact O-N 3.11Å
493	F	98.7	Very high	98.9	Very high	34 Å²	34	26.8 Å²	26.8	15%	0.149	14%	0.136	C	C	.	.	H	α-helix	trans	-79.1	-36.2	177.5	62.3	-95.8	0	0	0	112.3	T491 Q495 R496 H497 Y566 W717 I720	T491-F493 HydrophobicContact CG2-CE1 4.06Å; T491-F493 HydrophobicContact CG2-CZ 4.26Å; T491-F493 PolarHBondContact O-N 3.42Å; T491-F493 VanDerWaalsContact O-N 3.16Å; T491-F493 WeakPolarHBondContact OG1-CD1 3.34Å; T491-F493 WeakPolarHBondContact OG1-CE1 3.28Å; T491-F493 VanDerWaalsContact OG1-CZ 3.23Å; T491-F493 WeakPolarHBondContact OG1-CZ 3.32Å; F493-Q495 VanDerWaalsContact C-N 3.3Å; F493-Q495 PolarHBondContact O-N 2.87Å; F493-R496 WeakPolarHBondContact O-CB 3.09Å; F493-R496 PolarHBondContact O-N 3.03Å; F493-H497 PolarHBondContact O-N 3.15Å; F493-Y566 AromaticContact CE2-CD2 3.5Å; F493-Y566 HydrophobicContact CE2-CD2 3.5Å; F493-Y566 VanDerWaalsContact CE2-CD2 3.5Å; F493-Y566 HydrophobicContact CE2-CE2 4.17Å; F493-Y566 HydrophobicContact CE2-CG 4.17Å; F493-Y566 AromaticContact CZ-CD2 3.93Å; F493-Y566 HydrophobicContact CZ-CD2 3.93Å; F493-Y566 HydrophobicContact CZ-CG 4.16Å; F493-W717 HydrophobicContact CD1-CB 3.9Å; F493-W717 HydrophobicContact CD1-CG 4.06Å; F493-W717 AromaticContact CD2-CD2 3.85Å; F493-W717 HydrophobicContact CD2-CD2 3.85Å; F493-W717 AromaticContact CD2-CE3 3.72Å; F493-W717 HydrophobicContact CD2-CE3 3.72Å; F493-W717 HydrophobicContact CD2-CG 4.24Å; F493-W717 HydrophobicContact CD2-CZ3 4.18Å; F493-W717 HydrophobicContact CE1-CB 4.02Å; F493-W717 AromaticContact CE1-CD1 3.84Å; F493-W717 HydrophobicContact CE1-CD2 4.23Å; F493-W717 AromaticContact CE1-CG 3.75Å; F493-W717 HydrophobicContact CE1-CG 3.75Å; F493-W717 AromaticContact CE2-CD2 3.49Å; F493-W717 HydrophobicContact CE2-CD2 3.49Å; F493-W717 VanDerWaalsContact CE2-CD2 3.49Å; F493-W717 AromaticContact CE2-CE2 3.63Å; F493-W717 AromaticContact CE2-CE3 3.74Å; F493-W717 HydrophobicContact CE2-CE3 3.74Å; F493-W717 AromaticContact CE2-CG 3.93Å; F493-W717 HydrophobicContact CE2-CG 3.93Å; F493-W717 HydrophobicContact CE2-CH2 4.18Å; F493-W717 AromaticContact CE2-CZ2 3.98Å; F493-W717 HydrophobicContact CE2-CZ2 3.98Å; F493-W717 HydrophobicContact CE2-CZ3 4.08Å; F493-W717 HydrophobicContact CG-CB 4.2Å; F493-W717 HydrophobicContact CG-CD2 4.34Å; F493-W717 HydrophobicContact CG-CE3 4.36Å; F493-W717 HydrophobicContact CG-CG 4.29Å; F493-W717 HydrophobicContact CZ-CB 4.41Å; F493-W717 AromaticContact CZ-CD1 3.67Å; F493-W717 AromaticContact CZ-CD2 3.72Å; F493-W717 HydrophobicContact CZ-CD2 3.72Å; F493-W717 AromaticContact CZ-CE2 3.72Å; F493-W717 HydrophobicContact CZ-CE3 4.41Å; F493-W717 AromaticContact CZ-CG 3.69Å; F493-W717 HydrophobicContact CZ-CG 3.69Å; F493-W717 HydrophobicContact CZ-CZ2 4.38Å; F493-W717 AromaticContact CZ-NE1 3.7Å; F493-I720 HydrophobicContact CB-CD1 3.52Å; F493-I720 HydrophobicContact CG-CD1 4.44Å
494	E	98.9	Very high	98.9	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-40.6	170.7	-74.8	169.4	126.3	0	0	110.9	Q490 T491 R496 H497 I498 S564 L565 Y566	Q490-E494 HydrophobicContact CB-CB 3.82Å; Q490-E494 HydrophobicContact CG-CB 4.44Å; T491-E494 WeakPolarHBondContact CB-OE2 3.45Å; T491-E494 VanDerWaalsContact CG2-OE2 3.3Å; T491-E494 WeakPolarHBondContact CG2-OE2 2.96Å; T491-E494 PolarHBondContact N-OE2 2.67Å; T491-E494 PolarHBondContact O-N 3.46Å; T491-E494 VanDerWaalsContact O-N 3.14Å; T491-E494 VanDerWaalsContact OG1-CG 3.31Å; T491-E494 WeakPolarHBondContact OG1-CG 2.89Å; T491-E494 PolarHBondContact OG1-N 3.24Å; T491-E494 PolarHBondContact OG1-OE2 2.86Å; E494-R496 VanDerWaalsContact C-N 3.34Å; E494-R496 PolarHBondContact O-N 3.47Å; E494-H497 PolarHBondContact O-N 3.25Å; E494-I498 WeakPolarHBondContact O-CG1 3.43Å; E494-I498 PolarHBondContact O-N 3.49Å; E494-S564 VanDerWaalsContact CD-OG 3.25Å; E494-S564 PolarHBondContact OE1-OG 2.89Å; E494-S564 VanDerWaalsContact OE1-OG 3.04Å; E494-S564 PolarHBondContact OE2-OG 3.1Å; E494-L565 WeakPolarHBondContact OE1-CB 3.38Å; E494-L565 PolarHBondContact OE1-N 3.48Å; E494-Y566 HydrophobicContact CG-CD2 3.85Å; E494-Y566 HydrophobicContact CG-CE2 4.36Å; E494-Y566 WeakPolarHBondContact OE1-CD2 3.35Å; E494-Y566 PolarHBondContact OE1-N 2.67Å
495	Q	98.9	Very high	98.9	Very high	47 Å²	47	26.7 Å²	26.7	22%	0.22	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-44.4	172.4	-74.3	-176.3	-14.9	0	0	111.9	W487 Q490 T491 F493 I498 V499	W487-Q495 HydrophobicContact CD2-CG 4.18Å; W487-Q495 HydrophobicContact CE3-CB 4.32Å; W487-Q495 HydrophobicContact CE3-CG 3.94Å; W487-Q495 HydrophobicContact CH2-CB 3.47Å; W487-Q495 VanDerWaalsContact CH2-CB 3.47Å; W487-Q495 HydrophobicContact CH2-CG 3.79Å; W487-Q495 HydrophobicContact CZ2-CB 4.06Å; W487-Q495 HydrophobicContact CZ2-CG 4.01Å; W487-Q495 HydrophobicContact CZ3-CB 3.61Å; W487-Q495 HydrophobicContact CZ3-CG 3.75Å; W487-Q495 WeakPolarHBondContact CZ3-O 3.47Å; W487-Q495 PolarHBondContact O-NE2 3.24Å; Q490-Q495 HydrophobicContact CB-CG 3.76Å; T491-Q495 WeakPolarHBondContact O-CG 3.28Å; T491-Q495 PolarHBondContact O-N 3.37Å; F493-Q495 VanDerWaalsContact C-N 3.3Å; F493-Q495 PolarHBondContact O-N 2.87Å; Q495-I498 PolarHBondContact O-N 2.84Å; Q495-V499 WeakPolarHBondContact O-CG2 3.43Å; Q495-V499 PolarHBondContact O-N 3.02Å
496	R	98.7	Very high	98.9	Very high	107 Å²	107	26.5 Å²	26.5	40%	0.404	14%	0.135	S	C	.	.	H	α-helix	trans	-59.7	-46.1	174	177.8	174.4	-127.1	-107.3	9.9	111.7	P492 F493 E494 I498 V499 D500 D724	P492-R496 PolarHBondContact O-N 2.83Å; P492-R496 VanDerWaalsContact O-N 3.11Å; F493-R496 WeakPolarHBondContact O-CB 3.09Å; F493-R496 PolarHBondContact O-N 3.03Å; E494-R496 VanDerWaalsContact C-N 3.34Å; E494-R496 PolarHBondContact O-N 3.47Å; R496-I498 VanDerWaalsContact C-N 3.31Å; R496-I498 PolarHBondContact O-N 3.15Å; R496-V499 WeakPolarHBondContact O-CB 3.35Å; R496-V499 PolarHBondContact O-N 2.82Å; R496-D500 WeakPolarHBondContact CG-OD2 3.25Å; R496-D500 IonicContact NH1-OD2 3.88Å; R496-D500 WeakPolarHBondContact O-CB 3.43Å; R496-D500 VanDerWaalsContact O-CG 3.23Å; R496-D500 PolarHBondContact O-N 3.07Å; R496-D724 IonicContact NH2-OD2 3.91Å
497	H	98.8	Very high	98.9	Very high	24 Å²	24	29.1 Å²	29.1	11%	0.111	15%	0.154	C	C	.	.	H	α-helix	trans	-65.8	-32.8	180	-66.1	175.5	0	0	0	112.9	D234 F493 E494 D500 G501	D234-H497 WeakPolarHBondContact OD1-CB 3.42Å; D234-H497 IonicContact OD1-CG 3.33Å; D234-H497 IonicContact OD1-ND1 2.76Å; D234-H497 PolarHBondContact OD1-ND1 3.02Å; D234-H497 IonicContact OD2-CE1 2.72Å; D234-H497 IonicContact OD2-CG 2.92Å; D234-H497 IonicContact OD2-ND1 3.78Å; D234-H497 PolarHBondContact OD2-ND1 2.87Å; F493-H497 PolarHBondContact O-N 3.15Å; E494-H497 PolarHBondContact O-N 3.25Å; H497-D500 PolarHBondContact O-N 3.27Å; H497-G501 PolarHBondContact O-N 2.8Å
498	I	98.9	Very high	98.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-49.4	170.6	-70.4	164.2	0	0	0	110.6	M229 M232 F486 W487 Q490 E494 Q495 R496 D500 G501 F502 L529	M229-I498 HydrophobicContact CE-CG2 4.08Å; M229-I498 HydrophobicContact SD-CG2 4.37Å; M232-I498 HydrophobicContact CB-CG2 4.49Å; F486-I498 HydrophobicContact CE1-CD1 3.82Å; W487-I498 HydrophobicContact CE3-CD1 4.19Å; W487-I498 HydrophobicContact CE3-CG2 4.28Å; W487-I498 HydrophobicContact CZ3-CB 4.09Å; W487-I498 HydrophobicContact CZ3-CD1 4.4Å; W487-I498 HydrophobicContact CZ3-CG2 4.04Å; Q490-I498 HydrophobicContact CG-CD1 3.75Å; E494-I498 WeakPolarHBondContact O-CG1 3.43Å; E494-I498 PolarHBondContact O-N 3.49Å; Q495-I498 PolarHBondContact O-N 2.84Å; R496-I498 VanDerWaalsContact C-N 3.31Å; R496-I498 PolarHBondContact O-N 3.15Å; I498-D500 VanDerWaalsContact C-N 3.3Å; I498-D500 PolarHBondContact O-N 2.98Å; I498-G501 PolarHBondContact O-N 2.79Å; I498-F502 HydrophobicContact CG2-CD2 3.85Å; I498-F502 HydrophobicContact CG2-CE2 3.76Å; I498-F502 WeakPolarHBondContact O-CD2 3.39Å; I498-F502 PolarHBondContact O-N 3.43Å; I498-L529 HydrophobicContact CG2-CD1 4.17Å
499	V	98.9	Very high	98.9	Very high	12 Å²	12	30.4 Å²	30.4	7%	0.073	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-47.5	176.2	167.7	0	0	0	0	110.5	W487 Q495 R496 G501 F502 S503 L529 A532 V533	W487-V499 HydrophobicContact CH2-CG2 3.89Å; W487-V499 HydrophobicContact CZ3-CG2 4.32Å; Q495-V499 WeakPolarHBondContact O-CG2 3.43Å; Q495-V499 PolarHBondContact O-N 3.02Å; R496-V499 WeakPolarHBondContact O-CB 3.35Å; R496-V499 PolarHBondContact O-N 2.82Å; V499-G501 VanDerWaalsContact C-N 3.32Å; V499-G501 PolarHBondContact O-N 2.9Å; V499-F502 PolarHBondContact O-N 3.29Å; V499-S503 VanDerWaalsContact O-CB 3.27Å; V499-S503 WeakPolarHBondContact O-CB 2.96Å; V499-S503 PolarHBondContact O-N 3.45Å; V499-S503 PolarHBondContact O-OG 3.39Å; V499-L529 HydrophobicContact CG2-CD1 3.78Å; V499-A532 HydrophobicContact CB-CB 4.49Å; V499-A532 HydrophobicContact CG1-CB 3.71Å; V499-A532 HydrophobicContact CG2-CB 3.89Å; V499-V533 HydrophobicContact CB-CG2 4.4Å; V499-V533 HydrophobicContact CG1-CG2 4.07Å; V499-V533 HydrophobicContact CG2-CG2 4.46Å
500	D	98.8	Very high	98.9	Very high	60 Å²	60	35.1 Å²	35.1	32%	0.321	19%	0.186	S	C	.	.	H	α-helix	trans	-66	-35.7	-179.3	-66.9	-17.4	0	0	0	111.3	R496 H497 I498 S503 F504	R496-D500 WeakPolarHBondContact CG-OD2 3.25Å; R496-D500 IonicContact NH1-OD2 3.88Å; R496-D500 WeakPolarHBondContact O-CB 3.43Å; R496-D500 VanDerWaalsContact O-CG 3.23Å; R496-D500 PolarHBondContact O-N 3.07Å; H497-D500 PolarHBondContact O-N 3.27Å; I498-D500 VanDerWaalsContact C-N 3.3Å; I498-D500 PolarHBondContact O-N 2.98Å; D500-S503 PolarHBondContact O-N 3.01Å; D500-F504 VanDerWaalsContact O-CB 3.29Å; D500-F504 WeakPolarHBondContact O-CB 3.49Å; D500-F504 PolarHBondContact O-N 3.17Å
501	G	98.8	Very high	98.8	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-56.9	173	0	0	0	0	0	112.3	H497 I498 V499 S503 F504 E505	H497-G501 PolarHBondContact O-N 2.8Å; I498-G501 PolarHBondContact O-N 2.79Å; V499-G501 VanDerWaalsContact C-N 3.32Å; V499-G501 PolarHBondContact O-N 2.9Å; G501-S503 VanDerWaalsContact C-N 3.32Å; G501-S503 PolarHBondContact O-N 3.43Å; G501-F504 PolarHBondContact O-N 2.99Å; G501-E505 WeakPolarHBondContact O-CB 3.21Å; G501-E505 VanDerWaalsContact O-CG 3.26Å; G501-E505 WeakPolarHBondContact O-CG 3.4Å; G501-E505 PolarHBondContact O-N 3.03Å
502	F	98.9	Very high	98.8	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-57.2	-45.8	174.9	-82.5	-74.8	0	0	0	111.8	W215 V228 M229 M232 I498 V499 F504 E505 L506 L522 L529 V533	W215-F502 AromaticContact CH2-CD1 3.6Å; W215-F502 HydrophobicContact CH2-CD1 3.6Å; W215-F502 AromaticContact CH2-CE1 3.63Å; W215-F502 HydrophobicContact CH2-CE1 3.63Å; W215-F502 AromaticContact CZ3-CD1 3.93Å; W215-F502 HydrophobicContact CZ3-CD1 3.93Å; W215-F502 AromaticContact CZ3-CE1 3.74Å; W215-F502 HydrophobicContact CZ3-CE1 3.74Å; V228-F502 HydrophobicContact CG1-CE1 3.57Å; V228-F502 HydrophobicContact CG1-CZ 3.71Å; M229-F502 HydrophobicContact SD-CE2 3.58Å; M229-F502 VanDerWaalsContact SD-CE2 3.58Å; M229-F502 HydrophobicContact SD-CZ 3.8Å; M232-F502 HydrophobicContact CB-CD2 3.83Å; M232-F502 HydrophobicContact CB-CE2 3.69Å; M232-F502 HydrophobicContact CB-CG 4.35Å; M232-F502 HydrophobicContact CB-CZ 4.14Å; M232-F502 HydrophobicContact CG-CD1 3.86Å; M232-F502 HydrophobicContact CG-CD2 3.82Å; M232-F502 HydrophobicContact CG-CE1 3.75Å; M232-F502 HydrophobicContact CG-CE2 3.7Å; M232-F502 HydrophobicContact CG-CG 3.9Å; M232-F502 HydrophobicContact CG-CZ 3.67Å; M232-F502 HydrophobicContact SD-CD1 4.4Å; M232-F502 HydrophobicContact SD-CG 4.45Å; I498-F502 HydrophobicContact CG2-CD2 3.85Å; I498-F502 HydrophobicContact CG2-CE2 3.76Å; I498-F502 WeakPolarHBondContact O-CD2 3.39Å; I498-F502 PolarHBondContact O-N 3.43Å; V499-F502 PolarHBondContact O-N 3.29Å; F502-F504 PolarHBondContact O-N 2.94Å; F502-E505 PolarHBondContact O-N 3.13Å; F502-L506 VanDerWaalsContact O-CB 3.27Å; F502-L506 WeakPolarHBondContact O-CB 3.4Å; F502-L506 VanDerWaalsContact O-CG 3.29Å; F502-L506 WeakPolarHBondContact O-CG 3.38Å; F502-L506 PolarHBondContact O-N 2.94Å; F502-L522 HydrophobicContact CD1-CD1 4.3Å; F502-L522 HydrophobicContact CE1-CD2 3.96Å; F502-L522 HydrophobicContact CE2-CD2 4.26Å; F502-L522 HydrophobicContact CG-CD1 4.31Å; F502-L522 HydrophobicContact CZ-CD2 3.8Å; F502-L529 HydrophobicContact CD2-CD1 4.42Å; F502-V533 HydrophobicContact CB-CG1 4.09Å; F502-V533 HydrophobicContact CB-CG2 3.83Å
503	S	98.9	Very high	98.9	Very high	12 Å²	12	42.1 Å²	42.1	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-45.5	-177.7	-57.8	0	0	0	0	111.5	V499 D500 G501 S507 N536	V499-S503 VanDerWaalsContact O-CB 3.27Å; V499-S503 WeakPolarHBondContact O-CB 2.96Å; V499-S503 PolarHBondContact O-N 3.45Å; V499-S503 PolarHBondContact O-OG 3.39Å; D500-S503 PolarHBondContact O-N 3.01Å; G501-S503 VanDerWaalsContact C-N 3.32Å; G501-S503 PolarHBondContact O-N 3.43Å; S503-S507 VanDerWaalsContact O-CB 3.31Å; S503-S507 WeakPolarHBondContact O-CB 3.3Å; S503-S507 PolarHBondContact O-N 3.42Å; S503-N536 WeakPolarHBondContact OG-CB 3.16Å; S503-N536 PolarHBondContact OG-ND2 3.37Å
504	F	98.9	Very high	98.9	Very high	41 Å²	41	40.6 Å²	40.6	18%	0.18	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-49	177.1	176.5	-87.5	0	0	0	111.2	W279 D500 G501 F502 S507	W279-F504 AromaticContact CE2-CD1 3.8Å; W279-F504 AromaticContact CE2-CE1 3.64Å; W279-F504 AromaticContact CE2-CZ 3.85Å; W279-F504 AromaticContact CZ2-CD1 3.87Å; W279-F504 HydrophobicContact CZ2-CD1 3.87Å; W279-F504 AromaticContact CZ2-CE1 3.33Å; W279-F504 HydrophobicContact CZ2-CE1 3.33Å; W279-F504 AromaticContact CZ2-CZ 3.71Å; W279-F504 HydrophobicContact CZ2-CZ 3.71Å; W279-F504 AromaticContact NE1-CD1 3.38Å; W279-F504 AromaticContact NE1-CD2 3.37Å; W279-F504 AromaticContact NE1-CE1 3.43Å; W279-F504 AromaticContact NE1-CE2 3.36Å; W279-F504 AromaticContact NE1-CG 3.35Å; W279-F504 AromaticContact NE1-CZ 3.38Å; D500-F504 VanDerWaalsContact O-CB 3.29Å; D500-F504 WeakPolarHBondContact O-CB 3.49Å; D500-F504 PolarHBondContact O-N 3.17Å; G501-F504 PolarHBondContact O-N 2.99Å; F502-F504 PolarHBondContact O-N 2.94Å; F504-S507 PolarHBondContact O-N 2.68Å; F504-S507 PolarHBondContact O-OG 2.86Å
505	E	98.9	Very high	98.9	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-51	-176.9	-70.7	-106.1	166.1	0	0	111.7	R155 S209 A210 W215 M232 G501 F502 S507 K508	R155-E505 WeakPolarHBondContact CD-OE1 3.48Å; S209-E505 WeakPolarHBondContact CB-OE2 3.38Å; S209-E505 PolarHBondContact OG-OE1 3.24Å; S209-E505 VanDerWaalsContact OG-OE1 3.12Å; S209-E505 PolarHBondContact OG-OE2 3.09Å; A210-E505 WeakPolarHBondContact CA-OE2 3.13Å; A210-E505 HydrophobicContact CB-CB 4.25Å; A210-E505 HydrophobicContact CB-CG 4.24Å; A210-E505 WeakPolarHBondContact CB-OE2 3.26Å; A210-E505 PolarHBondContact N-OE2 3.27Å; W215-E505 HydrophobicContact CZ2-CB 3.57Å; W215-E505 HydrophobicContact CZ2-CG 4.14Å; W215-E505 PolarHBondContact NE1-OE2 2.85Å; M232-E505 HydrophobicContact CE-CG 4.02Å; M232-E505 HydrophobicContact SD-CB 4.36Å; M232-E505 HydrophobicContact SD-CG 3.77Å; G501-E505 WeakPolarHBondContact O-CB 3.21Å; G501-E505 VanDerWaalsContact O-CG 3.26Å; G501-E505 WeakPolarHBondContact O-CG 3.4Å; G501-E505 PolarHBondContact O-N 3.03Å; F502-E505 PolarHBondContact O-N 3.13Å; E505-S507 VanDerWaalsContact C-N 3.26Å; E505-S507 PolarHBondContact O-N 3.08Å; E505-K508 WeakPolarHBondContact O-CB 3Å; E505-K508 PolarHBondContact O-N 3.06Å
506	L	98.9	Very high	98.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-24.6	-179.4	-66.8	175	0	0	0	113	W215 F502 K508 V509 R515 V518 V533 L537	W215-L506 HydrophobicContact CB-CD2 4.1Å; W215-L506 HydrophobicContact CD2-CD2 3.5Å; W215-L506 HydrophobicContact CD2-CG 4.44Å; W215-L506 HydrophobicContact CE3-CD2 3.82Å; W215-L506 HydrophobicContact CG-CD2 3.63Å; W215-L506 HydrophobicContact CZ3-CD2 4.47Å; F502-L506 VanDerWaalsContact O-CB 3.27Å; F502-L506 WeakPolarHBondContact O-CB 3.4Å; F502-L506 VanDerWaalsContact O-CG 3.29Å; F502-L506 WeakPolarHBondContact O-CG 3.38Å; F502-L506 PolarHBondContact O-N 2.94Å; L506-K508 PolarHBondContact O-N 2.88Å; L506-V509 HydrophobicContact CD2-CG2 4.29Å; L506-V509 WeakPolarHBondContact O-CB 3.45Å; L506-V509 PolarHBondContact O-N 2.85Å; L506-R515 VanDerWaalsContact O-CD 3.31Å; L506-R515 WeakPolarHBondContact O-CD 3.22Å; L506-R515 PolarHBondContact O-NE 2.81Å; L506-V518 HydrophobicContact CD1-CB 4.19Å; L506-V518 HydrophobicContact CD1-CG1 3.84Å; L506-V518 HydrophobicContact CD2-CB 4.05Å; L506-V518 HydrophobicContact CD2-CG1 4.09Å; L506-V518 HydrophobicContact CD2-CG2 4.07Å; L506-V533 HydrophobicContact CD1-CG1 4.07Å; L506-L537 HydrophobicContact CB-CD1 3.72Å; L506-L537 HydrophobicContact CB-CD2 4.04Å; L506-L537 HydrophobicContact CD1-CD1 3.77Å; L506-L537 HydrophobicContact CG-CD1 4.42Å
507	S	98.9	Very high	98.9	Very high	55 Å²	55	46 Å²	46	39%	0.385	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-23.5	172.9	77.8	0	0	0	0	113.1	S503 F504 E505	S503-S507 VanDerWaalsContact O-CB 3.31Å; S503-S507 WeakPolarHBondContact O-CB 3.3Å; S503-S507 PolarHBondContact O-N 3.42Å; F504-S507 PolarHBondContact O-N 2.68Å; F504-S507 PolarHBondContact O-OG 2.86Å; E505-S507 VanDerWaalsContact C-N 3.26Å; E505-S507 PolarHBondContact O-N 3.08Å
508	K	98.8	Very high	98.9	Very high	89 Å²	89	44.8 Å²	44.8	39%	0.387	22%	0.216	S	C	.	.	H	α-helix	trans	-89.8	-15	-179.8	-54.9	-61.5	173.3	56.6	0	113.4	A210 E505 L506 V510	A210-K508 HydrophobicContact CB-CB 4.14Å; A210-K508 HydrophobicContact CB-CG 4.17Å; A210-K508 VanDerWaalsContact O-CB 3.32Å; A210-K508 WeakPolarHBondContact O-CB 3.26Å; E505-K508 WeakPolarHBondContact O-CB 3Å; E505-K508 PolarHBondContact O-N 3.06Å; L506-K508 PolarHBondContact O-N 2.88Å; K508-V510 PolarHBondContact O-N 3.02Å
509	V	98.9	Very high	98.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.216	C	C	.	.			trans	-69.5	120.4	173.5	173.6	0	0	0	0	108.8	D212 W215 L506 I514 R515	D212-V509 HydrophobicContact CB-CG1 4.46Å; D212-V509 WeakPolarHBondContact OD2-CA 3.37Å; W215-V509 HydrophobicContact CB-CG2 3.85Å; W215-V509 HydrophobicContact CG-CG2 3.78Å; L506-V509 HydrophobicContact CD2-CG2 4.29Å; L506-V509 WeakPolarHBondContact O-CB 3.45Å; L506-V509 PolarHBondContact O-N 2.85Å; V509-I514 HydrophobicContact CG1-CB 3.78Å; V509-I514 HydrophobicContact CG1-CD1 4.21Å; V509-I514 HydrophobicContact CG1-CG2 3.86Å; V509-R515 HydrophobicContact CB-CG 4.11Å; V509-R515 HydrophobicContact CG1-CG 4.13Å; V509-R515 PolarHBondContact O-NE 2.82Å; V509-R515 PolarHBondContact O-NH2 2.81Å
510	V	98.8	Very high	98.9	Very high	108 Å²	108	46.8 Å²	46.8	66%	0.655	23%	0.226	S	C	*	.	S	Bend	trans	-73.1	-42.4	-173.9	178.1	0	0	0	0	111.6	D212 K508 P512	D212-V510 PolarHBondContact OD1-N 3.49Å; D212-V510 PolarHBondContact OD2-N 2.87Å; K508-V510 PolarHBondContact O-N 3.02Å; V510-P512 WeakPolarHBondContact O-CD 3.26Å
511	R	98.8	Very high	98.9	Very high	118 Å²	118	45 Å²	45	45%	0.445	22%	0.215	S	C	.	.			trans	-78.4	110.3	-176.5	-68.7	165.8	-175.1	86.1	-8.2	111.3	D212 Y513 I514	D212-R511 WeakPolarHBondContact OD1-CB 3.32Å; D212-R511 WeakPolarHBondContact OD1-CD 3.44Å; D212-R511 WeakPolarHBondContact OD1-CG 3.44Å; D212-R511 IonicContact OD1-CZ 3.63Å; D212-R511 PolarHBondContact OD1-N 2.69Å; D212-R511 IonicContact OD1-NE 3.96Å; D212-R511 IonicContact OD1-NH1 3.37Å; D212-R511 PolarHBondContact OD1-NH1 3.48Å; R511-Y513 VanDerWaalsContact C-N 3.32Å; R511-Y513 HydrophobicContact CB-CD1 3.98Å; R511-Y513 HydrophobicContact CB-CE1 3.59Å; R511-Y513 WeakPolarHBondContact CD-OH 3.16Å; R511-Y513 HydrophobicContact CG-CE1 3.97Å; R511-Y513 PolarHBondContact O-N 2.67Å; R511-I514 HydrophobicContact CB-CD1 3.79Å; R511-I514 HydrophobicContact CB-CG1 4.01Å; R511-I514 HydrophobicContact CG-CD1 4.46Å; R511-I514 WeakPolarHBondContact O-CB 3.49Å; R511-I514 PolarHBondContact O-N 2.97Å; R511-I514 VanDerWaalsContact O-N 3.11Å
512	P	98.8	Very high	98.9	Very high	71 Å²	71	44.9 Å²	44.9	46%	0.461	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-36.4	-172.6	-26.1	37.3	0	0	0	114.2	V510 I514 R515 E516	V510-P512 WeakPolarHBondContact O-CD 3.26Å; P512-I514 PolarHBondContact O-N 2.62Å; P512-I514 VanDerWaalsContact O-N 3.11Å; P512-R515 WeakPolarHBondContact O-CA 3.5Å; P512-R515 VanDerWaalsContact O-CB 3.28Å; P512-R515 WeakPolarHBondContact O-CB 3.35Å; P512-R515 PolarHBondContact O-N 2.81Å; P512-E516 PolarHBondContact O-N 2.71Å
513	Y	98.8	Very high	98.9	Very high	98 Å²	98	45 Å²	45	38%	0.384	22%	0.215	S	C	.	.	H	α-helix	trans	-59.7	-26.5	179.3	74.8	-96.6	0	0	0	113.2	R511 R517	R511-Y513 VanDerWaalsContact C-N 3.32Å; R511-Y513 HydrophobicContact CB-CD1 3.98Å; R511-Y513 HydrophobicContact CB-CE1 3.59Å; R511-Y513 WeakPolarHBondContact CD-OH 3.16Å; R511-Y513 HydrophobicContact CG-CE1 3.97Å; R511-Y513 PolarHBondContact O-N 2.67Å; Y513-R517 WeakPolarHBondContact O-CB 3.38Å; Y513-R517 VanDerWaalsContact O-CG 3.22Å; Y513-R517 WeakPolarHBondContact O-CG 3.42Å; Y513-R517 PolarHBondContact O-N 3.2Å
514	I	98.9	Very high	98.9	Very high	2 Å²	2	47 Å²	47	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-44.7	174.6	-62.3	177.3	0	0	0	109.2	D212 W215 D216 V509 R511 P512 E516 R517 V518	D212-I514 HydrophobicContact CB-CD1 4.08Å; W215-I514 VanDerWaalsContact C-CG2 3.41Å; W215-I514 HydrophobicContact CB-CG2 3.63Å; D216-I514 HydrophobicContact CB-CD1 3.9Å; D216-I514 HydrophobicContact CB-CG1 4.47Å; V509-I514 HydrophobicContact CG1-CB 3.78Å; V509-I514 HydrophobicContact CG1-CD1 4.21Å; V509-I514 HydrophobicContact CG1-CG2 3.86Å; R511-I514 HydrophobicContact CB-CD1 3.79Å; R511-I514 HydrophobicContact CB-CG1 4.01Å; R511-I514 HydrophobicContact CG-CD1 4.46Å; R511-I514 WeakPolarHBondContact O-CB 3.49Å; R511-I514 PolarHBondContact O-N 2.97Å; R511-I514 VanDerWaalsContact O-N 3.11Å; P512-I514 PolarHBondContact O-N 2.62Å; P512-I514 VanDerWaalsContact O-N 3.11Å; I514-E516 VanDerWaalsContact C-N 3.33Å; I514-E516 PolarHBondContact O-N 2.78Å; I514-R517 PolarHBondContact O-N 2.9Å; I514-V518 WeakPolarHBondContact O-CG2 3.48Å; I514-V518 PolarHBondContact O-N 3.16Å
515	R	98.9	Very high	98.9	Very high	61 Å²	61	45.1 Å²	45.1	23%	0.23	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-47.1	176.6	-48.3	-179.5	-164.9	171.3	0.2	110.8	L506 V509 P512 V518 V519 L537 I539	L506-R515 VanDerWaalsContact O-CD 3.31Å; L506-R515 WeakPolarHBondContact O-CD 3.22Å; L506-R515 PolarHBondContact O-NE 2.81Å; V509-R515 HydrophobicContact CB-CG 4.11Å; V509-R515 HydrophobicContact CG1-CG 4.13Å; V509-R515 PolarHBondContact O-NE 2.82Å; V509-R515 PolarHBondContact O-NH2 2.81Å; P512-R515 WeakPolarHBondContact O-CA 3.5Å; P512-R515 VanDerWaalsContact O-CB 3.28Å; P512-R515 WeakPolarHBondContact O-CB 3.35Å; P512-R515 PolarHBondContact O-N 2.81Å; R515-V518 PolarHBondContact O-N 2.8Å; R515-V519 WeakPolarHBondContact O-CG2 3.09Å; R515-V519 PolarHBondContact O-N 3.32Å; R515-L537 HydrophobicContact CB-CD1 4.4Å; R515-I539 HydrophobicContact CB-CD1 4.17Å
516	E	98.8	Very high	98.9	Very high	99 Å²	99	45.8 Å²	45.8	46%	0.463	22%	0.219	S	C	.	.	H	α-helix	trans	-59.4	-46	177.8	-67.9	160.4	-155.3	0	0	111.8	P512 I514 V519 D520 I539	P512-E516 PolarHBondContact O-N 2.71Å; I514-E516 VanDerWaalsContact C-N 3.33Å; I514-E516 PolarHBondContact O-N 2.78Å; E516-V519 PolarHBondContact O-N 2.98Å; E516-D520 PolarHBondContact O-N 3.16Å; E516-I539 HydrophobicContact CG-CD1 3.98Å; E516-I539 HydrophobicContact CG-CG1 4.36Å
517	R	98.9	Very high	98.9	Very high	111 Å²	111	48 Å²	48	42%	0.419	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-39.4	177.1	-72.8	172.3	177.2	-180	-1.5	112.9	Y513 I514 D520 Q521	Y513-R517 WeakPolarHBondContact O-CB 3.38Å; Y513-R517 VanDerWaalsContact O-CG 3.22Å; Y513-R517 WeakPolarHBondContact O-CG 3.42Å; Y513-R517 PolarHBondContact O-N 3.2Å; I514-R517 PolarHBondContact O-N 2.9Å; R517-D520 WeakPolarHBondContact O-CB 3.39Å; R517-D520 PolarHBondContact O-N 3.39Å; R517-Q521 WeakPolarHBondContact O-CG 3.34Å; R517-Q521 PolarHBondContact O-N 2.88Å
518	V	98.9	Very high	98.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-44	175.8	175.8	0	0	0	0	110.1	W215 L506 I514 R515 D520 Q521 L522	W215-V518 HydrophobicContact CB-CG2 4.28Å; W215-V518 HydrophobicContact CE3-CG1 3.93Å; W215-V518 HydrophobicContact CE3-CG2 3.86Å; W215-V518 HydrophobicContact CZ3-CG1 3.97Å; L506-V518 HydrophobicContact CD1-CB 4.19Å; L506-V518 HydrophobicContact CD1-CG1 3.84Å; L506-V518 HydrophobicContact CD2-CB 4.05Å; L506-V518 HydrophobicContact CD2-CG1 4.09Å; L506-V518 HydrophobicContact CD2-CG2 4.07Å; I514-V518 WeakPolarHBondContact O-CG2 3.48Å; I514-V518 PolarHBondContact O-N 3.16Å; R515-V518 PolarHBondContact O-N 2.8Å; V518-D520 VanDerWaalsContact C-N 3.27Å; V518-D520 PolarHBondContact O-N 3.35Å; V518-Q521 WeakPolarHBondContact O-CB 3.42Å; V518-Q521 PolarHBondContact O-N 3.25Å; V518-Q521 VanDerWaalsContact O-N 3.1Å; V518-L522 WeakPolarHBondContact O-CG 3.34Å; V518-L522 PolarHBondContact O-N 3.29Å
519	V	98.9	Very high	98.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-38	175.4	167.6	0	0	0	0	111.7	R515 E516 L522 A523 V533 A534 L537 I539 L541	R515-V519 WeakPolarHBondContact O-CG2 3.09Å; R515-V519 PolarHBondContact O-N 3.32Å; E516-V519 PolarHBondContact O-N 2.98Å; V519-L522 WeakPolarHBondContact O-CB 3.33Å; V519-L522 PolarHBondContact O-N 3.35Å; V519-A523 PolarHBondContact O-N 3.45Å; V519-V533 HydrophobicContact CG2-CG1 4.04Å; V519-A534 HydrophobicContact CG1-CB 3.83Å; V519-L537 HydrophobicContact CG2-CD1 4.01Å; V519-I539 HydrophobicContact CG1-CG2 4.41Å; V519-I539 HydrophobicContact CG2-CD1 4.14Å; V519-L541 HydrophobicContact CG1-CD2 3.45Å; V519-L541 VanDerWaalsContact CG1-CD2 3.45Å
520	D	98.9	Very high	98.9	Very high	52 Å²	52	45.6 Å²	45.6	28%	0.278	22%	0.221	S	C	.	.	H	α-helix	trans	-60.3	-44.2	172.4	-174.7	70.9	0	0	0	112.2	E516 R517 V518 L522 A523 H524 Q545	E516-D520 PolarHBondContact O-N 3.16Å; R517-D520 WeakPolarHBondContact O-CB 3.39Å; R517-D520 PolarHBondContact O-N 3.39Å; V518-D520 VanDerWaalsContact C-N 3.27Å; V518-D520 PolarHBondContact O-N 3.35Å; D520-L522 VanDerWaalsContact C-N 3.3Å; D520-L522 PolarHBondContact O-N 2.94Å; D520-A523 WeakPolarHBondContact O-CB 3.48Å; D520-A523 PolarHBondContact O-N 2.87Å; D520-A523 VanDerWaalsContact O-N 3.13Å; D520-H524 PolarHBondContact O-N 3.27Å; D520-H524 PolarHBondContact O-ND1 2.92Å; D520-H524 IonicContact OD2-CE1 3.72Å; D520-Q545 WeakPolarHBondContact OD1-CG 3.14Å; D520-Q545 PolarHBondContact OD1-NE2 2.9Å
521	Q	98.9	Very high	98.9	Very high	23 Å²	23	45 Å²	45	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-37.7	173.1	-64.6	-67.8	-2.8	0	0	112.2	S219 L225 Y480 R517 V518 A523 H524	S219-Q521 PolarHBondContact O-NE2 3.29Å; S219-Q521 VanDerWaalsContact O-NE2 3.11Å; L225-Q521 HydrophobicContact CD1-CB 3.92Å; L225-Q521 HydrophobicContact CD1-CG 4.46Å; L225-Q521 HydrophobicContact CD2-CB 4.06Å; Y480-Q521 PolarHBondContact OH-OE1 2.91Å; R517-Q521 WeakPolarHBondContact O-CG 3.34Å; R517-Q521 PolarHBondContact O-N 2.88Å; V518-Q521 WeakPolarHBondContact O-CB 3.42Å; V518-Q521 PolarHBondContact O-N 3.25Å; V518-Q521 VanDerWaalsContact O-N 3.1Å; Q521-A523 VanDerWaalsContact C-N 3.28Å; Q521-A523 PolarHBondContact O-N 3.15Å; Q521-H524 WeakPolarHBondContact O-CB 3.27Å; Q521-H524 PolarHBondContact O-N 3.14Å
522	L	98.9	Very high	98.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-32.8	175.8	-61	-175.9	0	0	0	112.3	F502 V518 V519 D520 H524 I525 D526 L529 A530 V533	F502-L522 HydrophobicContact CD1-CD1 4.3Å; F502-L522 HydrophobicContact CE1-CD2 3.96Å; F502-L522 HydrophobicContact CE2-CD2 4.26Å; F502-L522 HydrophobicContact CG-CD1 4.31Å; F502-L522 HydrophobicContact CZ-CD2 3.8Å; V518-L522 WeakPolarHBondContact O-CG 3.34Å; V518-L522 PolarHBondContact O-N 3.29Å; V519-L522 WeakPolarHBondContact O-CB 3.33Å; V519-L522 PolarHBondContact O-N 3.35Å; D520-L522 VanDerWaalsContact C-N 3.3Å; D520-L522 PolarHBondContact O-N 2.94Å; L522-H524 PolarHBondContact O-N 3.49Å; L522-I525 HydrophobicContact CD2-CD1 4.13Å; L522-I525 WeakPolarHBondContact O-CB 3.35Å; L522-I525 PolarHBondContact O-N 2.96Å; L522-D526 PolarHBondContact O-N 2.93Å; L522-L529 HydrophobicContact CD1-CG 4.36Å; L522-L529 HydrophobicContact CD2-CD2 4.15Å; L522-A530 HydrophobicContact CB-CB 3.97Å; L522-V533 HydrophobicContact CD1-CB 4.11Å; L522-V533 HydrophobicContact CD1-CG1 4.15Å; L522-V533 HydrophobicContact CD1-CG2 3.97Å
523	A	98.8	Very high	98.9	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-25.3	177	0	0	0	0	0	112.5	V519 D520 Q521 I525 L527 A530 Q545 I548	V519-A523 PolarHBondContact O-N 3.45Å; D520-A523 WeakPolarHBondContact O-CB 3.48Å; D520-A523 PolarHBondContact O-N 2.87Å; D520-A523 VanDerWaalsContact O-N 3.13Å; Q521-A523 VanDerWaalsContact C-N 3.28Å; Q521-A523 PolarHBondContact O-N 3.15Å; A523-I525 VanDerWaalsContact C-N 3.3Å; A523-L527 HydrophobicContact CB-CD2 4.27Å; A523-A530 HydrophobicContact CB-CB 3.99Å; A523-Q545 HydrophobicContact CB-CB 4.5Å; A523-I548 HydrophobicContact CB-CD1 3.9Å
524	H	98.8	Very high	98.9	Very high	54 Å²	54	33 Å²	33	25%	0.25	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.1	171.4	-64	78.3	0	0	0	113.5	Y480 D520 Q521 L522 P551	Y480-H524 HydrophobicContact CD1-CB 3.62Å; Y480-H524 HydrophobicContact CD2-CB 4.34Å; Y480-H524 HydrophobicContact CE1-CB 3.54Å; Y480-H524 HydrophobicContact CE2-CB 4.28Å; Y480-H524 HydrophobicContact CG-CB 4.02Å; D520-H524 PolarHBondContact O-N 3.27Å; D520-H524 PolarHBondContact O-ND1 2.92Å; D520-H524 IonicContact OD2-CE1 3.72Å; Q521-H524 WeakPolarHBondContact O-CB 3.27Å; Q521-H524 PolarHBondContact O-N 3.14Å; L522-H524 PolarHBondContact O-N 3.49Å; H524-P551 WeakPolarHBondContact O-CD 3.41Å
525	I	98.9	Very high	98.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-59.6	178.9	-60.8	168.9	0	0	0	110.4	L225 Y480 P483 R484 L522 A523	L225-I525 HydrophobicContact CB-CD1 4.19Å; L225-I525 HydrophobicContact CD1-CD1 4.29Å; Y480-I525 HydrophobicContact CD1-CG1 3.99Å; P483-I525 HydrophobicContact CB-CB 4.5Å; P483-I525 HydrophobicContact CB-CD1 3.68Å; P483-I525 HydrophobicContact CB-CG1 3.9Å; P483-I525 HydrophobicContact CB-CG2 3.78Å; P483-I525 HydrophobicContact CG-CD1 4.32Å; R484-I525 HydrophobicContact CB-CG2 4.11Å; R484-I525 WeakPolarHBondContact CD-O 3.34Å; R484-I525 PolarHBondContact NH1-O 3.28Å; L522-I525 HydrophobicContact CD2-CD1 4.13Å; L522-I525 WeakPolarHBondContact O-CB 3.35Å; L522-I525 PolarHBondContact O-N 2.96Å; A523-I525 VanDerWaalsContact C-N 3.3Å
526	D	98.9	Very high	98.9	Very high	15 Å²	15	42.2 Å²	42.2	8%	0.08	21%	0.209	C	C	.	.			trans	-158.4	129.4	179	-171.6	-97.4	0	0	0	111.3	R484 W487 L522 T528 L529 A530	R484-D526 IonicContact CZ-OD2 3.61Å; R484-D526 IonicContact NH1-OD2 2.73Å; R484-D526 PolarHBondContact NH1-OD2 3.41Å; R484-D526 IonicContact NH2-OD2 3.63Å; W487-D526 HydrophobicContact CG-CB 4.39Å; W487-D526 PolarHBondContact NE1-OD1 3.02Å; W487-D526 VanDerWaalsContact NE1-OD1 3.08Å; L522-D526 PolarHBondContact O-N 2.93Å; D526-T528 VanDerWaalsContact C-N 3.33Å; D526-T528 PolarHBondContact O-N 3.47Å; D526-T528 WeakPolarHBondContact OD1-CA 3.32Å; D526-T528 WeakPolarHBondContact OD1-CB 3.46Å; D526-T528 PolarHBondContact OD1-N 3.33Å; D526-T528 PolarHBondContact OD1-OG1 3.43Å; D526-L529 HydrophobicContact CB-CB 4.15Å; D526-L529 WeakPolarHBondContact O-CB 3.42Å; D526-L529 PolarHBondContact O-N 3.2Å; D526-L529 PolarHBondContact OD1-N 2.86Å; D526-A530 PolarHBondContact O-N 3.34Å
527	L	98.8	Very high	98.8	Very high	47 Å²	47	38.8 Å²	38.8	25%	0.246	19%	0.194	C	C	.	.	H	α-helix	trans	-67.3	-31.3	-177.8	-70.9	173.6	0	0	0	113.3	A523 A530 Q531 Q545 L546	A523-L527 HydrophobicContact CB-CD2 4.27Å; L527-A530 PolarHBondContact O-N 3.33Å; L527-Q531 VanDerWaalsContact O-CB 3.27Å; L527-Q531 WeakPolarHBondContact O-CB 3.31Å; L527-Q531 WeakPolarHBondContact O-CG 3.39Å; L527-Q531 PolarHBondContact O-N 2.89Å; L527-Q531 PolarHBondContact O-OE1 3.34Å; L527-Q545 WeakPolarHBondContact CD2-O 3.32Å; L527-L546 WeakPolarHBondContact CD1-O 3.3Å
528	T	98.8	Very high	98.8	Very high	93 Å²	93	36.9 Å²	36.9	57%	0.571	21%	0.209	S	C	*	.	H	α-helix	trans	-67.4	-43.5	178.5	-48.6	0	0	0	0	110.2	D526 A532	D526-T528 VanDerWaalsContact C-N 3.33Å; D526-T528 PolarHBondContact O-N 3.47Å; D526-T528 WeakPolarHBondContact OD1-CA 3.32Å; D526-T528 WeakPolarHBondContact OD1-CB 3.46Å; D526-T528 PolarHBondContact OD1-N 3.33Å; D526-T528 PolarHBondContact OD1-OG1 3.43Å; T528-A532 VanDerWaalsContact O-CB 3.3Å; T528-A532 WeakPolarHBondContact O-CB 3.25Å; T528-A532 PolarHBondContact O-N 3.01Å; T528-A532 VanDerWaalsContact O-N 3.08Å
529	L	98.9	Very high	98.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-53.3	172.6	170.4	61	0	0	0	111	M229 W487 I498 V499 F502 L522 D526 Q531 A532 V533	M229-L529 HydrophobicContact CE-CD2 3.74Å; M229-L529 HydrophobicContact SD-CD2 3.78Å; W487-L529 HydrophobicContact CD2-CB 4.29Å; W487-L529 HydrophobicContact CD2-CD2 4.46Å; W487-L529 HydrophobicContact CE3-CB 4.47Å; W487-L529 HydrophobicContact CE3-CD1 4.29Å; W487-L529 HydrophobicContact CE3-CD2 4.32Å; W487-L529 HydrophobicContact CH2-CB 4.03Å; W487-L529 HydrophobicContact CH2-CD1 4.03Å; W487-L529 HydrophobicContact CZ2-CB 3.84Å; W487-L529 HydrophobicContact CZ3-CB 4.33Å; W487-L529 HydrophobicContact CZ3-CD1 3.81Å; W487-L529 HydrophobicContact CZ3-CG 4.48Å; I498-L529 HydrophobicContact CG2-CD1 4.17Å; V499-L529 HydrophobicContact CG2-CD1 3.78Å; F502-L529 HydrophobicContact CD2-CD1 4.42Å; L522-L529 HydrophobicContact CD1-CG 4.36Å; L522-L529 HydrophobicContact CD2-CD2 4.15Å; D526-L529 HydrophobicContact CB-CB 4.15Å; D526-L529 WeakPolarHBondContact O-CB 3.42Å; D526-L529 PolarHBondContact O-N 3.2Å; D526-L529 PolarHBondContact OD1-N 2.86Å; L529-Q531 PolarHBondContact O-N 3.18Å; L529-A532 PolarHBondContact O-N 2.87Å; L529-V533 HydrophobicContact CD1-CG2 4.06Å; L529-V533 WeakPolarHBondContact O-CG2 3.15Å; L529-V533 PolarHBondContact O-N 2.83Å
530	A	98.9	Very high	98.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-47.2	-177.2	0	0	0	0	0	112.1	L522 A523 D526 L527 A532 V533 A534 L541	L522-A530 HydrophobicContact CB-CB 3.97Å; A523-A530 HydrophobicContact CB-CB 3.99Å; D526-A530 PolarHBondContact O-N 3.34Å; L527-A530 PolarHBondContact O-N 3.33Å; A530-A532 PolarHBondContact O-N 3.44Å; A530-V533 PolarHBondContact O-N 2.92Å; A530-A534 WeakPolarHBondContact O-CB 3.02Å; A530-A534 PolarHBondContact O-N 2.68Å; A530-L541 HydrophobicContact CB-CD1 4.08Å
531	Q	98.8	Very high	98.8	Very high	95 Å²	95	45.8 Å²	45.8	44%	0.444	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-40.8	178.6	-74.3	177.2	-47.7	0	0	112.4	L527 L529 A534 K535 L541 L546	L527-Q531 VanDerWaalsContact O-CB 3.27Å; L527-Q531 WeakPolarHBondContact O-CB 3.31Å; L527-Q531 WeakPolarHBondContact O-CG 3.39Å; L527-Q531 PolarHBondContact O-N 2.89Å; L527-Q531 PolarHBondContact O-OE1 3.34Å; L529-Q531 PolarHBondContact O-N 3.18Å; Q531-A534 PolarHBondContact O-N 3.44Å; Q531-K535 VanDerWaalsContact O-CB 3.3Å; Q531-K535 WeakPolarHBondContact O-CB 3.32Å; Q531-K535 PolarHBondContact O-N 2.98Å; Q531-L541 HydrophobicContact CG-CD1 3.67Å; Q531-L546 HydrophobicContact CG-CD2 4.08Å
532	A	98.8	Very high	98.8	Very high	33 Å²	33	48.1 Å²	48.1	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-66.9	-43.8	-179.6	0	0	0	0	0	111.8	V499 T528 L529 A530 N536	V499-A532 HydrophobicContact CB-CB 4.49Å; V499-A532 HydrophobicContact CG1-CB 3.71Å; V499-A532 HydrophobicContact CG2-CB 3.89Å; T528-A532 VanDerWaalsContact O-CB 3.3Å; T528-A532 WeakPolarHBondContact O-CB 3.25Å; T528-A532 PolarHBondContact O-N 3.01Å; T528-A532 VanDerWaalsContact O-N 3.08Å; L529-A532 PolarHBondContact O-N 2.87Å; A530-A532 PolarHBondContact O-N 3.44Å; A532-N536 PolarHBondContact O-N 3.48Å
533	V	98.9	Very high	98.8	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-45.2	174.6	176.9	0	0	0	0	110.9	V499 F502 L506 V519 L522 L529 A530 K535 N536 L537	V499-V533 HydrophobicContact CB-CG2 4.4Å; V499-V533 HydrophobicContact CG1-CG2 4.07Å; V499-V533 HydrophobicContact CG2-CG2 4.46Å; F502-V533 HydrophobicContact CB-CG1 4.09Å; F502-V533 HydrophobicContact CB-CG2 3.83Å; L506-V533 HydrophobicContact CD1-CG1 4.07Å; V519-V533 HydrophobicContact CG2-CG1 4.04Å; L522-V533 HydrophobicContact CD1-CB 4.11Å; L522-V533 HydrophobicContact CD1-CG1 4.15Å; L522-V533 HydrophobicContact CD1-CG2 3.97Å; L529-V533 HydrophobicContact CD1-CG2 4.06Å; L529-V533 WeakPolarHBondContact O-CG2 3.15Å; L529-V533 PolarHBondContact O-N 2.83Å; A530-V533 PolarHBondContact O-N 2.92Å; V533-K535 VanDerWaalsContact C-N 3.32Å; V533-K535 PolarHBondContact O-N 3.02Å; V533-N536 PolarHBondContact O-N 3.28Å; V533-N536 VanDerWaalsContact O-N 3.11Å; V533-L537 HydrophobicContact CG1-CD1 3.82Å; V533-L537 HydrophobicContact CG1-CG 4.43Å; V533-L537 WeakPolarHBondContact O-CG 3.5Å; V533-L537 PolarHBondContact O-N 2.8Å; V533-L537 VanDerWaalsContact O-N 3.1Å
534	A	98.9	Very high	98.8	Very high	2 Å²	2	60.4 Å²	60.4	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-57.1	-45.6	178.5	0	0	0	0	0	111.5	V519 A530 Q531 N536 L537 G538 I539 L541	V519-A534 HydrophobicContact CG1-CB 3.83Å; A530-A534 WeakPolarHBondContact O-CB 3.02Å; A530-A534 PolarHBondContact O-N 2.68Å; Q531-A534 PolarHBondContact O-N 3.44Å; A534-N536 VanDerWaalsContact C-N 3.33Å; A534-N536 PolarHBondContact O-N 2.82Å; A534-L537 CarbonylContact O-C 3.51Å; A534-L537 PolarHBondContact O-N 3.37Å; A534-L537 VanDerWaalsContact O-N 3.07Å; A534-G538 PolarHBondContact O-N 3.07Å; A534-I539 CarbonylContact C-O 3.45Å; A534-I539 HydrophobicContact CB-CB 4.1Å; A534-I539 HydrophobicContact CB-CG2 4.28Å; A534-I539 WeakPolarHBondContact CB-O 3.02Å; A534-I539 PolarHBondContact O-N 3.41Å; A534-L541 HydrophobicContact CB-CD2 4.12Å; A534-L541 HydrophobicContact CB-CG 4.22Å
535	K	98.8	Very high	98.8	Very high	169 Å²	169	59.3 Å²	59.3	74%	0.735	33%	0.326	S	S	*	.	H	α-helix	trans	-56.2	-45.1	175.3	-179.7	-177	176.1	-174.9	0	112.2	Q531 V533 L537 G538	Q531-K535 VanDerWaalsContact O-CB 3.3Å; Q531-K535 WeakPolarHBondContact O-CB 3.32Å; Q531-K535 PolarHBondContact O-N 2.98Å; V533-K535 VanDerWaalsContact C-N 3.32Å; V533-K535 PolarHBondContact O-N 3.02Å; K535-L537 PolarHBondContact O-N 2.87Å; K535-G538 PolarHBondContact O-N 3.37Å
536	N	98.8	Very high	98.7	Very high	88 Å²	88	61.9 Å²	61.9	47%	0.471	34%	0.34	S	S	.	.	H	α-helix	trans	-68.4	-23.4	-180	-71.4	-13.1	0	0	0	113	S503 A532 V533 A534	S503-N536 WeakPolarHBondContact OG-CB 3.16Å; S503-N536 PolarHBondContact OG-ND2 3.37Å; A532-N536 PolarHBondContact O-N 3.48Å; V533-N536 PolarHBondContact O-N 3.28Å; V533-N536 VanDerWaalsContact O-N 3.11Å; A534-N536 VanDerWaalsContact C-N 3.33Å; A534-N536 PolarHBondContact O-N 2.82Å
537	L	98.8	Very high	98.7	Very high	27 Å²	27	67 Å²	67	14%	0.141	37%	0.367	C	S	.	.	H	α-helix	trans	-97	-3.7	178.5	-62.2	176	0	0	0	113.7	L506 R515 V519 V533 A534 K535 I539	L506-L537 HydrophobicContact CB-CD1 3.72Å; L506-L537 HydrophobicContact CB-CD2 4.04Å; L506-L537 HydrophobicContact CD1-CD1 3.77Å; L506-L537 HydrophobicContact CG-CD1 4.42Å; R515-L537 HydrophobicContact CB-CD1 4.4Å; V519-L537 HydrophobicContact CG2-CD1 4.01Å; V533-L537 HydrophobicContact CG1-CD1 3.82Å; V533-L537 HydrophobicContact CG1-CG 4.43Å; V533-L537 WeakPolarHBondContact O-CG 3.5Å; V533-L537 PolarHBondContact O-N 2.8Å; V533-L537 VanDerWaalsContact O-N 3.1Å; A534-L537 CarbonylContact O-C 3.51Å; A534-L537 PolarHBondContact O-N 3.37Å; A534-L537 VanDerWaalsContact O-N 3.07Å; K535-L537 PolarHBondContact O-N 2.87Å; L537-I539 HydrophobicContact CB-CD1 3.92Å; L537-I539 HydrophobicContact CB-CG1 4.18Å; L537-I539 HydrophobicContact CD1-CD1 4.24Å
538	G	98.7	Very high	98.7	Very high	71 Å²	71	66.5 Å²	66.5	73%	0.732	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	30.7	-175.1	0	0	0	0	0	113.5	A534 K535	A534-G538 PolarHBondContact O-N 3.07Å; K535-G538 PolarHBondContact O-N 3.37Å
539	I	98.8	Very high	98.7	Very high	35 Å²	35	67.9 Å²	67.9	18%	0.179	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-102.4	134.3	177.7	-65.5	168.1	0	0	0	108.7	R515 E516 V519 A534 L537	R515-I539 HydrophobicContact CB-CD1 4.17Å; E516-I539 HydrophobicContact CG-CD1 3.98Å; E516-I539 HydrophobicContact CG-CG1 4.36Å; V519-I539 HydrophobicContact CG1-CG2 4.41Å; V519-I539 HydrophobicContact CG2-CD1 4.14Å; A534-I539 CarbonylContact C-O 3.45Å; A534-I539 HydrophobicContact CB-CB 4.1Å; A534-I539 HydrophobicContact CB-CG2 4.28Å; A534-I539 WeakPolarHBondContact CB-O 3.02Å; A534-I539 PolarHBondContact O-N 3.41Å; L537-I539 HydrophobicContact CB-CD1 3.92Å; L537-I539 HydrophobicContact CB-CG1 4.18Å; L537-I539 HydrophobicContact CD1-CD1 4.24Å
540	E	98.7	Very high	98.7	Very high	181 Å²	181	71.1 Å²	71.1	85%	0.846	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-99.7	124.6	170.6	-67.7	-177.8	179.1	0	0	109
541	L	98.6	Very high	98.7	Very high	24 Å²	24	72 Å²	72	13%	0.126	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-72.1	139.9	173.9	-61.6	-174.9	0	0	0	109.9	V519 A530 Q531 A534 Q545 L546	V519-L541 HydrophobicContact CG1-CD2 3.45Å; V519-L541 VanDerWaalsContact CG1-CD2 3.45Å; A530-L541 HydrophobicContact CB-CD1 4.08Å; Q531-L541 HydrophobicContact CG-CD1 3.67Å; A534-L541 HydrophobicContact CB-CD2 4.12Å; A534-L541 HydrophobicContact CB-CG 4.22Å; L541-Q545 HydrophobicContact CB-CB 4.33Å; L541-L546 HydrophobicContact CB-CD2 3.98Å; L541-L546 HydrophobicContact CB-CG 4.05Å; L541-L546 HydrophobicContact CD1-CD2 3.88Å
542	T	98.6	Very high	98.6	Very high	73 Å²	73	71.8 Å²	71.8	45%	0.448	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-71.2	159.2	173.3	62.4	0	0	0	0	111.5	D544 Q545 L546	T542-D544 PolarHBondContact O-N 3.07Å; T542-Q545 WeakPolarHBondContact O-CB 3.36Å; T542-Q545 PolarHBondContact O-N 3.04Å; T542-Q545 VanDerWaalsContact O-N 3.13Å; T542-Q545 VanDerWaalsContact OG1-CG 3.28Å; T542-Q545 WeakPolarHBondContact OG1-CG 3.47Å; T542-Q545 PolarHBondContact OG1-N 3.29Å; T542-Q545 PolarHBondContact OG1-OE1 3.35Å; T542-Q545 VanDerWaalsContact OG1-OE1 3.07Å; T542-L546 WeakPolarHBondContact O-CG 3.45Å; T542-L546 PolarHBondContact O-N 3.11Å
543	D	98.4	Very high	98.6	Very high	123 Å²	123	73 Å²	73	66%	0.658	41%	0.408	S	S	*	.	H	α-helix	trans	-57.9	-37	173.5	-71.2	-25.7	0	0	0	111.7	Q545 L546 N547	D543-Q545 PolarHBondContact O-N 2.8Å; D543-L546 PolarHBondContact O-N 3.44Å; D543-N547 PolarHBondContact O-N 3Å; D543-N547 VanDerWaalsContact O-N 3.14Å; D543-N547 PolarHBondContact O-ND2 3.29Å
544	D	98.7	Very high	98.6	Very high	138 Å²	138	73.1 Å²	73.1	74%	0.738	41%	0.409	S	S	*	.	H	α-helix	trans	-61.7	-45.5	176.6	-69.8	-17	0	0	0	110.9	T542 L546 N547 I548	T542-D544 PolarHBondContact O-N 3.07Å; D544-L546 PolarHBondContact O-N 3.45Å; D544-N547 PolarHBondContact O-N 3.49Å; D544-I548 PolarHBondContact O-N 3.33Å
545	Q	98.6	Very high	98.6	Very high	31 Å²	31	75.4 Å²	75.4	15%	0.145	42%	0.421	C	S	.	.	H	α-helix	trans	-63	-41.5	176.3	-74.4	167.6	-40.7	0	0	112.2	D520 A523 L527 L541 T542 D543 N547 I548	D520-Q545 WeakPolarHBondContact OD1-CG 3.14Å; D520-Q545 PolarHBondContact OD1-NE2 2.9Å; A523-Q545 HydrophobicContact CB-CB 4.5Å; L527-Q545 WeakPolarHBondContact CD2-O 3.32Å; L541-Q545 HydrophobicContact CB-CB 4.33Å; T542-Q545 WeakPolarHBondContact O-CB 3.36Å; T542-Q545 PolarHBondContact O-N 3.04Å; T542-Q545 VanDerWaalsContact O-N 3.13Å; T542-Q545 VanDerWaalsContact OG1-CG 3.28Å; T542-Q545 WeakPolarHBondContact OG1-CG 3.47Å; T542-Q545 PolarHBondContact OG1-N 3.29Å; T542-Q545 PolarHBondContact OG1-OE1 3.35Å; T542-Q545 VanDerWaalsContact OG1-OE1 3.07Å; D543-Q545 PolarHBondContact O-N 2.8Å; Q545-N547 PolarHBondContact O-N 2.62Å; Q545-I548 HydrophobicContact CB-CD1 4.34Å; Q545-I548 HydrophobicContact CG-CD1 4.37Å; Q545-I548 WeakPolarHBondContact O-CB 3.05Å; Q545-I548 WeakPolarHBondContact O-CG1 3.5Å; Q545-I548 PolarHBondContact O-N 2.91Å
546	L	98.5	Very high	98.6	Very high	54 Å²	54	70.1 Å²	70.1	28%	0.283	42%	0.415	S	S	.	.	H	α-helix	trans	-66.6	-15.9	177.8	-67.2	173.4	0	0	0	113.5	L527 Q531 L541 T542 D543 D544	L527-L546 WeakPolarHBondContact CD1-O 3.3Å; Q531-L546 HydrophobicContact CG-CD2 4.08Å; L541-L546 HydrophobicContact CB-CD2 3.98Å; L541-L546 HydrophobicContact CB-CG 4.05Å; L541-L546 HydrophobicContact CD1-CD2 3.88Å; T542-L546 WeakPolarHBondContact O-CG 3.45Å; T542-L546 PolarHBondContact O-N 3.11Å; D543-L546 PolarHBondContact O-N 3.44Å; D544-L546 PolarHBondContact O-N 3.45Å
547	N	98.5	Very high	98.6	Very high	124 Å²	124	67.4 Å²	67.4	66%	0.663	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	9	178.3	-70.8	-61.1	0	0	0	113.4	D543 D544 Q545 T549	D543-N547 PolarHBondContact O-N 3Å; D543-N547 VanDerWaalsContact O-N 3.14Å; D543-N547 PolarHBondContact O-ND2 3.29Å; D544-N547 PolarHBondContact O-N 3.49Å; Q545-N547 PolarHBondContact O-N 2.62Å; N547-T549 PolarHBondContact O-N 3.15Å
548	I	98.6	Very high	98.6	Very high	36 Å²	36	72.6 Å²	72.6	19%	0.185	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-59.4	130.2	173.1	-69.1	166.9	0	0	0	109.4	A523 D544 Q545	A523-I548 HydrophobicContact CB-CD1 3.9Å; D544-I548 PolarHBondContact O-N 3.33Å; Q545-I548 HydrophobicContact CB-CD1 4.34Å; Q545-I548 HydrophobicContact CG-CD1 4.37Å; Q545-I548 WeakPolarHBondContact O-CB 3.05Å; Q545-I548 WeakPolarHBondContact O-CG1 3.5Å; Q545-I548 PolarHBondContact O-N 2.91Å
549	T	98.5	Very high	98.6	Very high	122 Å²	122	75.5 Å²	75.5	75%	0.748	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-72.5	126.8	178.3	-58.6	0	0	0	0	109.5	N547	N547-T549 PolarHBondContact O-N 3.15Å
550	P	98.5	Very high	98.6	Very high	67 Å²	67	73.9 Å²	73.9	44%	0.435	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-60	148.1	175.9	-22.9	33.1	0	0	0	112
551	P	98.5	Very high	98.6	Very high	19 Å²	19	67.4 Å²	67.4	12%	0.123	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-64.5	160.4	176.4	27.8	-35.9	0	0	0	111.1	R484 H524	R484-P551 HydrophobicContact CB-CG 3.91Å; R484-P551 HydrophobicContact CG-CG 4.38Å; H524-P551 WeakPolarHBondContact O-CD 3.41Å
552	P	98.2	Very high	98.6	Very high	90 Å²	90	67 Å²	67	58%	0.584	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-65.2	159.9	179.7	28.9	-35.8	0	0	0	112.5	S481	S481-P552 WeakPolarHBondContact CB-O 3.3Å
553	D	98.8	Very high	98.6	Very high	60 Å²	60	64 Å²	64	32%	0.321	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-65.8	149.1	168	-65.7	-14	0	0	0	109.9	N555 L557 K558	D553-N555 PolarHBondContact O-N 3.29Å; D553-L557 WeakPolarHBondContact CB-O 3.22Å; D553-K558 WeakPolarHBondContact OD2-CE 3.41Å; D553-K558 WeakPolarHBondContact OD2-CG 3.37Å
554	V	98.8	Very high	98.6	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-88.6	105.6	-178.8	179.8	0	0	0	0	109.6	F326 P336 L485 G556 L557	F326-V554 HydrophobicContact CD1-CG1 3.66Å; F326-V554 HydrophobicContact CE1-CG1 3.64Å; P336-V554 HydrophobicContact CG-CG1 4.36Å; L485-V554 HydrophobicContact CB-CG2 4.25Å; L485-V554 HydrophobicContact CD2-CB 4.16Å; L485-V554 HydrophobicContact CD2-CG2 4.08Å; V554-G556 PolarHBondContact O-N 3.39Å; V554-L557 PolarHBondContact N-O 3.17Å; V554-L557 VanDerWaalsContact O-CB 3.26Å; V554-L557 WeakPolarHBondContact O-CB 3.35Å; V554-L557 PolarHBondContact O-N 2.87Å
555	N	98.7	Very high	98.6	Very high	49 Å²	49	51.8 Å²	51.8	26%	0.262	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	38.1	-172.9	-66.5	99.1	0	0	0	112.4	D325 L339 D553 L557	D325-N555 VanDerWaalsContact CG-ND2 3.31Å; D325-N555 PolarHBondContact N-ND2 3.1Å; D325-N555 PolarHBondContact N-OD1 3.27Å; D325-N555 PolarHBondContact OD1-ND2 3.1Å; D325-N555 WeakPolarHBondContact OD2-CA 3.38Å; D325-N555 PolarHBondContact OD2-N 3.08Å; L339-N555 HydrophobicContact CD1-CB 3.74Å; L339-N555 HydrophobicContact CD2-CB 4.19Å; D553-N555 PolarHBondContact O-N 3.29Å; N555-L557 VanDerWaalsContact C-N 3.31Å; N555-L557 PolarHBondContact O-N 3.15Å
556	G	98.4	Very high	98.6	Very high	59 Å²	59	51.9 Å²	51.9	61%	0.608	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	0.4	-177.3	0	0	0	0	0	115.4	V554	V554-G556 PolarHBondContact O-N 3.39Å
557	L	98.7	Very high	98.6	Very high	31 Å²	31	51.5 Å²	51.5	16%	0.162	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-83.2	123.6	174.7	-63	179.7	0	0	0	111.6	P336 E338 L339 L485 D553 V554 N555	P336-L557 HydrophobicContact CB-CD1 3.67Å; P336-L557 HydrophobicContact CG-CD1 4.1Å; E338-L557 HydrophobicContact CB-CD1 3.85Å; E338-L557 HydrophobicContact CB-CD2 4.19Å; L339-L557 HydrophobicContact CD1-CD1 4.23Å; L339-L557 HydrophobicContact CD2-CD1 3.71Å; L339-L557 HydrophobicContact CD2-CG 4.06Å; L339-L557 HydrophobicContact CG-CD1 3.62Å; L339-L557 HydrophobicContact CG-CG 4.46Å; L485-L557 HydrophobicContact CD1-CB 4.13Å; D553-L557 WeakPolarHBondContact CB-O 3.22Å; V554-L557 PolarHBondContact N-O 3.17Å; V554-L557 VanDerWaalsContact O-CB 3.26Å; V554-L557 WeakPolarHBondContact O-CB 3.35Å; V554-L557 PolarHBondContact O-N 2.87Å; N555-L557 VanDerWaalsContact C-N 3.31Å; N555-L557 PolarHBondContact O-N 3.15Å
558	K	98.4	Very high	98.6	Very high	136 Å²	136	50 Å²	50	59%	0.591	29%	0.289	S	S	*	.	S	Bend	trans	-85.7	-27.8	169.5	-67.3	-174.3	178.3	-171.4	0	113.1	L488 D553	L488-K558 VanDerWaalsContact CB-O 3.26Å; L488-K558 WeakPolarHBondContact CB-O 3.16Å; L488-K558 WeakPolarHBondContact CD1-O 3.47Å; D553-K558 WeakPolarHBondContact OD2-CE 3.41Å; D553-K558 WeakPolarHBondContact OD2-CG 3.37Å
559	K	98.6	Very high	98.5	Very high	131 Å²	131	54 Å²	54	57%	0.57	32%	0.318	S	S	*	.			trans	-159.1	155.3	-179.3	58.8	176.7	171.1	-179	0	110	S489	S489-K559 WeakPolarHBondContact OG-CA 3.25Å
560	D	98.8	Very high	98.5	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	30%	0.3	C	S	.	.			trans	-133.4	110.7	170.7	-178.5	-22.8	0	0	0	108.2	P336 E337 E338 S489 S562 L563	P336-D560 WeakPolarHBondContact CA-OD2 3.39Å; P336-D560 HydrophobicContact CB-CB 4.49Å; P336-D560 WeakPolarHBondContact CB-OD2 3.27Å; E337-D560 PolarHBondContact N-OD2 2.96Å; E338-D560 HydrophobicContact CG-CB 4.31Å; E338-D560 PolarHBondContact N-OD2 2.75Å; E338-D560 VanDerWaalsContact N-OD2 3.11Å; S489-D560 VanDerWaalsContact CB-O 3.22Å; S489-D560 WeakPolarHBondContact CB-O 3.33Å; S489-D560 PolarHBondContact OG-N 2.84Å; S489-D560 PolarHBondContact OG-O 3.06Å; D560-S562 PolarHBondContact O-N 2.72Å; D560-S562 VanDerWaalsContact O-N 3.08Å; D560-S562 WeakPolarHBondContact OD1-CB 3.36Å; D560-S562 PolarHBondContact OD1-N 3.36Å; D560-S562 PolarHBondContact OD1-OG 3.46Å; D560-L563 HydrophobicContact CB-CD1 4.13Å; D560-L563 HydrophobicContact CB-CG 4.01Å; D560-L563 WeakPolarHBondContact O-CB 3.37Å; D560-L563 WeakPolarHBondContact O-CG 3.39Å; D560-L563 PolarHBondContact O-N 3.33Å; D560-L563 VanDerWaalsContact O-N 3.1Å
561	P	98.6	Very high	98.4	Very high	46 Å²	46	50.4 Å²	50.4	30%	0.299	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-58.4	-20.2	-177.8	-25.1	35.2	0	0	0	115	L563 S564 I568	P561-L563 PolarHBondContact O-N 2.97Å; P561-S564 PolarHBondContact O-N 2.81Å; P561-I568 HydrophobicContact CB-CD1 3.73Å; P561-I568 HydrophobicContact CB-CG1 4.09Å
562	S	98.5	Very high	98.3	Very high	16 Å²	16	53.6 Å²	53.6	11%	0.112	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-64.4	-25.3	177.6	88.2	0	0	0	0	112.4	E337 D560 S564	E337-S562 WeakPolarHBondContact OE1-CB 3.45Å; E337-S562 PolarHBondContact OE1-OG 2.78Å; D560-S562 PolarHBondContact O-N 2.72Å; D560-S562 VanDerWaalsContact O-N 3.08Å; D560-S562 WeakPolarHBondContact OD1-CB 3.36Å; D560-S562 PolarHBondContact OD1-N 3.36Å; D560-S562 PolarHBondContact OD1-OG 3.46Å; S562-S564 VanDerWaalsContact C-N 3.34Å
563	L	98.8	Very high	98.4	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.042	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-72.9	-27.1	-179	-53.8	-173.9	0	0	0	112.5	W230 R235 L334 L485 F486 D560 P561	W230-L563 HydrophobicContact CH2-CD2 4.19Å; W230-L563 HydrophobicContact CZ2-CD2 4.01Å; R235-L563 PolarHBondContact NH2-O 3.49Å; L334-L563 HydrophobicContact CD1-CD2 4.26Å; L334-L563 HydrophobicContact CD2-CD1 4.19Å; L334-L563 HydrophobicContact CD2-CD2 3.73Å; L485-L563 HydrophobicContact CD2-CD1 4.22Å; L485-L563 HydrophobicContact CG-CD1 4.03Å; F486-L563 HydrophobicContact CD2-CB 4.1Å; D560-L563 HydrophobicContact CB-CD1 4.13Å; D560-L563 HydrophobicContact CB-CG 4.01Å; D560-L563 WeakPolarHBondContact O-CB 3.37Å; D560-L563 WeakPolarHBondContact O-CG 3.39Å; D560-L563 PolarHBondContact O-N 3.33Å; D560-L563 VanDerWaalsContact O-N 3.1Å; P561-L563 PolarHBondContact O-N 2.97Å
564	S	98.9	Very high	98.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-73.7	146.8	172.2	169	0	0	0	0	110.8	K274 S489 E494 P561 S562 Y566 A567	K274-S564 PolarHBondContact NZ-O 3.02Å; S489-S564 WeakPolarHBondContact O-CB 3.33Å; E494-S564 VanDerWaalsContact CD-OG 3.25Å; E494-S564 PolarHBondContact OE1-OG 2.89Å; E494-S564 VanDerWaalsContact OE1-OG 3.04Å; E494-S564 PolarHBondContact OE2-OG 3.1Å; P561-S564 PolarHBondContact O-N 2.81Å; S562-S564 VanDerWaalsContact C-N 3.34Å; S564-Y566 PolarHBondContact OG-N 2.74Å; S564-Y566 VanDerWaalsContact OG-N 3.08Å; S564-A567 VanDerWaalsContact OG-CB 3.31Å; S564-A567 WeakPolarHBondContact OG-CB 3.41Å; S564-A567 PolarHBondContact OG-N 2.75Å
565	L	98.8	Very high	98.3	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	30%	0.298	C	S	.	.	S	Bend	trans	-71.8	-38.5	170.3	-71.8	166.6	0	0	0	110.7	D234 R235 K274 S276 E494	D234-L565 HydrophobicContact CB-CD1 3.96Å; R235-L565 HydrophobicContact CG-CD1 4.28Å; R235-L565 HydrophobicContact CG-CD2 4.43Å; R235-L565 HydrophobicContact CG-CG 4.31Å; K274-L565 HydrophobicContact CB-CD2 3.73Å; K274-L565 HydrophobicContact CD-CD2 4.42Å; K274-L565 WeakPolarHBondContact CE-O 3.46Å; K274-L565 HydrophobicContact CG-CD2 4.43Å; S276-L565 WeakPolarHBondContact OG-CD1 3.49Å; E494-L565 WeakPolarHBondContact OE1-CB 3.38Å; E494-L565 PolarHBondContact OE1-N 3.48Å
566	Y	98.8	Very high	98.3	Very high	34 Å²	34	50.2 Å²	50.2	13%	0.133	29%	0.29	C	S	.	.	S	Bend	trans	-123.1	-4.5	-160.8	-52.1	-62.5	0	0	0	115.2	S276 F493 E494 S564 I568 H714 W717	S276-Y566 WeakPolarHBondContact CB-OH 3.43Å; S276-Y566 PolarHBondContact N-OH 2.89Å; S276-Y566 PolarHBondContact O-OH 2.83Å; F493-Y566 AromaticContact CE2-CD2 3.5Å; F493-Y566 HydrophobicContact CE2-CD2 3.5Å; F493-Y566 VanDerWaalsContact CE2-CD2 3.5Å; F493-Y566 HydrophobicContact CE2-CE2 4.17Å; F493-Y566 HydrophobicContact CE2-CG 4.17Å; F493-Y566 AromaticContact CZ-CD2 3.93Å; F493-Y566 HydrophobicContact CZ-CD2 3.93Å; F493-Y566 HydrophobicContact CZ-CG 4.16Å; E494-Y566 HydrophobicContact CG-CD2 3.85Å; E494-Y566 HydrophobicContact CG-CE2 4.36Å; E494-Y566 WeakPolarHBondContact OE1-CD2 3.35Å; E494-Y566 PolarHBondContact OE1-N 2.67Å; S564-Y566 PolarHBondContact OG-N 2.74Å; S564-Y566 VanDerWaalsContact OG-N 3.08Å; Y566-I568 VanDerWaalsContact C-N 3.29Å; Y566-I568 PolarHBondContact O-N 2.85Å; Y566-H714 AromaticContact CE1-CD2 3.75Å; Y566-H714 AromaticContact CZ-CD2 4Å; Y566-W717 AromaticContact CD1-CZ2 4Å; Y566-W717 HydrophobicContact CD1-CZ2 4Å; Y566-W717 HydrophobicContact CD2-CH2 4.3Å; Y566-W717 AromaticContact CD2-CZ2 3.95Å; Y566-W717 HydrophobicContact CD2-CZ2 3.95Å; Y566-W717 HydrophobicContact CE1-CH2 4.38Å; Y566-W717 AromaticContact CE1-CZ2 3.92Å; Y566-W717 HydrophobicContact CE1-CZ2 3.92Å; Y566-W717 AromaticContact CE2-CH2 3.8Å; Y566-W717 HydrophobicContact CE2-CH2 3.8Å; Y566-W717 AromaticContact CE2-CZ2 3.84Å; Y566-W717 HydrophobicContact CE2-CZ2 3.84Å; Y566-W717 HydrophobicContact CG-CZ2 4.01Å; Y566-W717 AromaticContact CZ-CH2 3.84Å; Y566-W717 AromaticContact CZ-CZ2 3.81Å
567	A	98.3	Very high	98.4	Very high	46 Å²	46	47.9 Å²	47.9	38%	0.38	26%	0.264	S	S	.	.	S	Bend	trans	-64.8	-34.4	177.9	0	0	0	0	0	112.6	T491 S564	T491-A567 HydrophobicContact CG2-CB 4.14Å; S564-A567 VanDerWaalsContact OG-CB 3.31Å; S564-A567 WeakPolarHBondContact OG-CB 3.41Å; S564-A567 PolarHBondContact OG-N 2.75Å
568	I	98.4	Very high	98.4	Very high	91 Å²	91	46.4 Å²	46.4	47%	0.467	26%	0.256	S	S	.	.	S	Bend	trans	-113.1	113	173.1	-60.7	170.9	0	0	0	107.2	P561 Y566 D570	P561-I568 HydrophobicContact CB-CD1 3.73Å; P561-I568 HydrophobicContact CB-CG1 4.09Å; Y566-I568 VanDerWaalsContact C-N 3.29Å; Y566-I568 PolarHBondContact O-N 2.85Å; I568-D570 PolarHBondContact O-N 3.29Å
569	P	97.6	Very high	98.4	Very high	122 Å²	122	40 Å²	40	79%	0.792	23%	0.228	S	C	*	.			trans	-59.3	133.5	175.3	-23.6	33.8	0	0	0	111.6
570	D	97.4	Very high	98.4	Very high	69 Å²	69	33.7 Å²	33.7	37%	0.369	20%	0.201	S	C	.	.			trans	-144.8	172.4	175.5	71	-0.1	0	0	0	111.8	G273 K274 I568	G273-D570 VanDerWaalsContact CA-OD1 3.28Å; G273-D570 WeakPolarHBondContact CA-OD1 3.48Å; K274-D570 WeakPolarHBondContact CE-OD2 3.28Å; K274-D570 WeakPolarHBondContact CG-OD2 3.16Å; K274-D570 PolarHBondContact N-OD1 2.83Å; K274-D570 PolarHBondContact N-OD2 2.87Å; I568-D570 PolarHBondContact O-N 3.29Å
571	G	96.8	Very high	98.4	Very high	44 Å²	44	33.7 Å²	33.7	45%	0.454	20%	0.201	S	C	.	.			trans	72.1	-169.5	179.9	0	0	0	0	0	115.1
572	D	97.4	Very high	98.4	Very high	85 Å²	85	31.5 Å²	31.5	46%	0.455	19%	0.187	S	C	.	.			trans	-143.1	-174.7	175.1	72.2	26.8	0	0	0	111.2	K574	D572-K574 WeakPolarHBondContact OD1-CA 3.22Å; D572-K574 WeakPolarHBondContact OD1-CB 3.5Å; D572-K574 PolarHBondContact OD1-N 2.89Å
573	V	98.7	Very high	98.4	Very high	12 Å²	12	30.8 Å²	30.8	7%	0.073	18%	0.181	C	C	.	.	S	Bend	trans	-88.7	-5.1	-178.8	-62.7	0	0	0	0	113.9	G575 R576 K601 V603 L708 M711 A712	V573-G575 PolarHBondContact O-N 2.88Å; V573-R576 WeakPolarHBondContact O-CB 3.27Å; V573-R576 WeakPolarHBondContact O-CG 3.45Å; V573-R576 PolarHBondContact O-N 2.99Å; V573-K601 HydrophobicContact CG2-CB 3.86Å; V573-V603 HydrophobicContact CB-CG2 3.81Å; V573-V603 HydrophobicContact CG2-CG2 3.59Å; V573-L708 HydrophobicContact CG2-CD2 4.36Å; V573-M711 HydrophobicContact CG1-CB 3.84Å; V573-A712 HydrophobicContact CG1-CB 3.9Å
574	K	98.7	Very high	98.4	Very high	87 Å²	87	33.7 Å²	33.7	38%	0.378	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	129.5	-173.8	-177.1	-179.4	170.8	-172.5	0	111	R242 D305 D572 R576	R242-K574 PolarHBondContact NH2-O 2.95Å; D305-K574 WeakPolarHBondContact OD1-CE 3.4Å; D305-K574 IonicContact OD1-NZ 3.39Å; D572-K574 WeakPolarHBondContact OD1-CA 3.22Å; D572-K574 WeakPolarHBondContact OD1-CB 3.5Å; D572-K574 PolarHBondContact OD1-N 2.89Å; K574-R576 VanDerWaalsContact C-N 3.29Å
575	G	98.2	Very high	98.4	Very high	8 Å²	8	38.9 Å²	38.9	8%	0.082	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	-6.8	-175.7	0	0	0	0	0	114.7	D305 V573 G602	D305-G575 WeakPolarHBondContact OD2-CA 3.47Å; V573-G575 PolarHBondContact O-N 2.88Å; G575-G602 PolarHBondContact N-O 2.91Å
576	R	98.7	Very high	98.4	Very high	23 Å²	23	38.6 Å²	38.6	9%	0.087	22%	0.22	C	C	.	.			trans	-64	158.1	167.9	-61.5	-70	-173	80.9	6.6	110	V573 K574 V603 H604 D638 M711 H714	V573-R576 WeakPolarHBondContact O-CB 3.27Å; V573-R576 WeakPolarHBondContact O-CG 3.45Å; V573-R576 PolarHBondContact O-N 2.99Å; K574-R576 VanDerWaalsContact C-N 3.29Å; R576-V603 HydrophobicContact CB-CG1 4.44Å; R576-V603 WeakPolarHBondContact O-CG1 3.31Å; R576-H604 PolarHBondContact O-N 2.94Å; R576-D638 WeakPolarHBondContact CA-OD2 3.46Å; R576-D638 HydrophobicContact CB-CB 4.15Å; R576-D638 VanDerWaalsContact CD-CG 3.43Å; R576-D638 WeakPolarHBondContact CD-OD1 3.47Å; R576-D638 WeakPolarHBondContact CD-OD2 3.37Å; R576-M711 HydrophobicContact CB-CE 3.85Å; R576-M711 PolarHBondContact NH1-O 2.94Å; R576-H714 PolarHBondContact NH1-ND1 3.36Å
577	V	98.8	Very high	98.4	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.4	-176.6	-172	0	0	0	0	110.3	H604 K606 V637 D638	V577-H604 CarbonylContact C-O 3.53Å; V577-H604 WeakPolarHBondContact CA-O 3.43Å; V577-H604 HydrophobicContact CG1-CB 4.41Å; V577-H604 HydrophobicContact CG2-CB 4.22Å; V577-K606 HydrophobicContact CG1-CD 3.92Å; V577-K606 HydrophobicContact CG1-CG 3.86Å; V577-V637 HydrophobicContact CB-CG1 4.46Å; V577-V637 HydrophobicContact CG1-CG1 3.99Å; V577-D638 PolarHBondContact N-OD2 2.85Å; V577-D638 WeakPolarHBondContact O-CB 3.08Å; V577-D638 PolarHBondContact O-N 2.87Å
578	V	98.8	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.1	176.4	179.2	0	0	0	0	110.1	L598 V603 H604 A605 K606 A639 I641 M711	V578-L598 HydrophobicContact CB-CD1 4.27Å; V578-L598 HydrophobicContact CG2-CD1 4.48Å; V578-L598 HydrophobicContact CG2-CD2 4.06Å; V578-V603 HydrophobicContact CG2-CG1 3.67Å; V578-H604 PolarHBondContact N-O 2.88Å; V578-A605 CarbonylContact O-C 3.5Å; V578-A605 WeakPolarHBondContact O-CA 3.18Å; V578-K606 PolarHBondContact O-N 3.02Å; V578-A639 WeakPolarHBondContact CA-O 3.46Å; V578-A639 HydrophobicContact CG2-CB 4.24Å; V578-I641 HydrophobicContact CG1-CB 4.36Å; V578-I641 HydrophobicContact CG1-CD1 3.62Å; V578-I641 HydrophobicContact CG1-CG1 3.58Å; V578-M711 HydrophobicContact CG2-CE 3.53Å; V578-M711 HydrophobicContact CG2-SD 3.67Å
579	A	98.9	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.3	166.4	0	0	0	0	0	110.1	L581 L608 V637 A639 V640 I641 Y659	A579-L581 HydrophobicContact CB-CD2 4.28Å; A579-L608 HydrophobicContact CB-CD1 3.77Å; A579-L608 HydrophobicContact CB-CG 4.45Å; A579-V637 HydrophobicContact CB-CB 4.34Å; A579-V637 HydrophobicContact CB-CG1 4.04Å; A579-V637 HydrophobicContact CB-CG2 3.81Å; A579-A639 PolarHBondContact N-O 3.29Å; A579-V640 HydrophobicContact CB-CG1 4.41Å; A579-V640 WeakPolarHBondContact O-CA 3.45Å; A579-I641 PolarHBondContact O-N 2.99Å; A579-Y659 HydrophobicContact CB-CE1 3.69Å; A579-Y659 VanDerWaalsContact CB-OH 3.3Å; A579-Y659 WeakPolarHBondContact CB-OH 3.34Å
580	I	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	110.1	170.1	-56.2	-178	0	0	0	107.3	L582 L591 I594 L595 L598 A605 K606 L607 L608 I641 P643	I580-L582 HydrophobicContact CG2-CD2 3.91Å; I580-L582 PolarHBondContact O-N 3.49Å; I580-L591 HydrophobicContact CD1-CD1 4.01Å; I580-L591 HydrophobicContact CG2-CD1 3.95Å; I580-I594 HydrophobicContact CD1-CG2 3.61Å; I580-I594 HydrophobicContact CG1-CG2 4.41Å; I580-L595 HydrophobicContact CD1-CD2 3.75Å; I580-L598 HydrophobicContact CD1-CD1 4.41Å; I580-A605 HydrophobicContact CD1-CB 3.76Å; I580-A605 HydrophobicContact CG1-CB 4.29Å; I580-K606 PolarHBondContact N-O 3.25Å; I580-L607 HydrophobicContact CB-CD2 3.92Å; I580-L607 HydrophobicContact CD1-CD2 3.89Å; I580-L607 HydrophobicContact CG1-CD2 4.34Å; I580-L607 HydrophobicContact CG2-CD2 4.29Å; I580-L608 PolarHBondContact O-N 3.1Å; I580-I641 WeakPolarHBondContact CA-O 3.45Å; I580-P643 HydrophobicContact CG2-CG 4Å
581	L	98.9	Very high	98.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	106.2	-178.1	-50	-171.4	0	0	0	109.5	A579 L608 F629 V640 I641 V642 P643 Y659 L660	A579-L581 HydrophobicContact CB-CD2 4.28Å; L581-L608 HydrophobicContact CD2-CB 4.12Å; L581-L608 HydrophobicContact CD2-CD1 4.08Å; L581-F629 HydrophobicContact CB-CE1 4.05Å; L581-F629 HydrophobicContact CD2-CD1 3.92Å; L581-F629 HydrophobicContact CD2-CE1 3.92Å; L581-F629 HydrophobicContact CG-CE1 4.45Å; L581-V640 HydrophobicContact CD1-CG1 3.91Å; L581-V640 HydrophobicContact CD2-CG1 4.29Å; L581-V640 HydrophobicContact CG-CG1 3.84Å; L581-I641 PolarHBondContact N-O 3.04Å; L581-V642 HydrophobicContact CB-CG1 4.5Å; L581-V642 HydrophobicContact CB-CG2 4.17Å; L581-V642 HydrophobicContact CD1-CG2 3.97Å; L581-V642 HydrophobicContact CG-CG2 4.17Å; L581-P643 WeakPolarHBondContact O-CD 3.48Å; L581-Y659 HydrophobicContact CD1-CD1 4.27Å; L581-Y659 HydrophobicContact CD1-CG 4.26Å; L581-Y659 HydrophobicContact CD2-CD1 4.09Å; L581-Y659 HydrophobicContact CD2-CD2 4.26Å; L581-Y659 HydrophobicContact CD2-CE1 4.18Å; L581-Y659 HydrophobicContact CD2-CE2 4.34Å; L581-Y659 HydrophobicContact CD2-CG 4.14Å; L581-L660 HydrophobicContact CD1-CD2 4.14Å; L581-L660 HydrophobicContact CD1-CG 4.31Å
582	L	98.8	Very high	98.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.			trans	-79.4	161.6	-178.6	-55.4	-174.2	0	0	0	111.9	I580 V586 L607 L608 Y609 V615 L623 I650	I580-L582 HydrophobicContact CG2-CD2 3.91Å; I580-L582 PolarHBondContact O-N 3.49Å; L582-V586 HydrophobicContact CB-CG2 3.97Å; L582-V586 HydrophobicContact CD2-CG2 3.95Å; L582-V586 HydrophobicContact CG-CG2 4.48Å; L582-L607 HydrophobicContact CD1-CB 3.9Å; L582-L607 HydrophobicContact CD1-CD1 4.44Å; L582-L607 HydrophobicContact CD2-CD2 4.36Å; L582-L607 HydrophobicContact CG-CB 4.36Å; L582-L608 WeakPolarHBondContact CB-O 3.25Å; L582-L608 PolarHBondContact N-O 2.85Å; L582-Y609 HydrophobicContact CB-CD2 4.23Å; L582-Y609 WeakPolarHBondContact O-CD2 3.41Å; L582-V615 HydrophobicContact CB-CG2 4.47Å; L582-V615 HydrophobicContact CD1-CG2 3.75Å; L582-L623 HydrophobicContact CD1-CB 4.3Å; L582-L623 HydrophobicContact CD1-CD1 4.27Å; L582-L623 HydrophobicContact CD2-CD1 4.46Å; L582-I650 WeakPolarHBondContact O-CG2 3.47Å
583	N	98.7	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.			trans	-122.5	176.6	162.9	55.3	80.7	0	0	0	108.8	E585 V586 N646 D649 I650	N583-E585 VanDerWaalsContact C-N 3.29Å; N583-E585 PolarHBondContact O-N 2.92Å; N583-E585 PolarHBondContact OD1-N 3.35Å; N583-E585 PolarHBondContact OD1-O 2.72Å; N583-E585 VanDerWaalsContact OD1-O 3.06Å; N583-V586 WeakPolarHBondContact O-CG2 3.4Å; N583-V586 WeakPolarHBondContact OD1-CA 3.18Å; N583-V586 PolarHBondContact OD1-N 2.77Å; N583-N646 WeakPolarHBondContact CB-O 3.46Å; N583-N646 PolarHBondContact OD1-N 2.92Å; N583-D649 WeakPolarHBondContact CA-OD2 3.47Å; N583-D649 HydrophobicContact CB-CB 4.26Å; N583-I650 HydrophobicContact CB-CD1 4.47Å; N583-I650 HydrophobicContact CB-CG1 4.32Å; N583-I650 HydrophobicContact CB-CG2 4.41Å
584	D	98	Very high	98.5	Very high	70 Å²	70	30.3 Å²	30.3	37%	0.374	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-18.6	-177.4	68.8	-14.7	0	0	0	115.7	N646 D649	D584-N646 VanDerWaalsContact OD1-CB 3.29Å; D584-N646 WeakPolarHBondContact OD1-CB 3.18Å; D584-N646 PolarHBondContact OD1-ND2 3.04Å; D584-D649 PolarHBondContact N-OD2 3.01Å
585	E	98.4	Very high	98.5	Very high	108 Å²	108	29.4 Å²	29.4	51%	0.505	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	66.9	178.5	-166.3	177.7	-157.3	0	0	110.6	N583 D618 G645 N646	N583-E585 VanDerWaalsContact C-N 3.29Å; N583-E585 PolarHBondContact O-N 2.92Å; N583-E585 PolarHBondContact OD1-N 3.35Å; N583-E585 PolarHBondContact OD1-O 2.72Å; N583-E585 VanDerWaalsContact OD1-O 3.06Å; E585-D618 HydrophobicContact CG-CB 4.24Å; E585-G645 WeakPolarHBondContact O-CA 3.48Å; E585-N646 HydrophobicContact CB-CB 4.07Å; E585-N646 PolarHBondContact O-N 2.89Å
586	V	98.6	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-64.3	139.7	-177.4	175.9	0	0	0	0	111	L582 N583 S588 L591 A617 D618 L623 P643	L582-V586 HydrophobicContact CB-CG2 3.97Å; L582-V586 HydrophobicContact CD2-CG2 3.95Å; L582-V586 HydrophobicContact CG-CG2 4.48Å; N583-V586 WeakPolarHBondContact O-CG2 3.4Å; N583-V586 WeakPolarHBondContact OD1-CA 3.18Å; N583-V586 PolarHBondContact OD1-N 2.77Å; V586-S588 PolarHBondContact O-N 3.28Å; V586-L591 HydrophobicContact CG1-CB 4.22Å; V586-L591 HydrophobicContact CG1-CD2 4.39Å; V586-A617 WeakPolarHBondContact O-CA 3.27Å; V586-A617 WeakPolarHBondContact O-CB 3.15Å; V586-D618 PolarHBondContact O-N 2.93Å; V586-L623 HydrophobicContact CB-CD1 4.35Å; V586-P643 HydrophobicContact CG1-CB 4.13Å; V586-P643 HydrophobicContact CG1-CG 3.84Å
587	R	98.7	Very high	98.5	Very high	90 Å²	90	36.3 Å²	36.3	34%	0.34	19%	0.192	S	C	.	.			trans	-67.4	103.7	171.5	-169.3	-178.4	-172.1	-174.1	4.6	110.4	A589 D590 L591 D618 C644 D697	R587-A589 HydrophobicContact CG-CB 4.46Å; R587-A589 PolarHBondContact O-N 2.97Å; R587-D590 HydrophobicContact CB-CB 4.44Å; R587-D590 WeakPolarHBondContact CD-OD2 3.47Å; R587-D590 IonicContact NH1-OD1 3.63Å; R587-D590 PolarHBondContact O-N 3.47Å; R587-D590 VanDerWaalsContact O-N 3.09Å; R587-L591 PolarHBondContact O-N 2.96Å; R587-D618 WeakPolarHBondContact CA-OD2 3.44Å; R587-C644 HydrophobicContact CB-CB 4.27Å; R587-C644 WeakPolarHBondContact CB-O 3.37Å; R587-C644 PolarHBondContact N-O 3.18Å; R587-D697 PolarHBondContact NH1-O 2.85Å
588	S	98.2	Very high	98.5	Very high	25 Å²	25	35.9 Å²	35.9	18%	0.175	19%	0.19	C	C	.	.	H	α-helix	trans	-54.1	-38.7	-177	54.7	0	0	0	0	113	V586 D590 L591 L592 D618 D619	V586-S588 PolarHBondContact O-N 3.28Å; S588-D590 PolarHBondContact O-N 2.76Å; S588-L591 PolarHBondContact O-N 3.42Å; S588-L592 WeakPolarHBondContact O-CB 3.39Å; S588-L592 PolarHBondContact O-N 2.84Å; S588-D618 WeakPolarHBondContact CB-OD1 3.44Å; S588-D618 PolarHBondContact N-OD1 3.3Å; S588-D618 PolarHBondContact OG-OD1 3.19Å; S588-D619 WeakPolarHBondContact CB-OD2 3.27Å
589	A	98.1	Very high	98.4	Very high	59 Å²	59	44.2 Å²	44.2	49%	0.488	23%	0.226	S	C	.	.	H	α-helix	trans	-60.6	-42.4	178.8	0	0	0	0	0	112.9	R587 A593	R587-A589 HydrophobicContact CG-CB 4.46Å; R587-A589 PolarHBondContact O-N 2.97Å; A589-A593 PolarHBondContact O-N 3Å
590	D	98.6	Very high	98.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-48.6	176.8	-72.4	-16.3	0	0	0	109.6	R587 S588 L592 A593 I594 P643 C644 S698 A699	R587-D590 HydrophobicContact CB-CB 4.44Å; R587-D590 WeakPolarHBondContact CD-OD2 3.47Å; R587-D590 IonicContact NH1-OD1 3.63Å; R587-D590 PolarHBondContact O-N 3.47Å; R587-D590 VanDerWaalsContact O-N 3.09Å; S588-D590 PolarHBondContact O-N 2.76Å; D590-L592 VanDerWaalsContact C-N 3.34Å; D590-L592 PolarHBondContact O-N 2.78Å; D590-A593 PolarHBondContact O-N 2.9Å; D590-I594 HydrophobicContact CB-CD1 4.46Å; D590-I594 WeakPolarHBondContact O-CD1 3.19Å; D590-I594 WeakPolarHBondContact O-CG1 3.34Å; D590-I594 PolarHBondContact O-N 3.26Å; D590-P643 HydrophobicContact CB-CB 3.92Å; D590-C644 WeakPolarHBondContact OD2-CB 3.36Å; D590-C644 PolarHBondContact OD2-N 2.85Å; D590-S698 WeakPolarHBondContact OD1-CA 3.35Å; D590-S698 WeakPolarHBondContact OD1-CB 3.3Å; D590-A699 HydrophobicContact CB-CB 3.94Å; D590-A699 PolarHBondContact OD1-N 3.5Å
591	L	98.5	Very high	98.4	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-40.2	-177.4	-173.5	62.6	0	0	0	112.3	I580 V586 R587 S588 I594 L595 L607 L623	I580-L591 HydrophobicContact CD1-CD1 4.01Å; I580-L591 HydrophobicContact CG2-CD1 3.95Å; V586-L591 HydrophobicContact CG1-CB 4.22Å; V586-L591 HydrophobicContact CG1-CD2 4.39Å; R587-L591 PolarHBondContact O-N 2.96Å; S588-L591 PolarHBondContact O-N 3.42Å; L591-I594 PolarHBondContact O-N 2.83Å; L591-L595 HydrophobicContact CD1-CD1 4.08Å; L591-L595 HydrophobicContact CD1-CG 4.05Å; L591-L595 HydrophobicContact CG-CD1 3.93Å; L591-L595 HydrophobicContact CG-CG 4.27Å; L591-L595 WeakPolarHBondContact O-CB 3.5Å; L591-L595 WeakPolarHBondContact O-CG 3.36Å; L591-L595 PolarHBondContact O-N 3.39Å; L591-L607 HydrophobicContact CD1-CD2 4.29Å; L591-L623 HydrophobicContact CD2-CD1 3.46Å; L591-L623 VanDerWaalsContact CD2-CD1 3.46Å; L591-L623 HydrophobicContact CD2-CD2 3.62Å; L591-L623 HydrophobicContact CD2-CG 4.2Å
592	L	97.9	Very high	98.3	Very high	122 Å²	122	54.9 Å²	54.9	64%	0.639	29%	0.294	S	S	*	.	H	α-helix	trans	-63.8	-43.2	177.8	-172.4	147.2	0	0	0	111.5	S588 D590 K596	S588-L592 WeakPolarHBondContact O-CB 3.39Å; S588-L592 PolarHBondContact O-N 2.84Å; D590-L592 VanDerWaalsContact C-N 3.34Å; D590-L592 PolarHBondContact O-N 2.78Å; L592-K596 WeakPolarHBondContact O-CB 3.48Å; L592-K596 PolarHBondContact O-N 2.69Å; L592-K596 VanDerWaalsContact O-N 3.09Å
593	A	98.3	Very high	98.3	Very high	24 Å²	24	55.2 Å²	55.2	20%	0.198	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-45.4	175.9	0	0	0	0	0	111.6	A589 D590 A597 A699	A589-A593 PolarHBondContact O-N 3Å; D590-A593 PolarHBondContact O-N 2.9Å; A593-A597 WeakPolarHBondContact O-CB 3.3Å; A593-A597 PolarHBondContact O-N 2.72Å; A593-A597 VanDerWaalsContact O-N 3.08Å; A593-A699 WeakPolarHBondContact CB-O 3.46Å
594	I	98.7	Very high	98.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.1	-58.7	177.8	-68.5	158.9	0	0	0	110.6	I580 D590 L591 K596 A597 L598 I641 P643 A699 M704	I580-I594 HydrophobicContact CD1-CG2 3.61Å; I580-I594 HydrophobicContact CG1-CG2 4.41Å; D590-I594 HydrophobicContact CB-CD1 4.46Å; D590-I594 WeakPolarHBondContact O-CD1 3.19Å; D590-I594 WeakPolarHBondContact O-CG1 3.34Å; D590-I594 PolarHBondContact O-N 3.26Å; L591-I594 PolarHBondContact O-N 2.83Å; I594-K596 VanDerWaalsContact C-N 3.28Å; I594-K596 PolarHBondContact O-N 2.97Å; I594-A597 PolarHBondContact O-N 3.33Å; I594-L598 HydrophobicContact CG2-CD1 3.8Å; I594-L598 HydrophobicContact CG2-CG 4.28Å; I594-L598 WeakPolarHBondContact O-CG 3.34Å; I594-L598 PolarHBondContact O-N 2.98Å; I594-I641 HydrophobicContact CD1-CG2 3.57Å; I594-I641 HydrophobicContact CG1-CG2 4.17Å; I594-I641 HydrophobicContact CG2-CD1 3.55Å; I594-P643 HydrophobicContact CD1-CB 4.09Å; I594-A699 HydrophobicContact CD1-CB 3.92Å; I594-A699 HydrophobicContact CG1-CB 3.74Å; I594-M704 HydrophobicContact CB-SD 4.17Å; I594-M704 HydrophobicContact CG1-SD 3.78Å; I594-M704 HydrophobicContact CG2-CE 4.22Å; I594-M704 HydrophobicContact CG2-SD 4.32Å
595	L	98.2	Very high	98.3	Very high	67 Å²	67	54.7 Å²	54.7	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-36.4	-175.1	-67.8	178.3	0	0	0	112.2	I580 L591 K599 A605	I580-L595 HydrophobicContact CD1-CD2 3.75Å; L591-L595 HydrophobicContact CD1-CD1 4.08Å; L591-L595 HydrophobicContact CD1-CG 4.05Å; L591-L595 HydrophobicContact CG-CD1 3.93Å; L591-L595 HydrophobicContact CG-CG 4.27Å; L591-L595 WeakPolarHBondContact O-CB 3.5Å; L591-L595 WeakPolarHBondContact O-CG 3.36Å; L591-L595 PolarHBondContact O-N 3.39Å; L595-K599 VanDerWaalsContact O-CB 3.27Å; L595-K599 WeakPolarHBondContact O-CB 3.43Å; L595-K599 PolarHBondContact O-N 3.17Å; L595-A605 HydrophobicContact CD2-CB 3.73Å
596	K	98.1	Very high	98.3	Very high	156 Å²	156	51.3 Å²	51.3	68%	0.678	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-47	175.8	-179.4	-179.8	175.2	-175.9	0	111.7	L592 I594 A600	L592-K596 WeakPolarHBondContact O-CB 3.48Å; L592-K596 PolarHBondContact O-N 2.69Å; L592-K596 VanDerWaalsContact O-N 3.09Å; I594-K596 VanDerWaalsContact C-N 3.28Å; I594-K596 PolarHBondContact O-N 2.97Å; K596-A600 WeakPolarHBondContact O-CB 3.35Å; K596-A600 PolarHBondContact O-N 3.45Å; K596-A600 VanDerWaalsContact O-N 3.1Å
597	A	98.6	Very high	98.3	Very high	21 Å²	21	52.4 Å²	52.4	17%	0.174	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-42.3	-178.9	0	0	0	0	0	112.1	A593 I594 A600 K601 M704 L708	A593-A597 WeakPolarHBondContact O-CB 3.3Å; A593-A597 PolarHBondContact O-N 2.72Å; A593-A597 VanDerWaalsContact O-N 3.08Å; I594-A597 PolarHBondContact O-N 3.33Å; A597-A600 PolarHBondContact O-N 2.72Å; A597-K601 PolarHBondContact O-N 3.3Å; A597-M704 HydrophobicContact CB-CB 3.54Å; A597-M704 HydrophobicContact CB-CE 3.94Å; A597-M704 HydrophobicContact CB-CG 3.68Å; A597-L708 HydrophobicContact CB-CD1 4.48Å
598	L	98.6	Very high	98.4	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-48.8	176	-65.5	-179.6	0	0	0	111.3	V578 I580 I594 A600 K601 G602 V603 A605 I641 M704 L708	V578-L598 HydrophobicContact CB-CD1 4.27Å; V578-L598 HydrophobicContact CG2-CD1 4.48Å; V578-L598 HydrophobicContact CG2-CD2 4.06Å; I580-L598 HydrophobicContact CD1-CD1 4.41Å; I594-L598 HydrophobicContact CG2-CD1 3.8Å; I594-L598 HydrophobicContact CG2-CG 4.28Å; I594-L598 WeakPolarHBondContact O-CG 3.34Å; I594-L598 PolarHBondContact O-N 2.98Å; L598-A600 VanDerWaalsContact C-N 3.29Å; L598-A600 PolarHBondContact O-N 2.87Å; L598-K601 CarbonylContact O-C 3.58Å; L598-K601 PolarHBondContact O-N 3.46Å; L598-G602 PolarHBondContact O-N 2.58Å; L598-G602 VanDerWaalsContact O-N 3.13Å; L598-V603 CarbonylContact C-O 3.5Å; L598-V603 HydrophobicContact CB-CB 4.17Å; L598-V603 HydrophobicContact CD2-CB 3.97Å; L598-V603 HydrophobicContact CD2-CG1 3.79Å; L598-V603 PolarHBondContact O-N 3.28Å; L598-A605 HydrophobicContact CD1-CB 3.95Å; L598-I641 HydrophobicContact CD1-CD1 4.39Å; L598-M704 HydrophobicContact CD2-CE 3.67Å; L598-M704 HydrophobicContact CG-CE 3.84Å; L598-L708 HydrophobicContact CD2-CD2 4.32Å
599	K	97.5	Very high	98.4	Very high	175 Å²	175	47.5 Å²	47.5	76%	0.761	26%	0.264	S	S	*	.	H	α-helix	trans	-59.5	-38.5	177.9	-175	173.4	-177.4	173.1	0	112.5	L595 K601 G602	L595-K599 VanDerWaalsContact O-CB 3.27Å; L595-K599 WeakPolarHBondContact O-CB 3.43Å; L595-K599 PolarHBondContact O-N 3.17Å; K599-K601 PolarHBondContact O-N 2.97Å; K599-G602 PolarHBondContact O-N 3.4Å; K599-G602 VanDerWaalsContact O-N 3.14Å
600	A	98.1	Very high	98.4	Very high	84 Å²	84	47.2 Å²	47.2	69%	0.694	26%	0.259	S	S	*	.	H	α-helix	trans	-63.6	-22.2	178.7	0	0	0	0	0	113.6	K596 A597 L598	K596-A600 WeakPolarHBondContact O-CB 3.35Å; K596-A600 PolarHBondContact O-N 3.45Å; K596-A600 VanDerWaalsContact O-N 3.1Å; A597-A600 PolarHBondContact O-N 2.72Å; L598-A600 VanDerWaalsContact C-N 3.29Å; L598-A600 PolarHBondContact O-N 2.87Å
601	K	98.3	Very high	98.4	Very high	119 Å²	119	53.3 Å²	53.3	52%	0.517	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	3	176.5	-63.3	-63.7	-174.1	172.3	0	113.7	V573 A597 L598 K599 V603 L708	V573-K601 HydrophobicContact CG2-CB 3.86Å; A597-K601 PolarHBondContact O-N 3.3Å; L598-K601 CarbonylContact O-C 3.58Å; L598-K601 PolarHBondContact O-N 3.46Å; K599-K601 PolarHBondContact O-N 2.97Å; K601-V603 VanDerWaalsContact C-N 3.28Å; K601-V603 HydrophobicContact CB-CG2 4.07Å; K601-V603 PolarHBondContact O-N 2.91Å; K601-L708 HydrophobicContact CB-CD2 4.2Å; K601-L708 HydrophobicContact CG-CD1 3.83Å; K601-L708 HydrophobicContact CG-CD2 4.09Å
602	G	98	Very high	98.4	Very high	22 Å²	22	58 Å²	58	23%	0.227	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	29.4	-175.2	0	0	0	0	0	113.4	G575 L598 K599	G575-G602 PolarHBondContact N-O 2.91Å; L598-G602 PolarHBondContact O-N 2.58Å; L598-G602 VanDerWaalsContact O-N 3.13Å; K599-G602 PolarHBondContact O-N 3.4Å; K599-G602 VanDerWaalsContact O-N 3.14Å
603	V	98.8	Very high	98.3	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.036	30%	0.295	C	S	.	.			trans	-92	132.7	172.7	-177	0	0	0	0	108.6	V573 R576 V578 L598 K601 L708 M711	V573-V603 HydrophobicContact CB-CG2 3.81Å; V573-V603 HydrophobicContact CG2-CG2 3.59Å; R576-V603 HydrophobicContact CB-CG1 4.44Å; R576-V603 WeakPolarHBondContact O-CG1 3.31Å; V578-V603 HydrophobicContact CG2-CG1 3.67Å; L598-V603 CarbonylContact C-O 3.5Å; L598-V603 HydrophobicContact CB-CB 4.17Å; L598-V603 HydrophobicContact CD2-CB 3.97Å; L598-V603 HydrophobicContact CD2-CG1 3.79Å; L598-V603 PolarHBondContact O-N 3.28Å; K601-V603 VanDerWaalsContact C-N 3.28Å; K601-V603 HydrophobicContact CB-CG2 4.07Å; K601-V603 PolarHBondContact O-N 2.91Å; V603-L708 HydrophobicContact CG2-CD2 3.98Å; V603-M711 HydrophobicContact CG1-CE 3.78Å
604	H	98.6	Very high	98.3	Very high	26 Å²	26	58.6 Å²	58.6	12%	0.12	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	154.9	-180	-58.8	-63.3	0	0	0	111.7	P20 D305 R576 V577 V578	P20-H604 WeakPolarHBondContact CD-ND1 3.32Å; P20-H604 HydrophobicContact CG-CB 4.44Å; D305-H604 IonicContact OD2-CD2 2.8Å; D305-H604 IonicContact OD2-CE1 2.8Å; D305-H604 PolarHBondContact OD2-CE1 3.42Å; D305-H604 IonicContact OD2-NE2 3.91Å; D305-H604 PolarHBondContact OD2-NE2 2.87Å; R576-H604 PolarHBondContact O-N 2.94Å; V577-H604 CarbonylContact C-O 3.53Å; V577-H604 WeakPolarHBondContact CA-O 3.43Å; V577-H604 HydrophobicContact CG1-CB 4.41Å; V577-H604 HydrophobicContact CG2-CB 4.22Å; V578-H604 PolarHBondContact N-O 2.88Å
605	A	98.5	Very high	98.3	Very high	34 Å²	34	58.9 Å²	58.9	28%	0.281	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138	176.1	0	0	0	0	0	110.8	V578 I580 L595 L598	V578-A605 CarbonylContact O-C 3.5Å; V578-A605 WeakPolarHBondContact O-CA 3.18Å; I580-A605 HydrophobicContact CD1-CB 3.76Å; I580-A605 HydrophobicContact CG1-CB 4.29Å; L595-A605 HydrophobicContact CD2-CB 3.73Å; L598-A605 HydrophobicContact CD1-CB 3.95Å
606	K	98.4	Very high	98.3	Very high	37 Å²	37	59 Å²	59	16%	0.161	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.6	167.5	-69.2	-179.7	177.1	177.4	0	108.5	V577 V578 I580 L608 A626 V637	V577-K606 HydrophobicContact CG1-CD 3.92Å; V577-K606 HydrophobicContact CG1-CG 3.86Å; V578-K606 PolarHBondContact O-N 3.02Å; I580-K606 PolarHBondContact N-O 3.25Å; K606-L608 HydrophobicContact CB-CD2 4.06Å; K606-L608 PolarHBondContact O-N 3.36Å; K606-A626 HydrophobicContact CB-CB 4.45Å; K606-V637 HydrophobicContact CD-CG1 4.48Å
607	L	98.6	Very high	98.3	Very high	23 Å²	23	51.9 Å²	51.9	12%	0.12	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113	176.3	-57.8	-168.4	0	0	0	109	I580 L582 L591 L623 A626	I580-L607 HydrophobicContact CB-CD2 3.92Å; I580-L607 HydrophobicContact CD1-CD2 3.89Å; I580-L607 HydrophobicContact CG1-CD2 4.34Å; I580-L607 HydrophobicContact CG2-CD2 4.29Å; L582-L607 HydrophobicContact CD1-CB 3.9Å; L582-L607 HydrophobicContact CD1-CD1 4.44Å; L582-L607 HydrophobicContact CD2-CD2 4.36Å; L582-L607 HydrophobicContact CG-CB 4.36Å; L591-L607 HydrophobicContact CD1-CD2 4.29Å; L607-L623 HydrophobicContact CD1-CB 4.42Å; L607-A626 PolarHBondContact O-N 3.42Å
608	L	98.8	Very high	98.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.9	-173	-54.5	-172.6	0	0	0	111.7	A579 I580 L581 L582 K606 A627 F629 A632 Y659	A579-L608 HydrophobicContact CB-CD1 3.77Å; A579-L608 HydrophobicContact CB-CG 4.45Å; I580-L608 PolarHBondContact O-N 3.1Å; L581-L608 HydrophobicContact CD2-CB 4.12Å; L581-L608 HydrophobicContact CD2-CD1 4.08Å; L582-L608 WeakPolarHBondContact CB-O 3.25Å; L582-L608 PolarHBondContact N-O 2.85Å; K606-L608 HydrophobicContact CB-CD2 4.06Å; K606-L608 PolarHBondContact O-N 3.36Å; L608-A627 WeakPolarHBondContact CA-O 3.44Å; L608-A627 HydrophobicContact CD2-CB 3.78Å; L608-F629 HydrophobicContact CB-CD1 3.87Å; L608-F629 HydrophobicContact CB-CE1 4.06Å; L608-F629 WeakPolarHBondContact O-CE1 3.25Å; L608-A632 HydrophobicContact CD1-CB 4.4Å; L608-A632 HydrophobicContact CD2-CB 3.93Å; L608-Y659 HydrophobicContact CD1-CE2 3.54Å; L608-Y659 VanDerWaalsContact CD1-OH 3.26Å; L608-Y659 WeakPolarHBondContact CD1-OH 3.34Å
609	Y	98.8	Very high	98.3	Very high	11 Å²	11	59.1 Å²	59.1	4%	0.043	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	-178.7	178.6	-167.3	-126.9	0	0	0	113	L582 R611 V615 I625 A627 T628 F629 D649 I650	L582-Y609 HydrophobicContact CB-CD2 4.23Å; L582-Y609 WeakPolarHBondContact O-CD2 3.41Å; Y609-R611 VanDerWaalsContact C-N 3.3Å; Y609-R611 HydrophobicContact CD1-CG 3.77Å; Y609-R611 HydrophobicContact CE1-CG 3.84Å; Y609-R611 PolarHBondContact O-N 2.89Å; Y609-V615 HydrophobicContact CD1-CG1 3.65Å; Y609-V615 HydrophobicContact CD2-CG1 4.43Å; Y609-V615 HydrophobicContact CE1-CG1 3.55Å; Y609-V615 HydrophobicContact CE2-CG1 4.39Å; Y609-V615 HydrophobicContact CG-CG1 4.1Å; Y609-I625 HydrophobicContact CD1-CD1 3.74Å; Y609-I625 HydrophobicContact CG-CD1 4.16Å; Y609-A627 PolarHBondContact N-O 2.93Å; Y609-T628 CarbonylContact O-C 3.58Å; Y609-T628 WeakPolarHBondContact O-CA 3.36Å; Y609-F629 HydrophobicContact CD2-CZ 4.48Å; Y609-F629 PolarHBondContact O-N 2.78Å; Y609-D649 VanDerWaalsContact CE2-OD2 3.24Å; Y609-D649 WeakPolarHBondContact CE2-OD2 3.35Å; Y609-D649 PolarHBondContact OH-OD1 2.94Å; Y609-D649 PolarHBondContact OH-OD2 3.33Å; Y609-I650 HydrophobicContact CE2-CG2 4.32Å
610	S	98.4	Very high	98.3	Very high	53 Å²	53	53.1 Å²	53.1	37%	0.371	31%	0.31	S	S	.	.	S	Bend	trans	-73.8	-19.1	177.5	60.8	0	0	0	0	113.7
611	R	98.5	Very high	98.3	Very high	130 Å²	130	52.1 Å²	52.1	49%	0.491	30%	0.296	S	S	.	.	S	Bend	trans	-143.7	165.5	176.4	60.2	167	-179.3	73.1	2.7	111.3	Y609 E614 I625	Y609-R611 VanDerWaalsContact C-N 3.3Å; Y609-R611 HydrophobicContact CD1-CG 3.77Å; Y609-R611 HydrophobicContact CE1-CG 3.84Å; Y609-R611 PolarHBondContact O-N 2.89Å; R611-E614 PolarHBondContact NH1-O 3.42Å; R611-E614 PolarHBondContact NH2-O 2.92Å; R611-I625 WeakPolarHBondContact O-CD1 3.38Å
612	M	98	Very high	98.3	Very high	106 Å²	106	50 Å²	50	52%	0.522	29%	0.293	S	S	.	.	S	Bend	trans	-76.6	178.8	170.6	-62.5	-60.2	-68.7	0	0	112	T628	M612-T628 HydrophobicContact CG-CG2 4.23Å; M612-T628 HydrophobicContact SD-CG2 4.15Å
613	G	97	Very high	98.3	Very high	43 Å²	43	49.6 Å²	49.6	44%	0.443	29%	0.285	S	S	.	.	S	Bend	trans	95.7	-129.6	179.7	0	0	0	0	0	110.7	I625	G613-I625 WeakPolarHBondContact O-CB 3.35Å; G613-I625 WeakPolarHBondContact O-CD1 3.47Å; G613-I625 WeakPolarHBondContact O-CG1 3.21Å; G613-I625 PolarHBondContact O-N 3.38Å
614	E	98.4	Very high	98.2	Very high	115 Å²	115	53.4 Å²	53.4	54%	0.537	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.1	-174.8	-63.2	168.5	168.3	0	0	111.4	R611 V622 L623	R611-E614 PolarHBondContact NH1-O 3.42Å; R611-E614 PolarHBondContact NH2-O 2.92Å; E614-V622 HydrophobicContact CB-CG1 3.77Å; E614-V622 HydrophobicContact CG-CG1 3.75Å; E614-V622 VanDerWaalsContact OE2-CG1 3.28Å; E614-V622 WeakPolarHBondContact OE2-CG1 3.16Å; E614-L623 WeakPolarHBondContact CA-O 3.01Å
615	V	98.3	Very high	98.2	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	162.4	161.7	-64.8	0	0	0	0	109.3	L582 Y609 L623 I625	L582-V615 HydrophobicContact CB-CG2 4.47Å; L582-V615 HydrophobicContact CD1-CG2 3.75Å; Y609-V615 HydrophobicContact CD1-CG1 3.65Å; Y609-V615 HydrophobicContact CD2-CG1 4.43Å; Y609-V615 HydrophobicContact CE1-CG1 3.55Å; Y609-V615 HydrophobicContact CE2-CG1 4.39Å; Y609-V615 HydrophobicContact CG-CG1 4.1Å; V615-L623 HydrophobicContact CG2-CB 3.94Å; V615-L623 HydrophobicContact CG2-CD1 4.23Å; V615-L623 PolarHBondContact N-O 3.07Å; V615-L623 PolarHBondContact O-N 2.63Å; V615-I625 HydrophobicContact CG1-CD1 4.11Å
616	T	98.6	Very high	98.2	Very high	71 Å²	71	53.7 Å²	53.7	44%	0.436	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.4	-177.8	-55.8	0	0	0	0	109.5	T621	T616-T621 CarbonylContact C-O 3.55Å; T616-T621 WeakPolarHBondContact CA-O 3.46Å
617	A	98.6	Very high	98.2	Very high	6 Å²	6	52.8 Å²	52.8	5%	0.05	32%	0.315	C	S	.	.			trans	-68.4	168.5	176.3	0	0	0	0	0	112.2	V586 D619 G620 T621 L623	V586-A617 WeakPolarHBondContact O-CA 3.27Å; V586-A617 WeakPolarHBondContact O-CB 3.15Å; A617-D619 PolarHBondContact O-N 3.2Å; A617-D619 VanDerWaalsContact O-N 3.11Å; A617-G620 PolarHBondContact O-N 3.17Å; A617-T621 PolarHBondContact N-O 2.99Å; A617-L623 HydrophobicContact CB-CD1 4.32Å
618	D	98.3	Very high	98.2	Very high	79 Å²	79	53.5 Å²	53.5	42%	0.422	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.6	179.3	66.5	-8.7	0	0	0	114.8	E585 V586 R587 S588	E585-D618 HydrophobicContact CG-CB 4.24Å; V586-D618 PolarHBondContact O-N 2.93Å; R587-D618 WeakPolarHBondContact CA-OD2 3.44Å; S588-D618 WeakPolarHBondContact CB-OD1 3.44Å; S588-D618 PolarHBondContact N-OD1 3.3Å; S588-D618 PolarHBondContact OG-OD1 3.19Å
619	D	98.1	Very high	98.2	Very high	96 Å²	96	53.7 Å²	53.7	51%	0.513	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.9	175.8	74.3	-12.7	0	0	0	114	S588 A617 T621	S588-D619 WeakPolarHBondContact CB-OD2 3.27Å; A617-D619 PolarHBondContact O-N 3.2Å; A617-D619 VanDerWaalsContact O-N 3.11Å; D619-T621 VanDerWaalsContact CG-OG1 3.26Å; D619-T621 WeakPolarHBondContact OD1-CB 3.48Å; D619-T621 PolarHBondContact OD1-N 3.38Å; D619-T621 PolarHBondContact OD1-OG1 3.22Å; D619-T621 PolarHBondContact OD2-OG1 3.42Å
620	G	97.9	Very high	98.1	Very high	48 Å²	48	55.8 Å²	55.8	50%	0.495	34%	0.34	S	S	.	.	S	Bend	trans	88.8	1.9	-176.7	0	0	0	0	0	114.9	A617 V622	A617-G620 PolarHBondContact O-N 3.17Å; G620-V622 PolarHBondContact O-N 3.26Å
621	T	98.4	Very high	98.1	Very high	63 Å²	63	56 Å²	56	39%	0.387	35%	0.351	S	S	.	.			trans	-64.5	126	176.2	-60.8	0	0	0	0	110.9	T616 A617 D619 L623	T616-T621 CarbonylContact C-O 3.55Å; T616-T621 WeakPolarHBondContact CA-O 3.46Å; A617-T621 PolarHBondContact N-O 2.99Å; D619-T621 VanDerWaalsContact CG-OG1 3.26Å; D619-T621 WeakPolarHBondContact OD1-CB 3.48Å; D619-T621 PolarHBondContact OD1-N 3.38Å; D619-T621 PolarHBondContact OD1-OG1 3.22Å; D619-T621 PolarHBondContact OD2-OG1 3.42Å; T621-L623 HydrophobicContact CG2-CD2 3.86Å
622	V	98.3	Very high	98.1	Very high	76 Å²	76	50.2 Å²	50.2	46%	0.461	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.9	174.9	-178.6	0	0	0	0	109.6	E614 G620	E614-V622 HydrophobicContact CB-CG1 3.77Å; E614-V622 HydrophobicContact CG-CG1 3.75Å; E614-V622 VanDerWaalsContact OE2-CG1 3.28Å; E614-V622 WeakPolarHBondContact OE2-CG1 3.16Å; G620-V622 PolarHBondContact O-N 3.26Å
623	L	98.1	Very high	98.1	Very high	13 Å²	13	46 Å²	46	7%	0.068	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.3	-176.3	-59.3	176.9	0	0	0	110.2	L582 V586 L591 L607 E614 V615 A617 T621	L582-L623 HydrophobicContact CD1-CB 4.3Å; L582-L623 HydrophobicContact CD1-CD1 4.27Å; L582-L623 HydrophobicContact CD2-CD1 4.46Å; V586-L623 HydrophobicContact CB-CD1 4.35Å; L591-L623 HydrophobicContact CD2-CD1 3.46Å; L591-L623 VanDerWaalsContact CD2-CD1 3.46Å; L591-L623 HydrophobicContact CD2-CD2 3.62Å; L591-L623 HydrophobicContact CD2-CG 4.2Å; L607-L623 HydrophobicContact CD1-CB 4.42Å; E614-L623 WeakPolarHBondContact CA-O 3.01Å; V615-L623 HydrophobicContact CG2-CB 3.94Å; V615-L623 HydrophobicContact CG2-CD1 4.23Å; V615-L623 PolarHBondContact N-O 3.07Å; V615-L623 PolarHBondContact O-N 2.63Å; A617-L623 HydrophobicContact CB-CD1 4.32Å; T621-L623 HydrophobicContact CG2-CD2 3.86Å
624	P	97	Very high	98.2	Very high	85 Å²	85	43.9 Å²	43.9	55%	0.552	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.4	174.7	29.7	-33.7	0	0	0	110.5
625	I	98.1	Very high	98.3	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.062	27%	0.265	C	S	.	.			trans	-91.3	123.2	-175.5	-57.6	160.4	0	0	0	109	Y609 R611 G613 V615 A627	Y609-I625 HydrophobicContact CD1-CD1 3.74Å; Y609-I625 HydrophobicContact CG-CD1 4.16Å; R611-I625 WeakPolarHBondContact O-CD1 3.38Å; G613-I625 WeakPolarHBondContact O-CB 3.35Å; G613-I625 WeakPolarHBondContact O-CD1 3.47Å; G613-I625 WeakPolarHBondContact O-CG1 3.21Å; G613-I625 PolarHBondContact O-N 3.38Å; V615-I625 HydrophobicContact CG1-CD1 4.11Å; I625-A627 VanDerWaalsContact CG2-O 3.27Å; I625-A627 WeakPolarHBondContact CG2-O 3.37Å
626	A	97.4	Very high	98.3	Very high	55 Å²	55	38.7 Å²	38.7	46%	0.455	27%	0.266	S	S	.	.			trans	-74.9	-39.8	-178.4	0	0	0	0	0	112.1	K606 L607	K606-A626 HydrophobicContact CB-CB 4.45Å; L607-A626 PolarHBondContact O-N 3.42Å
627	A	98.1	Very high	98.3	Very high	18 Å²	18	35.3 Å²	35.3	15%	0.149	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	167.5	178	0	0	0	0	0	111.3	L608 Y609 I625 A632	L608-A627 WeakPolarHBondContact CA-O 3.44Å; L608-A627 HydrophobicContact CD2-CB 3.78Å; Y609-A627 PolarHBondContact N-O 2.93Å; I625-A627 VanDerWaalsContact CG2-O 3.27Å; I625-A627 WeakPolarHBondContact CG2-O 3.37Å; A627-A632 HydrophobicContact CB-CB 3.52Å
628	T	98.7	Very high	98.3	Very high	37 Å²	37	35.1 Å²	35.1	23%	0.227	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	162.3	167.4	63.9	0	0	0	0	111.5	Y609 M612 A630 G631 A632	Y609-T628 CarbonylContact O-C 3.58Å; Y609-T628 WeakPolarHBondContact O-CA 3.36Å; M612-T628 HydrophobicContact CG-CG2 4.23Å; M612-T628 HydrophobicContact SD-CG2 4.15Å; T628-A630 VanDerWaalsContact C-N 3.28Å; T628-A630 PolarHBondContact O-N 3.38Å; T628-G631 PolarHBondContact O-N 3.42Å; T628-G631 VanDerWaalsContact O-N 3.08Å; T628-G631 PolarHBondContact OG1-N 3.47Å; T628-G631 VanDerWaalsContact OG1-N 3.07Å; T628-A632 PolarHBondContact O-N 3.21Å
629	F	98.7	Very high	98.3	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.018	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-45.9	173.9	-55.7	-44.1	0	0	0	112.5	L581 L608 Y609 A632 I650 D655 A656 Y659	L581-F629 HydrophobicContact CB-CE1 4.05Å; L581-F629 HydrophobicContact CD2-CD1 3.92Å; L581-F629 HydrophobicContact CD2-CE1 3.92Å; L581-F629 HydrophobicContact CG-CE1 4.45Å; L608-F629 HydrophobicContact CB-CD1 3.87Å; L608-F629 HydrophobicContact CB-CE1 4.06Å; L608-F629 WeakPolarHBondContact O-CE1 3.25Å; Y609-F629 HydrophobicContact CD2-CZ 4.48Å; Y609-F629 PolarHBondContact O-N 2.78Å; F629-A632 CarbonylContact O-C 3.51Å; F629-I650 HydrophobicContact CE2-CG2 4.34Å; F629-I650 HydrophobicContact CZ-CG2 4.14Å; F629-D655 HydrophobicContact CB-CB 3.78Å; F629-D655 HydrophobicContact CD2-CB 4.2Å; F629-D655 HydrophobicContact CG-CB 4.46Å; F629-A656 HydrophobicContact CD2-CB 4.09Å; F629-A656 HydrophobicContact CE2-CB 3.84Å; F629-A656 HydrophobicContact CZ-CB 4.2Å; F629-Y659 HydrophobicContact CB-CD2 4.23Å
630	A	98.4	Very high	98.4	Very high	55 Å²	55	26.8 Å²	26.8	46%	0.455	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-29	178	0	0	0	0	0	113.6	T628	T628-A630 VanDerWaalsContact C-N 3.28Å; T628-A630 PolarHBondContact O-N 3.38Å
631	G	97.9	Very high	98.4	Very high	58 Å²	58	24.5 Å²	24.5	60%	0.598	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-30.3	-178.8	0	0	0	0	0	113.9	T628	T628-G631 PolarHBondContact O-N 3.42Å; T628-G631 VanDerWaalsContact O-N 3.08Å; T628-G631 PolarHBondContact OG1-N 3.47Å; T628-G631 VanDerWaalsContact OG1-N 3.07Å
632	A	98.4	Very high	98.5	Very high	9 Å²	9	21.5 Å²	21.5	7%	0.074	16%	0.157	C	C	.	.	S	Bend	trans	-128.3	70.6	174.1	0	0	0	0	0	110.1	L608 A627 T628 F629 Y659	L608-A632 HydrophobicContact CD1-CB 4.4Å; L608-A632 HydrophobicContact CD2-CB 3.93Å; A627-A632 HydrophobicContact CB-CB 3.52Å; T628-A632 PolarHBondContact O-N 3.21Å; F629-A632 CarbonylContact O-C 3.51Å; A632-Y659 WeakPolarHBondContact O-CE2 3.49Å; A632-Y659 PolarHBondContact O-OH 2.76Å
633	P	98.8	Very high	98.5	Very high	16 Å²	16	17.9 Å²	17.9	10%	0.104	14%	0.135	C	C	.	.			trans	-62.2	166.1	-173.7	28.1	-35.6	0	0	0	111.5	R288 L635 T636 Y659	R288-P633 HydrophobicContact CB-CG 4.07Å; R288-P633 HydrophobicContact CG-CG 4.06Å; P633-L635 HydrophobicContact CB-CG 4.41Å; P633-L635 HydrophobicContact CG-CD1 4.33Å; P633-L635 HydrophobicContact CG-CG 4.39Å; P633-L635 PolarHBondContact O-N 3.29Å; P633-T636 HydrophobicContact CG-CG2 4.31Å; P633-T636 PolarHBondContact O-N 3.18Å; P633-T636 PolarHBondContact O-OG1 3.2Å; P633-Y659 PolarHBondContact O-OH 2.98Å
634	S	98.9	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-55.8	-26.6	-174.3	80.4	0	0	0	0	113.3	T636 V637 Y659 E662 A663 K668	S634-T636 PolarHBondContact O-N 2.86Å; S634-T636 VanDerWaalsContact O-N 3.13Å; S634-V637 VanDerWaalsContact O-CG2 3.25Å; S634-V637 WeakPolarHBondContact O-CG2 3.43Å; S634-V637 PolarHBondContact O-N 3.21Å; S634-Y659 VanDerWaalsContact CA-CZ 3.42Å; S634-Y659 WeakPolarHBondContact CA-OH 3.43Å; S634-Y659 VanDerWaalsContact CB-CE1 3.43Å; S634-Y659 VanDerWaalsContact N-CZ 3.3Å; S634-Y659 PolarHBondContact N-OH 3.28Å; S634-E662 WeakPolarHBondContact OG-CB 3.5Å; S634-E662 WeakPolarHBondContact OG-CG 3.42Å; S634-E662 PolarHBondContact OG-OE2 3.02Å; S634-A663 PolarHBondContact OG-N 3.39Å; S634-K668 PolarHBondContact O-NZ 3.25Å
635	L	98.8	Very high	98.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-49.3	-33.8	172.6	-47.7	179.2	0	0	0	113.5	E281 K284 L285 R288 P633 V637 E662 H666	E281-L635 HydrophobicContact CB-CD2 4.44Å; E281-L635 HydrophobicContact CG-CD2 4.03Å; K284-L635 HydrophobicContact CB-CD1 3.62Å; K284-L635 HydrophobicContact CB-CD2 4.23Å; L285-L635 HydrophobicContact CB-CB 4.38Å; L285-L635 HydrophobicContact CB-CD1 4.33Å; L285-L635 HydrophobicContact CD1-CB 3.95Å; R288-L635 HydrophobicContact CB-CD1 4.17Å; R288-L635 HydrophobicContact CG-CD1 3.69Å; P633-L635 HydrophobicContact CB-CG 4.41Å; P633-L635 HydrophobicContact CG-CD1 4.33Å; P633-L635 HydrophobicContact CG-CG 4.39Å; P633-L635 PolarHBondContact O-N 3.29Å; L635-V637 VanDerWaalsContact C-N 3.34Å; L635-V637 PolarHBondContact O-N 2.76Å; L635-E662 HydrophobicContact CD2-CG 4.09Å; L635-H666 WeakPolarHBondContact CD2-CE1 3.38Å
636	T	98.8	Very high	98.6	Very high	11 Å²	11	17.6 Å²	17.6	7%	0.067	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-87.4	-0.4	-171.1	66.7	0	0	0	0	114.4	L285 P633 S634	L285-T636 HydrophobicContact CD1-CG2 4.06Å; P633-T636 HydrophobicContact CG-CG2 4.31Å; P633-T636 PolarHBondContact O-N 3.18Å; P633-T636 PolarHBondContact O-OG1 3.2Å; S634-T636 PolarHBondContact O-N 2.86Å; S634-T636 VanDerWaalsContact O-N 3.13Å
637	V	98.9	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	12%	0.117	C	C	.	.			trans	-130.4	165.3	-176.8	-62.3	0	0	0	0	111.4	V577 A579 K606 S634 L635 V640 Y659 K668	V577-V637 HydrophobicContact CB-CG1 4.46Å; V577-V637 HydrophobicContact CG1-CG1 3.99Å; A579-V637 HydrophobicContact CB-CB 4.34Å; A579-V637 HydrophobicContact CB-CG1 4.04Å; A579-V637 HydrophobicContact CB-CG2 3.81Å; K606-V637 HydrophobicContact CD-CG1 4.48Å; S634-V637 VanDerWaalsContact O-CG2 3.25Å; S634-V637 WeakPolarHBondContact O-CG2 3.43Å; S634-V637 PolarHBondContact O-N 3.21Å; L635-V637 VanDerWaalsContact C-N 3.34Å; L635-V637 PolarHBondContact O-N 2.76Å; V637-V640 HydrophobicContact CG2-CG2 4.5Å; V637-Y659 HydrophobicContact CG2-CE1 4.29Å; V637-K668 VanDerWaalsContact O-CE 3.32Å; V637-K668 WeakPolarHBondContact O-CE 3.38Å; V637-K668 PolarHBondContact O-NZ 3.5Å
638	D	98.9	Very high	98.6	Very high	2 Å²	2	18 Å²	18	1%	0.011	14%	0.139	C	C	.	.	S	Bend	trans	-97.8	-23.4	-176.5	-60.4	-73.9	0	0	0	113	R239 R576 V577 M711	R239-D638 IonicContact CZ-OD1 3.42Å; R239-D638 IonicContact CZ-OD2 2.67Å; R239-D638 IonicContact NE-OD1 2.69Å; R239-D638 PolarHBondContact NE-OD1 2.87Å; R239-D638 IonicContact NE-OD2 2.72Å; R239-D638 IonicContact NH2-OD1 3.81Å; R239-D638 PolarHBondContact NH2-OD1 2.97Å; R239-D638 IonicContact NH2-OD2 2.67Å; R239-D638 PolarHBondContact NH2-OD2 2.56Å; R576-D638 WeakPolarHBondContact CA-OD2 3.46Å; R576-D638 HydrophobicContact CB-CB 4.15Å; R576-D638 VanDerWaalsContact CD-CG 3.43Å; R576-D638 WeakPolarHBondContact CD-OD1 3.47Å; R576-D638 WeakPolarHBondContact CD-OD2 3.37Å; V577-D638 PolarHBondContact N-OD2 2.85Å; V577-D638 WeakPolarHBondContact O-CB 3.08Å; V577-D638 PolarHBondContact O-N 2.87Å; D638-M711 HydrophobicContact CB-CE 4.19Å
639	A	98.9	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	168.6	175.1	0	0	0	0	0	111.4	V578 A579 P669 L707 M711	V578-A639 WeakPolarHBondContact CA-O 3.46Å; V578-A639 HydrophobicContact CG2-CB 4.24Å; A579-A639 PolarHBondContact N-O 3.29Å; A639-P669 WeakPolarHBondContact CA-O 3.25Å; A639-P669 HydrophobicContact CB-CB 4.06Å; A639-P669 HydrophobicContact CB-CG 4.4Å; A639-P669 WeakPolarHBondContact CB-O 3.44Å; A639-L707 HydrophobicContact CB-CD1 4.28Å; A639-M711 HydrophobicContact CB-CE 4.25Å; A639-M711 HydrophobicContact CB-CG 3.9Å; A639-M711 HydrophobicContact CB-SD 3.87Å
640	V	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.5	179.3	-169.5	0	0	0	0	110.6	A579 L581 V637 Y659 L660 A663 P669 I670 A671	A579-V640 HydrophobicContact CB-CG1 4.41Å; A579-V640 WeakPolarHBondContact O-CA 3.45Å; L581-V640 HydrophobicContact CD1-CG1 3.91Å; L581-V640 HydrophobicContact CD2-CG1 4.29Å; L581-V640 HydrophobicContact CG-CG1 3.84Å; V637-V640 HydrophobicContact CG2-CG2 4.5Å; V640-Y659 HydrophobicContact CG1-CD1 4.07Å; V640-Y659 HydrophobicContact CG1-CE1 4.21Å; V640-Y659 HydrophobicContact CG2-CD1 3.91Å; V640-Y659 HydrophobicContact CG2-CE1 3.71Å; V640-L660 HydrophobicContact CB-CD2 4.32Å; V640-L660 HydrophobicContact CG1-CD2 3.74Å; V640-A663 HydrophobicContact CG2-CB 3.6Å; V640-P669 PolarHBondContact N-O 3.26Å; V640-P669 VanDerWaalsContact N-O 3.1Å; V640-I670 CarbonylContact O-C 3.5Å; V640-I670 WeakPolarHBondContact O-CA 3.44Å; V640-A671 PolarHBondContact O-N 3.34Å
641	I	98.9	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.3	173.1	-53.9	172.1	0	0	0	108.9	V578 A579 I580 L581 I594 L598 A671 F703 M704 L707	V578-I641 HydrophobicContact CG1-CB 4.36Å; V578-I641 HydrophobicContact CG1-CD1 3.62Å; V578-I641 HydrophobicContact CG1-CG1 3.58Å; A579-I641 PolarHBondContact O-N 2.99Å; I580-I641 WeakPolarHBondContact CA-O 3.45Å; L581-I641 PolarHBondContact N-O 3.04Å; I594-I641 HydrophobicContact CD1-CG2 3.57Å; I594-I641 HydrophobicContact CG1-CG2 4.17Å; I594-I641 HydrophobicContact CG2-CD1 3.55Å; L598-I641 HydrophobicContact CD1-CD1 4.39Å; I641-A671 CarbonylContact C-O 3.54Å; I641-A671 WeakPolarHBondContact CA-O 3.26Å; I641-A671 HydrophobicContact CG1-CB 4.15Å; I641-A671 HydrophobicContact CG2-CB 4.37Å; I641-F703 HydrophobicContact CG2-CE1 4.27Å; I641-M704 HydrophobicContact CD1-CE 4.07Å; I641-M704 HydrophobicContact CD1-SD 4.29Å; I641-L707 HydrophobicContact CD1-CD2 3.36Å; I641-L707 HydrophobicContact CG1-CD2 3.47Å; I641-L707 VanDerWaalsContact CG1-CD2 3.47Å
642	V	98.9	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	101.7	172.2	-168.3	0	0	0	0	108.5	L581 I647 I650 L660 A671 L672 A673 A676 F679	L581-V642 HydrophobicContact CB-CG1 4.5Å; L581-V642 HydrophobicContact CB-CG2 4.17Å; L581-V642 HydrophobicContact CD1-CG2 3.97Å; L581-V642 HydrophobicContact CG-CG2 4.17Å; V642-I647 HydrophobicContact CG1-CD1 4.18Å; V642-I650 HydrophobicContact CG1-CD1 4.19Å; V642-L660 HydrophobicContact CG2-CD1 4.4Å; V642-L660 HydrophobicContact CG2-CD2 3.99Å; V642-A671 PolarHBondContact N-O 2.8Å; V642-L672 HydrophobicContact CB-CD2 3.89Å; V642-L672 HydrophobicContact CG2-CD2 3.76Å; V642-A673 PolarHBondContact O-N 2.96Å; V642-A676 HydrophobicContact CB-CB 3.79Å; V642-A676 HydrophobicContact CG1-CB 3.6Å; V642-A676 VanDerWaalsContact O-CB 3.3Å; V642-A676 WeakPolarHBondContact O-CB 3.41Å; V642-F679 HydrophobicContact CG1-CD2 4.24Å; V642-F679 HydrophobicContact CG1-CE2 4.02Å
643	P	98.8	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.152	C	C	.	.			trans	-68	161.3	174	30	-34.6	0	0	0	110.8	I580 L581 V586 D590 I594 I647	I580-P643 HydrophobicContact CG2-CG 4Å; L581-P643 WeakPolarHBondContact O-CD 3.48Å; V586-P643 HydrophobicContact CG1-CB 4.13Å; V586-P643 HydrophobicContact CG1-CG 3.84Å; D590-P643 HydrophobicContact CB-CB 3.92Å; I594-P643 HydrophobicContact CD1-CB 4.09Å; P643-I647 WeakPolarHBondContact O-CD1 3.4Å
644	C	98.6	Very high	98.5	Very high	18 Å²	18	25.6 Å²	25.6	12%	0.122	17%	0.172	C	C	.	.			trans	-72.8	177.3	173	-160.3	0	0	0	0	111.1	R587 D590 D675	R587-C644 HydrophobicContact CB-CB 4.27Å; R587-C644 WeakPolarHBondContact CB-O 3.37Å; R587-C644 PolarHBondContact N-O 3.18Å; D590-C644 WeakPolarHBondContact OD2-CB 3.36Å; D590-C644 PolarHBondContact OD2-N 2.85Å; C644-D675 PolarHBondContact SG-N 3.39Å
645	G	98	Very high	98.5	Very high	27 Å²	27	29.8 Å²	29.8	28%	0.278	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	145.2	-145.7	-177.6	0	0	0	0	0	109.4	E585 I647	E585-G645 WeakPolarHBondContact O-CA 3.48Å; G645-I647 VanDerWaalsContact C-N 3.25Å; G645-I647 PolarHBondContact O-N 3.49Å
646	N	98.3	Very high	98.5	Very high	58 Å²	58	29.7 Å²	29.7	31%	0.31	19%	0.194	S	C	.	.			trans	-76.8	71.2	169.5	-177.3	21.5	0	0	0	111.7	N583 D584 E585 A648 D649	N583-N646 WeakPolarHBondContact CB-O 3.46Å; N583-N646 PolarHBondContact OD1-N 2.92Å; D584-N646 VanDerWaalsContact OD1-CB 3.29Å; D584-N646 WeakPolarHBondContact OD1-CB 3.18Å; D584-N646 PolarHBondContact OD1-ND2 3.04Å; E585-N646 HydrophobicContact CB-CB 4.07Å; E585-N646 PolarHBondContact O-N 2.89Å; N646-A648 PolarHBondContact O-N 2.71Å; N646-A648 VanDerWaalsContact O-N 3.09Å; N646-D649 VanDerWaalsContact O-CB 3.24Å; N646-D649 WeakPolarHBondContact O-CB 3.26Å; N646-D649 PolarHBondContact O-N 2.93Å; N646-D649 VanDerWaalsContact O-N 3.09Å
647	I	98.6	Very high	98.5	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.4	-177.9	-67	-65	0	0	0	113.1	V642 P643 G645 D649 I650 A651 D675 A676 F679	V642-I647 HydrophobicContact CG1-CD1 4.18Å; P643-I647 WeakPolarHBondContact O-CD1 3.4Å; G645-I647 VanDerWaalsContact C-N 3.25Å; G645-I647 PolarHBondContact O-N 3.49Å; I647-D649 PolarHBondContact O-N 2.91Å; I647-D649 VanDerWaalsContact O-N 3.17Å; I647-I650 HydrophobicContact CD1-CD1 4.43Å; I647-I650 PolarHBondContact O-N 3.39Å; I647-I650 VanDerWaalsContact O-N 3.09Å; I647-A651 HydrophobicContact CG2-CB 4.36Å; I647-A651 WeakPolarHBondContact O-CB 3.32Å; I647-A651 PolarHBondContact O-N 3.1Å; I647-D675 HydrophobicContact CB-CB 4.16Å; I647-D675 HydrophobicContact CG1-CB 3.79Å; I647-A676 HydrophobicContact CD1-CB 3.93Å; I647-F679 HydrophobicContact CG2-CE2 4.07Å
648	A	97.9	Very high	98.5	Very high	75 Å²	75	34.7 Å²	34.7	62%	0.62	22%	0.215	S	C	*	.	H	α-helix	trans	-59.1	-26.9	177.1	0	0	0	0	0	113	N646 I650	N646-A648 PolarHBondContact O-N 2.71Å; N646-A648 VanDerWaalsContact O-N 3.09Å; A648-I650 VanDerWaalsContact C-N 3.32Å; A648-I650 PolarHBondContact O-N 2.75Å
649	D	98.4	Very high	98.5	Very high	53 Å²	53	34.8 Å²	34.8	28%	0.283	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-37.7	175.2	173.4	49.1	0	0	0	112.9	N583 D584 Y609 N646 I647	N583-D649 WeakPolarHBondContact CA-OD2 3.47Å; N583-D649 HydrophobicContact CB-CB 4.26Å; D584-D649 PolarHBondContact N-OD2 3.01Å; Y609-D649 VanDerWaalsContact CE2-OD2 3.24Å; Y609-D649 WeakPolarHBondContact CE2-OD2 3.35Å; Y609-D649 PolarHBondContact OH-OD1 2.94Å; Y609-D649 PolarHBondContact OH-OD2 3.33Å; N646-D649 VanDerWaalsContact O-CB 3.24Å; N646-D649 WeakPolarHBondContact O-CB 3.26Å; N646-D649 PolarHBondContact O-N 2.93Å; N646-D649 VanDerWaalsContact O-N 3.09Å; I647-D649 PolarHBondContact O-N 2.91Å; I647-D649 VanDerWaalsContact O-N 3.17Å
650	I	98.5	Very high	98.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-112.4	-8.6	-176.4	59.7	165.3	0	0	0	114.4	L582 N583 Y609 F629 V642 I647 A648 D652 N653 A656 F679	L582-I650 WeakPolarHBondContact O-CG2 3.47Å; N583-I650 HydrophobicContact CB-CD1 4.47Å; N583-I650 HydrophobicContact CB-CG1 4.32Å; N583-I650 HydrophobicContact CB-CG2 4.41Å; Y609-I650 HydrophobicContact CE2-CG2 4.32Å; F629-I650 HydrophobicContact CE2-CG2 4.34Å; F629-I650 HydrophobicContact CZ-CG2 4.14Å; V642-I650 HydrophobicContact CG1-CD1 4.19Å; I647-I650 HydrophobicContact CD1-CD1 4.43Å; I647-I650 PolarHBondContact O-N 3.39Å; I647-I650 VanDerWaalsContact O-N 3.09Å; A648-I650 VanDerWaalsContact C-N 3.32Å; A648-I650 PolarHBondContact O-N 2.75Å; I650-D652 VanDerWaalsContact C-N 3.3Å; I650-D652 PolarHBondContact O-N 3.31Å; I650-N653 WeakPolarHBondContact O-CB 3.3Å; I650-N653 PolarHBondContact O-N 3.49Å; I650-N653 VanDerWaalsContact O-N 3.12Å; I650-A656 HydrophobicContact CB-CB 4.32Å; I650-F679 HydrophobicContact CD1-CE2 4.05Å; I650-F679 HydrophobicContact CD1-CZ 4.04Å; I650-F679 HydrophobicContact CG1-CE2 4.27Å; I650-F679 HydrophobicContact CG1-CZ 3.95Å
651	A	98	Very high	98.5	Very high	35 Å²	35	36.2 Å²	36.2	29%	0.289	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-38.8	-176.2	0	0	0	0	0	113.1	I647 N657	I647-A651 HydrophobicContact CG2-CB 4.36Å; I647-A651 WeakPolarHBondContact O-CB 3.32Å; I647-A651 PolarHBondContact O-N 3.1Å; A651-N657 PolarHBondContact O-ND2 3.21Å
652	D	97.8	Very high	98.5	Very high	158 Å²	158	36.4 Å²	36.4	85%	0.845	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	6.8	179.2	-65.3	-41.1	0	0	0	112.8	I650 G654	I650-D652 VanDerWaalsContact C-N 3.3Å; I650-D652 PolarHBondContact O-N 3.31Å; D652-G654 PolarHBondContact O-N 3.1Å
653	N	98.5	Very high	98.5	Very high	41 Å²	41	36.4 Å²	36.4	22%	0.219	22%	0.223	C	C	.	.			trans	-75.9	119.3	177.3	-174	-57.7	0	0	0	110.2	I650 D655 A656 N657	I650-N653 WeakPolarHBondContact O-CB 3.3Å; I650-N653 PolarHBondContact O-N 3.49Å; I650-N653 VanDerWaalsContact O-N 3.12Å; N653-D655 PolarHBondContact O-N 3.04Å; N653-D655 PolarHBondContact OD1-N 2.71Å; N653-A656 HydrophobicContact CB-CB 3.95Å; N653-A656 PolarHBondContact O-N 2.77Å; N653-A656 PolarHBondContact OD1-N 2.88Å; N653-A656 VanDerWaalsContact OD1-N 3.13Å; N653-N657 PolarHBondContact O-N 3.03Å; N653-N657 VanDerWaalsContact O-N 3.08Å; N653-N657 PolarHBondContact O-ND2 3.21Å
654	G	98.4	Very high	98.5	Very high	52 Å²	52	36.5 Å²	36.5	54%	0.536	22%	0.223	S	C	.	.	H	α-helix	trans	-59.5	-41.6	-177.7	0	0	0	0	0	113.6	D652 Y658	D652-G654 PolarHBondContact O-N 3.1Å; G654-Y658 WeakPolarHBondContact O-CB 3.48Å; G654-Y658 PolarHBondContact O-N 3.03Å
655	D	98.6	Very high	98.5	Very high	87 Å²	87	37.8 Å²	37.8	47%	0.465	23%	0.227	S	C	.	.	H	α-helix	trans	-70.7	-39.9	-179.2	-69.8	-18.3	0	0	0	111.5	F629 N653 Y658 Y659	F629-D655 HydrophobicContact CB-CB 3.78Å; F629-D655 HydrophobicContact CD2-CB 4.2Å; F629-D655 HydrophobicContact CG-CB 4.46Å; N653-D655 PolarHBondContact O-N 3.04Å; N653-D655 PolarHBondContact OD1-N 2.71Å; D655-Y658 PolarHBondContact O-N 2.98Å; D655-Y659 WeakPolarHBondContact O-CB 3.28Å; D655-Y659 PolarHBondContact O-N 2.78Å
656	A	98.6	Very high	98.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-43.6	176.6	0	0	0	0	0	111.6	F629 I650 N653 Y659 L660	F629-A656 HydrophobicContact CD2-CB 4.09Å; F629-A656 HydrophobicContact CE2-CB 3.84Å; F629-A656 HydrophobicContact CZ-CB 4.2Å; I650-A656 HydrophobicContact CB-CB 4.32Å; N653-A656 HydrophobicContact CB-CB 3.95Å; N653-A656 PolarHBondContact O-N 2.77Å; N653-A656 PolarHBondContact OD1-N 2.88Å; N653-A656 VanDerWaalsContact OD1-N 3.13Å; A656-Y659 VanDerWaalsContact O-CB 3.3Å; A656-Y659 WeakPolarHBondContact O-CB 3.48Å; A656-Y659 PolarHBondContact O-N 3.29Å; A656-L660 PolarHBondContact O-N 3.31Å
657	N	98.7	Very high	98.6	Very high	29 Å²	29	33.9 Å²	33.9	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-47.6	175.3	-81.2	-78.4	0	0	0	111.8	A651 N653 Y659 L660 M661 T682	A651-N657 PolarHBondContact O-ND2 3.21Å; N653-N657 PolarHBondContact O-N 3.03Å; N653-N657 VanDerWaalsContact O-N 3.08Å; N653-N657 PolarHBondContact O-ND2 3.21Å; N657-Y659 VanDerWaalsContact C-N 3.27Å; N657-Y659 PolarHBondContact O-N 3.11Å; N657-L660 PolarHBondContact O-N 3.42Å; N657-M661 WeakPolarHBondContact O-CG 3.31Å; N657-M661 PolarHBondContact O-N 3.09Å; N657-M661 VanDerWaalsContact O-N 3.08Å; N657-T682 HydrophobicContact CB-CG2 3.72Å; N657-T682 WeakPolarHBondContact OD1-CG2 3.29Å; N657-T682 PolarHBondContact OD1-OG1 3.29Å
658	Y	98.8	Very high	98.6	Very high	86 Å²	86	33.6 Å²	33.6	34%	0.337	20%	0.198	S	C	.	.	H	α-helix	trans	-63.3	-33.8	177.9	-178.6	-96.1	0	0	0	111.9	K284 G654 D655 L660 M661 E662 A728	K284-Y658 PolarHBondContact NZ-OH 2.82Å; G654-Y658 WeakPolarHBondContact O-CB 3.48Å; G654-Y658 PolarHBondContact O-N 3.03Å; D655-Y658 PolarHBondContact O-N 2.98Å; Y658-L660 VanDerWaalsContact C-N 3.28Å; Y658-L660 PolarHBondContact O-N 2.89Å; Y658-M661 PolarHBondContact O-N 3.24Å; Y658-E662 HydrophobicContact CD1-CB 4.43Å; Y658-E662 HydrophobicContact CE1-CB 4Å; Y658-E662 HydrophobicContact CE1-CG 4.34Å; Y658-E662 WeakPolarHBondContact CE1-OE1 3.45Å; Y658-E662 VanDerWaalsContact O-CB 3.31Å; Y658-E662 WeakPolarHBondContact O-CB 3.32Å; Y658-E662 PolarHBondContact O-N 3.44Å; Y658-E662 PolarHBondContact OH-OE1 2.73Å; Y658-A728 HydrophobicContact CE2-CB 4.28Å; Y658-A728 PolarHBondContact OH-OXT 3.08Å
659	Y	98.8	Very high	98.6	Very high	4 Å²	4	30 Å²	30	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-53.8	-46.6	174.4	-151.4	-72.4	0	0	0	111.7	A579 L581 L608 F629 A632 P633 S634 V637 V640 D655 A656 N657 A663	A579-Y659 HydrophobicContact CB-CE1 3.69Å; A579-Y659 VanDerWaalsContact CB-OH 3.3Å; A579-Y659 WeakPolarHBondContact CB-OH 3.34Å; L581-Y659 HydrophobicContact CD1-CD1 4.27Å; L581-Y659 HydrophobicContact CD1-CG 4.26Å; L581-Y659 HydrophobicContact CD2-CD1 4.09Å; L581-Y659 HydrophobicContact CD2-CD2 4.26Å; L581-Y659 HydrophobicContact CD2-CE1 4.18Å; L581-Y659 HydrophobicContact CD2-CE2 4.34Å; L581-Y659 HydrophobicContact CD2-CG 4.14Å; L608-Y659 HydrophobicContact CD1-CE2 3.54Å; L608-Y659 VanDerWaalsContact CD1-OH 3.26Å; L608-Y659 WeakPolarHBondContact CD1-OH 3.34Å; F629-Y659 HydrophobicContact CB-CD2 4.23Å; A632-Y659 WeakPolarHBondContact O-CE2 3.49Å; A632-Y659 PolarHBondContact O-OH 2.76Å; P633-Y659 PolarHBondContact O-OH 2.98Å; S634-Y659 VanDerWaalsContact CA-CZ 3.42Å; S634-Y659 WeakPolarHBondContact CA-OH 3.43Å; S634-Y659 VanDerWaalsContact CB-CE1 3.43Å; S634-Y659 VanDerWaalsContact N-CZ 3.3Å; S634-Y659 PolarHBondContact N-OH 3.28Å; V637-Y659 HydrophobicContact CG2-CE1 4.29Å; V640-Y659 HydrophobicContact CG1-CD1 4.07Å; V640-Y659 HydrophobicContact CG1-CE1 4.21Å; V640-Y659 HydrophobicContact CG2-CD1 3.91Å; V640-Y659 HydrophobicContact CG2-CE1 3.71Å; D655-Y659 WeakPolarHBondContact O-CB 3.28Å; D655-Y659 PolarHBondContact O-N 2.78Å; A656-Y659 VanDerWaalsContact O-CB 3.3Å; A656-Y659 WeakPolarHBondContact O-CB 3.48Å; A656-Y659 PolarHBondContact O-N 3.29Å; N657-Y659 VanDerWaalsContact C-N 3.27Å; N657-Y659 PolarHBondContact O-N 3.11Å; Y659-A663 VanDerWaalsContact O-CB 3.3Å; Y659-A663 WeakPolarHBondContact O-CB 3.25Å; Y659-A663 PolarHBondContact O-N 3.24Å
660	L	98.8	Very high	98.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-72	-39.1	179	-63	176.8	0	0	0	111.8	L581 V640 V642 A656 N657 Y658 Y664 I670 F679 I683	L581-L660 HydrophobicContact CD1-CD2 4.14Å; L581-L660 HydrophobicContact CD1-CG 4.31Å; V640-L660 HydrophobicContact CB-CD2 4.32Å; V640-L660 HydrophobicContact CG1-CD2 3.74Å; V642-L660 HydrophobicContact CG2-CD1 4.4Å; V642-L660 HydrophobicContact CG2-CD2 3.99Å; A656-L660 PolarHBondContact O-N 3.31Å; N657-L660 PolarHBondContact O-N 3.42Å; Y658-L660 VanDerWaalsContact C-N 3.28Å; Y658-L660 PolarHBondContact O-N 2.89Å; L660-Y664 WeakPolarHBondContact O-CB 3.33Å; L660-Y664 PolarHBondContact O-N 2.82Å; L660-I670 HydrophobicContact CD2-CG2 3.98Å; L660-F679 HydrophobicContact CD1-CB 3.46Å; L660-F679 VanDerWaalsContact CD1-CB 3.46Å; L660-F679 HydrophobicContact CD1-CD1 3.62Å; L660-F679 HydrophobicContact CD1-CD2 4.06Å; L660-F679 HydrophobicContact CD1-CE1 4.34Å; L660-F679 HydrophobicContact CD1-CG 3.45Å; L660-F679 VanDerWaalsContact CD1-CG 3.45Å; L660-I683 HydrophobicContact CB-CG2 4.14Å
661	M	98.8	Very high	98.7	Very high	29 Å²	29	27.5 Å²	27.5	14%	0.143	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-43.3	176.1	-64.7	173.3	64.1	0	0	112.2	N657 Y658 Y664 K665 T682 I683 I726 P727 A728	N657-M661 WeakPolarHBondContact O-CG 3.31Å; N657-M661 PolarHBondContact O-N 3.09Å; N657-M661 VanDerWaalsContact O-N 3.08Å; Y658-M661 PolarHBondContact O-N 3.24Å; M661-Y664 PolarHBondContact O-N 3.03Å; M661-K665 WeakPolarHBondContact O-CB 3.49Å; M661-K665 PolarHBondContact O-N 2.78Å; M661-T682 HydrophobicContact CG-CG2 3.63Å; M661-T682 HydrophobicContact SD-CG2 3.79Å; M661-I683 HydrophobicContact CG-CG2 4.41Å; M661-I726 HydrophobicContact CB-CG2 4.36Å; M661-I726 HydrophobicContact CE-CG2 4.27Å; M661-P727 HydrophobicContact CE-CG 3.83Å; M661-P727 VanDerWaalsContact CE-O 3.27Å; M661-P727 WeakPolarHBondContact CE-O 3.43Å; M661-A728 HydrophobicContact CB-CB 3.84Å; M661-A728 HydrophobicContact CE-CB 4.33Å
662	E	98.9	Very high	98.7	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.023	14%	0.141	C	C	.	.	H	α-helix	trans	-67	-47.9	178.5	-172.1	176.9	-111.7	0	0	111	K284 S634 L635 Y658 Y664 K665 H666	K284-E662 IonicContact NZ-OE1 2.73Å; K284-E662 PolarHBondContact NZ-OE1 2.86Å; S634-E662 WeakPolarHBondContact OG-CB 3.5Å; S634-E662 WeakPolarHBondContact OG-CG 3.42Å; S634-E662 PolarHBondContact OG-OE2 3.02Å; L635-E662 HydrophobicContact CD2-CG 4.09Å; Y658-E662 HydrophobicContact CD1-CB 4.43Å; Y658-E662 HydrophobicContact CE1-CB 4Å; Y658-E662 HydrophobicContact CE1-CG 4.34Å; Y658-E662 WeakPolarHBondContact CE1-OE1 3.45Å; Y658-E662 VanDerWaalsContact O-CB 3.31Å; Y658-E662 WeakPolarHBondContact O-CB 3.32Å; Y658-E662 PolarHBondContact O-N 3.44Å; Y658-E662 PolarHBondContact OH-OE1 2.73Å; E662-Y664 VanDerWaalsContact C-N 3.27Å; E662-Y664 PolarHBondContact O-N 3.07Å; E662-K665 PolarHBondContact O-N 3.24Å; E662-H666 WeakPolarHBondContact O-CB 3.35Å; E662-H666 PolarHBondContact O-N 2.89Å; E662-H666 PolarHBondContact O-ND1 3.32Å
663	A	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.3	-40.7	174.5	0	0	0	0	0	112.1	S634 V640 Y659 H666 L667 K668 I670	S634-A663 PolarHBondContact OG-N 3.39Å; V640-A663 HydrophobicContact CG2-CB 3.6Å; Y659-A663 VanDerWaalsContact O-CB 3.3Å; Y659-A663 WeakPolarHBondContact O-CB 3.25Å; Y659-A663 PolarHBondContact O-N 3.24Å; A663-H666 CarbonylContact O-C 3.58Å; A663-H666 PolarHBondContact O-N 3.4Å; A663-L667 PolarHBondContact O-N 2.9Å; A663-K668 HydrophobicContact CB-CB 4.29Å; A663-K668 HydrophobicContact CB-CD 4.44Å; A663-K668 WeakPolarHBondContact O-CB 3.14Å; A663-K668 PolarHBondContact O-N 3.48Å; A663-I670 HydrophobicContact CB-CD1 4.17Å; A663-I670 HydrophobicContact CB-CG1 4.34Å
664	Y	98.9	Very high	98.8	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-64.4	-47.6	177.9	-174.7	-88.4	0	0	0	111.5	L660 M661 E662 H666 L667 I670 I683 V685 E690 I693 R719 K722 I726	L660-Y664 WeakPolarHBondContact O-CB 3.33Å; L660-Y664 PolarHBondContact O-N 2.82Å; M661-Y664 PolarHBondContact O-N 3.03Å; E662-Y664 VanDerWaalsContact C-N 3.27Å; E662-Y664 PolarHBondContact O-N 3.07Å; Y664-H666 VanDerWaalsContact C-N 3.27Å; Y664-H666 PolarHBondContact O-N 2.73Å; Y664-L667 PolarHBondContact O-N 3.2Å; Y664-L667 VanDerWaalsContact O-N 3.08Å; Y664-I670 HydrophobicContact CD2-CD1 4.32Å; Y664-I683 HydrophobicContact CD2-CB 3.91Å; Y664-I683 HydrophobicContact CD2-CD1 3.81Å; Y664-I683 HydrophobicContact CD2-CG1 4.39Å; Y664-I683 HydrophobicContact CD2-CG2 4.26Å; Y664-I683 HydrophobicContact CE2-CB 4.39Å; Y664-I683 HydrophobicContact CE2-CD1 4.23Å; Y664-I683 HydrophobicContact CG-CB 4.01Å; Y664-I683 HydrophobicContact CG-CG2 4.06Å; Y664-V685 HydrophobicContact CE2-CG2 3.75Å; Y664-E690 WeakPolarHBondContact CE2-OE1 3.32Å; Y664-E690 VanDerWaalsContact CZ-OE1 3.26Å; Y664-E690 PolarHBondContact OH-OE1 3.36Å; Y664-E690 PolarHBondContact OH-OE2 3.08Å; Y664-I693 HydrophobicContact CD2-CD1 3.95Å; Y664-I693 HydrophobicContact CE2-CD1 4.07Å; Y664-I693 HydrophobicContact CE2-CG1 4.45Å; Y664-R719 HydrophobicContact CE1-CG 3.93Å; Y664-R719 VanDerWaalsContact CE2-CD 3.44Å; Y664-R719 HydrophobicContact CE2-CG 4.16Å; Y664-R719 VanDerWaalsContact CE2-NE 3.3Å; Y664-R719 VanDerWaalsContact CZ-CD 3.43Å; Y664-R719 WeakPolarHBondContact O-CD 3.34Å; Y664-K722 HydrophobicContact CE1-CB 4.46Å; Y664-K722 WeakPolarHBondContact OH-CD 3.09Å; Y664-I726 HydrophobicContact CD1-CD1 4.42Å; Y664-I726 HydrophobicContact CD1-CG1 3.92Å; Y664-I726 HydrophobicContact CE1-CD1 4.2Å; Y664-I726 HydrophobicContact CE1-CG1 3.88Å
665	K	98.7	Very high	98.8	Very high	44 Å²	44	17.7 Å²	17.7	19%	0.191	9%	0.087	C	C	.	.	H	α-helix	trans	-60.3	-37.2	176.1	-175.7	-175.7	176.6	-160.9	0	111.5	D280 M661 E662 L667 I723 A728	D280-K665 VanDerWaalsContact CG-NZ 3.33Å; D280-K665 IonicContact OD1-NZ 2.75Å; D280-K665 PolarHBondContact OD1-NZ 3.15Å; D280-K665 WeakPolarHBondContact OD2-CE 3.14Å; D280-K665 IonicContact OD2-NZ 3.15Å; D280-K665 PolarHBondContact OD2-NZ 3.5Å; M661-K665 WeakPolarHBondContact O-CB 3.49Å; M661-K665 PolarHBondContact O-N 2.78Å; E662-K665 PolarHBondContact O-N 3.24Å; K665-L667 PolarHBondContact O-N 3.38Å; K665-I723 HydrophobicContact CG-CB 4.33Å; K665-I723 WeakPolarHBondContact O-CD1 3.5Å; K665-A728 HydrophobicContact CB-CB 4.4Å; K665-A728 HydrophobicContact CD-CB 4.07Å; K665-A728 VanDerWaalsContact CD-O 3.28Å; K665-A728 WeakPolarHBondContact CD-O 3.28Å; K665-A728 WeakPolarHBondContact CE-O 3.33Å; K665-A728 PolarHBondContact NZ-O 3.24Å
666	H	98.9	Very high	98.7	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	16.4	177.2	-61.1	156.6	0	0	0	114.1	V278 D280 E281 L635 E662 A663 Y664 K668 R715	V278-H666 HydrophobicContact CG2-CB 4.27Å; D280-H666 IonicContact OD2-CD2 2.73Å; D280-H666 IonicContact OD2-CE1 3.73Å; D280-H666 IonicContact OD2-NE2 2.82Å; D280-H666 PolarHBondContact OD2-NE2 3.49Å; E281-H666 PolarHBondContact N-NE2 3.36Å; L635-H666 WeakPolarHBondContact CD2-CE1 3.38Å; E662-H666 WeakPolarHBondContact O-CB 3.35Å; E662-H666 PolarHBondContact O-N 2.89Å; E662-H666 PolarHBondContact O-ND1 3.32Å; A663-H666 CarbonylContact O-C 3.58Å; A663-H666 PolarHBondContact O-N 3.4Å; Y664-H666 VanDerWaalsContact C-N 3.27Å; Y664-H666 PolarHBondContact O-N 2.73Å; H666-K668 HydrophobicContact CB-CG 4.45Å; H666-K668 PolarHBondContact O-N 2.91Å; H666-R715 WeakPolarHBondContact O-CD 3.34Å; H666-R715 PolarHBondContact O-NH1 3.27Å
667	L	98.9	Very high	98.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	23.7	171.3	-45	175.9	0	0	0	113.4	A663 Y664 K665 R715 V716 W717 R719 I720 I723	A663-L667 PolarHBondContact O-N 2.9Å; Y664-L667 PolarHBondContact O-N 3.2Å; Y664-L667 VanDerWaalsContact O-N 3.08Å; K665-L667 PolarHBondContact O-N 3.38Å; L667-R715 HydrophobicContact CB-CB 3.94Å; L667-R715 HydrophobicContact CB-CG 4.49Å; L667-R715 CarbonylContact O-C 3.56Å; L667-R715 WeakPolarHBondContact O-CA 3.19Å; L667-V716 PolarHBondContact O-N 3.33Å; L667-W717 HydrophobicContact CD1-CE3 3.78Å; L667-W717 HydrophobicContact CD1-CZ3 4.03Å; L667-R719 HydrophobicContact CD2-CB 3.95Å; L667-R719 HydrophobicContact CD2-CG 4.36Å; L667-I720 HydrophobicContact CD1-CD1 4.08Å; L667-I720 HydrophobicContact CD1-CG1 3.63Å; L667-I720 HydrophobicContact CD2-CG1 3.93Å; L667-I720 HydrophobicContact CG-CG1 4.44Å; L667-I723 HydrophobicContact CD2-CD1 4.28Å; L667-I723 HydrophobicContact CD2-CG2 3.81Å
668	K	98.9	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.098	C	C	.	.			trans	-79.5	146.6	-179.5	-64.2	178.3	-175.7	-174.7	0	110.8	E281 S634 V637 A663 H666 R719	E281-K668 WeakPolarHBondContact OE1-CE 3.32Å; E281-K668 IonicContact OE1-NZ 2.9Å; E281-K668 PolarHBondContact OE1-NZ 3.04Å; S634-K668 PolarHBondContact O-NZ 3.25Å; V637-K668 VanDerWaalsContact O-CE 3.32Å; V637-K668 WeakPolarHBondContact O-CE 3.38Å; V637-K668 PolarHBondContact O-NZ 3.5Å; A663-K668 HydrophobicContact CB-CB 4.29Å; A663-K668 HydrophobicContact CB-CD 4.44Å; A663-K668 WeakPolarHBondContact O-CB 3.14Å; A663-K668 PolarHBondContact O-N 3.48Å; H666-K668 HydrophobicContact CB-CG 4.45Å; H666-K668 PolarHBondContact O-N 2.91Å; K668-R719 PolarHBondContact O-NH1 2.79Å
669	P	98.9	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.			trans	-58.9	137	167.5	-22.4	34.6	0	0	0	110.8	A639 V640 L707 L710 M711 V716	A639-P669 WeakPolarHBondContact CA-O 3.25Å; A639-P669 HydrophobicContact CB-CB 4.06Å; A639-P669 HydrophobicContact CB-CG 4.4Å; A639-P669 WeakPolarHBondContact CB-O 3.44Å; V640-P669 PolarHBondContact N-O 3.26Å; V640-P669 VanDerWaalsContact N-O 3.1Å; P669-L707 HydrophobicContact CB-CD1 3.61Å; P669-L710 HydrophobicContact CB-CB 3.89Å; P669-L710 HydrophobicContact CB-CD1 4.4Å; P669-L710 HydrophobicContact CG-CB 3.77Å; P669-M711 HydrophobicContact CG-CG 4.19Å; P669-V716 HydrophobicContact CG-CG2 4.41Å
670	I	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.4	175.4	-61.5	172.6	0	0	0	107.9	V640 L660 A663 Y664 L672 I683 G692 I693 V694	V640-I670 CarbonylContact O-C 3.5Å; V640-I670 WeakPolarHBondContact O-CA 3.44Å; L660-I670 HydrophobicContact CD2-CG2 3.98Å; A663-I670 HydrophobicContact CB-CD1 4.17Å; A663-I670 HydrophobicContact CB-CG1 4.34Å; Y664-I670 HydrophobicContact CD2-CD1 4.32Å; I670-L672 HydrophobicContact CG2-CD2 3.93Å; I670-L672 HydrophobicContact CG2-CG 4.12Å; I670-I683 HydrophobicContact CD1-CD1 4.4Å; I670-G692 PolarHBondContact N-O 2.83Å; I670-I693 HydrophobicContact CB-CD1 3.82Å; I670-I693 HydrophobicContact CD1-CD1 4.19Å; I670-I693 HydrophobicContact CG1-CD1 4.37Å; I670-I693 CarbonylContact O-C 3.39Å; I670-I693 WeakPolarHBondContact O-CA 3.39Å; I670-V694 PolarHBondContact O-N 3.37Å
671	A	98.9	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.6	179.5	0	0	0	0	0	111.4	V640 I641 V642 V694 F703 L707	V640-A671 PolarHBondContact O-N 3.34Å; I641-A671 CarbonylContact C-O 3.54Å; I641-A671 WeakPolarHBondContact CA-O 3.26Å; I641-A671 HydrophobicContact CG1-CB 4.15Å; I641-A671 HydrophobicContact CG2-CB 4.37Å; V642-A671 PolarHBondContact N-O 2.8Å; A671-V694 CarbonylContact C-O 3.59Å; A671-V694 VanDerWaalsContact CA-O 3.28Å; A671-V694 WeakPolarHBondContact CA-O 3.33Å; A671-V694 HydrophobicContact CB-CB 3.96Å; A671-F703 HydrophobicContact CB-CE1 3.71Å; A671-F703 HydrophobicContact CB-CE2 4.03Å; A671-F703 HydrophobicContact CB-CZ 3.31Å; A671-L707 HydrophobicContact CB-CD1 4.19Å; A671-L707 HydrophobicContact CB-CD2 3.94Å; A671-L707 HydrophobicContact CB-CG 4.46Å
672	L	98.9	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	113.4	-172.2	-56.5	176.7	0	0	0	110.8	V642 I670 A676 R677 F679 K680 I693 V694 E695 A696	V642-L672 HydrophobicContact CB-CD2 3.89Å; V642-L672 HydrophobicContact CG2-CD2 3.76Å; I670-L672 HydrophobicContact CG2-CD2 3.93Å; I670-L672 HydrophobicContact CG2-CG 4.12Å; L672-A676 HydrophobicContact CB-CB 4.29Å; L672-A676 HydrophobicContact CD2-CB 4.43Å; L672-R677 HydrophobicContact CB-CG 4.12Å; L672-F679 HydrophobicContact CD1-CB 4.42Å; L672-F679 HydrophobicContact CD2-CB 4.43Å; L672-K680 HydrophobicContact CD1-CG 3.87Å; L672-I693 HydrophobicContact CD1-CG2 4.37Å; L672-V694 PolarHBondContact N-O 3.03Å; L672-E695 WeakPolarHBondContact O-CA 3.29Å; L672-A696 PolarHBondContact O-N 3.15Å
673	A	98.7	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.3	179	0	0	0	0	0	112.1	V642 D675 A676 A699 F703	V642-A673 PolarHBondContact O-N 2.96Å; A673-D675 PolarHBondContact O-N 2.86Å; A673-A676 WeakPolarHBondContact O-CB 3.37Å; A673-A676 PolarHBondContact O-N 3.18Å; A673-A676 VanDerWaalsContact O-N 3.1Å; A673-A699 HydrophobicContact CB-CB 4.22Å; A673-F703 HydrophobicContact CB-CZ 4.31Å
674	G	98.3	Very high	98.4	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	59.6	-125.7	172.6	0	0	0	0	0	112.9	A676 R677 A696 D697	G674-A676 PolarHBondContact O-N 3.41Å; G674-R677 WeakPolarHBondContact O-CB 3.37Å; G674-R677 WeakPolarHBondContact O-CG 3.47Å; G674-R677 PolarHBondContact O-N 2.97Å; G674-R677 PolarHBondContact O-NE 3.4Å; G674-R677 PolarHBondContact O-NH2 3.06Å; G674-A696 PolarHBondContact N-O 3.33Å; G674-D697 WeakPolarHBondContact CA-O 3.48Å
675	D	98.2	Very high	98.3	Very high	75 Å²	75	28 Å²	28	40%	0.401	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-66.8	-17.6	-179.5	-93.3	14.1	0	0	0	113.6	C644 I647 A673 R677 K678	C644-D675 PolarHBondContact SG-N 3.39Å; I647-D675 HydrophobicContact CB-CB 4.16Å; I647-D675 HydrophobicContact CG1-CB 3.79Å; A673-D675 PolarHBondContact O-N 2.86Å; D675-R677 PolarHBondContact O-N 3.48Å; D675-R677 VanDerWaalsContact O-N 3.11Å; D675-K678 VanDerWaalsContact CG-NZ 3.29Å; D675-K678 WeakPolarHBondContact O-CB 3.48Å; D675-K678 VanDerWaalsContact O-CG 3.28Å; D675-K678 WeakPolarHBondContact O-CG 3.41Å; D675-K678 PolarHBondContact O-N 3.26Å; D675-K678 IonicContact OD1-NZ 3.18Å; D675-K678 IonicContact OD2-NZ 2.73Å; D675-K678 PolarHBondContact OD2-NZ 3.46Å
676	A	98.5	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-62	-19.5	175.4	0	0	0	0	0	112.5	V642 I647 L672 A673 G674 K678 F679	V642-A676 HydrophobicContact CB-CB 3.79Å; V642-A676 HydrophobicContact CG1-CB 3.6Å; V642-A676 VanDerWaalsContact O-CB 3.3Å; V642-A676 WeakPolarHBondContact O-CB 3.41Å; I647-A676 HydrophobicContact CD1-CB 3.93Å; L672-A676 HydrophobicContact CB-CB 4.29Å; L672-A676 HydrophobicContact CD2-CB 4.43Å; A673-A676 WeakPolarHBondContact O-CB 3.37Å; A673-A676 PolarHBondContact O-N 3.18Å; A673-A676 VanDerWaalsContact O-N 3.1Å; G674-A676 PolarHBondContact O-N 3.41Å; A676-K678 PolarHBondContact O-N 3.22Å; A676-K678 VanDerWaalsContact O-N 3.08Å; A676-F679 HydrophobicContact CB-CD2 4.43Å; A676-F679 WeakPolarHBondContact O-CB 3.39Å; A676-F679 WeakPolarHBondContact O-CD2 3.42Å; A676-F679 PolarHBondContact O-N 2.67Å
677	R	98.4	Very high	98	Very high	74 Å²	74	35.1 Å²	35.1	28%	0.279	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-58.3	-20.6	173	-68.7	175.4	-67.9	-171	-6.1	113	L672 G674 D675 F679 K680 E695 D697	L672-R677 HydrophobicContact CB-CG 4.12Å; G674-R677 WeakPolarHBondContact O-CB 3.37Å; G674-R677 WeakPolarHBondContact O-CG 3.47Å; G674-R677 PolarHBondContact O-N 2.97Å; G674-R677 PolarHBondContact O-NE 3.4Å; G674-R677 PolarHBondContact O-NH2 3.06Å; D675-R677 PolarHBondContact O-N 3.48Å; D675-R677 VanDerWaalsContact O-N 3.11Å; R677-F679 PolarHBondContact O-N 3.06Å; R677-K680 HydrophobicContact CB-CD 4.32Å; R677-K680 VanDerWaalsContact O-CB 3.26Å; R677-K680 WeakPolarHBondContact O-CB 3.17Å; R677-K680 WeakPolarHBondContact O-CD 3.14Å; R677-K680 WeakPolarHBondContact O-CG 3.27Å; R677-K680 PolarHBondContact O-N 2.82Å; R677-E695 HydrophobicContact CG-CB 3.93Å; R677-D697 IonicContact CZ-OD1 2.75Å; R677-D697 IonicContact NH1-OD1 2.74Å; R677-D697 PolarHBondContact NH1-OD1 2.84Å; R677-D697 IonicContact NH2-OD1 2.72Å; R677-D697 PolarHBondContact NH2-OD1 2.7Å
678	K	97.7	Very high	97.8	Very high	134 Å²	134	43 Å²	43	58%	0.583	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-58.2	-26.3	172.2	-66.4	169.6	-174.5	166.8	0	112.3	D675 A676 K680 A681	D675-K678 VanDerWaalsContact CG-NZ 3.29Å; D675-K678 WeakPolarHBondContact O-CB 3.48Å; D675-K678 VanDerWaalsContact O-CG 3.28Å; D675-K678 WeakPolarHBondContact O-CG 3.41Å; D675-K678 PolarHBondContact O-N 3.26Å; D675-K678 IonicContact OD1-NZ 3.18Å; D675-K678 IonicContact OD2-NZ 2.73Å; D675-K678 PolarHBondContact OD2-NZ 3.46Å; A676-K678 PolarHBondContact O-N 3.22Å; A676-K678 VanDerWaalsContact O-N 3.08Å; K678-K680 PolarHBondContact O-N 3.2Å; K678-A681 PolarHBondContact O-N 3.14Å
679	F	98.4	Very high	97.7	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.026	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-66.4	-11.6	174.3	-74.8	-68.8	0	0	0	114.5	V642 I647 I650 L660 L672 A676 R677 A681 T682	V642-F679 HydrophobicContact CG1-CD2 4.24Å; V642-F679 HydrophobicContact CG1-CE2 4.02Å; I647-F679 HydrophobicContact CG2-CE2 4.07Å; I650-F679 HydrophobicContact CD1-CE2 4.05Å; I650-F679 HydrophobicContact CD1-CZ 4.04Å; I650-F679 HydrophobicContact CG1-CE2 4.27Å; I650-F679 HydrophobicContact CG1-CZ 3.95Å; L660-F679 HydrophobicContact CD1-CB 3.46Å; L660-F679 VanDerWaalsContact CD1-CB 3.46Å; L660-F679 HydrophobicContact CD1-CD1 3.62Å; L660-F679 HydrophobicContact CD1-CD2 4.06Å; L660-F679 HydrophobicContact CD1-CE1 4.34Å; L660-F679 HydrophobicContact CD1-CG 3.45Å; L660-F679 VanDerWaalsContact CD1-CG 3.45Å; L672-F679 HydrophobicContact CD1-CB 4.42Å; L672-F679 HydrophobicContact CD2-CB 4.43Å; A676-F679 HydrophobicContact CB-CD2 4.43Å; A676-F679 WeakPolarHBondContact O-CB 3.39Å; A676-F679 WeakPolarHBondContact O-CD2 3.42Å; A676-F679 PolarHBondContact O-N 2.67Å; R677-F679 PolarHBondContact O-N 3.06Å; F679-A681 PolarHBondContact O-N 3.36Å; F679-T682 WeakPolarHBondContact O-CB 3.16Å; F679-T682 PolarHBondContact O-N 3.11Å
680	K	98.1	Very high	97.6	Very high	11 Å²	11	45.5 Å²	45.5	5%	0.048	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-55	-33.2	172	-73.5	167.2	59.1	168.8	0	112.2	L672 R677 K678 T682 I683 K684 V685 A686 D687 E695	L672-K680 HydrophobicContact CD1-CG 3.87Å; R677-K680 HydrophobicContact CB-CD 4.32Å; R677-K680 VanDerWaalsContact O-CB 3.26Å; R677-K680 WeakPolarHBondContact O-CB 3.17Å; R677-K680 WeakPolarHBondContact O-CD 3.14Å; R677-K680 WeakPolarHBondContact O-CG 3.27Å; R677-K680 PolarHBondContact O-N 2.82Å; K678-K680 PolarHBondContact O-N 3.2Å; K680-T682 VanDerWaalsContact C-N 3.32Å; K680-T682 PolarHBondContact O-N 3.23Å; K680-I683 CarbonylContact O-C 3.58Å; K680-I683 WeakPolarHBondContact O-CG1 3.1Å; K680-I683 PolarHBondContact O-N 3.24Å; K680-K684 PolarHBondContact O-N 2.59Å; K680-V685 HydrophobicContact CB-CB 4.2Å; K680-V685 HydrophobicContact CG-CB 4.4Å; K680-V685 HydrophobicContact CG-CG1 4.43Å; K680-V685 PolarHBondContact O-N 3.46Å; K680-A686 WeakPolarHBondContact CE-O 3.46Å; K680-A686 PolarHBondContact NZ-O 2.86Å; K680-D687 VanDerWaalsContact NZ-C 3.34Å; K680-D687 PolarHBondContact NZ-O 2.67Å; K680-E695 WeakPolarHBondContact CE-OE1 3.49Å; K680-E695 IonicContact NZ-OE1 2.74Å; K680-E695 PolarHBondContact NZ-OE1 3.01Å; K680-E695 IonicContact NZ-OE2 2.75Å; K680-E695 PolarHBondContact NZ-OE2 3.03Å
681	A	97.2	Very high	97.5	Very high	81 Å²	81	51.6 Å²	51.6	67%	0.669	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-59.2	-42.3	176.1	0	0	0	0	0	112	K678 F679 I683 K684	K678-A681 PolarHBondContact O-N 3.14Å; F679-A681 PolarHBondContact O-N 3.36Å; A681-I683 VanDerWaalsContact C-N 3.34Å; A681-I683 PolarHBondContact O-N 3.34Å; A681-K684 PolarHBondContact O-N 2.75Å; A681-K684 VanDerWaalsContact O-N 3.13Å
682	T	96.8	Very high	97.5	Very high	34 Å²	34	51.8 Å²	51.8	21%	0.209	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-40.8	-179	-50.9	0	0	0	0	112	N657 M661 F679 K680 K684	N657-T682 HydrophobicContact CB-CG2 3.72Å; N657-T682 WeakPolarHBondContact OD1-CG2 3.29Å; N657-T682 PolarHBondContact OD1-OG1 3.29Å; M661-T682 HydrophobicContact CG-CG2 3.63Å; M661-T682 HydrophobicContact SD-CG2 3.79Å; F679-T682 WeakPolarHBondContact O-CB 3.16Å; F679-T682 PolarHBondContact O-N 3.11Å; K680-T682 VanDerWaalsContact C-N 3.32Å; K680-T682 PolarHBondContact O-N 3.23Å; T682-K684 VanDerWaalsContact C-N 3.34Å
683	I	97.8	Very high	97.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	9.4	178.6	54.3	170	0	0	0	113.4	L660 M661 Y664 I670 K680 A681 V685 I693	L660-I683 HydrophobicContact CB-CG2 4.14Å; M661-I683 HydrophobicContact CG-CG2 4.41Å; Y664-I683 HydrophobicContact CD2-CB 3.91Å; Y664-I683 HydrophobicContact CD2-CD1 3.81Å; Y664-I683 HydrophobicContact CD2-CG1 4.39Å; Y664-I683 HydrophobicContact CD2-CG2 4.26Å; Y664-I683 HydrophobicContact CE2-CB 4.39Å; Y664-I683 HydrophobicContact CE2-CD1 4.23Å; Y664-I683 HydrophobicContact CG-CB 4.01Å; Y664-I683 HydrophobicContact CG-CG2 4.06Å; I670-I683 HydrophobicContact CD1-CD1 4.4Å; K680-I683 CarbonylContact O-C 3.58Å; K680-I683 WeakPolarHBondContact O-CG1 3.1Å; K680-I683 PolarHBondContact O-N 3.24Å; A681-I683 VanDerWaalsContact C-N 3.34Å; A681-I683 PolarHBondContact O-N 3.34Å; I683-V685 HydrophobicContact CB-CG2 4.39Å; I683-V685 HydrophobicContact CD1-CB 4.42Å; I683-V685 HydrophobicContact CD1-CG2 3.67Å; I683-V685 HydrophobicContact CG1-CB 4.28Å; I683-V685 HydrophobicContact CG1-CG2 3.72Å; I683-V685 PolarHBondContact O-N 3.26Å; I683-I693 HydrophobicContact CD1-CD1 3.77Å; I683-I693 HydrophobicContact CD1-CG1 4.43Å
684	K	97.6	Very high	97.5	Very high	110 Å²	110	52.6 Å²	52.6	48%	0.478	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	35.5	178.6	-53	-177.3	-174.8	172.8	0	113.6	K680 A681 T682 K725 I726	K680-K684 PolarHBondContact O-N 2.59Å; A681-K684 PolarHBondContact O-N 2.75Å; A681-K684 VanDerWaalsContact O-N 3.13Å; T682-K684 VanDerWaalsContact C-N 3.34Å; K684-K725 PolarHBondContact NZ-O 3.23Å; K684-I726 HydrophobicContact CB-CD1 4.21Å; K684-I726 HydrophobicContact CD-CD1 4Å; K684-I726 HydrophobicContact CG-CD1 4.15Å
685	V	97.6	Very high	97.5	Very high	9 Å²	9	55 Å²	55	6%	0.055	29%	0.288	C	S	.	.			trans	-89.7	133.5	173.9	176.1	0	0	0	0	108.6	Y664 K680 I683 E690 I693	Y664-V685 HydrophobicContact CE2-CG2 3.75Å; K680-V685 HydrophobicContact CB-CB 4.2Å; K680-V685 HydrophobicContact CG-CB 4.4Å; K680-V685 HydrophobicContact CG-CG1 4.43Å; K680-V685 PolarHBondContact O-N 3.46Å; I683-V685 HydrophobicContact CB-CG2 4.39Å; I683-V685 HydrophobicContact CD1-CB 4.42Å; I683-V685 HydrophobicContact CD1-CG2 3.67Å; I683-V685 HydrophobicContact CG1-CB 4.28Å; I683-V685 HydrophobicContact CG1-CG2 3.72Å; I683-V685 PolarHBondContact O-N 3.26Å; V685-E690 HydrophobicContact CG1-CB 4.48Å; V685-E690 HydrophobicContact CG1-CG 3.86Å; V685-E690 HydrophobicContact CG2-CG 4.09Å; V685-I693 HydrophobicContact CG2-CG1 4.22Å
686	A	96.4	Very high	97.5	Very high	45 Å²	45	52.8 Å²	52.8	37%	0.372	28%	0.279	S	S	.	.			trans	-73.3	163.6	-179	0	0	0	0	0	112	K680 Q688 G689	K680-A686 WeakPolarHBondContact CE-O 3.46Å; K680-A686 PolarHBondContact NZ-O 2.86Å; A686-Q688 VanDerWaalsContact CB-CD 3.45Å; A686-Q688 HydrophobicContact CB-CG 4.44Å; A686-Q688 VanDerWaalsContact CB-NE2 3.32Å; A686-Q688 PolarHBondContact O-N 3.19Å; A686-Q688 VanDerWaalsContact O-N 3.15Å; A686-G689 PolarHBondContact O-N 3.39Å
687	D	95.4	Very high	97.4	Very high	150 Å²	150	58.4 Å²	58.4	80%	0.802	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.8	-175.3	-65.6	-19.7	0	0	0	113.3	K680 G689	K680-D687 VanDerWaalsContact NZ-C 3.34Å; K680-D687 PolarHBondContact NZ-O 2.67Å; D687-G689 PolarHBondContact O-N 3.32Å
688	Q	94.9	Very high	97.4	Very high	166 Å²	166	56.8 Å²	56.8	78%	0.776	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.2	174.4	65.2	-89.3	16.9	0	0	115.2	A686	A686-Q688 VanDerWaalsContact CB-CD 3.45Å; A686-Q688 HydrophobicContact CB-CG 4.44Å; A686-Q688 VanDerWaalsContact CB-NE2 3.32Å; A686-Q688 PolarHBondContact O-N 3.19Å; A686-Q688 VanDerWaalsContact O-N 3.15Å
689	G	95.7	Very high	97.4	Very high	17 Å²	17	50.7 Å²	50.7	18%	0.175	28%	0.284	C	S	.	.			trans	79	-175.6	-177.8	0	0	0	0	0	113.7	A686 D687 E695	A686-G689 PolarHBondContact O-N 3.39Å; D687-G689 PolarHBondContact O-N 3.32Å; G689-E695 WeakPolarHBondContact CA-OE1 3.24Å
690	E	97.4	Very high	97.2	Very high	36 Å²	36	54 Å²	54	17%	0.168	30%	0.302	C	S	.	.			trans	-158.1	160.6	174.2	66	177.6	-132.3	0	0	111.6	Y664 V685 G692 I693 R719 K722	Y664-E690 WeakPolarHBondContact CE2-OE1 3.32Å; Y664-E690 VanDerWaalsContact CZ-OE1 3.26Å; Y664-E690 PolarHBondContact OH-OE1 3.36Å; Y664-E690 PolarHBondContact OH-OE2 3.08Å; V685-E690 HydrophobicContact CG1-CB 4.48Å; V685-E690 HydrophobicContact CG1-CG 3.86Å; V685-E690 HydrophobicContact CG2-CG 4.09Å; E690-G692 PolarHBondContact O-N 2.91Å; E690-I693 HydrophobicContact CG-CB 4.33Å; E690-I693 HydrophobicContact CG-CG1 3.67Å; E690-I693 PolarHBondContact O-N 3.27Å; E690-I693 VanDerWaalsContact O-N 3.11Å; E690-R719 IonicContact OE1-NE 3.57Å; E690-K722 VanDerWaalsContact CD-NZ 3.27Å; E690-K722 IonicContact OE1-NZ 3.79Å; E690-K722 WeakPolarHBondContact OE2-CD 3.35Å; E690-K722 IonicContact OE2-NZ 2.61Å; E690-K722 PolarHBondContact OE2-NZ 3.23Å
691	E	97.4	Very high	97	Very high	129 Å²	129	55.8 Å²	55.8	60%	0.603	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	134.2	174.9	-174.7	60.4	-155.9	0	0	112.1	I693 L710	E691-I693 VanDerWaalsContact C-N 3.32Å; E691-L710 WeakPolarHBondContact OE1-CD2 3.5Å
692	G	97.9	Very high	97	Very high	3 Å²	3	55.1 Å²	55.1	3%	0.031	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-0.7	-178.5	0	0	0	0	0	115.7	I670 E690 R719	I670-G692 PolarHBondContact N-O 2.83Å; E690-G692 PolarHBondContact O-N 2.91Å; G692-R719 PolarHBondContact O-NH2 2.92Å
693	I	98.6	Very high	97.1	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.062	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	103.5	168.2	-53.3	-61.6	0	0	0	107.8	Y664 I670 L672 I683 V685 E690 E691	Y664-I693 HydrophobicContact CD2-CD1 3.95Å; Y664-I693 HydrophobicContact CE2-CD1 4.07Å; Y664-I693 HydrophobicContact CE2-CG1 4.45Å; I670-I693 HydrophobicContact CB-CD1 3.82Å; I670-I693 HydrophobicContact CD1-CD1 4.19Å; I670-I693 HydrophobicContact CG1-CD1 4.37Å; I670-I693 CarbonylContact O-C 3.39Å; I670-I693 WeakPolarHBondContact O-CA 3.39Å; L672-I693 HydrophobicContact CD1-CG2 4.37Å; I683-I693 HydrophobicContact CD1-CD1 3.77Å; I683-I693 HydrophobicContact CD1-CG1 4.43Å; V685-I693 HydrophobicContact CG2-CG1 4.22Å; E690-I693 HydrophobicContact CG-CB 4.33Å; E690-I693 HydrophobicContact CG-CG1 3.67Å; E690-I693 PolarHBondContact O-N 3.27Å; E690-I693 VanDerWaalsContact O-N 3.11Å; E691-I693 VanDerWaalsContact C-N 3.32Å
694	V	98.6	Very high	97.1	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.03	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.4	177.9	-173.3	0	0	0	0	108.5	I670 A671 L672 F703 E706 L707 L710	I670-V694 PolarHBondContact O-N 3.37Å; A671-V694 CarbonylContact C-O 3.59Å; A671-V694 VanDerWaalsContact CA-O 3.28Å; A671-V694 WeakPolarHBondContact CA-O 3.33Å; A671-V694 HydrophobicContact CB-CB 3.96Å; L672-V694 PolarHBondContact N-O 3.03Å; V694-F703 HydrophobicContact CB-CE2 4.41Å; V694-F703 HydrophobicContact CG1-CD2 3.58Å; V694-F703 HydrophobicContact CG1-CE2 3.89Å; V694-F703 HydrophobicContact CG1-CG 4.08Å; V694-E706 HydrophobicContact CG1-CB 4.05Å; V694-E706 HydrophobicContact CG2-CB 4.12Å; V694-L707 HydrophobicContact CG2-CB 4.24Å; V694-L710 HydrophobicContact CG2-CD1 3.51Å
695	E	98.2	Very high	97.1	Very high	57 Å²	57	53.1 Å²	53.1	27%	0.266	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	136.4	-179.3	60.4	179.6	113.8	0	0	112.4	L672 R677 K680 G689	L672-E695 WeakPolarHBondContact O-CA 3.29Å; R677-E695 HydrophobicContact CG-CB 3.93Å; K680-E695 WeakPolarHBondContact CE-OE1 3.49Å; K680-E695 IonicContact NZ-OE1 2.74Å; K680-E695 PolarHBondContact NZ-OE1 3.01Å; K680-E695 IonicContact NZ-OE2 2.75Å; K680-E695 PolarHBondContact NZ-OE2 3.03Å; G689-E695 WeakPolarHBondContact CA-OE1 3.24Å
696	A	97.9	Very high	97.2	Very high	28 Å²	28	57.6 Å²	57.6	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	169.2	178.2	0	0	0	0	0	110.8	L672 G674 S698 F703	L672-A696 PolarHBondContact O-N 3.15Å; G674-A696 PolarHBondContact N-O 3.33Å; A696-S698 VanDerWaalsContact C-N 3.27Å; A696-S698 WeakPolarHBondContact CB-O 3.37Å; A696-S698 PolarHBondContact O-N 3.12Å; A696-F703 HydrophobicContact CB-CB 4.49Å; A696-F703 HydrophobicContact CB-CD2 3.78Å
697	D	97.7	Very high	97.3	Very high	118 Å²	118	55.4 Å²	55.4	63%	0.631	31%	0.31	S	S	*	.	S	Bend	trans	-69.2	-25.3	176.5	-69.1	-30.8	0	0	0	113.2	R587 G674 R677	R587-D697 PolarHBondContact NH1-O 2.85Å; G674-D697 WeakPolarHBondContact CA-O 3.48Å; R677-D697 IonicContact CZ-OD1 2.75Å; R677-D697 IonicContact NH1-OD1 2.74Å; R677-D697 PolarHBondContact NH1-OD1 2.84Å; R677-D697 IonicContact NH2-OD1 2.72Å; R677-D697 PolarHBondContact NH2-OD1 2.7Å
698	S	97.7	Very high	97.4	Very high	40 Å²	40	48.9 Å²	48.9	28%	0.28	28%	0.275	S	S	.	.	S	Bend	trans	-149.7	155.6	174.9	53.1	0	0	0	0	109.5	D590 A696 D700	D590-S698 WeakPolarHBondContact OD1-CA 3.35Å; D590-S698 WeakPolarHBondContact OD1-CB 3.3Å; A696-S698 VanDerWaalsContact C-N 3.27Å; A696-S698 WeakPolarHBondContact CB-O 3.37Å; A696-S698 PolarHBondContact O-N 3.12Å; S698-D700 PolarHBondContact O-N 3.06Å
699	A	97.2	Very high	97.6	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	27%	0.267	C	S	.	.			trans	-77.2	112.4	170.8	0	0	0	0	0	109.4	D590 A593 I594 A673 F703	D590-A699 HydrophobicContact CB-CB 3.94Å; D590-A699 PolarHBondContact OD1-N 3.5Å; A593-A699 WeakPolarHBondContact CB-O 3.46Å; I594-A699 HydrophobicContact CD1-CB 3.92Å; I594-A699 HydrophobicContact CG1-CB 3.74Å; A673-A699 HydrophobicContact CB-CB 4.22Å; A699-F703 HydrophobicContact CB-CD1 3.75Å; A699-F703 HydrophobicContact CB-CE1 3.87Å; A699-F703 HydrophobicContact CB-CG 4.38Å
700	D	94.8	Very high	97.8	Very high	77 Å²	77	45.9 Å²	45.9	41%	0.412	26%	0.263	S	S	.	.			trans	-126.8	-166.7	176.9	74	2.6	0	0	0	111.6	S698 S702 F703 M704	S698-D700 PolarHBondContact O-N 3.06Å; D700-S702 PolarHBondContact OD1-N 3.02Å; D700-F703 PolarHBondContact OD1-N 3.02Å; D700-M704 WeakPolarHBondContact O-CG 3.49Å; D700-M704 PolarHBondContact O-N 2.83Å; D700-M704 VanDerWaalsContact O-N 3.1Å
701	G	94	Very high	97.8	Very high	47 Å²	47	44.2 Å²	44.2	49%	0.485	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-44.3	179.1	0	0	0	0	0	113.4	M704 D705	G701-M704 PolarHBondContact O-N 2.77Å; G701-D705 WeakPolarHBondContact O-CB 3.46Å; G701-D705 VanDerWaalsContact O-CG 3.28Å; G701-D705 PolarHBondContact O-N 3.22Å
702	S	97	Very high	97.9	Very high	68 Å²	68	40.9 Å²	40.9	48%	0.476	25%	0.25	S	C	.	.	H	α-helix	trans	-65.7	-45.2	-178.7	-165.5	0	0	0	0	110.7	D700 M704 D705 E706	D700-S702 PolarHBondContact OD1-N 3.02Å; S702-M704 VanDerWaalsContact C-N 3.29Å; S702-M704 PolarHBondContact O-N 2.83Å; S702-D705 PolarHBondContact O-N 2.8Å; S702-E706 WeakPolarHBondContact O-CG 3.27Å; S702-E706 PolarHBondContact O-N 3.31Å; S702-E706 PolarHBondContact OG-OE1 3.25Å
703	F	98.4	Very high	97.9	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-55.2	-45.3	176.1	178.9	-90.3	0	0	0	111.8	I641 A671 A673 V694 A696 A699 D700 L707	I641-F703 HydrophobicContact CG2-CE1 4.27Å; A671-F703 HydrophobicContact CB-CE1 3.71Å; A671-F703 HydrophobicContact CB-CE2 4.03Å; A671-F703 HydrophobicContact CB-CZ 3.31Å; A673-F703 HydrophobicContact CB-CZ 4.31Å; V694-F703 HydrophobicContact CB-CE2 4.41Å; V694-F703 HydrophobicContact CG1-CD2 3.58Å; V694-F703 HydrophobicContact CG1-CE2 3.89Å; V694-F703 HydrophobicContact CG1-CG 4.08Å; A696-F703 HydrophobicContact CB-CB 4.49Å; A696-F703 HydrophobicContact CB-CD2 3.78Å; A699-F703 HydrophobicContact CB-CD1 3.75Å; A699-F703 HydrophobicContact CB-CE1 3.87Å; A699-F703 HydrophobicContact CB-CG 4.38Å; D700-F703 PolarHBondContact OD1-N 3.02Å; F703-L707 PolarHBondContact O-N 3.5Å
704	M	98.6	Very high	97.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-74.5	-36.2	-179.7	-68.9	-55.3	-58.7	0	0	113.2	I594 A597 L598 I641 D700 G701 S702 L707 L708	I594-M704 HydrophobicContact CB-SD 4.17Å; I594-M704 HydrophobicContact CG1-SD 3.78Å; I594-M704 HydrophobicContact CG2-CE 4.22Å; I594-M704 HydrophobicContact CG2-SD 4.32Å; A597-M704 HydrophobicContact CB-CB 3.54Å; A597-M704 HydrophobicContact CB-CE 3.94Å; A597-M704 HydrophobicContact CB-CG 3.68Å; L598-M704 HydrophobicContact CD2-CE 3.67Å; L598-M704 HydrophobicContact CG-CE 3.84Å; I641-M704 HydrophobicContact CD1-CE 4.07Å; I641-M704 HydrophobicContact CD1-SD 4.29Å; D700-M704 WeakPolarHBondContact O-CG 3.49Å; D700-M704 PolarHBondContact O-N 2.83Å; D700-M704 VanDerWaalsContact O-N 3.1Å; G701-M704 PolarHBondContact O-N 2.77Å; S702-M704 VanDerWaalsContact C-N 3.29Å; S702-M704 PolarHBondContact O-N 2.83Å; M704-L707 HydrophobicContact CE-CD2 4.13Å; M704-L707 PolarHBondContact O-N 3.35Å; M704-L707 HydrophobicContact SD-CD2 4.41Å; M704-L708 WeakPolarHBondContact O-CB 3.37Å; M704-L708 WeakPolarHBondContact O-CD1 3.44Å; M704-L708 WeakPolarHBondContact O-CG 3.23Å; M704-L708 PolarHBondContact O-N 3.06Å
705	D	98.4	Very high	97.9	Very high	99 Å²	99	43.2 Å²	43.2	53%	0.529	27%	0.269	S	S	.	.	H	α-helix	trans	-65.2	-40.5	177.8	-75.9	-17.9	0	0	0	111.7	G701 S702 L708 T709	G701-D705 WeakPolarHBondContact O-CB 3.46Å; G701-D705 VanDerWaalsContact O-CG 3.28Å; G701-D705 PolarHBondContact O-N 3.22Å; S702-D705 PolarHBondContact O-N 2.8Å; D705-L708 PolarHBondContact O-N 3.3Å; D705-T709 WeakPolarHBondContact O-CB 3.41Å; D705-T709 PolarHBondContact O-N 2.77Å; D705-T709 PolarHBondContact O-OG1 2.95Å
706	E	98.5	Very high	97.9	Very high	102 Å²	102	40.8 Å²	40.8	48%	0.477	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-48.2	173.2	-73.9	175.3	-137.1	0	0	111.3	V694 S702 L708 T709 L710	V694-E706 HydrophobicContact CG1-CB 4.05Å; V694-E706 HydrophobicContact CG2-CB 4.12Å; S702-E706 WeakPolarHBondContact O-CG 3.27Å; S702-E706 PolarHBondContact O-N 3.31Å; S702-E706 PolarHBondContact OG-OE1 3.25Å; E706-L708 PolarHBondContact O-N 3.26Å; E706-T709 WeakPolarHBondContact O-CB 3.27Å; E706-T709 PolarHBondContact O-N 3.38Å; E706-L710 WeakPolarHBondContact O-CG 3.47Å; E706-L710 PolarHBondContact O-N 3.38Å; E706-L710 VanDerWaalsContact O-N 3.08Å
707	L	98.8	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-46.6	177.7	175.8	62.1	0	0	0	112.2	A639 I641 P669 A671 V694 F703 M704 T709 L710 M711	A639-L707 HydrophobicContact CB-CD1 4.28Å; I641-L707 HydrophobicContact CD1-CD2 3.36Å; I641-L707 HydrophobicContact CG1-CD2 3.47Å; I641-L707 VanDerWaalsContact CG1-CD2 3.47Å; P669-L707 HydrophobicContact CB-CD1 3.61Å; A671-L707 HydrophobicContact CB-CD1 4.19Å; A671-L707 HydrophobicContact CB-CD2 3.94Å; A671-L707 HydrophobicContact CB-CG 4.46Å; V694-L707 HydrophobicContact CG2-CB 4.24Å; F703-L707 PolarHBondContact O-N 3.5Å; M704-L707 HydrophobicContact CE-CD2 4.13Å; M704-L707 PolarHBondContact O-N 3.35Å; M704-L707 HydrophobicContact SD-CD2 4.41Å; L707-T709 VanDerWaalsContact C-N 3.27Å; L707-T709 PolarHBondContact O-N 3.12Å; L707-L710 WeakPolarHBondContact O-CB 3.37Å; L707-L710 PolarHBondContact O-N 2.75Å; L707-M711 HydrophobicContact CD1-CG 4.31Å; L707-M711 HydrophobicContact CG-CG 4.47Å; L707-M711 HydrophobicContact CG-SD 4.31Å; L707-M711 WeakPolarHBondContact O-CG 3.37Å; L707-M711 PolarHBondContact O-N 2.83Å
708	L	98.7	Very high	98	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-33.6	-179.2	-73.4	163.7	0	0	0	111.7	V573 A597 L598 K601 V603 M704 D705 E706 M711 A712	V573-L708 HydrophobicContact CG2-CD2 4.36Å; A597-L708 HydrophobicContact CB-CD1 4.48Å; L598-L708 HydrophobicContact CD2-CD2 4.32Å; K601-L708 HydrophobicContact CB-CD2 4.2Å; K601-L708 HydrophobicContact CG-CD1 3.83Å; K601-L708 HydrophobicContact CG-CD2 4.09Å; V603-L708 HydrophobicContact CG2-CD2 3.98Å; M704-L708 WeakPolarHBondContact O-CB 3.37Å; M704-L708 WeakPolarHBondContact O-CD1 3.44Å; M704-L708 WeakPolarHBondContact O-CG 3.23Å; M704-L708 PolarHBondContact O-N 3.06Å; D705-L708 PolarHBondContact O-N 3.3Å; E706-L708 PolarHBondContact O-N 3.26Å; L708-M711 PolarHBondContact O-N 2.8Å; L708-A712 PolarHBondContact O-N 3.29Å
709	T	98.5	Very high	98	Very high	99 Å²	99	38 Å²	38	61%	0.607	24%	0.238	S	C	*	.	H	α-helix	trans	-64.2	-44.6	173	-59.1	0	0	0	0	111.1	D705 E706 L707 M711 A712 A713	D705-T709 WeakPolarHBondContact O-CB 3.41Å; D705-T709 PolarHBondContact O-N 2.77Å; D705-T709 PolarHBondContact O-OG1 2.95Å; E706-T709 WeakPolarHBondContact O-CB 3.27Å; E706-T709 PolarHBondContact O-N 3.38Å; L707-T709 VanDerWaalsContact C-N 3.27Å; L707-T709 PolarHBondContact O-N 3.12Å; T709-M711 PolarHBondContact O-N 3.42Å; T709-A712 WeakPolarHBondContact O-CB 3.32Å; T709-A712 PolarHBondContact O-N 3.27Å; T709-A713 PolarHBondContact O-N 2.81Å
710	L	98.6	Very high	98.1	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-39.6	175.3	-68	166.8	0	0	0	112.3	P669 E691 V694 E706 L707 A712 A713 H714	P669-L710 HydrophobicContact CB-CB 3.89Å; P669-L710 HydrophobicContact CB-CD1 4.4Å; P669-L710 HydrophobicContact CG-CB 3.77Å; E691-L710 WeakPolarHBondContact OE1-CD2 3.5Å; V694-L710 HydrophobicContact CG2-CD1 3.51Å; E706-L710 WeakPolarHBondContact O-CG 3.47Å; E706-L710 PolarHBondContact O-N 3.38Å; E706-L710 VanDerWaalsContact O-N 3.08Å; L707-L710 WeakPolarHBondContact O-CB 3.37Å; L707-L710 PolarHBondContact O-N 2.75Å; L710-A712 VanDerWaalsContact C-N 3.31Å; L710-A712 PolarHBondContact O-N 2.65Å; L710-A713 PolarHBondContact O-N 2.8Å; L710-H714 PolarHBondContact O-N 2.74Å
711	M	98.8	Very high	98.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-35	176.3	-72.8	-174.8	69	0	0	112.6	V573 R576 V578 V603 D638 A639 P669 L707 L708 T709 A713 H714	V573-M711 HydrophobicContact CG1-CB 3.84Å; R576-M711 HydrophobicContact CB-CE 3.85Å; R576-M711 PolarHBondContact NH1-O 2.94Å; V578-M711 HydrophobicContact CG2-CE 3.53Å; V578-M711 HydrophobicContact CG2-SD 3.67Å; V603-M711 HydrophobicContact CG1-CE 3.78Å; D638-M711 HydrophobicContact CB-CE 4.19Å; A639-M711 HydrophobicContact CB-CE 4.25Å; A639-M711 HydrophobicContact CB-CG 3.9Å; A639-M711 HydrophobicContact CB-SD 3.87Å; P669-M711 HydrophobicContact CG-CG 4.19Å; L707-M711 HydrophobicContact CD1-CG 4.31Å; L707-M711 HydrophobicContact CG-CG 4.47Å; L707-M711 HydrophobicContact CG-SD 4.31Å; L707-M711 WeakPolarHBondContact O-CG 3.37Å; L707-M711 PolarHBondContact O-N 2.83Å; L708-M711 PolarHBondContact O-N 2.8Å; T709-M711 PolarHBondContact O-N 3.42Å; M711-A713 VanDerWaalsContact C-N 3.29Å; M711-A713 PolarHBondContact O-N 3.36Å; M711-H714 WeakPolarHBondContact O-CA 3.41Å; M711-H714 PolarHBondContact O-N 3.4Å
712	A	98.5	Very high	98.4	Very high	58 Å²	58	41.2 Å²	41.2	48%	0.479	25%	0.246	S	C	.	.	H	α-helix	trans	-65.5	-32.7	174.9	0	0	0	0	0	111.8	V573 L708 T709 L710 H714	V573-A712 HydrophobicContact CG1-CB 3.9Å; L708-A712 PolarHBondContact O-N 3.29Å; T709-A712 WeakPolarHBondContact O-CB 3.32Å; T709-A712 PolarHBondContact O-N 3.27Å; L710-A712 VanDerWaalsContact C-N 3.31Å; L710-A712 PolarHBondContact O-N 2.65Å; A712-H714 PolarHBondContact O-N 2.81Å
713	A	98.5	Very high	98.4	Very high	57 Å²	57	39.3 Å²	39.3	47%	0.471	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	3.2	171	0	0	0	0	0	114	T709 L710 M711 R715	T709-A713 PolarHBondContact O-N 2.81Å; L710-A713 PolarHBondContact O-N 2.8Å; M711-A713 VanDerWaalsContact C-N 3.29Å; M711-A713 PolarHBondContact O-N 3.36Å; A713-R715 PolarHBondContact O-N 2.89Å
714	H	98.7	Very high	98.2	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.032	26%	0.259	C	S	.	.			trans	67.3	-56.2	179.9	-175.9	45.2	0	0	0	115.9	S276 Y566 R576 L710 M711 A712	S276-H714 PolarHBondContact O-NE2 3.23Å; Y566-H714 AromaticContact CE1-CD2 3.75Å; Y566-H714 AromaticContact CZ-CD2 4Å; R576-H714 PolarHBondContact NH1-ND1 3.36Å; L710-H714 PolarHBondContact O-N 2.74Å; M711-H714 WeakPolarHBondContact O-CA 3.41Å; M711-H714 PolarHBondContact O-N 3.4Å; A712-H714 PolarHBondContact O-N 2.81Å
715	R	98.8	Very high	98	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.019	28%	0.284	C	S	.	.	S	Bend	trans	-143.3	159.6	-179.2	-60.1	-65.8	173.1	91.6	3.6	111.1	E281 H666 L667 A713 W717	E281-R715 VanDerWaalsContact CD-NH2 3.33Å; E281-R715 IonicContact OE1-CZ 2.73Å; E281-R715 IonicContact OE1-NH2 3.7Å; E281-R715 PolarHBondContact OE1-NH2 2.97Å; E281-R715 VanDerWaalsContact OE1-NH2 3.14Å; E281-R715 IonicContact OE2-CZ 3.48Å; E281-R715 IonicContact OE2-NH1 3.05Å; E281-R715 PolarHBondContact OE2-NH1 2.87Å; E281-R715 IonicContact OE2-NH2 3.68Å; E281-R715 PolarHBondContact OE2-NH2 3.4Å; H666-R715 WeakPolarHBondContact O-CD 3.34Å; H666-R715 PolarHBondContact O-NH1 3.27Å; L667-R715 HydrophobicContact CB-CB 3.94Å; L667-R715 HydrophobicContact CB-CG 4.49Å; L667-R715 CarbonylContact O-C 3.56Å; L667-R715 WeakPolarHBondContact O-CA 3.19Å; A713-R715 PolarHBondContact O-N 2.89Å; R715-W717 HydrophobicContact CB-CD2 3.98Å; R715-W717 HydrophobicContact CB-CE3 3.83Å; R715-W717 HydrophobicContact CB-CH2 3.52Å; R715-W717 HydrophobicContact CB-CZ2 3.65Å; R715-W717 HydrophobicContact CB-CZ3 3.6Å; R715-W717 HydrophobicContact CG-CH2 3.56Å; R715-W717 HydrophobicContact CG-CZ2 4.02Å; R715-W717 HydrophobicContact CG-CZ3 3.88Å; R715-W717 PolarHBondContact O-N 3.3Å
716	V	98.7	Very high	97.9	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	26%	0.261	C	S	.	.			trans	-92.3	74.9	-179.5	-169.6	0	0	0	0	109.4	L667 P669 S718 R719	L667-V716 PolarHBondContact O-N 3.33Å; P669-V716 HydrophobicContact CG-CG2 4.41Å; V716-S718 PolarHBondContact O-N 3.15Å; V716-S718 VanDerWaalsContact O-N 3.13Å; V716-R719 HydrophobicContact CB-CB 4.44Å; V716-R719 HydrophobicContact CG1-CB 4.19Å; V716-R719 VanDerWaalsContact O-CB 3.24Å; V716-R719 WeakPolarHBondContact O-CB 3.41Å; V716-R719 PolarHBondContact O-N 3.4Å
717	W	98.5	Very high	97.8	Very high	45 Å²	45	45.9 Å²	45.9	17%	0.17	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.9	-29.9	-173.9	-47.9	117.3	0	0	0	113.9	F493 Y566 L667 R715 R719 I720	F493-W717 HydrophobicContact CD1-CB 3.9Å; F493-W717 HydrophobicContact CD1-CG 4.06Å; F493-W717 AromaticContact CD2-CD2 3.85Å; F493-W717 HydrophobicContact CD2-CD2 3.85Å; F493-W717 AromaticContact CD2-CE3 3.72Å; F493-W717 HydrophobicContact CD2-CE3 3.72Å; F493-W717 HydrophobicContact CD2-CG 4.24Å; F493-W717 HydrophobicContact CD2-CZ3 4.18Å; F493-W717 HydrophobicContact CE1-CB 4.02Å; F493-W717 AromaticContact CE1-CD1 3.84Å; F493-W717 HydrophobicContact CE1-CD2 4.23Å; F493-W717 AromaticContact CE1-CG 3.75Å; F493-W717 HydrophobicContact CE1-CG 3.75Å; F493-W717 AromaticContact CE2-CD2 3.49Å; F493-W717 HydrophobicContact CE2-CD2 3.49Å; F493-W717 VanDerWaalsContact CE2-CD2 3.49Å; F493-W717 AromaticContact CE2-CE2 3.63Å; F493-W717 AromaticContact CE2-CE3 3.74Å; F493-W717 HydrophobicContact CE2-CE3 3.74Å; F493-W717 AromaticContact CE2-CG 3.93Å; F493-W717 HydrophobicContact CE2-CG 3.93Å; F493-W717 HydrophobicContact CE2-CH2 4.18Å; F493-W717 AromaticContact CE2-CZ2 3.98Å; F493-W717 HydrophobicContact CE2-CZ2 3.98Å; F493-W717 HydrophobicContact CE2-CZ3 4.08Å; F493-W717 HydrophobicContact CG-CB 4.2Å; F493-W717 HydrophobicContact CG-CD2 4.34Å; F493-W717 HydrophobicContact CG-CE3 4.36Å; F493-W717 HydrophobicContact CG-CG 4.29Å; F493-W717 HydrophobicContact CZ-CB 4.41Å; F493-W717 AromaticContact CZ-CD1 3.67Å; F493-W717 AromaticContact CZ-CD2 3.72Å; F493-W717 HydrophobicContact CZ-CD2 3.72Å; F493-W717 AromaticContact CZ-CE2 3.72Å; F493-W717 HydrophobicContact CZ-CE3 4.41Å; F493-W717 AromaticContact CZ-CG 3.69Å; F493-W717 HydrophobicContact CZ-CG 3.69Å; F493-W717 HydrophobicContact CZ-CZ2 4.38Å; F493-W717 AromaticContact CZ-NE1 3.7Å; Y566-W717 AromaticContact CD1-CZ2 4Å; Y566-W717 HydrophobicContact CD1-CZ2 4Å; Y566-W717 HydrophobicContact CD2-CH2 4.3Å; Y566-W717 AromaticContact CD2-CZ2 3.95Å; Y566-W717 HydrophobicContact CD2-CZ2 3.95Å; Y566-W717 HydrophobicContact CE1-CH2 4.38Å; Y566-W717 AromaticContact CE1-CZ2 3.92Å; Y566-W717 HydrophobicContact CE1-CZ2 3.92Å; Y566-W717 AromaticContact CE2-CH2 3.8Å; Y566-W717 HydrophobicContact CE2-CH2 3.8Å; Y566-W717 AromaticContact CE2-CZ2 3.84Å; Y566-W717 HydrophobicContact CE2-CZ2 3.84Å; Y566-W717 HydrophobicContact CG-CZ2 4.01Å; Y566-W717 AromaticContact CZ-CH2 3.84Å; Y566-W717 AromaticContact CZ-CZ2 3.81Å; L667-W717 HydrophobicContact CD1-CE3 3.78Å; L667-W717 HydrophobicContact CD1-CZ3 4.03Å; R715-W717 HydrophobicContact CB-CD2 3.98Å; R715-W717 HydrophobicContact CB-CE3 3.83Å; R715-W717 HydrophobicContact CB-CH2 3.52Å; R715-W717 HydrophobicContact CB-CZ2 3.65Å; R715-W717 HydrophobicContact CB-CZ3 3.6Å; R715-W717 HydrophobicContact CG-CH2 3.56Å; R715-W717 HydrophobicContact CG-CZ2 4.02Å; R715-W717 HydrophobicContact CG-CZ3 3.88Å; R715-W717 PolarHBondContact O-N 3.3Å; W717-R719 PolarHBondContact O-N 3.05Å; W717-R719 VanDerWaalsContact O-N 3.11Å; W717-I720 WeakPolarHBondContact O-CG1 3.27Å; W717-I720 PolarHBondContact O-N 3.1Å
718	S	98	Very high	97.5	Very high	79 Å²	79	47.3 Å²	47.3	55%	0.552	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-62.3	-15.9	176	58.9	0	0	0	0	113.7	V716 P721	V716-S718 PolarHBondContact O-N 3.15Å; V716-S718 VanDerWaalsContact O-N 3.13Å; S718-P721 WeakPolarHBondContact O-CD 3.34Å
719	R	98.5	Very high	97.5	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.011	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-81.6	-15.6	179.7	-171	-178.3	-69.2	158.6	7	113.8	Y664 L667 K668 E690 G692 V716 W717 P721 K722 I723	Y664-R719 HydrophobicContact CE1-CG 3.93Å; Y664-R719 VanDerWaalsContact CE2-CD 3.44Å; Y664-R719 HydrophobicContact CE2-CG 4.16Å; Y664-R719 VanDerWaalsContact CE2-NE 3.3Å; Y664-R719 VanDerWaalsContact CZ-CD 3.43Å; Y664-R719 WeakPolarHBondContact O-CD 3.34Å; L667-R719 HydrophobicContact CD2-CB 3.95Å; L667-R719 HydrophobicContact CD2-CG 4.36Å; K668-R719 PolarHBondContact O-NH1 2.79Å; E690-R719 IonicContact OE1-NE 3.57Å; G692-R719 PolarHBondContact O-NH2 2.92Å; V716-R719 HydrophobicContact CB-CB 4.44Å; V716-R719 HydrophobicContact CG1-CB 4.19Å; V716-R719 VanDerWaalsContact O-CB 3.24Å; V716-R719 WeakPolarHBondContact O-CB 3.41Å; V716-R719 PolarHBondContact O-N 3.4Å; W717-R719 PolarHBondContact O-N 3.05Å; W717-R719 VanDerWaalsContact O-N 3.11Å; R719-P721 VanDerWaalsContact C-CD 3.43Å; R719-P721 VanDerWaalsContact C-N 3.33Å; R719-P721 VanDerWaalsContact O-N 3.13Å; R719-K722 HydrophobicContact CG-CB 4.37Å; R719-K722 WeakPolarHBondContact O-CA 3.47Å; R719-K722 WeakPolarHBondContact O-CB 3.48Å; R719-K722 PolarHBondContact O-N 3.34Å; R719-I723 HydrophobicContact CG-CG2 4.08Å
720	I	98.3	Very high	97.4	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.072	27%	0.274	C	S	.	.	H	α-helix	trans	-46.6	-46.1	-177.2	-71.2	168.2	0	0	0	113.4	F493 L667 W717 K722 I723	F493-I720 HydrophobicContact CB-CD1 3.52Å; F493-I720 HydrophobicContact CG-CD1 4.44Å; L667-I720 HydrophobicContact CD1-CD1 4.08Å; L667-I720 HydrophobicContact CD1-CG1 3.63Å; L667-I720 HydrophobicContact CD2-CG1 3.93Å; L667-I720 HydrophobicContact CG-CG1 4.44Å; W717-I720 WeakPolarHBondContact O-CG1 3.27Å; W717-I720 PolarHBondContact O-N 3.1Å; I720-K722 PolarHBondContact O-N 3.09Å; I720-I723 WeakPolarHBondContact O-CG1 3.43Å; I720-I723 PolarHBondContact O-N 2.88Å
721	P	97.3	Very high	97.3	Very high	109 Å²	109	47.8 Å²	47.8	71%	0.708	28%	0.283	S	S	*	.	H	α-helix	trans	-64.6	-11.8	179.8	-22.2	35	0	0	0	114.9	S718 R719	S718-P721 WeakPolarHBondContact O-CD 3.34Å; R719-P721 VanDerWaalsContact C-CD 3.43Å; R719-P721 VanDerWaalsContact C-N 3.33Å; R719-P721 VanDerWaalsContact O-N 3.13Å
722	K	97.6	Very high	97.3	Very high	75 Å²	75	50.6 Å²	50.6	33%	0.326	30%	0.3	S	S	.	.	H	α-helix	trans	-97.8	-18.8	-177.9	-59.3	-175.3	176	177	0	113.3	Y664 E690 R719 I720 K725	Y664-K722 HydrophobicContact CE1-CB 4.46Å; Y664-K722 WeakPolarHBondContact OH-CD 3.09Å; E690-K722 VanDerWaalsContact CD-NZ 3.27Å; E690-K722 IonicContact OE1-NZ 3.79Å; E690-K722 WeakPolarHBondContact OE2-CD 3.35Å; E690-K722 IonicContact OE2-NZ 2.61Å; E690-K722 PolarHBondContact OE2-NZ 3.23Å; R719-K722 HydrophobicContact CG-CB 4.37Å; R719-K722 WeakPolarHBondContact O-CA 3.47Å; R719-K722 WeakPolarHBondContact O-CB 3.48Å; R719-K722 PolarHBondContact O-N 3.34Å; I720-K722 PolarHBondContact O-N 3.09Å; K722-K725 WeakPolarHBondContact O-CE 3.4Å; K722-K725 WeakPolarHBondContact O-CG 3.32Å
723	I	98	Very high	97.2	Very high	28 Å²	28	50.1 Å²	50.1	14%	0.144	29%	0.288	C	S	.	.	H	α-helix	trans	-79	-28.2	-170.6	74.7	-177	0	0	0	113	K665 L667 R719 I720 K725 I726	K665-I723 HydrophobicContact CG-CB 4.33Å; K665-I723 WeakPolarHBondContact O-CD1 3.5Å; L667-I723 HydrophobicContact CD2-CD1 4.28Å; L667-I723 HydrophobicContact CD2-CG2 3.81Å; R719-I723 HydrophobicContact CG-CG2 4.08Å; I720-I723 WeakPolarHBondContact O-CG1 3.43Å; I720-I723 PolarHBondContact O-N 2.88Å; I723-K725 PolarHBondContact O-N 3.13Å; I723-I726 WeakPolarHBondContact O-CB 3.17Å; I723-I726 PolarHBondContact O-N 2.94Å
724	D	93	Very high	97.1	Very high	116 Å²	116	49.7 Å²	49.7	62%	0.62	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.1	-176.7	-66.9	-3.6	0	0	0	113.2	R496	R496-D724 IonicContact NH2-OD2 3.91Å
725	K	94.4	Very high	97	Very high	122 Å²	122	52.7 Å²	52.7	53%	0.53	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-0.1	176.9	61.1	169.7	-176.1	175	0	114.2	K684 K722 I723	K684-K725 PolarHBondContact NZ-O 3.23Å; K722-K725 WeakPolarHBondContact O-CE 3.4Å; K722-K725 WeakPolarHBondContact O-CG 3.32Å; I723-K725 PolarHBondContact O-N 3.13Å
726	I	96.8	Very high	96.8	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.051	32%	0.315	C	S	.	.	S	Bend	trans	-92.8	119.6	179	-56.5	-58.6	0	0	0	108.2	M661 Y664 K684 I723 A728	M661-I726 HydrophobicContact CB-CG2 4.36Å; M661-I726 HydrophobicContact CE-CG2 4.27Å; Y664-I726 HydrophobicContact CD1-CD1 4.42Å; Y664-I726 HydrophobicContact CD1-CG1 3.92Å; Y664-I726 HydrophobicContact CE1-CD1 4.2Å; Y664-I726 HydrophobicContact CE1-CG1 3.88Å; K684-I726 HydrophobicContact CB-CD1 4.21Å; K684-I726 HydrophobicContact CD-CD1 4Å; K684-I726 HydrophobicContact CG-CD1 4.15Å; I723-I726 WeakPolarHBondContact O-CB 3.17Å; I723-I726 PolarHBondContact O-N 2.94Å; I726-A728 VanDerWaalsContact C-N 3.3Å; I726-A728 HydrophobicContact CG2-CB 4Å; I726-A728 PolarHBondContact O-N 3.02Å
727	P	96.6	Very high	96.7	Very high	96 Å²	96	60.6 Å²	60.6	62%	0.623	34%	0.338	S	S	*	.			trans	-83	74.3	-177.5	33.7	-33.5	0	0	0	110.6	M661	M661-P727 HydrophobicContact CE-CG 3.83Å; M661-P727 VanDerWaalsContact CE-O 3.27Å; M661-P727 WeakPolarHBondContact CE-O 3.43Å
728	A	93.3	Very high	96.5	Very high	30 Å²	30	62 Å²	62	25%	0.248	35%	0.353	C	S	.	.			trans	-139	0	-177.2	0	0	0	0	0	113	K284 Y658 M661 K665 I726	K284-A728 PolarHBondContact NZ-OXT 2.86Å; Y658-A728 HydrophobicContact CE2-CB 4.28Å; Y658-A728 PolarHBondContact OH-OXT 3.08Å; M661-A728 HydrophobicContact CB-CB 3.84Å; M661-A728 HydrophobicContact CE-CB 4.33Å; K665-A728 HydrophobicContact CB-CB 4.4Å; K665-A728 HydrophobicContact CD-CB 4.07Å; K665-A728 VanDerWaalsContact CD-O 3.28Å; K665-A728 WeakPolarHBondContact CD-O 3.28Å; K665-A728 WeakPolarHBondContact CE-O 3.33Å; K665-A728 PolarHBondContact NZ-O 3.24Å; I726-A728 VanDerWaalsContact C-N 3.3Å; I726-A728 HydrophobicContact CG2-CB 4Å; I726-A728 PolarHBondContact O-N 3.02Å

Retrieved 728 of 728 residues in 956.2 ms (Link to these results)

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