A0A093HJF2_STRCA Loading...

Carboxypeptidase N catalytic chain

Protects the body from potent vasoactive and inflammatory peptides containing C-terminal Arg or Lys (such as kinins or anaphylatoxins) which are released into the circulation.

AlphaFold DB , UniProt , Accession A0A093HJF2, Species STRCA (Struthio camelus australis), Gene n/a, Length 453 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.4	Very low	42.7	Very low	253 Å²	253	157.4 Å²	157.4	100%	1.246	78%	0.784	S	S	*	*				0	67	0	-66.4	-176.3	-170.9	0	0	109.2
2	A	42.7	Very low	42.3	Very low	98 Å²	98	156.2 Å²	156.2	81%	0.81	78%	0.781	S	S	*	*			trans	-146.2	63.7	-170.8	0	0	0	0	0	108.9
3	R	47.5	Very low	42.1	Very low	234 Å²	234	154.9 Å²	154.9	88%	0.883	78%	0.777	S	S	*	*			trans	-161.3	88.7	171.5	-73.4	-165.1	178.1	-177.2	-1.8	107
4	L	48.8	Very low	41.7	Very low	158 Å²	158	154.4 Å²	154.4	83%	0.827	78%	0.777	S	S	*	*	S	Bend	trans	-176.5	14	163.1	-101.2	149.9	0	0	0	115.3
5	L	46.1	Very low	41.4	Very low	159 Å²	159	153.6 Å²	153.6	83%	0.832	78%	0.775	S	S	*	*	S	Bend	trans	-120.3	30.7	-176.4	-76.7	171	0	0	0	114.7
6	W	44.2	Very low	41.3	Very low	213 Å²	213	155.1 Å²	155.1	81%	0.807	78%	0.778	S	S	*	*	S	Bend	trans	-118.6	-12.3	175.6	-141	-23.2	0	0	0	117.1
7	P	39.7	Very low	41	Very low	86 Å²	86	153.5 Å²	153.5	56%	0.558	78%	0.778	S	S	*	*	S	Bend	trans	-82.6	-17.9	175.3	17	-6.4	0	0	0	113.7
8	L	41.7	Very low	40.8	Very low	124 Å²	124	149.4 Å²	149.4	65%	0.649	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-18	-173.9	-84	152.1	0	0	0	114.8
9	V	41.9	Very low	40.8	Very low	95 Å²	95	144.9 Å²	144.9	58%	0.576	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-17.4	177.6	-179.9	0	0	0	0	112.3
10	R	36.5	Very low	40.7	Very low	197 Å²	197	143.1 Å²	143.1	74%	0.743	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-16.7	176.3	-83.7	-171.5	171.2	-168.8	-2.6	114.6
11	V	37.7	Very low	41.3	Very low	114 Å²	114	139 Å²	139	69%	0.691	74%	0.735	S	S	*	*	S	Bend	trans	-86.7	-15.1	176.2	-179.5	0	0	0	0	111.8
12	L	37.1	Very low	42.8	Very low	143 Å²	143	131.5 Å²	131.5	75%	0.749	70%	0.699	S	S	*	*	S	Bend	trans	-97.8	6.7	176.5	-100.5	142	0	0	0	114.3
13	L	39.7	Very low	45	Very low	140 Å²	140	128.4 Å²	128.4	73%	0.733	67%	0.668	S	S	*	*	S	Bend	trans	-123.1	17.3	178.2	-101.8	152.4	0	0	0	112.9
14	L	37.6	Very low	47.2	Very low	147 Å²	147	120.9 Å²	120.9	77%	0.77	65%	0.645	S	S	*	*			trans	-121.6	32.2	172.7	-75.8	167.6	0	0	0	111.4	E16	L14-E16 VanDerWaalsContact C-N 3.34Å
15	L	36.5	Very low	49.5	Very low	143 Å²	143	114.3 Å²	114.3	75%	0.749	61%	0.61	S	S	*	*			trans	-101.2	70.9	152.7	-84	150.1	0	0	0	105.3	V17	L15-V17 PolarHBondContact O-N 3.46Å
16	E	39.2	Very low	51.9	Low	178 Å²	178	108.4 Å²	108.4	83%	0.832	58%	0.578	S	S	*	*			trans	-54.7	109.6	142.2	-84.7	-179.5	164.8	0	0	103.7	L14 A18	L14-E16 VanDerWaalsContact C-N 3.34Å; E16-A18 PolarHBondContact O-N 3.44Å
17	V	37.3	Very low	54.5	Low	128 Å²	128	103.7 Å²	103.7	78%	0.776	56%	0.56	S	S	*	*			trans	-60.7	88.7	160.4	-178.7	0	0	0	0	103.1	L15 A19	L15-V17 PolarHBondContact O-N 3.46Å; V17-A19 PolarHBondContact O-N 3.24Å
18	A	37.8	Very low	57.3	Low	80 Å²	80	100.5 Å²	100.5	66%	0.661	54%	0.537	S	S	*	.			trans	-52	104.7	152.2	0	0	0	0	0	102.6	E16 T20	E16-A18 PolarHBondContact O-N 3.44Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.2Å
19	A	39.3	Very low	60	Low	63 Å²	63	100.4 Å²	100.4	52%	0.521	53%	0.533	S	S	.	.			trans	-50	113.3	167.5	0	0	0	0	0	103.9	V17 V21	V17-A19 PolarHBondContact O-N 3.24Å; A19-V21 PolarHBondContact O-N 2.92Å
20	T	40.2	Very low	62.7	Low	108 Å²	108	100.1 Å²	100.1	66%	0.663	53%	0.525	S	S	*	.			trans	-58	112.7	172	45.6	0	0	0	0	104.2	A18 N22	A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.2Å; T20-N22 VanDerWaalsContact C-N 3.33Å; T20-N22 PolarHBondContact O-N 3.04Å; T20-N22 PolarHBondContact O-OD1 2.9Å; T20-N22 VanDerWaalsContact O-OD1 3.12Å; T20-N22 PolarHBondContact OG1-OD1 3.47Å; T20-N22 VanDerWaalsContact OG1-OD1 3.14Å
21	V	52.5	Low	65.6	Low	59 Å²	59	90.9 Å²	90.9	36%	0.358	49%	0.491	S	S	.	.			trans	-56.8	104.9	173.8	-179.7	0	0	0	0	105.3	A19 F23	A19-V21 PolarHBondContact O-N 2.92Å; V21-F23 HydrophobicContact CB-CD2 4.37Å; V21-F23 HydrophobicContact CB-CE2 3.82Å; V21-F23 HydrophobicContact CB-CZ 4.29Å; V21-F23 HydrophobicContact CG1-CD2 3.97Å; V21-F23 HydrophobicContact CG1-CE1 4.03Å; V21-F23 HydrophobicContact CG1-CE2 3.38Å; V21-F23 HydrophobicContact CG1-CZ 3.42Å; V21-F23 VanDerWaalsContact CG1-CZ 3.42Å; V21-F23 WeakPolarHBondContact O-CD2 3.05Å; V21-F23 PolarHBondContact O-N 2.85Å; V21-F23 VanDerWaalsContact O-N 3.14Å
22	N	75.3	Confident	68.5	Low	94 Å²	94	86.3 Å²	86.3	50%	0.503	46%	0.463	S	S	.	.			trans	-84.9	97.2	-173.5	-76.8	-20.2	0	0	0	107.4	T20 L24	T20-N22 VanDerWaalsContact C-N 3.33Å; T20-N22 PolarHBondContact O-N 3.04Å; T20-N22 PolarHBondContact O-OD1 2.9Å; T20-N22 VanDerWaalsContact O-OD1 3.12Å; T20-N22 PolarHBondContact OG1-OD1 3.47Å; T20-N22 VanDerWaalsContact OG1-OD1 3.14Å; N22-L24 HydrophobicContact CB-CD1 4Å; N22-L24 HydrophobicContact CB-CG 4.31Å; N22-L24 PolarHBondContact O-N 2.82Å; N22-L24 VanDerWaalsContact O-N 3.09Å
23	F	89.5	Confident	71.4	Confident	33 Å²	33	85.7 Å²	85.7	15%	0.145	46%	0.456	C	S	.	.			trans	-77.8	86.9	171.9	-69.6	-76.3	0	0	0	109.6	V21 Q98 L320 E321 W324	V21-F23 HydrophobicContact CB-CD2 4.37Å; V21-F23 HydrophobicContact CB-CE2 3.82Å; V21-F23 HydrophobicContact CB-CZ 4.29Å; V21-F23 HydrophobicContact CG1-CD2 3.97Å; V21-F23 HydrophobicContact CG1-CE1 4.03Å; V21-F23 HydrophobicContact CG1-CE2 3.38Å; V21-F23 HydrophobicContact CG1-CZ 3.42Å; V21-F23 VanDerWaalsContact CG1-CZ 3.42Å; V21-F23 WeakPolarHBondContact O-CD2 3.05Å; V21-F23 PolarHBondContact O-N 2.85Å; V21-F23 VanDerWaalsContact O-N 3.14Å; F23-Q98 HydrophobicContact CD1-CG 4.41Å; F23-Q98 HydrophobicContact CE1-CG 4.12Å; F23-L320 HydrophobicContact CB-CB 3.91Å; F23-L320 HydrophobicContact CD1-CB 4.2Å; F23-L320 HydrophobicContact CG-CB 4.46Å; F23-E321 HydrophobicContact CB-CB 4.44Å; F23-E321 HydrophobicContact CD1-CB 4.16Å; F23-E321 HydrophobicContact CD2-CB 3.52Å; F23-E321 HydrophobicContact CD2-CG 3.86Å; F23-E321 HydrophobicContact CE1-CB 4.31Å; F23-E321 HydrophobicContact CE2-CB 3.66Å; F23-E321 HydrophobicContact CE2-CG 3.48Å; F23-E321 VanDerWaalsContact CE2-CG 3.48Å; F23-E321 HydrophobicContact CG-CB 3.78Å; F23-E321 HydrophobicContact CZ-CB 4.06Å; F23-E321 HydrophobicContact CZ-CG 3.89Å; F23-W324 HydrophobicContact CD1-CB 4.49Å; F23-W324 HydrophobicContact CE1-CB 3.61Å; F23-W324 AromaticContact CE1-CD1 3.76Å; F23-W324 AromaticContact CE1-CG 3.81Å; F23-W324 HydrophobicContact CE1-CG 3.81Å; F23-W324 HydrophobicContact CZ-CB 4.25Å; F23-W324 AromaticContact CZ-CD1 3.62Å; F23-W324 HydrophobicContact CZ-CG 4.15Å
24	L	93.4	Very high	74.2	Confident	76 Å²	76	80.3 Å²	80.3	40%	0.398	43%	0.432	S	S	.	.			trans	-132.5	163.6	-178.8	-60.2	169.5	0	0	0	109.8	N22 H26 E317	N22-L24 HydrophobicContact CB-CD1 4Å; N22-L24 HydrophobicContact CB-CG 4.31Å; N22-L24 PolarHBondContact O-N 2.82Å; N22-L24 VanDerWaalsContact O-N 3.09Å; L24-H26 PolarHBondContact O-CE1 2.86Å; L24-H26 PolarHBondContact O-ND1 3.18Å; L24-E317 VanDerWaalsContact CD2-OE2 3.26Å; L24-E317 WeakPolarHBondContact CD2-OE2 3.37Å
25	H	96.6	Very high	77.1	Confident	21 Å²	21	73.3 Å²	73.3	10%	0.097	40%	0.396	C	S	.	.			trans	-81	124.2	170.1	-64.8	-56.3	0	0	0	111.1	F314 P315 E317	H25-F314 AromaticContact CD2-CE1 3.58Å; H25-F314 AromaticContact CE1-CD1 3.86Å; H25-F314 AromaticContact CE1-CE1 3.57Å; H25-F314 AromaticContact CG-CE1 3.69Å; H25-F314 AromaticContact ND1-CE1 3.7Å; H25-F314 AromaticContact NE2-CD1 3.85Å; H25-F314 AromaticContact NE2-CE1 3.48Å; H25-F314 WeakPolarHBondContact NE2-CE1 3.26Å; H25-P315 PolarHBondContact CE1-O 2.87Å; H25-P315 PolarHBondContact NE2-O 3.02Å; H25-E317 WeakPolarHBondContact CD2-CG 3.37Å; H25-E317 IonicContact CD2-OE1 3.52Å; H25-E317 IonicContact CG-OE1 3.88Å; H25-E317 PolarHBondContact N-OE1 2.75Å
26	H	97.3	Very high	80.1	Confident	34 Å²	34	70.1 Å²	70.1	16%	0.157	38%	0.376	C	S	.	.			trans	-94.8	112.6	-179.2	-62.3	82.6	0	0	0	110.8	L24 E30 M31 R93 E94 L97 Y134	L24-H26 PolarHBondContact O-CE1 2.86Å; L24-H26 PolarHBondContact O-ND1 3.18Å; H26-E30 HydrophobicContact CB-CB 4.06Å; H26-M31 HydrophobicContact CB-CB 4.14Å; H26-R93 PolarHBondContact O-NE 2.8Å; H26-R93 PolarHBondContact O-NH2 2.83Å; H26-E94 IonicContact CE1-OE2 3.88Å; H26-E94 IonicContact CG-OE2 3.34Å; H26-E94 PolarHBondContact N-OE1 2.88Å; H26-E94 VanDerWaalsContact N-OE1 3.09Å; H26-E94 PolarHBondContact N-OE2 2.77Å; H26-E94 IonicContact ND1-OE2 2.79Å; H26-E94 PolarHBondContact ND1-OE2 3.08Å; H26-L97 HydrophobicContact CB-CD1 3.79Å; H26-Y134 PolarHBondContact O-OH 3.32Å; H26-Y134 VanDerWaalsContact O-OH 3.08Å
27	R	97.5	Very high	82.9	Confident	114 Å²	114	64.3 Å²	64.3	43%	0.43	36%	0.355	S	S	.	.			trans	-62.8	172	165.2	-66.5	-165.3	177.4	-169.3	-0.6	111.7	E29 E30 M31 R93 Y134 A138	R27-E29 PolarHBondContact O-N 3.44Å; R27-E30 WeakPolarHBondContact CB-OE2 3.48Å; R27-E30 PolarHBondContact N-OE2 3.47Å; R27-E30 PolarHBondContact O-N 2.85Å; R27-E30 VanDerWaalsContact O-N 3.11Å; R27-M31 WeakPolarHBondContact O-CB 3.29Å; R27-M31 PolarHBondContact O-N 3.14Å; R27-R93 PolarHBondContact O-NH2 3.44Å; R27-Y134 HydrophobicContact CG-CE1 4.39Å; R27-A138 PolarHBondContact NH2-O 2.99Å
28	Y	98.6	Very high	85.8	Confident	19 Å²	19	58.8 Å²	58.8	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-51.7	-51.9	-172.8	-176.8	-104.1	0	0	0	113.2	E30 M31 V32 R58 H59 Y61 P131 E135	Y28-E30 VanDerWaalsContact C-N 3.33Å; Y28-E30 PolarHBondContact O-N 3.04Å; Y28-M31 HydrophobicContact CD2-CE 3.81Å; Y28-M31 HydrophobicContact CE2-CE 3.78Å; Y28-M31 PolarHBondContact O-N 2.81Å; Y28-V32 HydrophobicContact CD1-CG2 4.41Å; Y28-V32 HydrophobicContact CE1-CG2 3.96Å; Y28-V32 HydrophobicContact CE2-CG2 4.17Å; Y28-V32 VanDerWaalsContact O-CG2 3.27Å; Y28-V32 WeakPolarHBondContact O-CG2 3.5Å; Y28-V32 PolarHBondContact O-N 3.27Å; Y28-R58 HydrophobicContact CD1-CG 4.14Å; Y28-R58 HydrophobicContact CD2-CB 4.14Å; Y28-R58 HydrophobicContact CD2-CG 4.25Å; Y28-R58 HydrophobicContact CE1-CB 4.12Å; Y28-R58 HydrophobicContact CE1-CG 4.1Å; Y28-R58 HydrophobicContact CE2-CB 3.68Å; Y28-R58 HydrophobicContact CE2-CG 4.22Å; Y28-R58 HydrophobicContact CG-CG 4.21Å; Y28-H59 WeakPolarHBondContact CE2-O 3.46Å; Y28-H59 WeakPolarHBondContact OH-CA 3.19Å; Y28-H59 VanDerWaalsContact OH-CB 3.28Å; Y28-H59 WeakPolarHBondContact OH-CB 3.41Å; Y28-H59 PolarHBondContact OH-N 2.86Å; Y28-H59 PolarHBondContact OH-O 2.91Å; Y28-Y61 WeakPolarHBondContact OH-CE2 3.25Å; Y28-P131 HydrophobicContact CD2-CB 3.81Å; Y28-P131 HydrophobicContact CE2-CB 4.09Å; Y28-E135 WeakPolarHBondContact CB-OE1 3.13Å; Y28-E135 PolarHBondContact N-OE1 2.73Å
29	E	98.3	Very high	88.7	Confident	123 Å²	123	57.3 Å²	57.3	58%	0.575	30%	0.301	S	S	*	.	H	α-helix	trans	-64.4	-37.5	-180	-61.4	-57.9	148.7	0	0	112.5	R27 V32 Q33	R27-E29 PolarHBondContact O-N 3.44Å; E29-V32 PolarHBondContact O-N 3.25Å; E29-Q33 VanDerWaalsContact O-CG 3.25Å; E29-Q33 WeakPolarHBondContact O-CG 3.46Å; E29-Q33 PolarHBondContact O-N 3.11Å
30	E	98.1	Very high	91.5	Very high	88 Å²	88	60 Å²	60	41%	0.411	31%	0.306	S	S	.	.	H	α-helix	trans	-69.6	-39.5	178.7	-64.9	163.5	156	0	0	111.3	H26 R27 Y28 Q33 A34	H26-E30 HydrophobicContact CB-CB 4.06Å; R27-E30 WeakPolarHBondContact CB-OE2 3.48Å; R27-E30 PolarHBondContact N-OE2 3.47Å; R27-E30 PolarHBondContact O-N 2.85Å; R27-E30 VanDerWaalsContact O-N 3.11Å; Y28-E30 VanDerWaalsContact C-N 3.33Å; Y28-E30 PolarHBondContact O-N 3.04Å; E30-Q33 PolarHBondContact O-N 2.83Å; E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 2.82Å
31	M	98.5	Very high	94.3	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-44.1	173.3	177.1	-160.7	72.5	0	0	110.5	H26 R27 Y28 A34 L35 R93 L97 P127	H26-M31 HydrophobicContact CB-CB 4.14Å; R27-M31 WeakPolarHBondContact O-CB 3.29Å; R27-M31 PolarHBondContact O-N 3.14Å; Y28-M31 HydrophobicContact CD2-CE 3.81Å; Y28-M31 HydrophobicContact CE2-CE 3.78Å; Y28-M31 PolarHBondContact O-N 2.81Å; M31-A34 PolarHBondContact O-N 3.08Å; M31-L35 WeakPolarHBondContact O-CG 3.5Å; M31-L35 PolarHBondContact O-N 2.87Å; M31-R93 PolarHBondContact SD-NH1 3.47Å; M31-R93 VanDerWaalsContact SD-NH1 3.42Å; M31-R93 PolarHBondContact SD-NH2 3.05Å; M31-R93 VanDerWaalsContact SD-NH2 3.37Å; M31-L97 HydrophobicContact CB-CD1 4.31Å; M31-L97 HydrophobicContact CG-CD1 4.05Å; M31-L97 HydrophobicContact CG-CD2 3.89Å; M31-L97 HydrophobicContact CG-CG 4.44Å; M31-P127 HydrophobicContact CG-CB 4.41Å; M31-P127 HydrophobicContact SD-CB 4.03Å
32	V	98.6	Very high	96.4	Very high	18 Å²	18	56.3 Å²	56.3	11%	0.109	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-47.7	176	174.6	0	0	0	0	110.2	Y28 E29 A34 L35 F36 Y61	Y28-V32 HydrophobicContact CD1-CG2 4.41Å; Y28-V32 HydrophobicContact CE1-CG2 3.96Å; Y28-V32 HydrophobicContact CE2-CG2 4.17Å; Y28-V32 VanDerWaalsContact O-CG2 3.27Å; Y28-V32 WeakPolarHBondContact O-CG2 3.5Å; Y28-V32 PolarHBondContact O-N 3.27Å; E29-V32 PolarHBondContact O-N 3.25Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.65Å; V32-L35 PolarHBondContact O-N 2.81Å; V32-F36 HydrophobicContact CG1-CD2 3.72Å; V32-F36 HydrophobicContact CG1-CE2 3.82Å; V32-F36 WeakPolarHBondContact O-CD2 3.29Å; V32-F36 PolarHBondContact O-N 2.88Å; V32-Y61 HydrophobicContact CB-CE2 4.37Å; V32-Y61 HydrophobicContact CG1-CE2 3.97Å; V32-Y61 HydrophobicContact CG2-CD2 3.67Å; V32-Y61 HydrophobicContact CG2-CE2 3.46Å; V32-Y61 VanDerWaalsContact CG2-CE2 3.46Å
33	Q	98.3	Very high	97.5	Very high	130 Å²	130	55 Å²	55	61%	0.607	28%	0.275	S	S	*	.	H	α-helix	trans	-58.9	-43.6	176.7	-72.9	170.5	10.4	0	0	112.3	E29 E30 F36 S37	E29-Q33 VanDerWaalsContact O-CG 3.25Å; E29-Q33 WeakPolarHBondContact O-CG 3.46Å; E29-Q33 PolarHBondContact O-N 3.11Å; E30-Q33 PolarHBondContact O-N 2.83Å; Q33-F36 PolarHBondContact O-N 2.91Å; Q33-S37 WeakPolarHBondContact O-CB 3.11Å; Q33-S37 PolarHBondContact O-N 3.22Å
34	A	98.1	Very high	97.9	Very high	27 Å²	27	63 Å²	63	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-47.2	177.3	0	0	0	0	0	111.6	E30 M31 V32 F36 S37 V38 L97	E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 2.82Å; M31-A34 PolarHBondContact O-N 3.08Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.65Å; A34-F36 PolarHBondContact O-N 3Å; A34-S37 WeakPolarHBondContact O-CB 3.31Å; A34-S37 PolarHBondContact O-N 3.22Å; A34-V38 WeakPolarHBondContact O-CG2 3.41Å; A34-V38 PolarHBondContact O-N 2.96Å; A34-L97 HydrophobicContact CB-CD2 4.34Å
35	L	98.4	Very high	98.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-50	176.6	-67.2	177.6	0	0	0	111.6	M31 V32 S37 V38 Q39 I48 L63 L97 P127	M31-L35 WeakPolarHBondContact O-CG 3.5Å; M31-L35 PolarHBondContact O-N 2.87Å; V32-L35 PolarHBondContact O-N 2.81Å; L35-S37 VanDerWaalsContact C-N 3.26Å; L35-S37 PolarHBondContact O-N 2.7Å; L35-V38 PolarHBondContact O-N 3.12Å; L35-Q39 PolarHBondContact O-N 2.88Å; L35-I48 VanDerWaalsContact C-CD1 3.42Å; L35-I48 HydrophobicContact CB-CD1 3.85Å; L35-I48 WeakPolarHBondContact O-CD1 3.17Å; L35-L63 HydrophobicContact CD2-CB 4.03Å; L35-L63 HydrophobicContact CD2-CD2 4.04Å; L35-L97 HydrophobicContact CD2-CD2 3.72Å; L35-L97 HydrophobicContact CG-CD2 4Å; L35-P127 HydrophobicContact CD1-CG 4.23Å; L35-P127 HydrophobicContact CD2-CG 3.94Å
36	F	98.4	Very high	98.3	Very high	76 Å²	76	58.9 Å²	58.9	33%	0.333	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-30.4	178.6	-85	-82.6	0	0	0	112.6	V32 Q33 A34 Q39 N40 I48 Y61	V32-F36 HydrophobicContact CG1-CD2 3.72Å; V32-F36 HydrophobicContact CG1-CE2 3.82Å; V32-F36 WeakPolarHBondContact O-CD2 3.29Å; V32-F36 PolarHBondContact O-N 2.88Å; Q33-F36 PolarHBondContact O-N 2.91Å; A34-F36 PolarHBondContact O-N 3Å; F36-Q39 PolarHBondContact O-N 2.98Å; F36-N40 WeakPolarHBondContact O-CB 3.38Å; F36-N40 PolarHBondContact O-N 2.94Å; F36-N40 PolarHBondContact O-ND2 3.33Å; F36-N40 VanDerWaalsContact O-ND2 3.09Å; F36-I48 HydrophobicContact CB-CD1 4.29Å; F36-I48 HydrophobicContact CD1-CD1 3.91Å; F36-I48 HydrophobicContact CD2-CD1 3.99Å; F36-I48 HydrophobicContact CE1-CD1 4.21Å; F36-I48 HydrophobicContact CE2-CD1 4.27Å; F36-I48 HydrophobicContact CE2-CG2 4.34Å; F36-I48 HydrophobicContact CG-CD1 3.8Å; F36-I48 HydrophobicContact CZ-CD1 4.37Å; F36-I48 HydrophobicContact CZ-CG2 4.23Å; F36-Y61 HydrophobicContact CE2-CE1 4.29Å
37	S	98.3	Very high	98.3	Very high	56 Å²	56	61.3 Å²	61.3	39%	0.392	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-49.8	172.4	-161.9	0	0	0	0	110.8	Q33 A34 L35 Q39 N40 E41	Q33-S37 WeakPolarHBondContact O-CB 3.11Å; Q33-S37 PolarHBondContact O-N 3.22Å; A34-S37 WeakPolarHBondContact O-CB 3.31Å; A34-S37 PolarHBondContact O-N 3.22Å; L35-S37 VanDerWaalsContact C-N 3.26Å; L35-S37 PolarHBondContact O-N 2.7Å; S37-Q39 VanDerWaalsContact C-N 3.33Å; S37-Q39 PolarHBondContact O-N 2.75Å; S37-N40 PolarHBondContact O-N 2.99Å; S37-N40 VanDerWaalsContact O-N 3.12Å; S37-E41 WeakPolarHBondContact O-CG 3.41Å; S37-E41 PolarHBondContact O-N 2.58Å
38	V	98.6	Very high	98.4	Very high	12 Å²	12	57 Å²	57	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-45	176.6	175.7	0	0	0	0	111.2	A34 L35 N40 E41 C42 L63 F65 S100 E101 C104	A34-V38 WeakPolarHBondContact O-CG2 3.41Å; A34-V38 PolarHBondContact O-N 2.96Å; L35-V38 PolarHBondContact O-N 3.12Å; V38-N40 VanDerWaalsContact C-N 3.33Å; V38-N40 PolarHBondContact O-N 2.95Å; V38-E41 PolarHBondContact O-N 2.77Å; V38-C42 PolarHBondContact O-N 3.48Å; V38-L63 HydrophobicContact CB-CD2 4.16Å; V38-L63 HydrophobicContact CG1-CD2 3.79Å; V38-F65 HydrophobicContact CG1-CE1 4.4Å; V38-F65 HydrophobicContact CG1-CZ 3.79Å; V38-S100 WeakPolarHBondContact CG1-O 3.08Å; V38-E101 HydrophobicContact CG2-CB 4.37Å; V38-C104 HydrophobicContact CG1-CB 3.83Å
39	Q	98.4	Very high	98.4	Very high	48 Å²	48	57.7 Å²	57.7	22%	0.224	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-40.8	177	-176	-176.5	-53.2	0	0	112.2	L35 F36 S37 E41 C42 P43 T46 I48 L63	L35-Q39 PolarHBondContact O-N 2.88Å; F36-Q39 PolarHBondContact O-N 2.98Å; S37-Q39 VanDerWaalsContact C-N 3.33Å; S37-Q39 PolarHBondContact O-N 2.75Å; Q39-E41 VanDerWaalsContact C-N 3.27Å; Q39-E41 PolarHBondContact O-N 3.17Å; Q39-C42 CarbonylContact O-C 3.55Å; Q39-C42 PolarHBondContact O-N 2.87Å; Q39-P43 WeakPolarHBondContact O-CA 3.39Å; Q39-P43 WeakPolarHBondContact O-CB 3.13Å; Q39-T46 WeakPolarHBondContact CA-OG1 3.42Å; Q39-T46 WeakPolarHBondContact CG-OG1 3.31Å; Q39-I48 HydrophobicContact CB-CD1 3.84Å; Q39-I48 HydrophobicContact CB-CG1 4.23Å; Q39-L63 HydrophobicContact CB-CD1 4.46Å
40	N	98.4	Very high	98.4	Very high	119 Å²	119	53.8 Å²	53.8	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-66.6	-30.6	179.1	-71.9	-27.1	0	0	0	112.5	F36 S37 V38	F36-N40 WeakPolarHBondContact O-CB 3.38Å; F36-N40 PolarHBondContact O-N 2.94Å; F36-N40 PolarHBondContact O-ND2 3.33Å; F36-N40 VanDerWaalsContact O-ND2 3.09Å; S37-N40 PolarHBondContact O-N 2.99Å; S37-N40 VanDerWaalsContact O-N 3.12Å; V38-N40 VanDerWaalsContact C-N 3.33Å; V38-N40 PolarHBondContact O-N 2.95Å
41	E	98.3	Very high	98.5	Very high	84 Å²	84	50.9 Å²	50.9	39%	0.393	25%	0.254	S	S	.	.	H	α-helix	trans	-80.1	-32.7	177	-71.1	-171.2	-157.3	0	0	113.5	S37 V38 Q39 P43 R108	S37-E41 WeakPolarHBondContact O-CG 3.41Å; S37-E41 PolarHBondContact O-N 2.58Å; V38-E41 PolarHBondContact O-N 2.77Å; Q39-E41 VanDerWaalsContact C-N 3.27Å; Q39-E41 PolarHBondContact O-N 3.17Å; E41-P43 WeakPolarHBondContact O-CD 3.35Å; E41-R108 IonicContact OE2-NH1 2.69Å; E41-R108 PolarHBondContact OE2-NH1 3.37Å
42	C	98.3	Very high	98.5	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.041	27%	0.266	C	S	.	.	S	Bend	trans	-123.5	53.2	-179.8	-73.3	0	0	0	0	113.3	V38 Q39 Y44 V45 T46 C104 R108	V38-C42 PolarHBondContact O-N 3.48Å; Q39-C42 CarbonylContact O-C 3.55Å; Q39-C42 PolarHBondContact O-N 2.87Å; C42-Y44 VanDerWaalsContact C-N 3.26Å; C42-Y44 PolarHBondContact O-N 2.77Å; C42-Y44 VanDerWaalsContact O-N 3.14Å; C42-V45 HydrophobicContact CB-CG2 3.8Å; C42-V45 PolarHBondContact O-N 2.9Å; C42-V45 VanDerWaalsContact O-N 3.15Å; C42-T46 HydrophobicContact CB-CG2 4Å; C42-T46 WeakPolarHBondContact O-CB 3.47Å; C42-T46 PolarHBondContact O-N 2.84Å; C42-T46 PolarHBondContact O-OG1 3.09Å; C42-C104 HydrophobicContact CB-CB 3.91Å; C42-C104 WeakPolarHBondContact CB-SG 3.26Å; C42-C104 WeakPolarHBondContact SG-CA 3.25Å; C42-C104 WeakPolarHBondContact SG-CB 3.45Å; C42-C104 PolarHBondContact SG-O 2.79Å; C42-C104 VanDerWaalsContact SG-O 3.41Å; C42-C104 CovalentContact SG-SG 2.04Å; C42-C104 PolarHBondContact SG-SG 3.04Å; C42-R108 VanDerWaalsContact SG-CD 3.6Å
43	P	98.2	Very high	98.5	Very high	67 Å²	67	57.3 Å²	57.3	44%	0.435	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22	-166.2	27.7	-36.9	0	0	0	114.6	Q39 E41	Q39-P43 WeakPolarHBondContact O-CA 3.39Å; Q39-P43 WeakPolarHBondContact O-CB 3.13Å; E41-P43 WeakPolarHBondContact O-CD 3.35Å
44	Y	97.8	Very high	98.5	Very high	200 Å²	200	51.4 Å²	51.4	78%	0.784	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-15.5	-179.4	-60.1	-66.6	0	0	0	113.6	C42 P69	C42-Y44 VanDerWaalsContact C-N 3.26Å; C42-Y44 PolarHBondContact O-N 2.77Å; C42-Y44 VanDerWaalsContact O-N 3.14Å; Y44-P69 WeakPolarHBondContact O-CD 3.34Å
45	V	98.6	Very high	98.6	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.03	26%	0.262	C	S	.	.	S	Bend	trans	-121.8	13.2	-179.4	-59.3	0	0	0	0	112.9	C42 F65 S66 Y107 I118	C42-V45 HydrophobicContact CB-CG2 3.8Å; C42-V45 PolarHBondContact O-N 2.9Å; C42-V45 VanDerWaalsContact O-N 3.15Å; V45-F65 VanDerWaalsContact O-CA 3.27Å; V45-F65 WeakPolarHBondContact O-CA 3.49Å; V45-S66 CarbonylContact C-O 3.46Å; V45-S66 WeakPolarHBondContact CA-O 3.49Å; V45-S66 WeakPolarHBondContact CB-O 3.48Å; V45-S66 PolarHBondContact O-N 3.16Å; V45-Y107 HydrophobicContact CB-CE1 4.45Å; V45-Y107 HydrophobicContact CG1-CD1 4.45Å; V45-Y107 HydrophobicContact CG1-CE1 3.67Å; V45-Y107 HydrophobicContact CG1-CE2 4.18Å; V45-Y107 WeakPolarHBondContact CG1-OH 3.42Å; V45-Y107 HydrophobicContact CG2-CD1 3.92Å; V45-Y107 HydrophobicContact CG2-CE1 3.94Å; V45-Y107 HydrophobicContact CG2-CG 4.41Å; V45-I118 HydrophobicContact CB-CG2 4.13Å; V45-I118 HydrophobicContact CG1-CG2 4.47Å
46	T	98.9	Very high	98.6	Very high	6 Å²	6	58 Å²	58	4%	0.037	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.6	-179.1	58	0	0	0	0	113.3	Q39 C42 L63 E64 F65	Q39-T46 WeakPolarHBondContact CA-OG1 3.42Å; Q39-T46 WeakPolarHBondContact CG-OG1 3.31Å; C42-T46 HydrophobicContact CB-CG2 4Å; C42-T46 WeakPolarHBondContact O-CB 3.47Å; C42-T46 PolarHBondContact O-N 2.84Å; C42-T46 PolarHBondContact O-OG1 3.09Å; T46-L63 HydrophobicContact CG2-CD1 4.36Å; T46-E64 CarbonylContact C-O 3.37Å; T46-E64 WeakPolarHBondContact CA-O 3.35Å; T46-F65 HydrophobicContact CG2-CD1 3.53Å; T46-F65 HydrophobicContact CG2-CE1 3.37Å; T46-F65 HydrophobicContact CG2-CE2 4.42Å; T46-F65 HydrophobicContact CG2-CG 4.13Å; T46-F65 HydrophobicContact CG2-CZ 3.85Å
47	R	98.8	Very high	98.6	Very high	86 Å²	86	55.9 Å²	55.9	33%	0.325	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	123.9	170.7	-177	-178.2	90.2	120.7	7.7	111.6	E64 P69 Y207	R47-E64 HydrophobicContact CB-CB 4.16Å; R47-E64 IonicContact CZ-OE2 3.16Å; R47-E64 PolarHBondContact N-O 3.07Å; R47-E64 IonicContact NE-OE2 3.61Å; R47-E64 PolarHBondContact NE-OE2 3.21Å; R47-E64 IonicContact NH2-OE2 3.84Å; R47-E64 PolarHBondContact NH2-OE2 2.83Å; R47-E64 VanDerWaalsContact O-CB 3.22Å; R47-E64 WeakPolarHBondContact O-CB 3.18Å; R47-E64 PolarHBondContact O-N 2.92Å; R47-P69 HydrophobicContact CB-CB 3.92Å; R47-Y207 PolarHBondContact NH2-OH 3.15Å
48	I	98.6	Very high	98.6	Very high	22 Å²	22	55.4 Å²	55.4	11%	0.113	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.5	170.3	-65.5	167.4	0	0	0	109.5	L35 F36 Q39 Y61 V62 L63	L35-I48 VanDerWaalsContact C-CD1 3.42Å; L35-I48 HydrophobicContact CB-CD1 3.85Å; L35-I48 WeakPolarHBondContact O-CD1 3.17Å; F36-I48 HydrophobicContact CB-CD1 4.29Å; F36-I48 HydrophobicContact CD1-CD1 3.91Å; F36-I48 HydrophobicContact CD2-CD1 3.99Å; F36-I48 HydrophobicContact CE1-CD1 4.21Å; F36-I48 HydrophobicContact CE2-CD1 4.27Å; F36-I48 HydrophobicContact CE2-CG2 4.34Å; F36-I48 HydrophobicContact CG-CD1 3.8Å; F36-I48 HydrophobicContact CZ-CD1 4.37Å; F36-I48 HydrophobicContact CZ-CG2 4.23Å; Q39-I48 HydrophobicContact CB-CD1 3.84Å; Q39-I48 HydrophobicContact CB-CG1 4.23Å; I48-Y61 HydrophobicContact CG2-CD1 3.48Å; I48-Y61 VanDerWaalsContact CG2-CD1 3.48Å; I48-Y61 HydrophobicContact CG2-CE1 3.86Å; I48-Y61 HydrophobicContact CG2-CG 4.42Å; I48-V62 WeakPolarHBondContact CA-O 3.19Å; I48-L63 HydrophobicContact CD1-CD1 4.24Å; I48-L63 HydrophobicContact CG1-CB 4.48Å; I48-L63 HydrophobicContact CG1-CD1 3.44Å; I48-L63 VanDerWaalsContact CG1-CD1 3.44Å
49	Y	98.9	Very high	98.6	Very high	34 Å²	34	57.3 Å²	57.3	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	167.8	167.3	64.3	-82.8	0	0	0	110.2	I51 Y61 V62 E64 H124 W203	Y49-I51 HydrophobicContact CD2-CG2 4.08Å; Y49-I51 HydrophobicContact CE2-CG2 3.54Å; Y49-Y61 WeakPolarHBondContact O-CA 3.43Å; Y49-V62 HydrophobicContact CD1-CB 4.39Å; Y49-V62 HydrophobicContact CD2-CB 4.45Å; Y49-V62 HydrophobicContact CE1-CB 3.84Å; Y49-V62 HydrophobicContact CE1-CG1 3.82Å; Y49-V62 HydrophobicContact CE2-CB 3.92Å; Y49-V62 HydrophobicContact CE2-CG1 4.42Å; Y49-V62 HydrophobicContact CE2-CG2 4.15Å; Y49-V62 PolarHBondContact N-O 3.33Å; Y49-V62 PolarHBondContact O-N 2.86Å; Y49-V62 VanDerWaalsContact OH-CG1 3.3Å; Y49-V62 WeakPolarHBondContact OH-CG1 3.42Å; Y49-E64 HydrophobicContact CE1-CB 4.19Å; Y49-H124 AromaticContact CE1-ND1 3.78Å; Y49-H124 AromaticContact CZ-ND1 3.7Å; Y49-H124 PolarHBondContact OH-ND1 3.39Å; Y49-W203 AromaticContact CZ-NE1 4Å; Y49-W203 PolarHBondContact OH-NE1 2.95Å
50	S	98.8	Very high	98.6	Very high	41 Å²	41	55 Å²	55	29%	0.287	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.2	174.7	178.5	0	0	0	0	109.7	G52 H59 L60	S50-G52 PolarHBondContact OG-N 3.43Å; S50-G52 PolarHBondContact OG-O 3.25Å; S50-H59 WeakPolarHBondContact CB-ND1 3.38Å; S50-H59 WeakPolarHBondContact OG-CB 3.5Å; S50-H59 PolarHBondContact OG-ND1 3.15Å; S50-L60 VanDerWaalsContact CA-O 3.27Å; S50-L60 WeakPolarHBondContact CA-O 3.26Å; S50-L60 PolarHBondContact OG-O 3.27Å
51	I	98.8	Very high	98.7	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.138	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-7.5	178.2	60.9	155.3	0	0	0	113.2	Y49 L60 V62 M126 A199 V200 W203	Y49-I51 HydrophobicContact CD2-CG2 4.08Å; Y49-I51 HydrophobicContact CE2-CG2 3.54Å; I51-L60 HydrophobicContact CD1-CB 4.28Å; I51-L60 HydrophobicContact CD1-CD1 4.4Å; I51-L60 HydrophobicContact CG1-CB 3.65Å; I51-L60 HydrophobicContact CG1-CD1 4.36Å; I51-L60 PolarHBondContact N-O 3.41Å; I51-V62 HydrophobicContact CG2-CG2 3.84Å; I51-M126 HydrophobicContact CD1-CE 3.19Å; I51-M126 HydrophobicContact CD1-SD 4.47Å; I51-M126 HydrophobicContact CG1-CE 3.86Å; I51-A199 HydrophobicContact CD1-CB 3.91Å; I51-A199 HydrophobicContact CG1-CB 4.15Å; I51-A199 WeakPolarHBondContact O-CB 3.28Å; I51-V200 HydrophobicContact CD1-CG2 3.79Å; I51-W203 HydrophobicContact CB-CB 4.16Å; I51-W203 HydrophobicContact CB-CG 4.38Å; I51-W203 HydrophobicContact CD1-CB 4.14Å; I51-W203 HydrophobicContact CD1-CD2 4.48Å; I51-W203 HydrophobicContact CD1-CE3 4.24Å; I51-W203 HydrophobicContact CD1-CG 4.47Å; I51-W203 HydrophobicContact CG2-CB 3.85Å; I51-W203 HydrophobicContact CG2-CD2 4.02Å; I51-W203 HydrophobicContact CG2-CG 3.56Å
52	G	98.7	Very high	98.7	Very high	25 Å²	25	47.1 Å²	47.1	26%	0.258	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-170.3	-173.2	0	0	0	0	0	111.6	S50 L60	S50-G52 PolarHBondContact OG-N 3.43Å; S50-G52 PolarHBondContact OG-O 3.25Å; G52-L60 PolarHBondContact O-N 2.92Å
53	R	98.9	Very high	98.7	Very high	132 Å²	132	46.9 Å²	46.9	50%	0.498	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.5	176	-65.4	179.7	-178.4	-80.8	-2.9	110	G57 R58 H59	R53-G57 PolarHBondContact NH1-O 3.11Å; R53-R58 CarbonylContact C-O 3.59Å; R53-R58 WeakPolarHBondContact CA-O 3.03Å; R53-H59 PolarHBondContact NH1-CD2 3.44Å; R53-H59 VanDerWaalsContact NH1-CD2 3.35Å; R53-H59 PolarHBondContact NH1-NE2 3.26Å; R53-H59 PolarHBondContact NH2-CE1 3.48Å; R53-H59 PolarHBondContact NH2-NE2 3.09Å
54	S	98.9	Very high	98.8	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.042	21%	0.208	C	C	.	.			trans	-67.3	174.3	167.3	68.5	0	0	0	0	111.8	E56 G57 R58 D132 E196	S54-E56 VanDerWaalsContact C-N 3.3Å; S54-E56 PolarHBondContact O-N 2.8Å; S54-G57 PolarHBondContact O-N 3.25Å; S54-G57 PolarHBondContact OG-N 2.87Å; S54-R58 PolarHBondContact N-O 3.21Å; S54-R58 WeakPolarHBondContact OG-CB 3.32Å; S54-R58 PolarHBondContact OG-N 2.93Å; S54-R58 PolarHBondContact OG-O 3.4Å; S54-D132 VanDerWaalsContact CB-CG 3.44Å; S54-D132 VanDerWaalsContact CB-OD1 3.28Å; S54-D132 WeakPolarHBondContact CB-OD1 3.46Å; S54-D132 WeakPolarHBondContact CB-OD2 3.3Å; S54-D132 PolarHBondContact OG-OD1 3.39Å; S54-D132 PolarHBondContact OG-OD2 3.29Å; S54-E196 VanDerWaalsContact CA-OE1 3.23Å; S54-E196 WeakPolarHBondContact CA-OE1 3.49Å; S54-E196 VanDerWaalsContact CB-OE1 3.28Å; S54-E196 WeakPolarHBondContact CB-OE1 3.45Å
55	V	98.8	Very high	98.8	Very high	53 Å²	53	34.1 Å²	34.1	32%	0.321	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-43.5	175.5	176.5	0	0	0	0	112.3	G57 D132 A154 N155 P195 E196	V55-G57 PolarHBondContact O-N 2.85Å; V55-D132 PolarHBondContact N-OD2 3.14Å; V55-A154 HydrophobicContact CB-CB 3.78Å; V55-A154 HydrophobicContact CG1-CB 3.83Å; V55-A154 HydrophobicContact CG2-CB 4.41Å; V55-N155 WeakPolarHBondContact CG2-ND2 3.47Å; V55-P195 HydrophobicContact CB-CG 4.37Å; V55-P195 HydrophobicContact CG2-CG 3.48Å; V55-P195 VanDerWaalsContact CG2-CG 3.48Å; V55-E196 PolarHBondContact N-OE1 2.85Å
56	E	98.8	Very high	98.8	Very high	113 Å²	113	33.9 Å²	33.9	53%	0.528	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	11.1	178.7	-60.4	-171.8	159.5	0	0	113.3	S54 R58 D132 A154	S54-E56 VanDerWaalsContact C-N 3.3Å; S54-E56 PolarHBondContact O-N 2.8Å; E56-R58 IonicContact OE2-CZ 2.84Å; E56-R58 IonicContact OE2-NH1 3.93Å; E56-R58 PolarHBondContact OE2-NH1 2.92Å; E56-R58 IonicContact OE2-NH2 2.99Å; E56-R58 PolarHBondContact OE2-NH2 3.25Å; E56-D132 WeakPolarHBondContact CB-OD2 3.32Å; E56-D132 HydrophobicContact CG-CB 4.43Å; E56-D132 PolarHBondContact N-OD2 2.86Å; E56-A154 HydrophobicContact CG-CB 3.84Å
57	G	98.7	Very high	98.8	Very high	31 Å²	31	35.7 Å²	35.7	32%	0.32	18%	0.179	S	C	.	.	S	Bend	trans	86.3	6.7	170.9	0	0	0	0	0	115.7	R53 S54 V55	R53-G57 PolarHBondContact NH1-O 3.11Å; S54-G57 PolarHBondContact O-N 3.25Å; S54-G57 PolarHBondContact OG-N 2.87Å; V55-G57 PolarHBondContact O-N 2.85Å
58	R	98.9	Very high	98.8	Very high	47 Å²	47	37.9 Å²	37.9	18%	0.177	19%	0.188	C	C	.	.			trans	-71.6	133.2	175.3	-64.5	-176.2	-177.7	81.3	3.9	110	Y28 R53 S54 E56 P131 D132	Y28-R58 HydrophobicContact CD1-CG 4.14Å; Y28-R58 HydrophobicContact CD2-CB 4.14Å; Y28-R58 HydrophobicContact CD2-CG 4.25Å; Y28-R58 HydrophobicContact CE1-CB 4.12Å; Y28-R58 HydrophobicContact CE1-CG 4.1Å; Y28-R58 HydrophobicContact CE2-CB 3.68Å; Y28-R58 HydrophobicContact CE2-CG 4.22Å; Y28-R58 HydrophobicContact CG-CG 4.21Å; R53-R58 CarbonylContact C-O 3.59Å; R53-R58 WeakPolarHBondContact CA-O 3.03Å; S54-R58 PolarHBondContact N-O 3.21Å; S54-R58 WeakPolarHBondContact OG-CB 3.32Å; S54-R58 PolarHBondContact OG-N 2.93Å; S54-R58 PolarHBondContact OG-O 3.4Å; E56-R58 IonicContact OE2-CZ 2.84Å; E56-R58 IonicContact OE2-NH1 3.93Å; E56-R58 PolarHBondContact OE2-NH1 2.92Å; E56-R58 IonicContact OE2-NH2 2.99Å; E56-R58 PolarHBondContact OE2-NH2 3.25Å; R58-P131 HydrophobicContact CB-CB 4.24Å; R58-P131 HydrophobicContact CB-CG 3.9Å; R58-D132 IonicContact CZ-OD1 3.06Å; R58-D132 IonicContact NH1-OD1 2.61Å; R58-D132 PolarHBondContact NH1-OD1 2.94Å
59	H	98.9	Very high	98.8	Very high	51 Å²	51	38.6 Å²	38.6	24%	0.236	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	136.5	173.1	-74.2	-79.5	0	0	0	111.7	Y28 S50 R53 Y61	Y28-H59 WeakPolarHBondContact CE2-O 3.46Å; Y28-H59 WeakPolarHBondContact OH-CA 3.19Å; Y28-H59 VanDerWaalsContact OH-CB 3.28Å; Y28-H59 WeakPolarHBondContact OH-CB 3.41Å; Y28-H59 PolarHBondContact OH-N 2.86Å; Y28-H59 PolarHBondContact OH-O 2.91Å; S50-H59 WeakPolarHBondContact CB-ND1 3.38Å; S50-H59 WeakPolarHBondContact OG-CB 3.5Å; S50-H59 PolarHBondContact OG-ND1 3.15Å; R53-H59 PolarHBondContact NH1-CD2 3.44Å; R53-H59 VanDerWaalsContact NH1-CD2 3.35Å; R53-H59 PolarHBondContact NH1-NE2 3.26Å; R53-H59 PolarHBondContact NH2-CE1 3.48Å; R53-H59 PolarHBondContact NH2-NE2 3.09Å; H59-Y61 HydrophobicContact CB-CD1 4.47Å; H59-Y61 HydrophobicContact CB-CD2 3.77Å; H59-Y61 HydrophobicContact CB-CE1 4.21Å; H59-Y61 HydrophobicContact CB-CE2 3.48Å; H59-Y61 VanDerWaalsContact CB-CE2 3.48Å; H59-Y61 HydrophobicContact CB-CG 4.28Å; H59-Y61 PolarHBondContact O-N 2.8Å
60	L	98.9	Very high	98.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	92.6	166.6	-59.6	173.8	0	0	0	107.6	S50 I51 G52 M129 P131 E196 A199	S50-L60 VanDerWaalsContact CA-O 3.27Å; S50-L60 WeakPolarHBondContact CA-O 3.26Å; S50-L60 PolarHBondContact OG-O 3.27Å; I51-L60 HydrophobicContact CD1-CB 4.28Å; I51-L60 HydrophobicContact CD1-CD1 4.4Å; I51-L60 HydrophobicContact CG1-CB 3.65Å; I51-L60 HydrophobicContact CG1-CD1 4.36Å; I51-L60 PolarHBondContact N-O 3.41Å; G52-L60 PolarHBondContact O-N 2.92Å; L60-M129 WeakPolarHBondContact CD2-O 3.36Å; L60-P131 VanDerWaalsContact CD2-CD 3.49Å; L60-P131 HydrophobicContact CD2-CG 3.86Å; L60-E196 HydrophobicContact CD1-CB 4.25Å; L60-E196 HydrophobicContact CD1-CG 4.29Å; L60-E196 HydrophobicContact CD2-CG 4.36Å; L60-A199 HydrophobicContact CD1-CB 3.75Å
61	Y	98.9	Very high	98.7	Very high	38 Å²	38	41.6 Å²	41.6	15%	0.149	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	143.5	-175.6	-79.3	-67.6	0	0	0	112.2	Y28 V32 F36 I48 Y49 H59	Y28-Y61 WeakPolarHBondContact OH-CE2 3.25Å; V32-Y61 HydrophobicContact CB-CE2 4.37Å; V32-Y61 HydrophobicContact CG1-CE2 3.97Å; V32-Y61 HydrophobicContact CG2-CD2 3.67Å; V32-Y61 HydrophobicContact CG2-CE2 3.46Å; V32-Y61 VanDerWaalsContact CG2-CE2 3.46Å; F36-Y61 HydrophobicContact CE2-CE1 4.29Å; I48-Y61 HydrophobicContact CG2-CD1 3.48Å; I48-Y61 VanDerWaalsContact CG2-CD1 3.48Å; I48-Y61 HydrophobicContact CG2-CE1 3.86Å; I48-Y61 HydrophobicContact CG2-CG 4.42Å; Y49-Y61 WeakPolarHBondContact O-CA 3.43Å; H59-Y61 HydrophobicContact CB-CD1 4.47Å; H59-Y61 HydrophobicContact CB-CD2 3.77Å; H59-Y61 HydrophobicContact CB-CE1 4.21Å; H59-Y61 HydrophobicContact CB-CE2 3.48Å; H59-Y61 VanDerWaalsContact CB-CE2 3.48Å; H59-Y61 HydrophobicContact CB-CG 4.28Å; H59-Y61 PolarHBondContact O-N 2.8Å
62	V	98.9	Very high	98.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.1	170.9	-175.3	0	0	0	0	108	I48 Y49 I51 H124 I125 M126 W203	I48-V62 WeakPolarHBondContact CA-O 3.19Å; Y49-V62 HydrophobicContact CD1-CB 4.39Å; Y49-V62 HydrophobicContact CD2-CB 4.45Å; Y49-V62 HydrophobicContact CE1-CB 3.84Å; Y49-V62 HydrophobicContact CE1-CG1 3.82Å; Y49-V62 HydrophobicContact CE2-CB 3.92Å; Y49-V62 HydrophobicContact CE2-CG1 4.42Å; Y49-V62 HydrophobicContact CE2-CG2 4.15Å; Y49-V62 PolarHBondContact N-O 3.33Å; Y49-V62 PolarHBondContact O-N 2.86Å; Y49-V62 VanDerWaalsContact OH-CG1 3.3Å; Y49-V62 WeakPolarHBondContact OH-CG1 3.42Å; I51-V62 HydrophobicContact CG2-CG2 3.84Å; V62-H124 HydrophobicContact CG1-CB 3.88Å; V62-I125 CarbonylContact C-O 3.59Å; V62-I125 VanDerWaalsContact CA-O 3.32Å; V62-I125 WeakPolarHBondContact CA-O 3.28Å; V62-M126 HydrophobicContact CG2-CB 4.1Å; V62-M126 HydrophobicContact CG2-CE 3.64Å; V62-M126 HydrophobicContact CG2-CG 4.35Å; V62-W203 HydrophobicContact CG1-CZ2 4.11Å; V62-W203 HydrophobicContact CG2-CZ2 4.32Å
63	L	98.9	Very high	98.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.5	169.9	179.3	66.9	0	0	0	108.7	L35 V38 Q39 T46 I48 F65 I125	L35-L63 HydrophobicContact CD2-CB 4.03Å; L35-L63 HydrophobicContact CD2-CD2 4.04Å; V38-L63 HydrophobicContact CB-CD2 4.16Å; V38-L63 HydrophobicContact CG1-CD2 3.79Å; Q39-L63 HydrophobicContact CB-CD1 4.46Å; T46-L63 HydrophobicContact CG2-CD1 4.36Å; I48-L63 HydrophobicContact CD1-CD1 4.24Å; I48-L63 HydrophobicContact CG1-CB 4.48Å; I48-L63 HydrophobicContact CG1-CD1 3.44Å; I48-L63 VanDerWaalsContact CG1-CD1 3.44Å; L63-F65 HydrophobicContact CD2-CD2 4.48Å; L63-F65 HydrophobicContact CD2-CE2 3.48Å; L63-F65 VanDerWaalsContact CD2-CE2 3.48Å; L63-F65 HydrophobicContact CD2-CZ 3.82Å; L63-F65 HydrophobicContact CG-CD2 4.27Å; L63-F65 HydrophobicContact CG-CE2 3.72Å; L63-F65 HydrophobicContact CG-CZ 4.35Å; L63-I125 PolarHBondContact N-O 3.25Å; L63-I125 PolarHBondContact O-N 3.26Å
64	E	98.9	Very high	98.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.6	175.9	-170.9	-179.1	149.4	0	0	109.8	T46 R47 Y49 P69 G70 R122 I123 H124	T46-E64 CarbonylContact C-O 3.37Å; T46-E64 WeakPolarHBondContact CA-O 3.35Å; R47-E64 HydrophobicContact CB-CB 4.16Å; R47-E64 IonicContact CZ-OE2 3.16Å; R47-E64 PolarHBondContact N-O 3.07Å; R47-E64 IonicContact NE-OE2 3.61Å; R47-E64 PolarHBondContact NE-OE2 3.21Å; R47-E64 IonicContact NH2-OE2 3.84Å; R47-E64 PolarHBondContact NH2-OE2 2.83Å; R47-E64 VanDerWaalsContact O-CB 3.22Å; R47-E64 WeakPolarHBondContact O-CB 3.18Å; R47-E64 PolarHBondContact O-N 2.92Å; Y49-E64 HydrophobicContact CE1-CB 4.19Å; E64-P69 WeakPolarHBondContact OE1-CA 3.28Å; E64-G70 PolarHBondContact OE1-N 3.26Å; E64-R122 HydrophobicContact CG-CG 4.38Å; E64-R122 IonicContact OE1-CZ 2.69Å; E64-R122 IonicContact OE1-NE 3.28Å; E64-R122 PolarHBondContact OE1-NE 3.22Å; E64-R122 IonicContact OE1-NH2 3.48Å; E64-R122 PolarHBondContact OE1-NH2 2.9Å; E64-R122 IonicContact OE2-NH2 3.72Å; E64-I123 CarbonylContact C-O 3.36Å; E64-I123 VanDerWaalsContact CA-O 3.29Å; E64-I123 WeakPolarHBondContact CA-O 3.46Å; E64-H124 IonicContact OE2-CE1 3.62Å
65	F	98.9	Very high	98.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.7	164.9	-70.6	-100.9	0	0	0	110	V38 V45 T46 L63 S100 L103 C104 I118 I123 I125	V38-F65 HydrophobicContact CG1-CE1 4.4Å; V38-F65 HydrophobicContact CG1-CZ 3.79Å; V45-F65 VanDerWaalsContact O-CA 3.27Å; V45-F65 WeakPolarHBondContact O-CA 3.49Å; T46-F65 HydrophobicContact CG2-CD1 3.53Å; T46-F65 HydrophobicContact CG2-CE1 3.37Å; T46-F65 HydrophobicContact CG2-CE2 4.42Å; T46-F65 HydrophobicContact CG2-CG 4.13Å; T46-F65 HydrophobicContact CG2-CZ 3.85Å; L63-F65 HydrophobicContact CD2-CD2 4.48Å; L63-F65 HydrophobicContact CD2-CE2 3.48Å; L63-F65 VanDerWaalsContact CD2-CE2 3.48Å; L63-F65 HydrophobicContact CD2-CZ 3.82Å; L63-F65 HydrophobicContact CG-CD2 4.27Å; L63-F65 HydrophobicContact CG-CE2 3.72Å; L63-F65 HydrophobicContact CG-CZ 4.35Å; F65-S100 WeakPolarHBondContact CZ-O 3.35Å; F65-L103 HydrophobicContact CD1-CB 4.26Å; F65-L103 HydrophobicContact CD2-CD1 4.24Å; F65-L103 HydrophobicContact CE1-CB 3.86Å; F65-L103 HydrophobicContact CE2-CD1 4.28Å; F65-L103 HydrophobicContact CG-CD1 4.46Å; F65-L103 HydrophobicContact CZ-CB 4.06Å; F65-C104 HydrophobicContact CE1-CB 4.31Å; F65-I118 HydrophobicContact CB-CG1 4.38Å; F65-I118 HydrophobicContact CD1-CD1 4.04Å; F65-I123 HydrophobicContact CB-CB 4.25Å; F65-I123 PolarHBondContact N-O 3.49Å; F65-I123 PolarHBondContact O-N 3.35Å; F65-I125 HydrophobicContact CD2-CD1 4.29Å; F65-I125 HydrophobicContact CE2-CD1 4.15Å
66	S	98.8	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.			trans	-169.9	158.7	171.9	162.8	0	0	0	0	106.7	V45 Y68 P69 E76 I118	V45-S66 CarbonylContact C-O 3.46Å; V45-S66 WeakPolarHBondContact CA-O 3.49Å; V45-S66 WeakPolarHBondContact CB-O 3.48Å; V45-S66 PolarHBondContact O-N 3.16Å; S66-Y68 PolarHBondContact O-N 3.15Å; S66-Y68 PolarHBondContact OG-N 3.45Å; S66-Y68 VanDerWaalsContact OG-N 3.09Å; S66-P69 WeakPolarHBondContact O-CD 3.22Å; S66-E76 PolarHBondContact OG-OE1 3.02Å; S66-I118 WeakPolarHBondContact CA-O 3.3Å
67	D	98	Very high	98.5	Very high	44 Å²	44	35.7 Å²	35.7	24%	0.235	19%	0.189	C	C	.	.	S	Bend	trans	-72.4	-14.6	169.5	61.3	-38.7	0	0	0	114.3	I118	D67-I118 PolarHBondContact N-O 2.88Å
68	Y	98.3	Very high	98.5	Very high	131 Å²	131	34.3 Å²	34.3	51%	0.514	18%	0.175	S	C	.	.	S	Bend	trans	-125	64.8	171.2	-68.3	-85.2	0	0	0	112.2	S66 G70 I71 E73	S66-Y68 PolarHBondContact O-N 3.15Å; S66-Y68 PolarHBondContact OG-N 3.45Å; S66-Y68 VanDerWaalsContact OG-N 3.09Å; Y68-G70 PolarHBondContact O-N 3.4Å; Y68-I71 PolarHBondContact O-N 3.32Å; Y68-E73 WeakPolarHBondContact CD2-OE2 3.46Å
69	P	98.4	Very high	98.5	Very high	38 Å²	38	32.1 Å²	32.1	25%	0.247	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	135.3	-172.1	29.2	-35.9	0	0	0	111.8	Y44 R47 E64 S66	Y44-P69 WeakPolarHBondContact O-CD 3.34Å; R47-P69 HydrophobicContact CB-CB 3.92Å; E64-P69 WeakPolarHBondContact OE1-CA 3.28Å; S66-P69 WeakPolarHBondContact O-CD 3.22Å
70	G	98.1	Very high	98.5	Very high	32 Å²	32	29.7 Å²	29.7	33%	0.33	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	97	-10.1	-177.4	0	0	0	0	0	114.5	E64 Y68 R122	E64-G70 PolarHBondContact OE1-N 3.26Å; Y68-G70 PolarHBondContact O-N 3.4Å; G70-R122 VanDerWaalsContact CA-NH2 3.26Å; G70-R122 PolarHBondContact O-NH2 3.47Å
71	I	97.9	Very high	98.6	Very high	106 Å²	106	29.7 Å²	29.7	54%	0.544	16%	0.155	S	C	.	.			trans	-124	138.9	-177.1	-57.2	176.2	0	0	0	109	Y68 R122	Y68-I71 PolarHBondContact O-N 3.32Å; I71-R122 VanDerWaalsContact C-CZ 3.48Å; I71-R122 VanDerWaalsContact N-NH2 3.18Å; I71-R122 WeakPolarHBondContact O-CD 3.45Å; I71-R122 PolarHBondContact O-NE 2.81Å; I71-R122 PolarHBondContact O-NH1 3.28Å
72	H	97.9	Very high	98.6	Very high	47 Å²	47	28 Å²	28	22%	0.218	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-89	131.2	168.8	169.7	52.6	0	0	0	108.4	E76 E78 M373 D375	H72-E76 PolarHBondContact CE1-O 3.44Å; H72-E76 VanDerWaalsContact CE1-O 3.26Å; H72-E78 IonicContact CG-OE1 3.72Å; H72-E78 IonicContact ND1-OE1 3.47Å; H72-E78 PolarHBondContact ND1-OE1 2.98Å; H72-M373 HydrophobicContact CB-CE 4.39Å; H72-M373 WeakPolarHBondContact CD2-CE 3.48Å; H72-M373 WeakPolarHBondContact O-CE 3.2Å; H72-D375 IonicContact CE1-OD2 3.4Å; H72-D375 PolarHBondContact CE1-OD2 2.89Å; H72-D375 IonicContact NE2-OD1 3.45Å; H72-D375 PolarHBondContact NE2-OD1 3.37Å; H72-D375 IonicContact NE2-OD2 3.15Å; H72-D375 PolarHBondContact NE2-OD2 3.49Å; H72-D375 VanDerWaalsContact NE2-OD2 3.15Å
73	E	98.3	Very high	98.6	Very high	64 Å²	64	28 Å²	28	30%	0.299	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-102.2	136.6	174.1	-66.1	-179	89	0	0	110.9	Y68 L75 E76	Y68-E73 WeakPolarHBondContact CD2-OE2 3.46Å; E73-L75 PolarHBondContact O-N 3.49Å; E73-E76 HydrophobicContact CB-CB 4Å; E73-E76 VanDerWaalsContact O-CB 3.24Å; E73-E76 WeakPolarHBondContact O-CB 3.22Å; E73-E76 PolarHBondContact O-N 2.91Å
74	P	97.6	Very high	98.5	Very high	69 Å²	69	28 Å²	28	45%	0.448	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	134.7	-179.4	-21.4	31.1	0	0	0	111.5	E76 M345 M373 D375	P74-E76 PolarHBondContact O-N 3.24Å; P74-M345 HydrophobicContact CB-CE 4.3Å; P74-M345 HydrophobicContact CB-SD 4.13Å; P74-M373 HydrophobicContact CB-CE 4.38Å; P74-M373 HydrophobicContact CG-CE 3.62Å; P74-M373 HydrophobicContact CG-SD 3.73Å; P74-D375 HydrophobicContact CB-CB 4.46Å
75	L	98.4	Very high	98.5	Very high	40 Å²	40	28.1 Å²	28.1	21%	0.209	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	6	-177.2	-45.5	173.1	0	0	0	114.9	E73 K343 G344 M345 D375 L410	E73-L75 PolarHBondContact O-N 3.49Å; L75-K343 HydrophobicContact CB-CD 4.34Å; L75-K343 PolarHBondContact O-NZ 3.32Å; L75-G344 VanDerWaalsContact CD2-C 3.44Å; L75-G344 VanDerWaalsContact CD2-CA 3.45Å; L75-G344 WeakPolarHBondContact CD2-O 3.38Å; L75-M345 HydrophobicContact CD2-CG 4.36Å; L75-M345 HydrophobicContact CD2-SD 3.76Å; L75-M345 HydrophobicContact CG-SD 3.99Å; L75-D375 HydrophobicContact CD2-CB 4.16Å; L75-D375 PolarHBondContact N-OD2 3.12Å; L75-L410 HydrophobicContact CD1-CD2 4.29Å
76	E	98.7	Very high	98.5	Very high	10 Å²	10	28.3 Å²	28.3	5%	0.047	15%	0.15	C	C	.	.			trans	-91	111.5	165.6	-170.1	-162.6	-151.9	0	0	108.8	S66 H72 E73 P74 R122 F377	S66-E76 PolarHBondContact OG-OE1 3.02Å; H72-E76 PolarHBondContact CE1-O 3.44Å; H72-E76 VanDerWaalsContact CE1-O 3.26Å; E73-E76 HydrophobicContact CB-CB 4Å; E73-E76 VanDerWaalsContact O-CB 3.24Å; E73-E76 WeakPolarHBondContact O-CB 3.22Å; E73-E76 PolarHBondContact O-N 2.91Å; P74-E76 PolarHBondContact O-N 3.24Å; E76-R122 HydrophobicContact CG-CB 4.48Å; E76-F377 WeakPolarHBondContact O-CZ 3.41Å
77	P	98.8	Very high	98.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.15	C	C	.	.			trans	-75.6	144.3	-176.8	31.7	-35.7	0	0	0	112.4	D120 T121 R122 V210 I338 H339 F377	P77-D120 WeakPolarHBondContact CD-O 3.27Å; P77-T121 HydrophobicContact CG-CG2 4.46Å; P77-R122 PolarHBondContact O-N 2.8Å; P77-R122 VanDerWaalsContact O-N 3.11Å; P77-V210 HydrophobicContact CB-CG2 3.98Å; P77-I338 HydrophobicContact CB-CD1 3.65Å; P77-I338 HydrophobicContact CB-CG1 3.78Å; P77-I338 HydrophobicContact CG-CD1 4.08Å; P77-I338 HydrophobicContact CG-CG1 4.07Å; P77-I338 HydrophobicContact CG-CG2 4.09Å; P77-H339 VanDerWaalsContact CG-CE1 3.47Å; P77-H339 WeakPolarHBondContact CG-CE1 3.18Å; P77-F377 HydrophobicContact CB-CD1 3.73Å; P77-F377 HydrophobicContact CB-CE1 3.6Å; P77-F377 HydrophobicContact CB-CG 4.31Å; P77-F377 HydrophobicContact CB-CZ 4.09Å; P77-F377 HydrophobicContact CG-CE1 4.21Å
78	E	98.9	Very high	98.5	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.014	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.6	177.3	-58.9	-79.6	-168.3	0	0	110	H72 R122 H124 F209 V210 I338	H72-E78 IonicContact CG-OE1 3.72Å; H72-E78 IonicContact ND1-OE1 3.47Å; H72-E78 PolarHBondContact ND1-OE1 2.98Å; E78-R122 WeakPolarHBondContact OE1-CD 3.45Å; E78-R122 IonicContact OE1-CZ 3.31Å; E78-R122 IonicContact OE1-NE 3.95Å; E78-R122 IonicContact OE1-NH1 2.79Å; E78-R122 PolarHBondContact OE1-NH1 3.12Å; E78-R122 VanDerWaalsContact OE2-CB 3.26Å; E78-R122 WeakPolarHBondContact OE2-CB 3.17Å; E78-R122 VanDerWaalsContact OE2-CD 3.27Å; E78-R122 WeakPolarHBondContact OE2-CD 3.24Å; E78-R122 WeakPolarHBondContact OE2-CG 3.26Å; E78-R122 IonicContact OE2-NE 2.83Å; E78-R122 IonicContact OE2-NH1 3.73Å; E78-H124 IonicContact OE2-CD2 3.2Å; E78-H124 IonicContact OE2-NE2 3.57Å; E78-H124 PolarHBondContact OE2-NE2 3.21Å; E78-F209 HydrophobicContact CB-CD1 3.89Å; E78-F209 HydrophobicContact CB-CE1 4.3Å; E78-F209 WeakPolarHBondContact O-CA 3.35Å; E78-V210 PolarHBondContact O-N 3.25Å; E78-I338 WeakPolarHBondContact O-CD1 3.42Å
79	F	98.9	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	148.6	176.9	179.2	-86.9	0	0	0	111	Y81 T121 R122 I123 H124 L211 F334 I335 I338	F79-Y81 HydrophobicContact CE1-CD1 4.15Å; F79-Y81 AromaticContact CE1-CD2 3.46Å; F79-Y81 HydrophobicContact CE1-CD2 3.46Å; F79-Y81 VanDerWaalsContact CE1-CD2 3.46Å; F79-Y81 HydrophobicContact CE1-CE1 4.36Å; F79-Y81 AromaticContact CE1-CE2 3.71Å; F79-Y81 HydrophobicContact CE1-CE2 3.71Å; F79-Y81 AromaticContact CE1-CG 3.69Å; F79-Y81 HydrophobicContact CE1-CG 3.69Å; F79-Y81 AromaticContact CZ-CD1 3.98Å; F79-Y81 HydrophobicContact CZ-CD1 3.98Å; F79-Y81 AromaticContact CZ-CD2 3.87Å; F79-Y81 HydrophobicContact CZ-CD2 3.87Å; F79-Y81 AromaticContact CZ-CE1 3.82Å; F79-Y81 HydrophobicContact CZ-CE1 3.82Å; F79-Y81 AromaticContact CZ-CE2 3.69Å; F79-Y81 HydrophobicContact CZ-CE2 3.69Å; F79-Y81 AromaticContact CZ-CG 3.99Å; F79-Y81 HydrophobicContact CZ-CG 3.99Å; F79-Y81 AromaticContact CZ-CZ 3.67Å; F79-T121 HydrophobicContact CB-CG2 3.94Å; F79-R122 PolarHBondContact N-O 2.92Å; F79-I123 HydrophobicContact CD1-CG2 3.92Å; F79-H124 PolarHBondContact O-N 3Å; F79-L211 HydrophobicContact CD2-CB 4.04Å; F79-L211 HydrophobicContact CD2-CD2 4.23Å; F79-L211 HydrophobicContact CD2-CG 4.18Å; F79-L211 WeakPolarHBondContact CD2-O 3.43Å; F79-L211 HydrophobicContact CE2-CB 4.34Å; F79-L211 HydrophobicContact CE2-CD2 4.02Å; F79-L211 HydrophobicContact CE2-CG 3.99Å; F79-F334 AromaticContact CE2-CD1 3.82Å; F79-F334 HydrophobicContact CE2-CD1 3.82Å; F79-F334 AromaticContact CE2-CE1 3.78Å; F79-F334 HydrophobicContact CE2-CE1 3.78Å; F79-F334 AromaticContact CZ-CD1 3.87Å; F79-F334 HydrophobicContact CZ-CD1 3.87Å; F79-F334 AromaticContact CZ-CE1 4Å; F79-F334 HydrophobicContact CZ-CE1 4Å; F79-I335 HydrophobicContact CD1-CG1 4.04Å; F79-I335 HydrophobicContact CD1-CG2 4.26Å; F79-I335 HydrophobicContact CD2-CB 4.48Å; F79-I335 HydrophobicContact CD2-CG1 4.48Å; F79-I335 HydrophobicContact CD2-CG2 4.21Å; F79-I335 HydrophobicContact CE1-CD1 4.4Å; F79-I335 HydrophobicContact CE1-CG1 3.63Å; F79-I335 HydrophobicContact CE2-CB 4.36Å; F79-I335 HydrophobicContact CE2-CG1 4.1Å; F79-I335 HydrophobicContact CG-CG1 4.47Å; F79-I335 HydrophobicContact CG-CG2 4.05Å; F79-I335 HydrophobicContact CZ-CB 4.42Å; F79-I335 HydrophobicContact CZ-CG1 3.67Å; F79-I338 HydrophobicContact CB-CD1 3.65Å; F79-I338 HydrophobicContact CD2-CD1 4.2Å; F79-I338 HydrophobicContact CG-CD1 4.44Å
80	K	98.9	Very high	98.5	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.4	166.8	61.2	174.2	169.7	64.1	0	116.5	H124 W203 I204 F209 L211 S212 A213 N296 E304	K80-H124 CarbonylContact C-O 3.56Å; K80-H124 WeakPolarHBondContact CA-O 3.2Å; K80-H124 HydrophobicContact CB-CB 4.15Å; K80-W203 HydrophobicContact CB-CH2 3.77Å; K80-W203 HydrophobicContact CB-CZ2 4.14Å; K80-W203 HydrophobicContact CD-CE3 4.46Å; K80-W203 HydrophobicContact CD-CH2 3.56Å; K80-W203 HydrophobicContact CD-CZ2 4.13Å; K80-W203 HydrophobicContact CD-CZ3 3.73Å; K80-W203 HydrophobicContact CG-CH2 4.28Å; K80-I204 HydrophobicContact CD-CG2 4.36Å; K80-F209 HydrophobicContact CB-CD1 3.86Å; K80-F209 HydrophobicContact CB-CE1 3.63Å; K80-F209 HydrophobicContact CB-CZ 4.13Å; K80-F209 HydrophobicContact CD-CD1 3.95Å; K80-F209 HydrophobicContact CD-CD2 3.68Å; K80-F209 HydrophobicContact CD-CE1 4.04Å; K80-F209 HydrophobicContact CD-CE2 3.75Å; K80-F209 HydrophobicContact CD-CG 3.79Å; K80-F209 HydrophobicContact CD-CZ 3.95Å; K80-F209 HydrophobicContact CG-CD1 3.73Å; K80-F209 HydrophobicContact CG-CD2 4.36Å; K80-F209 HydrophobicContact CG-CE1 3.96Å; K80-F209 HydrophobicContact CG-CG 3.97Å; K80-F209 HydrophobicContact CG-CZ 4.36Å; K80-L211 PolarHBondContact N-O 2.93Å; K80-S212 WeakPolarHBondContact CG-OG 3.06Å; K80-S212 PolarHBondContact NZ-OG 2.86Å; K80-S212 WeakPolarHBondContact O-CA 3.25Å; K80-S212 PolarHBondContact O-OG 3.39Å; K80-A213 PolarHBondContact O-N 3.1Å; K80-N296 WeakPolarHBondContact CE-OD1 3.37Å; K80-N296 PolarHBondContact NZ-OD1 3.11Å; K80-E304 IonicContact NZ-OE2 2.74Å; K80-E304 PolarHBondContact NZ-OE2 3.16Å
81	Y	99	Very high	98.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.8	162.1	-87.1	-48.2	0	0	0	111.2	F79 L96 L99 H124 M126 A213 L215 L307 L331 F334 I335	F79-Y81 HydrophobicContact CE1-CD1 4.15Å; F79-Y81 AromaticContact CE1-CD2 3.46Å; F79-Y81 HydrophobicContact CE1-CD2 3.46Å; F79-Y81 VanDerWaalsContact CE1-CD2 3.46Å; F79-Y81 HydrophobicContact CE1-CE1 4.36Å; F79-Y81 AromaticContact CE1-CE2 3.71Å; F79-Y81 HydrophobicContact CE1-CE2 3.71Å; F79-Y81 AromaticContact CE1-CG 3.69Å; F79-Y81 HydrophobicContact CE1-CG 3.69Å; F79-Y81 AromaticContact CZ-CD1 3.98Å; F79-Y81 HydrophobicContact CZ-CD1 3.98Å; F79-Y81 AromaticContact CZ-CD2 3.87Å; F79-Y81 HydrophobicContact CZ-CD2 3.87Å; F79-Y81 AromaticContact CZ-CE1 3.82Å; F79-Y81 HydrophobicContact CZ-CE1 3.82Å; F79-Y81 AromaticContact CZ-CE2 3.69Å; F79-Y81 HydrophobicContact CZ-CE2 3.69Å; F79-Y81 AromaticContact CZ-CG 3.99Å; F79-Y81 HydrophobicContact CZ-CG 3.99Å; F79-Y81 AromaticContact CZ-CZ 3.67Å; Y81-L96 HydrophobicContact CD2-CD2 3.85Å; Y81-L96 HydrophobicContact CG-CD2 3.81Å; Y81-L99 HydrophobicContact CD2-CD2 3.85Å; Y81-L99 HydrophobicContact CE2-CD2 3.95Å; Y81-H124 PolarHBondContact N-O 3.4Å; Y81-M126 PolarHBondContact O-N 2.83Å; Y81-A213 WeakPolarHBondContact CA-O 3.42Å; Y81-A213 HydrophobicContact CD1-CB 3.85Å; Y81-A213 WeakPolarHBondContact CD1-O 3.43Å; Y81-A213 HydrophobicContact CE1-CB 3.56Å; Y81-L215 HydrophobicContact CD1-CD1 3.58Å; Y81-L215 HydrophobicContact CE1-CD1 4.14Å; Y81-L215 HydrophobicContact CG-CD1 4.25Å; Y81-L307 HydrophobicContact CE1-CD1 4.33Å; Y81-L331 HydrophobicContact CD2-CD2 4.46Å; Y81-L331 HydrophobicContact CE1-CD2 4.26Å; Y81-L331 HydrophobicContact CE2-CB 4.39Å; Y81-L331 HydrophobicContact CE2-CD2 3.77Å; Y81-L331 WeakPolarHBondContact OH-CA 3.42Å; Y81-L331 PolarHBondContact OH-O 2.72Å; Y81-L331 VanDerWaalsContact OH-O 3.12Å; Y81-F334 AromaticContact CE1-CD1 3.89Å; Y81-F334 HydrophobicContact CE1-CD1 3.89Å; Y81-F334 HydrophobicContact CE1-CE1 4.23Å; Y81-F334 AromaticContact CZ-CD1 3.82Å; Y81-F334 WeakPolarHBondContact OH-CB 3.49Å; Y81-F334 VanDerWaalsContact OH-CD1 3.24Å; Y81-F334 WeakPolarHBondContact OH-CD1 3.39Å; Y81-I335 HydrophobicContact CE2-CD1 4.03Å; Y81-I335 HydrophobicContact CE2-CG1 3.82Å
82	V	99	Very high	98.6	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.012	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.1	176.1	-176.3	0	0	0	0	110.4	M126 M129 W203 A213 N214 L215 M292	V82-M126 HydrophobicContact CG1-SD 3.94Å; V82-M126 HydrophobicContact CG2-CB 4.48Å; V82-M129 HydrophobicContact CG1-CB 3.92Å; V82-M129 HydrophobicContact CG1-SD 4.37Å; V82-W203 HydrophobicContact CG2-CH2 4.27Å; V82-W203 HydrophobicContact CG2-CZ3 3.85Å; V82-A213 PolarHBondContact N-O 3.13Å; V82-N214 HydrophobicContact CB-CB 4.39Å; V82-N214 CarbonylContact O-C 3.47Å; V82-N214 WeakPolarHBondContact O-CA 3.38Å; V82-L215 PolarHBondContact O-N 3.46Å; V82-M292 HydrophobicContact CB-CE 4.1Å; V82-M292 HydrophobicContact CG1-CE 3.99Å; V82-M292 HydrophobicContact CG2-CE 4.46Å
83	G	98.9	Very high	98.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	158.1	176.5	0	0	0	0	0	112.9	M85 M126 P127 S128 M129	G83-M85 VanDerWaalsContact C-N 3.32Å; G83-M85 PolarHBondContact O-N 3.46Å; G83-M126 PolarHBondContact N-O 3.04Å; G83-P127 CarbonylContact C-O 3.59Å; G83-P127 WeakPolarHBondContact CA-O 3.48Å; G83-S128 WeakPolarHBondContact O-CA 3.32Å; G83-M129 PolarHBondContact O-N 3.14Å
84	N	98.9	Very high	98.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.04	C	C	.	.			trans	56.5	43.6	158.2	-174.6	-121.7	0	0	0	113.4	H86 G87 E89 R93 S128 N130	N84-H86 VanDerWaalsContact C-N 3.27Å; N84-H86 PolarHBondContact ND2-O 3.36Å; N84-G87 VanDerWaalsContact ND2-C 3.32Å; N84-G87 WeakPolarHBondContact ND2-CA 3.36Å; N84-G87 PolarHBondContact ND2-O 3.23Å; N84-E89 PolarHBondContact ND2-O 2.81Å; N84-R93 HydrophobicContact CB-CB 3.82Å; N84-S128 PolarHBondContact OD1-OG 3.46Å; N84-N130 WeakPolarHBondContact O-CB 3.4Å; N84-N130 PolarHBondContact O-N 3.28Å
85	M	98.9	Very high	98.7	Very high	3 Å²	3	3.7 Å²	3.7	2%	0.015	2%	0.019	C	C	.	.	S	Bend	trans	-70.6	-27.5	168.5	76	177.3	-49.5	0	0	112.1	G83 M129 N130 L159 N160 F163 H216 M292	G83-M85 VanDerWaalsContact C-N 3.32Å; G83-M85 PolarHBondContact O-N 3.46Å; M85-M129 HydrophobicContact CB-CB 4.02Å; M85-M129 HydrophobicContact CB-CG 4.26Å; M85-M129 HydrophobicContact CB-SD 3.61Å; M85-M129 HydrophobicContact CE-CE 4.42Å; M85-M129 HydrophobicContact CE-SD 4Å; M85-N130 WeakPolarHBondContact O-CB 3.43Å; M85-N130 PolarHBondContact O-ND2 3.49Å; M85-L159 HydrophobicContact CE-CB 4.23Å; M85-N160 HydrophobicContact CE-CB 3.49Å; M85-N160 VanDerWaalsContact CE-CB 3.49Å; M85-N160 HydrophobicContact SD-CB 3.77Å; M85-F163 HydrophobicContact CE-CE2 4.33Å; M85-H216 VanDerWaalsContact CG-CE1 3.43Å; M85-H216 WeakPolarHBondContact CG-CE1 3.44Å; M85-H216 PolarHBondContact SD-CE1 3.01Å; M85-H216 PolarHBondContact SD-NE2 3.36Å; M85-M292 HydrophobicContact CE-CB 4.09Å; M85-M292 HydrophobicContact CE-CE 4.36Å; M85-M292 HydrophobicContact CE-SD 4.42Å; M85-M292 HydrophobicContact SD-CE 4.15Å
86	H	98.8	Very high	98.7	Very high	3 Å²	3	1.8 Å²	1.8	1%	0.014	1%	0.009	C	C	.	.	S	Bend	trans	-96	120.1	157.6	-58.7	131.7	0	0	0	108.5	N84 N88 E89 R151 D158 H216	N84-H86 VanDerWaalsContact C-N 3.27Å; N84-H86 PolarHBondContact ND2-O 3.36Å; H86-N88 PolarHBondContact O-N 2.9Å; H86-N88 VanDerWaalsContact O-N 3.13Å; H86-E89 HydrophobicContact CB-CB 4.11Å; H86-E89 HydrophobicContact CB-CG 3.91Å; H86-E89 IonicContact CE1-OE2 3.5Å; H86-E89 IonicContact CG-OE1 2.75Å; H86-E89 IonicContact CG-OE2 2.91Å; H86-E89 IonicContact ND1-OE1 3.47Å; H86-E89 PolarHBondContact ND1-OE1 3.24Å; H86-E89 IonicContact ND1-OE2 3.53Å; H86-E89 PolarHBondContact ND1-OE2 2.97Å; H86-E89 PolarHBondContact O-N 3.38Å; H86-R151 VanDerWaalsContact CA-O 3.3Å; H86-R151 WeakPolarHBondContact CA-O 3.2Å; H86-R151 HydrophobicContact CB-CG 3.96Å; H86-R151 PolarHBondContact CE1-NH1 2.85Å; H86-R151 PolarHBondContact CE1-NH2 3.24Å; H86-R151 PolarHBondContact ND1-NH1 2.82Å; H86-R151 VanDerWaalsContact ND1-NH1 3.1Å; H86-R151 VanDerWaalsContact NE2-CZ 3.26Å; H86-R151 PolarHBondContact NE2-NH2 3.12Å; H86-D158 IonicContact CD2-OD1 2.81Å; H86-D158 IonicContact NE2-OD1 3.96Å; H86-D158 PolarHBondContact NE2-OD1 2.97Å; H86-D158 VanDerWaalsContact NE2-OD1 3.16Å; H86-D158 IonicContact NE2-OD2 3.56Å; H86-H216 AromaticContact CE1-CE1 3.28Å; H86-H216 PolarHBondContact CE1-CE1 3.3Å; H86-H216 AromaticContact CE1-ND1 3.56Å; H86-H216 AromaticContact ND1-CE1 3.3Å; H86-H216 PolarHBondContact ND1-CE1 2.99Å; H86-H216 VanDerWaalsContact ND1-CE1 3.3Å; H86-H216 AromaticContact ND1-ND1 3.25Å; H86-H216 PolarHBondContact ND1-ND1 2.92Å
87	G	98.5	Very high	98.7	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28	-170.8	0	0	0	0	0	114.3	N84 Y134 G150 R151	N84-G87 VanDerWaalsContact ND2-C 3.32Å; N84-G87 WeakPolarHBondContact ND2-CA 3.36Å; N84-G87 PolarHBondContact ND2-O 3.23Å; G87-Y134 WeakPolarHBondContact O-CA 3.42Å; G87-G150 CarbonylContact C-O 3.37Å; G87-G150 WeakPolarHBondContact CA-O 3.46Å; G87-G150 PolarHBondContact N-O 3.45Å; G87-R151 PolarHBondContact N-O 2.78Å
88	N	98.2	Very high	98.7	Very high	2 Å²	2	2.4 Å²	2.4	1%	0.011	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2	177.1	70	-27.3	0	0	0	115.7	H86 V90 A137 I145 Y147 T149 G150 R151 K313	H86-N88 PolarHBondContact O-N 2.9Å; H86-N88 VanDerWaalsContact O-N 3.13Å; N88-V90 PolarHBondContact O-N 3.44Å; N88-A137 HydrophobicContact CB-CB 3.84Å; N88-I145 HydrophobicContact CB-CD1 3.55Å; N88-Y147 PolarHBondContact ND2-O 3.47Å; N88-T149 WeakPolarHBondContact CB-O 3.41Å; N88-T149 PolarHBondContact ND2-O 3.09Å; N88-G150 PolarHBondContact N-O 3.12Å; N88-R151 VanDerWaalsContact OD1-CA 3.3Å; N88-R151 WeakPolarHBondContact OD1-CA 3.4Å; N88-R151 WeakPolarHBondContact OD1-CB 3.41Å; N88-K313 CarbonylContact O-C 3.34Å; N88-K313 VanDerWaalsContact O-CB 3.28Å; N88-K313 WeakPolarHBondContact O-CB 3.44Å
89	E	98.3	Very high	98.7	Very high	2 Å²	2	2.2 Å²	2.2	1%	0.009	1%	0.011	C	C	.	.			trans	-95.7	83.2	173.9	-67.6	170.1	-159.7	0	0	107.1	N84 H86 R151 H216 G217 K313	N84-E89 PolarHBondContact ND2-O 2.81Å; H86-E89 HydrophobicContact CB-CB 4.11Å; H86-E89 HydrophobicContact CB-CG 3.91Å; H86-E89 IonicContact CE1-OE2 3.5Å; H86-E89 IonicContact CG-OE1 2.75Å; H86-E89 IonicContact CG-OE2 2.91Å; H86-E89 IonicContact ND1-OE1 3.47Å; H86-E89 PolarHBondContact ND1-OE1 3.24Å; H86-E89 IonicContact ND1-OE2 3.53Å; H86-E89 PolarHBondContact ND1-OE2 2.97Å; H86-E89 PolarHBondContact O-N 3.38Å; E89-R151 IonicContact OE1-NH1 2.78Å; E89-R151 PolarHBondContact OE1-NH1 2.69Å; E89-H216 IonicContact OE2-CE1 2.79Å; E89-H216 IonicContact OE2-CG 3.85Å; E89-H216 IonicContact OE2-ND1 3.98Å; E89-H216 PolarHBondContact OE2-ND1 3.38Å; E89-G217 VanDerWaalsContact CG-O 3.31Å; E89-G217 WeakPolarHBondContact CG-O 3.22Å; E89-G217 PolarHBondContact OE2-N 2.9Å; E89-K313 CarbonylContact C-O 3.57Å; E89-K313 WeakPolarHBondContact CA-O 3.25Å; E89-K313 HydrophobicContact CG-CB 4.12Å; E89-K313 HydrophobicContact CG-CD 3.79Å; E89-K313 HydrophobicContact CG-CG 4.14Å; E89-K313 IonicContact OE1-NZ 3.8Å; E89-K313 PolarHBondContact OE1-NZ 3.01Å
90	V	98.1	Very high	98.7	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.			trans	-88.3	-31	-160.6	171.6	0	0	0	0	113.2	N88 G92 R93 E94 Y134 K313 F314	N88-V90 PolarHBondContact O-N 3.44Å; V90-G92 PolarHBondContact O-N 3.4Å; V90-G92 VanDerWaalsContact O-N 3.14Å; V90-R93 VanDerWaalsContact O-CB 3.27Å; V90-R93 WeakPolarHBondContact O-CB 3.12Å; V90-R93 PolarHBondContact O-N 2.65Å; V90-E94 HydrophobicContact CG1-CG 3.96Å; V90-E94 PolarHBondContact O-N 3.13Å; V90-Y134 HydrophobicContact CB-CE2 4.44Å; V90-Y134 HydrophobicContact CG1-CE2 3.88Å; V90-Y134 HydrophobicContact CG2-CD2 3.98Å; V90-Y134 HydrophobicContact CG2-CE2 3.81Å; V90-K313 PolarHBondContact N-O 3.46Å; V90-F314 HydrophobicContact CB-CD1 4.14Å; V90-F314 HydrophobicContact CB-CD2 4.34Å; V90-F314 HydrophobicContact CB-CE1 4.34Å; V90-F314 HydrophobicContact CB-CG 4.13Å; V90-F314 HydrophobicContact CG1-CD1 4.27Å; V90-F314 HydrophobicContact CG1-CE1 4.07Å; V90-F314 HydrophobicContact CG1-CZ 4.34Å; V90-F314 HydrophobicContact CG2-CB 4.35Å; V90-F314 HydrophobicContact CG2-CD1 4Å; V90-F314 HydrophobicContact CG2-CD2 3.37Å; V90-F314 HydrophobicContact CG2-CE1 4.08Å; V90-F314 HydrophobicContact CG2-CE2 3.49Å; V90-F314 VanDerWaalsContact CG2-CE2 3.49Å; V90-F314 HydrophobicContact CG2-CG 3.65Å; V90-F314 HydrophobicContact CG2-CZ 3.84Å
91	L	98.4	Very high	98.7	Very high	2 Å²	2	4.9 Å²	4.9	1%	0.01	2%	0.024	C	C	.	.	H	α-helix	trans	-56.2	-40.5	-172.5	-179.9	57.5	0	0	0	112.5	R93 E94 L95 L309 P315 L320 Q323	L91-R93 VanDerWaalsContact C-N 3.3Å; L91-R93 PolarHBondContact O-N 3.11Å; L91-E94 PolarHBondContact O-N 3.03Å; L91-L95 HydrophobicContact CD1-CD1 4.01Å; L91-L95 HydrophobicContact CD1-CD2 4.27Å; L91-L95 HydrophobicContact CD1-CG 3.82Å; L91-L95 HydrophobicContact CD2-CD1 4.31Å; L91-L95 HydrophobicContact CG-CD1 3.74Å; L91-L95 HydrophobicContact CG-CG 4.06Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.19Å; L91-L95 PolarHBondContact O-N 2.91Å; L91-L309 HydrophobicContact CD2-CB 3.79Å; L91-L309 HydrophobicContact CG-CB 4.38Å; L91-P315 HydrophobicContact CB-CG 4.16Å; L91-P315 HydrophobicContact CD1-CG 4.4Å; L91-L320 HydrophobicContact CD1-CD2 4.08Å; L91-Q323 HydrophobicContact CD1-CB 3.53Å; L91-Q323 HydrophobicContact CD1-CG 3.88Å; L91-Q323 HydrophobicContact CD2-CB 3.98Å; L91-Q323 HydrophobicContact CD2-CG 3.87Å; L91-Q323 HydrophobicContact CG-CB 4.39Å
92	G	98.8	Very high	98.7	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.01	3%	0.03	C	C	.	.	H	α-helix	trans	-59.5	-36.5	176.1	0	0	0	0	0	113.9	V90 L96	V90-G92 PolarHBondContact O-N 3.4Å; V90-G92 VanDerWaalsContact O-N 3.14Å; G92-L96 VanDerWaalsContact O-CG 3.25Å; G92-L96 WeakPolarHBondContact O-CG 3.18Å; G92-L96 PolarHBondContact O-N 3.4Å; G92-L96 VanDerWaalsContact O-N 3.17Å
93	R	98.8	Very high	98.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-61.1	-52.8	176	177.5	-170.1	178.1	96.6	-1.7	111	H26 R27 M31 N84 V90 L91 L96 L97 P127 S128	H26-R93 PolarHBondContact O-NE 2.8Å; H26-R93 PolarHBondContact O-NH2 2.83Å; R27-R93 PolarHBondContact O-NH2 3.44Å; M31-R93 PolarHBondContact SD-NH1 3.47Å; M31-R93 VanDerWaalsContact SD-NH1 3.42Å; M31-R93 PolarHBondContact SD-NH2 3.05Å; M31-R93 VanDerWaalsContact SD-NH2 3.37Å; N84-R93 HydrophobicContact CB-CB 3.82Å; V90-R93 VanDerWaalsContact O-CB 3.27Å; V90-R93 WeakPolarHBondContact O-CB 3.12Å; V90-R93 PolarHBondContact O-N 2.65Å; L91-R93 VanDerWaalsContact C-N 3.3Å; L91-R93 PolarHBondContact O-N 3.11Å; R93-L96 PolarHBondContact O-N 2.82Å; R93-L97 PolarHBondContact O-N 2.99Å; R93-P127 VanDerWaalsContact CA-O 3.31Å; R93-P127 WeakPolarHBondContact CA-O 3.42Å; R93-P127 WeakPolarHBondContact CB-O 3.49Å; R93-P127 HydrophobicContact CG-CB 4.38Å; R93-S128 PolarHBondContact NH1-OG 3.31Å; R93-S128 VanDerWaalsContact NH1-OG 3.15Å
94	E	98.8	Very high	98.7	Very high	5 Å²	5	6.3 Å²	6.3	2%	0.023	3%	0.03	C	C	.	.	H	α-helix	trans	-68.6	-39.4	-175.3	-52.9	-53.5	156.2	0	0	111	H26 V90 L91 L96 L97 Q98 L320	H26-E94 IonicContact CE1-OE2 3.88Å; H26-E94 IonicContact CG-OE2 3.34Å; H26-E94 PolarHBondContact N-OE1 2.88Å; H26-E94 VanDerWaalsContact N-OE1 3.09Å; H26-E94 PolarHBondContact N-OE2 2.77Å; H26-E94 IonicContact ND1-OE2 2.79Å; H26-E94 PolarHBondContact ND1-OE2 3.08Å; V90-E94 HydrophobicContact CG1-CG 3.96Å; V90-E94 PolarHBondContact O-N 3.13Å; L91-E94 PolarHBondContact O-N 3.03Å; E94-L96 VanDerWaalsContact C-N 3.28Å; E94-L96 PolarHBondContact O-N 3.42Å; E94-L97 PolarHBondContact O-N 3.02Å; E94-Q98 VanDerWaalsContact O-CG 3.26Å; E94-Q98 WeakPolarHBondContact O-CG 3.17Å; E94-Q98 PolarHBondContact O-N 3.31Å; E94-L320 HydrophobicContact CB-CD2 4.31Å; E94-L320 HydrophobicContact CG-CD1 4.49Å; E94-L320 HydrophobicContact CG-CD2 4.3Å
95	L	98.9	Very high	98.6	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.016	4%	0.039	C	C	.	.	H	α-helix	trans	-61	-35.1	175.3	-71.7	176.6	0	0	0	113	L91 Q98 L99 L309 W324 N327 L331	L91-L95 HydrophobicContact CD1-CD1 4.01Å; L91-L95 HydrophobicContact CD1-CD2 4.27Å; L91-L95 HydrophobicContact CD1-CG 3.82Å; L91-L95 HydrophobicContact CD2-CD1 4.31Å; L91-L95 HydrophobicContact CG-CD1 3.74Å; L91-L95 HydrophobicContact CG-CG 4.06Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.19Å; L91-L95 PolarHBondContact O-N 2.91Å; L95-Q98 PolarHBondContact O-N 2.69Å; L95-L99 VanDerWaalsContact O-CB 3.27Å; L95-L99 WeakPolarHBondContact O-CB 3.36Å; L95-L99 PolarHBondContact O-N 3.16Å; L95-L309 HydrophobicContact CD1-CD1 3.55Å; L95-W324 HydrophobicContact CD2-CB 4.11Å; L95-W324 HydrophobicContact CD2-CE3 3.91Å; L95-N327 HydrophobicContact CD1-CB 3.92Å; L95-N327 HydrophobicContact CD2-CB 4.11Å; L95-L331 HydrophobicContact CB-CD1 4.35Å
96	L	98.9	Very high	98.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-75.2	-30	177.8	-70	-177.4	0	0	0	113	Y81 G92 R93 E94 L99 S100 I125 M126 P127 L215	Y81-L96 HydrophobicContact CD2-CD2 3.85Å; Y81-L96 HydrophobicContact CG-CD2 3.81Å; G92-L96 VanDerWaalsContact O-CG 3.25Å; G92-L96 WeakPolarHBondContact O-CG 3.18Å; G92-L96 PolarHBondContact O-N 3.4Å; G92-L96 VanDerWaalsContact O-N 3.17Å; R93-L96 PolarHBondContact O-N 2.82Å; E94-L96 VanDerWaalsContact C-N 3.28Å; E94-L96 PolarHBondContact O-N 3.42Å; L96-L99 HydrophobicContact CD2-CD2 4.18Å; L96-S100 WeakPolarHBondContact O-CB 3.48Å; L96-S100 PolarHBondContact O-N 3.04Å; L96-S100 VanDerWaalsContact O-N 3.1Å; L96-S100 PolarHBondContact O-OG 3.28Å; L96-I125 HydrophobicContact CB-CG2 3.68Å; L96-I125 HydrophobicContact CD1-CG2 4.22Å; L96-I125 HydrophobicContact CD2-CG2 4.06Å; L96-I125 HydrophobicContact CG-CG2 4.17Å; L96-M126 WeakPolarHBondContact CD1-O 3.23Å; L96-P127 HydrophobicContact CB-CB 4.37Å; L96-L215 HydrophobicContact CD1-CD1 4.45Å; L96-L215 HydrophobicContact CD1-CD2 4.34Å; L96-L215 HydrophobicContact CD2-CD2 4.02Å; L96-L215 HydrophobicContact CG-CD2 3.98Å
97	L	98.8	Very high	98.6	Very high	10 Å²	10	12.4 Å²	12.4	5%	0.052	6%	0.056	C	C	.	.	H	α-helix	trans	-66.9	-46.5	168.4	-66.2	176.1	0	0	0	111	H26 M31 A34 L35 R93 E94 L99 S100 E101 P127	H26-L97 HydrophobicContact CB-CD1 3.79Å; M31-L97 HydrophobicContact CB-CD1 4.31Å; M31-L97 HydrophobicContact CG-CD1 4.05Å; M31-L97 HydrophobicContact CG-CD2 3.89Å; M31-L97 HydrophobicContact CG-CG 4.44Å; A34-L97 HydrophobicContact CB-CD2 4.34Å; L35-L97 HydrophobicContact CD2-CD2 3.72Å; L35-L97 HydrophobicContact CG-CD2 4Å; R93-L97 PolarHBondContact O-N 2.99Å; E94-L97 PolarHBondContact O-N 3.02Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 3.16Å; L97-S100 WeakPolarHBondContact O-CB 3.07Å; L97-S100 PolarHBondContact O-N 2.91Å; L97-S100 VanDerWaalsContact O-N 3.11Å; L97-E101 PolarHBondContact O-N 3.49Å; L97-P127 HydrophobicContact CD2-CB 4.11Å; L97-P127 HydrophobicContact CD2-CG 3.8Å; L97-P127 HydrophobicContact CG-CB 4.26Å; L97-P127 HydrophobicContact CG-CG 4.41Å
98	Q	98.6	Very high	98.6	Very high	13 Å²	13	19.7 Å²	19.7	6%	0.061	8%	0.084	C	C	.	.	H	α-helix	trans	-63.4	-38.3	177.1	-66.6	-64.9	-12.6	0	0	112.4	F23 E94 L95 S100 E101 F102 W324	F23-Q98 HydrophobicContact CD1-CG 4.41Å; F23-Q98 HydrophobicContact CE1-CG 4.12Å; E94-Q98 VanDerWaalsContact O-CG 3.26Å; E94-Q98 WeakPolarHBondContact O-CG 3.17Å; E94-Q98 PolarHBondContact O-N 3.31Å; L95-Q98 PolarHBondContact O-N 2.69Å; Q98-S100 VanDerWaalsContact C-N 3.32Å; Q98-S100 PolarHBondContact O-N 2.97Å; Q98-E101 PolarHBondContact O-N 3.31Å; Q98-F102 VanDerWaalsContact O-CB 3.24Å; Q98-F102 WeakPolarHBondContact O-CB 3.36Å; Q98-F102 PolarHBondContact O-N 2.68Å; Q98-W324 HydrophobicContact CB-CD2 3.89Å; Q98-W324 HydrophobicContact CB-CE3 3.62Å; Q98-W324 HydrophobicContact CB-CG 4.49Å; Q98-W324 HydrophobicContact CB-CH2 4.37Å; Q98-W324 HydrophobicContact CB-CZ3 3.89Å
99	L	98.9	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-40.5	173	-179.1	62.7	0	0	0	111.6	Y81 L95 L96 L97 F102 L103 I125 W324 L331 V332 I335	Y81-L99 HydrophobicContact CD2-CD2 3.85Å; Y81-L99 HydrophobicContact CE2-CD2 3.95Å; L95-L99 VanDerWaalsContact O-CB 3.27Å; L95-L99 WeakPolarHBondContact O-CB 3.36Å; L95-L99 PolarHBondContact O-N 3.16Å; L96-L99 HydrophobicContact CD2-CD2 4.18Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 3.16Å; L99-F102 HydrophobicContact CD1-CD1 4.28Å; L99-F102 PolarHBondContact O-N 3.17Å; L99-L103 HydrophobicContact CD1-CD1 4.28Å; L99-L103 HydrophobicContact CD1-CD2 4.49Å; L99-L103 HydrophobicContact CD1-CG 4.1Å; L99-L103 HydrophobicContact CG-CD1 4.09Å; L99-L103 HydrophobicContact CG-CG 4.33Å; L99-L103 WeakPolarHBondContact O-CB 3.23Å; L99-L103 VanDerWaalsContact O-CG 3.25Å; L99-L103 WeakPolarHBondContact O-CG 3.34Å; L99-L103 PolarHBondContact O-N 2.68Å; L99-I125 HydrophobicContact CD2-CD1 4.01Å; L99-I125 HydrophobicContact CG-CD1 4.17Å; L99-W324 HydrophobicContact CB-CH2 4.33Å; L99-W324 HydrophobicContact CB-CZ3 4.15Å; L99-W324 HydrophobicContact CD1-CH2 4.39Å; L99-L331 HydrophobicContact CD1-CB 4.37Å; L99-L331 HydrophobicContact CD2-CB 4.32Å; L99-V332 HydrophobicContact CD1-CG2 4.37Å; L99-I335 HydrophobicContact CD2-CD1 4.39Å
100	S	98.8	Very high	98.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-46.2	178.7	-59.7	0	0	0	0	111.7	V38 F65 L96 L97 Q98 C104	V38-S100 WeakPolarHBondContact CG1-O 3.08Å; F65-S100 WeakPolarHBondContact CZ-O 3.35Å; L96-S100 WeakPolarHBondContact O-CB 3.48Å; L96-S100 PolarHBondContact O-N 3.04Å; L96-S100 VanDerWaalsContact O-N 3.1Å; L96-S100 PolarHBondContact O-OG 3.28Å; L97-S100 WeakPolarHBondContact O-CB 3.07Å; L97-S100 PolarHBondContact O-N 2.91Å; L97-S100 VanDerWaalsContact O-N 3.11Å; Q98-S100 VanDerWaalsContact C-N 3.32Å; Q98-S100 PolarHBondContact O-N 2.97Å; S100-C104 PolarHBondContact O-N 2.86Å
101	E	98.5	Very high	98.6	Very high	55 Å²	55	32.1 Å²	32.1	26%	0.257	15%	0.15	S	C	.	.	H	α-helix	trans	-61.6	-49	174.2	-175.1	171.4	-136.4	0	0	111	V38 L97 Q98 L103 C104 E105	V38-E101 HydrophobicContact CG2-CB 4.37Å; L97-E101 PolarHBondContact O-N 3.49Å; Q98-E101 PolarHBondContact O-N 3.31Å; E101-L103 PolarHBondContact O-N 2.81Å; E101-C104 PolarHBondContact O-N 3.08Å; E101-E105 HydrophobicContact CG-CG 4.27Å; E101-E105 WeakPolarHBondContact O-CG 3.24Å; E101-E105 PolarHBondContact O-N 2.97Å
102	F	98.7	Very high	98.6	Very high	32 Å²	32	38.2 Å²	38.2	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-46.3	178.6	171.3	-98.2	0	0	0	113.4	Q98 L99 C104 E105 E106 V114 W324 R328 V332	Q98-F102 VanDerWaalsContact O-CB 3.24Å; Q98-F102 WeakPolarHBondContact O-CB 3.36Å; Q98-F102 PolarHBondContact O-N 2.68Å; L99-F102 HydrophobicContact CD1-CD1 4.28Å; L99-F102 PolarHBondContact O-N 3.17Å; F102-C104 VanDerWaalsContact C-N 3.34Å; F102-C104 PolarHBondContact O-N 3.35Å; F102-E105 PolarHBondContact O-N 2.88Å; F102-E106 HydrophobicContact CD2-CG 3.77Å; F102-E106 HydrophobicContact CE1-CG 4.34Å; F102-E106 HydrophobicContact CE2-CG 3.39Å; F102-E106 HydrophobicContact CG-CG 4.4Å; F102-E106 HydrophobicContact CZ-CG 3.73Å; F102-E106 VanDerWaalsContact O-CB 3.32Å; F102-E106 WeakPolarHBondContact O-CB 3.37Å; F102-E106 WeakPolarHBondContact O-CG 3.49Å; F102-E106 PolarHBondContact O-N 3.23Å; F102-V114 HydrophobicContact CE1-CG2 4.03Å; F102-V114 HydrophobicContact CZ-CG2 4.33Å; F102-W324 HydrophobicContact CB-CH2 3.76Å; F102-W324 HydrophobicContact CB-CZ2 3.64Å; F102-W324 HydrophobicContact CD1-CH2 4.37Å; F102-W324 HydrophobicContact CD2-CZ2 4.03Å; F102-W324 HydrophobicContact CG-CH2 4.01Å; F102-W324 AromaticContact CG-CZ2 3.81Å; F102-W324 HydrophobicContact CG-CZ2 3.81Å; F102-R328 HydrophobicContact CE1-CG 4.5Å; F102-R328 HydrophobicContact CE2-CG 4.36Å; F102-R328 HydrophobicContact CZ-CG 4.33Å; F102-V332 HydrophobicContact CD1-CG2 4.48Å; F102-V332 HydrophobicContact CE1-CG2 3.8Å
103	L	98.8	Very high	98.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-43.6	178.8	-72.5	174.3	0	0	0	111	F65 L99 E101 Y107 V114 L117 I118 I125	F65-L103 HydrophobicContact CD1-CB 4.26Å; F65-L103 HydrophobicContact CD2-CD1 4.24Å; F65-L103 HydrophobicContact CE1-CB 3.86Å; F65-L103 HydrophobicContact CE2-CD1 4.28Å; F65-L103 HydrophobicContact CG-CD1 4.46Å; F65-L103 HydrophobicContact CZ-CB 4.06Å; L99-L103 HydrophobicContact CD1-CD1 4.28Å; L99-L103 HydrophobicContact CD1-CD2 4.49Å; L99-L103 HydrophobicContact CD1-CG 4.1Å; L99-L103 HydrophobicContact CG-CD1 4.09Å; L99-L103 HydrophobicContact CG-CG 4.33Å; L99-L103 WeakPolarHBondContact O-CB 3.23Å; L99-L103 VanDerWaalsContact O-CG 3.25Å; L99-L103 WeakPolarHBondContact O-CG 3.34Å; L99-L103 PolarHBondContact O-N 2.68Å; E101-L103 PolarHBondContact O-N 2.81Å; L103-Y107 WeakPolarHBondContact O-CB 3.37Å; L103-Y107 PolarHBondContact O-N 2.79Å; L103-V114 HydrophobicContact CD2-CG1 3.88Å; L103-V114 WeakPolarHBondContact O-CG1 3.47Å; L103-L117 HydrophobicContact CD2-CD2 4.44Å; L103-I118 HydrophobicContact CB-CD1 4.45Å; L103-I125 HydrophobicContact CD1-CD1 4.01Å
104	C	98.7	Very high	98.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-47.3	177	175.5	0	0	0	0	112.3	V38 C42 F65 S100 E101 F102 Y107 R108	V38-C104 HydrophobicContact CG1-CB 3.83Å; C42-C104 HydrophobicContact CB-CB 3.91Å; C42-C104 WeakPolarHBondContact CB-SG 3.26Å; C42-C104 WeakPolarHBondContact SG-CA 3.25Å; C42-C104 WeakPolarHBondContact SG-CB 3.45Å; C42-C104 PolarHBondContact SG-O 2.79Å; C42-C104 VanDerWaalsContact SG-O 3.41Å; C42-C104 CovalentContact SG-SG 2.04Å; C42-C104 PolarHBondContact SG-SG 3.04Å; F65-C104 HydrophobicContact CE1-CB 4.31Å; S100-C104 PolarHBondContact O-N 2.86Å; E101-C104 PolarHBondContact O-N 3.08Å; F102-C104 VanDerWaalsContact C-N 3.34Å; F102-C104 PolarHBondContact O-N 3.35Å; C104-Y107 PolarHBondContact O-N 2.87Å; C104-R108 WeakPolarHBondContact O-CB 3.27Å; C104-R108 VanDerWaalsContact O-CG 3.29Å; C104-R108 WeakPolarHBondContact O-CG 3.48Å; C104-R108 PolarHBondContact O-N 3.38Å
105	E	98.3	Very high	98.6	Very high	39 Å²	39	43.5 Å²	43.5	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-49.7	179.5	-74.5	-165.6	171.6	0	0	112.1	E101 F102 Y107 R108 R109	E101-E105 HydrophobicContact CG-CG 4.27Å; E101-E105 WeakPolarHBondContact O-CG 3.24Å; E101-E105 PolarHBondContact O-N 2.97Å; F102-E105 PolarHBondContact O-N 2.88Å; E105-Y107 VanDerWaalsContact C-N 3.34Å; E105-Y107 PolarHBondContact O-N 3.28Å; E105-R108 PolarHBondContact O-N 3.22Å; E105-R109 WeakPolarHBondContact O-CB 3.38Å; E105-R109 VanDerWaalsContact O-CG 3.3Å; E105-R109 WeakPolarHBondContact O-CG 3.21Å; E105-R109 PolarHBondContact O-N 2.69Å; E105-R109 IonicContact OE2-CZ 2.79Å; E105-R109 IonicContact OE2-NH1 2.76Å; E105-R109 PolarHBondContact OE2-NH1 2.83Å; E105-R109 IonicContact OE2-NH2 2.99Å; E105-R109 PolarHBondContact OE2-NH2 3.37Å
106	E	98.6	Very high	98.6	Very high	31 Å²	31	50.2 Å²	50.2	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-69.4	-34.3	-177.4	-71.4	-59.4	120.6	0	0	111.8	F102 R109 G110 N111 V114	F102-E106 HydrophobicContact CD2-CG 3.77Å; F102-E106 HydrophobicContact CE1-CG 4.34Å; F102-E106 HydrophobicContact CE2-CG 3.39Å; F102-E106 HydrophobicContact CG-CG 4.4Å; F102-E106 HydrophobicContact CZ-CG 3.73Å; F102-E106 VanDerWaalsContact O-CB 3.32Å; F102-E106 WeakPolarHBondContact O-CB 3.37Å; F102-E106 WeakPolarHBondContact O-CG 3.49Å; F102-E106 PolarHBondContact O-N 3.23Å; E106-R109 PolarHBondContact O-N 3.48Å; E106-R109 IonicContact OE1-CZ 3.31Å; E106-R109 IonicContact OE1-NH1 4Å; E106-R109 PolarHBondContact OE1-NH1 3.01Å; E106-G110 PolarHBondContact O-N 2.8Å; E106-N111 HydrophobicContact CB-CB 3.86Å; E106-N111 VanDerWaalsContact O-CB 3.25Å; E106-N111 WeakPolarHBondContact O-CB 3.32Å; E106-N111 PolarHBondContact O-N 2.87Å; E106-N111 WeakPolarHBondContact OE2-CB 3.34Å; E106-N111 PolarHBondContact OE2-ND2 3.48Å; E106-V114 HydrophobicContact CB-CB 3.99Å; E106-V114 HydrophobicContact CB-CG1 4.09Å; E106-V114 HydrophobicContact CB-CG2 3.73Å; E106-V114 HydrophobicContact CG-CG2 4.41Å
107	Y	98.5	Very high	98.5	Very high	64 Å²	64	50.5 Å²	50.5	25%	0.251	23%	0.228	S	C	.	.	H	α-helix	trans	-60.1	-48.9	170	-176.8	-95.5	0	0	0	111.4	V45 L103 C104 E105 R109 G110 T115 I118 H119	V45-Y107 HydrophobicContact CB-CE1 4.45Å; V45-Y107 HydrophobicContact CG1-CD1 4.45Å; V45-Y107 HydrophobicContact CG1-CE1 3.67Å; V45-Y107 HydrophobicContact CG1-CE2 4.18Å; V45-Y107 WeakPolarHBondContact CG1-OH 3.42Å; V45-Y107 HydrophobicContact CG2-CD1 3.92Å; V45-Y107 HydrophobicContact CG2-CE1 3.94Å; V45-Y107 HydrophobicContact CG2-CG 4.41Å; L103-Y107 WeakPolarHBondContact O-CB 3.37Å; L103-Y107 PolarHBondContact O-N 2.79Å; C104-Y107 PolarHBondContact O-N 2.87Å; E105-Y107 VanDerWaalsContact C-N 3.34Å; E105-Y107 PolarHBondContact O-N 3.28Å; Y107-R109 VanDerWaalsContact C-N 3.26Å; Y107-R109 PolarHBondContact O-N 3.33Å; Y107-G110 PolarHBondContact O-N 2.74Å; Y107-T115 HydrophobicContact CD2-CG2 4.38Å; Y107-T115 HydrophobicContact CE2-CG2 4.01Å; Y107-I118 HydrophobicContact CD2-CB 4.48Å; Y107-I118 HydrophobicContact CD2-CD1 3.84Å; Y107-I118 HydrophobicContact CE2-CG2 4.47Å; Y107-I118 HydrophobicContact CG-CD1 4.13Å; Y107-H119 AromaticContact CE2-NE2 3.74Å; Y107-H119 PolarHBondContact OH-NE2 2.78Å
108	R	98.3	Very high	98.5	Very high	153 Å²	153	50 Å²	50	58%	0.577	23%	0.225	S	C	*	.	H	α-helix	trans	-63.7	-30.6	177.7	-72.1	174.5	63.6	-159.1	-1.6	113	E41 C42 C104 E105 G110	E41-R108 IonicContact OE2-NH1 2.69Å; E41-R108 PolarHBondContact OE2-NH1 3.37Å; C42-R108 VanDerWaalsContact SG-CD 3.6Å; C104-R108 WeakPolarHBondContact O-CB 3.27Å; C104-R108 VanDerWaalsContact O-CG 3.29Å; C104-R108 WeakPolarHBondContact O-CG 3.48Å; C104-R108 PolarHBondContact O-N 3.38Å; E105-R108 PolarHBondContact O-N 3.22Å; R108-G110 PolarHBondContact O-N 3.38Å
109	R	98.3	Very high	98.5	Very high	163 Å²	163	52.8 Å²	52.8	62%	0.615	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.3	173.4	-71.5	174.3	-174.4	151.5	13.2	113.3	E105 E106 Y107	E105-R109 WeakPolarHBondContact O-CB 3.38Å; E105-R109 VanDerWaalsContact O-CG 3.3Å; E105-R109 WeakPolarHBondContact O-CG 3.21Å; E105-R109 PolarHBondContact O-N 2.69Å; E105-R109 IonicContact OE2-CZ 2.79Å; E105-R109 IonicContact OE2-NH1 2.76Å; E105-R109 PolarHBondContact OE2-NH1 2.83Å; E105-R109 IonicContact OE2-NH2 2.99Å; E105-R109 PolarHBondContact OE2-NH2 3.37Å; E106-R109 PolarHBondContact O-N 3.48Å; E106-R109 IonicContact OE1-CZ 3.31Å; E106-R109 IonicContact OE1-NH1 4Å; E106-R109 PolarHBondContact OE1-NH1 3.01Å; Y107-R109 VanDerWaalsContact C-N 3.26Å; Y107-R109 PolarHBondContact O-N 3.33Å
110	G	98	Very high	98.5	Very high	49 Å²	49	57 Å²	57	51%	0.505	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	29.2	-177.9	0	0	0	0	0	113.4	E106 Y107 R108 E112	E106-G110 PolarHBondContact O-N 2.8Å; Y107-G110 PolarHBondContact O-N 2.74Å; R108-G110 PolarHBondContact O-N 3.38Å; G110-E112 PolarHBondContact O-N 2.95Å
111	N	98.6	Very high	98.5	Very high	53 Å²	53	57 Å²	57	28%	0.283	26%	0.26	S	S	.	.			trans	-63.7	115.5	173.2	-176.7	-49.1	0	0	0	109.7	E106 R113 V114 T115	E106-N111 HydrophobicContact CB-CB 3.86Å; E106-N111 VanDerWaalsContact O-CB 3.25Å; E106-N111 WeakPolarHBondContact O-CB 3.32Å; E106-N111 PolarHBondContact O-N 2.87Å; E106-N111 WeakPolarHBondContact OE2-CB 3.34Å; E106-N111 PolarHBondContact OE2-ND2 3.48Å; N111-R113 VanDerWaalsContact C-N 3.3Å; N111-R113 PolarHBondContact O-N 3.01Å; N111-R113 WeakPolarHBondContact OD1-CB 3.41Å; N111-R113 PolarHBondContact OD1-N 2.99Å; N111-V114 HydrophobicContact CB-CB 4.36Å; N111-V114 PolarHBondContact O-N 3.3Å; N111-V114 PolarHBondContact OD1-N 2.81Å; N111-T115 WeakPolarHBondContact O-CB 3.48Å; N111-T115 PolarHBondContact O-N 3.36Å; N111-T115 PolarHBondContact O-OG1 2.8Å
112	E	98.5	Very high	98.5	Very high	130 Å²	130	54.6 Å²	54.6	61%	0.607	25%	0.249	S	C	*	.	H	α-helix	trans	-62.6	-32.8	-174.4	-66	-173.3	-173.3	0	0	113.8	G110 R116	G110-E112 PolarHBondContact O-N 2.95Å; E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 VanDerWaalsContact O-CG 3.27Å; E112-R116 WeakPolarHBondContact O-CG 3.2Å; E112-R116 PolarHBondContact O-N 3.25Å; E112-R116 IonicContact OE2-CZ 3.67Å; E112-R116 IonicContact OE2-NH2 3.79Å; E112-R116 PolarHBondContact OE2-NH2 2.97Å
113	R	98.3	Very high	98.5	Very high	83 Å²	83	53 Å²	53	31%	0.313	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-50.8	179.2	-176.7	-174.6	-178.3	-173.1	3.6	110.2	N111 L117 E329 E336	N111-R113 VanDerWaalsContact C-N 3.3Å; N111-R113 PolarHBondContact O-N 3.01Å; N111-R113 WeakPolarHBondContact OD1-CB 3.41Å; N111-R113 PolarHBondContact OD1-N 2.99Å; R113-L117 WeakPolarHBondContact O-CB 3.27Å; R113-L117 PolarHBondContact O-N 3.03Å; R113-E329 IonicContact CZ-OE1 3.49Å; R113-E329 IonicContact CZ-OE2 2.77Å; R113-E329 VanDerWaalsContact NH1-CD 3.29Å; R113-E329 IonicContact NH1-OE1 3.49Å; R113-E329 PolarHBondContact NH1-OE1 2.87Å; R113-E329 IonicContact NH1-OE2 3.75Å; R113-E329 PolarHBondContact NH1-OE2 3.37Å; R113-E329 IonicContact NH2-OE1 2.88Å; R113-E329 PolarHBondContact NH2-OE1 2.96Å; R113-E329 IonicContact NH2-OE2 3.01Å; R113-E336 WeakPolarHBondContact CG-OE1 3.1Å; R113-E336 IonicContact CZ-OE1 2.8Å; R113-E336 IonicContact CZ-OE2 2.8Å; R113-E336 IonicContact NE-OE1 2.74Å; R113-E336 PolarHBondContact NE-OE1 3.33Å; R113-E336 IonicContact NE-OE2 2.72Å; R113-E336 IonicContact NH2-OE1 3.89Å; R113-E336 PolarHBondContact NH2-OE1 2.98Å; R113-E336 IonicContact NH2-OE2 2.91Å; R113-E336 PolarHBondContact NH2-OE2 2.76Å
114	V	98.8	Very high	98.6	Very high	2 Å²	2	53 Å²	53	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-68.6	-39.1	179.5	173.4	0	0	0	0	111.5	F102 L103 E106 N111 L117 I118	F102-V114 HydrophobicContact CE1-CG2 4.03Å; F102-V114 HydrophobicContact CZ-CG2 4.33Å; L103-V114 HydrophobicContact CD2-CG1 3.88Å; L103-V114 WeakPolarHBondContact O-CG1 3.47Å; E106-V114 HydrophobicContact CB-CB 3.99Å; E106-V114 HydrophobicContact CB-CG1 4.09Å; E106-V114 HydrophobicContact CB-CG2 3.73Å; E106-V114 HydrophobicContact CG-CG2 4.41Å; N111-V114 HydrophobicContact CB-CB 4.36Å; N111-V114 PolarHBondContact O-N 3.3Å; N111-V114 PolarHBondContact OD1-N 2.81Å; V114-L117 WeakPolarHBondContact O-CB 3.41Å; V114-L117 PolarHBondContact O-N 2.81Å; V114-I118 HydrophobicContact CG1-CD1 3.87Å; V114-I118 HydrophobicContact CG1-CG1 4.48Å; V114-I118 WeakPolarHBondContact O-CG1 3.45Å; V114-I118 PolarHBondContact O-N 2.99Å
115	T	98.6	Very high	98.6	Very high	31 Å²	31	53 Å²	53	19%	0.19	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-50.1	176.8	-56	0	0	0	0	111.2	Y107 N111 L117 I118 H119	Y107-T115 HydrophobicContact CD2-CG2 4.38Å; Y107-T115 HydrophobicContact CE2-CG2 4.01Å; N111-T115 WeakPolarHBondContact O-CB 3.48Å; N111-T115 PolarHBondContact O-N 3.36Å; N111-T115 PolarHBondContact O-OG1 2.8Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 2.77Å; T115-I118 PolarHBondContact O-N 3.36Å; T115-H119 WeakPolarHBondContact O-CB 3.49Å; T115-H119 PolarHBondContact O-CD2 3.18Å; T115-H119 PolarHBondContact O-N 2.93Å
116	R	98.3	Very high	98.6	Very high	144 Å²	144	51.1 Å²	51.1	54%	0.543	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-40.5	176	-70.5	-179.9	-133	163.9	1.4	111.8	E112 I118 H119 D120	E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 VanDerWaalsContact O-CG 3.27Å; E112-R116 WeakPolarHBondContact O-CG 3.2Å; E112-R116 PolarHBondContact O-N 3.25Å; E112-R116 IonicContact OE2-CZ 3.67Å; E112-R116 IonicContact OE2-NH2 3.79Å; E112-R116 PolarHBondContact OE2-NH2 2.97Å; R116-I118 VanDerWaalsContact C-N 3.31Å; R116-I118 PolarHBondContact O-N 3.35Å; R116-H119 PolarHBondContact O-N 3.19Å; R116-D120 VanDerWaalsContact O-CB 3.3Å; R116-D120 WeakPolarHBondContact O-CB 3.3Å; R116-D120 PolarHBondContact O-N 2.76Å
117	L	98.5	Very high	98.6	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-43.4	178.3	-165.9	66.3	0	0	0	112	L103 R113 V114 T115 T121 I123 V332 I335 E336	L103-L117 HydrophobicContact CD2-CD2 4.44Å; R113-L117 WeakPolarHBondContact O-CB 3.27Å; R113-L117 PolarHBondContact O-N 3.03Å; V114-L117 WeakPolarHBondContact O-CB 3.41Å; V114-L117 PolarHBondContact O-N 2.81Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 2.77Å; L117-T121 WeakPolarHBondContact O-CB 3.42Å; L117-T121 PolarHBondContact O-N 3.04Å; L117-T121 PolarHBondContact O-OG1 2.79Å; L117-I123 HydrophobicContact CD2-CD1 4.33Å; L117-I123 HydrophobicContact CG-CD1 4.07Å; L117-V332 HydrophobicContact CD2-CG1 4.11Å; L117-I335 HydrophobicContact CD1-CB 4.27Å; L117-I335 HydrophobicContact CD1-CG2 3.72Å; L117-I335 HydrophobicContact CD2-CB 4.23Å; L117-I335 HydrophobicContact CD2-CD1 4.26Å; L117-I335 HydrophobicContact CD2-CG2 4.08Å; L117-I335 HydrophobicContact CG-CG2 4.06Å; L117-E336 HydrophobicContact CD1-CG 3.74Å
118	I	98.8	Very high	98.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-73.7	-32.4	178	-68.1	171.6	0	0	0	112.3	V45 F65 S66 D67 L103 Y107 V114 T115 R116	V45-I118 HydrophobicContact CB-CG2 4.13Å; V45-I118 HydrophobicContact CG1-CG2 4.47Å; F65-I118 HydrophobicContact CB-CG1 4.38Å; F65-I118 HydrophobicContact CD1-CD1 4.04Å; S66-I118 WeakPolarHBondContact CA-O 3.3Å; D67-I118 PolarHBondContact N-O 2.88Å; L103-I118 HydrophobicContact CB-CD1 4.45Å; Y107-I118 HydrophobicContact CD2-CB 4.48Å; Y107-I118 HydrophobicContact CD2-CD1 3.84Å; Y107-I118 HydrophobicContact CE2-CG2 4.47Å; Y107-I118 HydrophobicContact CG-CD1 4.13Å; V114-I118 HydrophobicContact CG1-CD1 3.87Å; V114-I118 HydrophobicContact CG1-CG1 4.48Å; V114-I118 WeakPolarHBondContact O-CG1 3.45Å; V114-I118 PolarHBondContact O-N 2.99Å; T115-I118 PolarHBondContact O-N 3.36Å; R116-I118 VanDerWaalsContact C-N 3.31Å; R116-I118 PolarHBondContact O-N 3.35Å
119	H	98.6	Very high	98.7	Very high	71 Å²	71	39.5 Å²	39.5	33%	0.329	19%	0.188	S	C	.	.	H	α-helix	trans	-79.6	-29	-179.6	-72.1	-164	0	0	0	113.5	Y107 T115 R116	Y107-H119 AromaticContact CE2-NE2 3.74Å; Y107-H119 PolarHBondContact OH-NE2 2.78Å; T115-H119 WeakPolarHBondContact O-CB 3.49Å; T115-H119 PolarHBondContact O-CD2 3.18Å; T115-H119 PolarHBondContact O-N 2.93Å; R116-H119 PolarHBondContact O-N 3.19Å
120	D	98.3	Very high	98.7	Very high	88 Å²	88	31.7 Å²	31.7	47%	0.471	16%	0.159	S	C	.	.	H	α-helix	trans	-102.1	-4.8	-176.7	-63	-36	0	0	0	111.9	P77 R116 H339	P77-D120 WeakPolarHBondContact CD-O 3.27Å; R116-D120 VanDerWaalsContact O-CB 3.3Å; R116-D120 WeakPolarHBondContact O-CB 3.3Å; R116-D120 PolarHBondContact O-N 2.76Å; D120-H339 PolarHBondContact O-CE1 2.99Å
121	T	98.9	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.135	C	C	.	.			trans	-141.9	136.4	-173.8	-32.3	0	0	0	0	111.2	P77 F79 L117 I123 I335 I338 H339	P77-T121 HydrophobicContact CG-CG2 4.46Å; F79-T121 HydrophobicContact CB-CG2 3.94Å; L117-T121 WeakPolarHBondContact O-CB 3.42Å; L117-T121 PolarHBondContact O-N 3.04Å; L117-T121 PolarHBondContact O-OG1 2.79Å; T121-I123 HydrophobicContact CG2-CG1 3.92Å; T121-I335 HydrophobicContact CG2-CG2 4.4Å; T121-I338 HydrophobicContact CG2-CD1 4.32Å; T121-I338 HydrophobicContact CG2-CG2 3.95Å; T121-H339 PolarHBondContact OG1-NE2 2.75Å
122	R	98.9	Very high	98.7	Very high	5 Å²	5	27 Å²	27	2%	0.019	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107	168.2	-167.5	163.3	177.4	-145.8	11.5	110.6	E64 G70 I71 E76 P77 E78 F79	E64-R122 HydrophobicContact CG-CG 4.38Å; E64-R122 IonicContact OE1-CZ 2.69Å; E64-R122 IonicContact OE1-NE 3.28Å; E64-R122 PolarHBondContact OE1-NE 3.22Å; E64-R122 IonicContact OE1-NH2 3.48Å; E64-R122 PolarHBondContact OE1-NH2 2.9Å; E64-R122 IonicContact OE2-NH2 3.72Å; G70-R122 VanDerWaalsContact CA-NH2 3.26Å; G70-R122 PolarHBondContact O-NH2 3.47Å; I71-R122 VanDerWaalsContact C-CZ 3.48Å; I71-R122 VanDerWaalsContact N-NH2 3.18Å; I71-R122 WeakPolarHBondContact O-CD 3.45Å; I71-R122 PolarHBondContact O-NE 2.81Å; I71-R122 PolarHBondContact O-NH1 3.28Å; E76-R122 HydrophobicContact CG-CB 4.48Å; P77-R122 PolarHBondContact O-N 2.8Å; P77-R122 VanDerWaalsContact O-N 3.11Å; E78-R122 WeakPolarHBondContact OE1-CD 3.45Å; E78-R122 IonicContact OE1-CZ 3.31Å; E78-R122 IonicContact OE1-NE 3.95Å; E78-R122 IonicContact OE1-NH1 2.79Å; E78-R122 PolarHBondContact OE1-NH1 3.12Å; E78-R122 VanDerWaalsContact OE2-CB 3.26Å; E78-R122 WeakPolarHBondContact OE2-CB 3.17Å; E78-R122 VanDerWaalsContact OE2-CD 3.27Å; E78-R122 WeakPolarHBondContact OE2-CD 3.24Å; E78-R122 WeakPolarHBondContact OE2-CG 3.26Å; E78-R122 IonicContact OE2-NE 2.83Å; E78-R122 IonicContact OE2-NH1 3.73Å; F79-R122 PolarHBondContact N-O 2.92Å
123	I	98.9	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.4	-168.1	-53.3	168.6	0	0	0	109.2	E64 F65 F79 L117 T121 I125 I335	E64-I123 CarbonylContact C-O 3.36Å; E64-I123 VanDerWaalsContact CA-O 3.29Å; E64-I123 WeakPolarHBondContact CA-O 3.46Å; F65-I123 HydrophobicContact CB-CB 4.25Å; F65-I123 PolarHBondContact N-O 3.49Å; F65-I123 PolarHBondContact O-N 3.35Å; F79-I123 HydrophobicContact CD1-CG2 3.92Å; L117-I123 HydrophobicContact CD2-CD1 4.33Å; L117-I123 HydrophobicContact CG-CD1 4.07Å; T121-I123 HydrophobicContact CG2-CG1 3.92Å; I123-I125 HydrophobicContact CG2-CD1 4.31Å; I123-I125 HydrophobicContact CG2-CG1 4.05Å; I123-I335 HydrophobicContact CD1-CG2 4.13Å; I123-I335 HydrophobicContact CG1-CG2 4.22Å; I123-I335 HydrophobicContact CG2-CD1 4.44Å
124	H	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.1	177.6	-63.1	-101.6	0	0	0	111.9	Y49 V62 E64 E78 F79 K80 Y81 W203 Y207 F209	Y49-H124 AromaticContact CE1-ND1 3.78Å; Y49-H124 AromaticContact CZ-ND1 3.7Å; Y49-H124 PolarHBondContact OH-ND1 3.39Å; V62-H124 HydrophobicContact CG1-CB 3.88Å; E64-H124 IonicContact OE2-CE1 3.62Å; E78-H124 IonicContact OE2-CD2 3.2Å; E78-H124 IonicContact OE2-NE2 3.57Å; E78-H124 PolarHBondContact OE2-NE2 3.21Å; F79-H124 PolarHBondContact O-N 3Å; K80-H124 CarbonylContact C-O 3.56Å; K80-H124 WeakPolarHBondContact CA-O 3.2Å; K80-H124 HydrophobicContact CB-CB 4.15Å; Y81-H124 PolarHBondContact N-O 3.4Å; H124-W203 HydrophobicContact CB-CH2 4.43Å; H124-W203 HydrophobicContact CB-CZ2 3.73Å; H124-Y207 AromaticContact CE1-CD1 3.9Å; H124-Y207 AromaticContact CE1-CE1 3.51Å; H124-Y207 AromaticContact CE1-CZ 3.89Å; H124-Y207 AromaticContact NE2-CD1 3.87Å; H124-Y207 AromaticContact NE2-CE1 3.88Å; H124-F209 HydrophobicContact CB-CE1 4.06Å; H124-F209 HydrophobicContact CB-CZ 4.27Å; H124-F209 AromaticContact CD2-CE1 3.56Å; H124-F209 AromaticContact CG-CE1 3.87Å
125	I	98.9	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.7	-176.3	-60.2	177.5	0	0	0	109.9	V62 L63 F65 L96 L99 L103 I123 P127	V62-I125 CarbonylContact C-O 3.59Å; V62-I125 VanDerWaalsContact CA-O 3.32Å; V62-I125 WeakPolarHBondContact CA-O 3.28Å; L63-I125 PolarHBondContact N-O 3.25Å; L63-I125 PolarHBondContact O-N 3.26Å; F65-I125 HydrophobicContact CD2-CD1 4.29Å; F65-I125 HydrophobicContact CE2-CD1 4.15Å; L96-I125 HydrophobicContact CB-CG2 3.68Å; L96-I125 HydrophobicContact CD1-CG2 4.22Å; L96-I125 HydrophobicContact CD2-CG2 4.06Å; L96-I125 HydrophobicContact CG-CG2 4.17Å; L99-I125 HydrophobicContact CD2-CD1 4.01Å; L99-I125 HydrophobicContact CG-CD1 4.17Å; L103-I125 HydrophobicContact CD1-CD1 4.01Å; I123-I125 HydrophobicContact CG2-CD1 4.31Å; I123-I125 HydrophobicContact CG2-CG1 4.05Å; I125-P127 WeakPolarHBondContact O-CD 3.28Å
126	M	98.9	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	100.9	172.3	-177.3	-174.3	-65.2	0	0	109.9	I51 V62 Y81 V82 G83 L96 S128 M129 V200 W203	I51-M126 HydrophobicContact CD1-CE 3.19Å; I51-M126 HydrophobicContact CD1-SD 4.47Å; I51-M126 HydrophobicContact CG1-CE 3.86Å; V62-M126 HydrophobicContact CG2-CB 4.1Å; V62-M126 HydrophobicContact CG2-CE 3.64Å; V62-M126 HydrophobicContact CG2-CG 4.35Å; Y81-M126 PolarHBondContact O-N 2.83Å; V82-M126 HydrophobicContact CG1-SD 3.94Å; V82-M126 HydrophobicContact CG2-CB 4.48Å; G83-M126 PolarHBondContact N-O 3.04Å; L96-M126 WeakPolarHBondContact CD1-O 3.23Å; M126-S128 VanDerWaalsContact C-N 3.31Å; M126-S128 PolarHBondContact O-N 2.99Å; M126-M129 HydrophobicContact SD-CB 3.87Å; M126-M129 HydrophobicContact SD-CG 4.39Å; M126-V200 HydrophobicContact CE-CG2 4.28Å; M126-V200 HydrophobicContact SD-CG2 4.49Å; M126-W203 HydrophobicContact CE-CD2 4.38Å; M126-W203 HydrophobicContact CE-CE3 3.62Å; M126-W203 HydrophobicContact CE-CH2 4.12Å; M126-W203 HydrophobicContact CE-CZ3 3.46Å; M126-W203 VanDerWaalsContact CE-CZ3 3.46Å
127	P	98.9	Very high	98.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-64.9	-32.1	-178.3	-22.6	32.9	0	0	0	113.9	M31 L35 G83 R93 L96 L97 I125	M31-P127 HydrophobicContact CG-CB 4.41Å; M31-P127 HydrophobicContact SD-CB 4.03Å; L35-P127 HydrophobicContact CD1-CG 4.23Å; L35-P127 HydrophobicContact CD2-CG 3.94Å; G83-P127 CarbonylContact C-O 3.59Å; G83-P127 WeakPolarHBondContact CA-O 3.48Å; R93-P127 VanDerWaalsContact CA-O 3.31Å; R93-P127 WeakPolarHBondContact CA-O 3.42Å; R93-P127 WeakPolarHBondContact CB-O 3.49Å; R93-P127 HydrophobicContact CG-CB 4.38Å; L96-P127 HydrophobicContact CB-CB 4.37Å; L97-P127 HydrophobicContact CD2-CB 4.11Å; L97-P127 HydrophobicContact CD2-CG 3.8Å; L97-P127 HydrophobicContact CG-CB 4.26Å; L97-P127 HydrophobicContact CG-CG 4.41Å; I125-P127 WeakPolarHBondContact O-CD 3.28Å
128	S	98.9	Very high	98.4	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.021	7%	0.068	C	C	.	.			trans	-146	110.9	-176.1	-173.3	0	0	0	0	112.8	G83 N84 R93 M126 P131	G83-S128 WeakPolarHBondContact O-CA 3.32Å; N84-S128 PolarHBondContact OD1-OG 3.46Å; R93-S128 PolarHBondContact NH1-OG 3.31Å; R93-S128 VanDerWaalsContact NH1-OG 3.15Å; M126-S128 VanDerWaalsContact C-N 3.31Å; M126-S128 PolarHBondContact O-N 2.99Å; S128-P131 WeakPolarHBondContact OG-CA 3.36Å
129	M	98.9	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-79.2	-27	169.2	-179	-173.4	173.7	0	0	112.1	L60 V82 G83 M85 M126 P131 L159 F163 E196 V200 M292	L60-M129 WeakPolarHBondContact CD2-O 3.36Å; V82-M129 HydrophobicContact CG1-CB 3.92Å; V82-M129 HydrophobicContact CG1-SD 4.37Å; G83-M129 PolarHBondContact O-N 3.14Å; M85-M129 HydrophobicContact CB-CB 4.02Å; M85-M129 HydrophobicContact CB-CG 4.26Å; M85-M129 HydrophobicContact CB-SD 3.61Å; M85-M129 HydrophobicContact CE-CE 4.42Å; M85-M129 HydrophobicContact CE-SD 4Å; M126-M129 HydrophobicContact SD-CB 3.87Å; M126-M129 HydrophobicContact SD-CG 4.39Å; M129-P131 VanDerWaalsContact C-CD 3.44Å; M129-P131 WeakPolarHBondContact O-CD 3.43Å; M129-L159 HydrophobicContact CE-CB 4.32Å; M129-L159 HydrophobicContact CE-CD1 4.17Å; M129-L159 HydrophobicContact CG-CD1 4.36Å; M129-F163 HydrophobicContact CE-CE2 3.92Å; M129-F163 HydrophobicContact CE-CZ 3.84Å; M129-E196 HydrophobicContact CE-CB 4.48Å; M129-E196 WeakPolarHBondContact O-CG 3.45Å; M129-V200 HydrophobicContact CE-CB 4.2Å; M129-V200 HydrophobicContact CE-CG2 3.78Å; M129-V200 HydrophobicContact CG-CG2 4.04Å; M129-V200 HydrophobicContact SD-CG2 4.03Å; M129-M292 HydrophobicContact CE-SD 4.42Å; M129-M292 HydrophobicContact SD-SD 3.92Å
130	N	98.9	Very high	97.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.			trans	-122.1	69.5	178.7	-174	7.2	0	0	0	112.1	N84 M85 D132 G133 Y134 R151 N152 N153 L159	N84-N130 WeakPolarHBondContact O-CB 3.4Å; N84-N130 PolarHBondContact O-N 3.28Å; M85-N130 WeakPolarHBondContact O-CB 3.43Å; M85-N130 PolarHBondContact O-ND2 3.49Å; N130-D132 PolarHBondContact O-N 3.07Å; N130-G133 PolarHBondContact O-N 3.06Å; N130-G133 PolarHBondContact OD1-N 2.9Å; N130-Y134 PolarHBondContact O-N 3.49Å; N130-Y134 VanDerWaalsContact O-N 3.11Å; N130-R151 PolarHBondContact ND2-O 3.47Å; N130-N152 VanDerWaalsContact ND2-C 3.27Å; N130-N152 PolarHBondContact ND2-O 3.4Å; N130-N153 PolarHBondContact ND2-N 2.85Å; N130-L159 HydrophobicContact CB-CD1 3.82Å
131	P	98.9	Very high	96.3	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-25.9	-179	28.7	-36.5	0	0	0	112.7	Y28 R58 L60 S128 M129 E135	Y28-P131 HydrophobicContact CD2-CB 3.81Å; Y28-P131 HydrophobicContact CE2-CB 4.09Å; R58-P131 HydrophobicContact CB-CB 4.24Å; R58-P131 HydrophobicContact CB-CG 3.9Å; L60-P131 VanDerWaalsContact CD2-CD 3.49Å; L60-P131 HydrophobicContact CD2-CG 3.86Å; S128-P131 WeakPolarHBondContact OG-CA 3.36Å; M129-P131 VanDerWaalsContact C-CD 3.44Å; M129-P131 WeakPolarHBondContact O-CD 3.43Å; P131-E135 WeakPolarHBondContact O-CG 3.27Å; P131-E135 PolarHBondContact O-N 2.58Å
132	D	98.9	Very high	95.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-70.8	-47.6	178.1	-62.6	-4.7	0	0	0	111.3	S54 V55 E56 R58 N130 Y134 E135 V136 A154	S54-D132 VanDerWaalsContact CB-CG 3.44Å; S54-D132 VanDerWaalsContact CB-OD1 3.28Å; S54-D132 WeakPolarHBondContact CB-OD1 3.46Å; S54-D132 WeakPolarHBondContact CB-OD2 3.3Å; S54-D132 PolarHBondContact OG-OD1 3.39Å; S54-D132 PolarHBondContact OG-OD2 3.29Å; V55-D132 PolarHBondContact N-OD2 3.14Å; E56-D132 WeakPolarHBondContact CB-OD2 3.32Å; E56-D132 HydrophobicContact CG-CB 4.43Å; E56-D132 PolarHBondContact N-OD2 2.86Å; R58-D132 IonicContact CZ-OD1 3.06Å; R58-D132 IonicContact NH1-OD1 2.61Å; R58-D132 PolarHBondContact NH1-OD1 2.94Å; N130-D132 PolarHBondContact O-N 3.07Å; D132-Y134 VanDerWaalsContact C-N 3.25Å; D132-Y134 PolarHBondContact O-N 3.38Å; D132-E135 PolarHBondContact O-N 3.13Å; D132-V136 PolarHBondContact O-N 2.82Å; D132-A154 HydrophobicContact CB-CB 4.03Å
133	G	98.6	Very high	93.8	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-37.6	173.9	0	0	0	0	0	112	N130 V136 A137 G150	N130-G133 PolarHBondContact O-N 3.06Å; N130-G133 PolarHBondContact OD1-N 2.9Å; G133-V136 PolarHBondContact O-N 3.35Å; G133-A137 PolarHBondContact O-N 3.15Å; G133-G150 CarbonylContact C-O 3.45Å; G133-G150 WeakPolarHBondContact CA-O 3.48Å; G133-G150 VanDerWaalsContact O-CA 3.25Å; G133-G150 WeakPolarHBondContact O-CA 3.41Å
134	Y	98.6	Very high	92.4	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-47.2	175.4	176.5	-83.5	0	0	0	111.8	H26 R27 G87 V90 N130 D132 V136 A137 A138	H26-Y134 PolarHBondContact O-OH 3.32Å; H26-Y134 VanDerWaalsContact O-OH 3.08Å; R27-Y134 HydrophobicContact CG-CE1 4.39Å; G87-Y134 WeakPolarHBondContact O-CA 3.42Å; V90-Y134 HydrophobicContact CB-CE2 4.44Å; V90-Y134 HydrophobicContact CG1-CE2 3.88Å; V90-Y134 HydrophobicContact CG2-CD2 3.98Å; V90-Y134 HydrophobicContact CG2-CE2 3.81Å; N130-Y134 PolarHBondContact O-N 3.49Å; N130-Y134 VanDerWaalsContact O-N 3.11Å; D132-Y134 VanDerWaalsContact C-N 3.25Å; D132-Y134 PolarHBondContact O-N 3.38Å; Y134-V136 PolarHBondContact O-N 3.32Å; Y134-A137 WeakPolarHBondContact O-CB 3.24Å; Y134-A137 PolarHBondContact O-N 2.91Å; Y134-A137 VanDerWaalsContact O-N 3.09Å; Y134-A138 HydrophobicContact CD1-CB 4.25Å; Y134-A138 HydrophobicContact CE1-CB 3.7Å; Y134-A138 WeakPolarHBondContact O-CB 3.31Å; Y134-A138 PolarHBondContact O-N 2.79Å
135	E	98.4	Very high	91.2	Very high	19 Å²	19	31.5 Å²	31.5	9%	0.089	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-31.3	179.3	-70.8	-62.1	138.8	0	0	112.4	Y28 P131 D132 K139	Y28-E135 WeakPolarHBondContact CB-OE1 3.13Å; Y28-E135 PolarHBondContact N-OE1 2.73Å; P131-E135 WeakPolarHBondContact O-CG 3.27Å; P131-E135 PolarHBondContact O-N 2.58Å; D132-E135 PolarHBondContact O-N 3.13Å; E135-K139 WeakPolarHBondContact O-CD 3.5Å; E135-K139 WeakPolarHBondContact O-CG 3.37Å; E135-K139 PolarHBondContact O-N 2.97Å
136	V	97.4	Very high	90.1	Very high	63 Å²	63	33.3 Å²	33.3	38%	0.382	20%	0.195	S	C	.	.	H	α-helix	trans	-68.1	-44.2	172.4	177.2	0	0	0	0	111	D132 G133 Y134 T149	D132-V136 PolarHBondContact O-N 2.82Å; G133-V136 PolarHBondContact O-N 3.35Å; Y134-V136 PolarHBondContact O-N 3.32Å; V136-T149 HydrophobicContact CG1-CG2 3.94Å
137	A	96.6	Very high	89.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-52.6	176.2	0	0	0	0	0	112.1	N88 G133 Y134 K139 Q140 G141 I145 F314	N88-A137 HydrophobicContact CB-CB 3.84Å; G133-A137 PolarHBondContact O-N 3.15Å; Y134-A137 WeakPolarHBondContact O-CB 3.24Å; Y134-A137 PolarHBondContact O-N 2.91Å; Y134-A137 VanDerWaalsContact O-N 3.09Å; A137-K139 PolarHBondContact O-N 2.64Å; A137-Q140 PolarHBondContact O-N 3.23Å; A137-G141 PolarHBondContact O-N 3.13Å; A137-I145 HydrophobicContact CB-CD1 3.33Å; A137-F314 HydrophobicContact CB-CD2 4.23Å; A137-F314 HydrophobicContact CB-CE2 4.05Å
138	A	94.9	Very high	89.2	Confident	11 Å²	11	46.4 Å²	46.4	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-21.3	-175.7	0	0	0	0	0	113.8	R27 Y134 Q140 G141 F314	R27-A138 PolarHBondContact NH2-O 2.99Å; Y134-A138 HydrophobicContact CD1-CB 4.25Å; Y134-A138 HydrophobicContact CE1-CB 3.7Å; Y134-A138 WeakPolarHBondContact O-CB 3.31Å; Y134-A138 PolarHBondContact O-N 2.79Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-G141 PolarHBondContact O-N 3.14Å; A138-F314 HydrophobicContact CB-CE2 4.29Å; A138-F314 HydrophobicContact CB-CZ 4.22Å
139	K	92	Very high	89.1	Confident	143 Å²	143	48 Å²	48	62%	0.622	26%	0.263	S	S	*	.	H	α-helix	trans	-69.3	-29.1	171.5	-80.4	169.9	-172.6	172.4	0	113.2	E135 A137	E135-K139 WeakPolarHBondContact O-CD 3.5Å; E135-K139 WeakPolarHBondContact O-CG 3.37Å; E135-K139 PolarHBondContact O-N 2.97Å; A137-K139 PolarHBondContact O-N 2.64Å
140	Q	83.8	Confident	88.9	Confident	89 Å²	89	48.5 Å²	48.5	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-83.6	-23.6	175.4	-66.1	-173.2	1.4	0	0	112	A137 A138 I145 T149	A137-Q140 PolarHBondContact O-N 3.23Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-I145 HydrophobicContact CB-CB 4.48Å; Q140-T149 HydrophobicContact CG-CG2 4.12Å; Q140-T149 VanDerWaalsContact OE1-CB 3.31Å; Q140-T149 PolarHBondContact OE1-OG1 3.48Å
141	G	75.4	Confident	88.9	Confident	18 Å²	18	50 Å²	50	19%	0.186	27%	0.274	C	S	.	.			trans	76.8	166.1	-178.6	0	0	0	0	0	113.2	A137 A138 D143 S144 I145	A137-G141 PolarHBondContact O-N 3.13Å; A138-G141 PolarHBondContact O-N 3.14Å; G141-D143 VanDerWaalsContact C-N 3.29Å; G141-D143 PolarHBondContact O-N 3.44Å; G141-S144 PolarHBondContact O-N 3.2Å; G141-I145 WeakPolarHBondContact O-CB 3.46Å; G141-I145 PolarHBondContact O-N 3.41Å
142	P	74.4	Confident	88.9	Confident	40 Å²	40	52.6 Å²	52.6	26%	0.26	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.5	-174.7	25	-33.8	0	0	0	113.1	F314	P142-F314 HydrophobicContact CB-CD1 3.92Å; P142-F314 HydrophobicContact CB-CE1 4.42Å
143	D	71.1	Confident	88.9	Confident	152 Å²	152	52.9 Å²	52.9	81%	0.813	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.5	-174.5	-62.7	-36.8	0	0	0	114.6	G141	G141-D143 VanDerWaalsContact C-N 3.29Å; G141-D143 PolarHBondContact O-N 3.44Å
144	S	69.4	Low	88.9	Confident	91 Å²	91	54.7 Å²	54.7	64%	0.636	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	1.1	-171.1	-61.3	0	0	0	0	113.5	G141 G146	G141-S144 PolarHBondContact O-N 3.2Å; S144-G146 PolarHBondContact O-N 2.89Å
145	I	74	Confident	88.9	Confident	27 Å²	27	59.3 Å²	59.3	14%	0.138	33%	0.329	C	S	.	.			trans	-74.3	114.4	178.6	-162.7	174	0	0	0	110.3	N88 A137 Q140 G141 T149 F314	N88-I145 HydrophobicContact CB-CD1 3.55Å; A137-I145 HydrophobicContact CB-CD1 3.33Å; Q140-I145 HydrophobicContact CB-CB 4.48Å; G141-I145 WeakPolarHBondContact O-CB 3.46Å; G141-I145 PolarHBondContact O-N 3.41Å; I145-T149 HydrophobicContact CG1-CG2 4.4Å; I145-F314 HydrophobicContact CD1-CD2 3.67Å; I145-F314 HydrophobicContact CD1-CE2 4.39Å; I145-F314 HydrophobicContact CG2-CB 3.8Å; I145-F314 HydrophobicContact CG2-CD2 4.35Å; I145-F314 HydrophobicContact CG2-CG 4.37Å
146	G	75.9	Confident	88.9	Confident	39 Å²	39	60.6 Å²	60.6	40%	0.402	35%	0.347	S	S	.	.			trans	-63.8	169	169.2	0	0	0	0	0	111.5	S144 L148	S144-G146 PolarHBondContact O-N 2.89Å; G146-L148 PolarHBondContact O-N 3.2Å
147	Y	85.3	Confident	89	Confident	155 Å²	155	59.6 Å²	59.6	61%	0.608	34%	0.341	S	S	*	.	S	Bend	trans	-59.6	-23.4	-176.2	-166.7	-92.3	0	0	0	114.9	N88 K313	N88-Y147 PolarHBondContact ND2-O 3.47Å; Y147-K313 HydrophobicContact CE2-CD 4.34Å; Y147-K313 VanDerWaalsContact CE2-CE 3.47Å; Y147-K313 WeakPolarHBondContact OH-CE 3.38Å
148	L	93.5	Very high	89.1	Confident	120 Å²	120	60.8 Å²	60.8	63%	0.628	35%	0.347	S	S	*	.	S	Bend	trans	-117.3	-17	-170.5	-62.7	176.7	0	0	0	115.1	G146 G150 R151	G146-L148 PolarHBondContact O-N 3.2Å; L148-G150 PolarHBondContact O-N 3.02Å; L148-R151 VanDerWaalsContact O-CB 3.3Å; L148-R151 WeakPolarHBondContact O-CB 3.43Å; L148-R151 PolarHBondContact O-N 2.79Å; L148-R151 VanDerWaalsContact O-N 3.13Å
149	T	95.2	Very high	89.2	Confident	36 Å²	36	60.2 Å²	60.2	22%	0.221	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	127.2	-179.3	-61.7	0	0	0	0	109.2	N88 V136 Q140 I145 R151	N88-T149 WeakPolarHBondContact CB-O 3.41Å; N88-T149 PolarHBondContact ND2-O 3.09Å; V136-T149 HydrophobicContact CG1-CG2 3.94Å; Q140-T149 HydrophobicContact CG-CG2 4.12Å; Q140-T149 VanDerWaalsContact OE1-CB 3.31Å; Q140-T149 PolarHBondContact OE1-OG1 3.48Å; I145-T149 HydrophobicContact CG1-CG2 4.4Å; T149-R151 PolarHBondContact O-N 3.01Å
150	G	96.6	Very high	89.6	Confident	10 Å²	10	53.8 Å²	53.8	10%	0.103	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	5.1	175.2	0	0	0	0	0	114.4	G87 N88 G133 L148	G87-G150 CarbonylContact C-O 3.37Å; G87-G150 WeakPolarHBondContact CA-O 3.46Å; G87-G150 PolarHBondContact N-O 3.45Å; N88-G150 PolarHBondContact N-O 3.12Å; G133-G150 CarbonylContact C-O 3.45Å; G133-G150 WeakPolarHBondContact CA-O 3.48Å; G133-G150 VanDerWaalsContact O-CA 3.25Å; G133-G150 WeakPolarHBondContact O-CA 3.41Å; L148-G150 PolarHBondContact O-N 3.02Å
151	R	98.3	Very high	90.2	Very high	33 Å²	33	53.3 Å²	53.3	13%	0.125	31%	0.309	C	S	.	.			trans	-63	-52.4	174.4	-179.9	-174.3	170.6	79.2	-0.8	111.7	H86 G87 N88 E89 N130 L148 T149 D158	H86-R151 VanDerWaalsContact CA-O 3.3Å; H86-R151 WeakPolarHBondContact CA-O 3.2Å; H86-R151 HydrophobicContact CB-CG 3.96Å; H86-R151 PolarHBondContact CE1-NH1 2.85Å; H86-R151 PolarHBondContact CE1-NH2 3.24Å; H86-R151 PolarHBondContact ND1-NH1 2.82Å; H86-R151 VanDerWaalsContact ND1-NH1 3.1Å; H86-R151 VanDerWaalsContact NE2-CZ 3.26Å; H86-R151 PolarHBondContact NE2-NH2 3.12Å; G87-R151 PolarHBondContact N-O 2.78Å; N88-R151 VanDerWaalsContact OD1-CA 3.3Å; N88-R151 WeakPolarHBondContact OD1-CA 3.4Å; N88-R151 WeakPolarHBondContact OD1-CB 3.41Å; E89-R151 IonicContact OE1-NH1 2.78Å; E89-R151 PolarHBondContact OE1-NH1 2.69Å; N130-R151 PolarHBondContact ND2-O 3.47Å; L148-R151 VanDerWaalsContact O-CB 3.3Å; L148-R151 WeakPolarHBondContact O-CB 3.43Å; L148-R151 PolarHBondContact O-N 2.79Å; L148-R151 VanDerWaalsContact O-N 3.13Å; T149-R151 PolarHBondContact O-N 3.01Å; R151-D158 IonicContact CZ-OD2 2.67Å; R151-D158 VanDerWaalsContact CZ-OD2 3.31Å; R151-D158 IonicContact NE-OD2 2.77Å; R151-D158 PolarHBondContact NE-OD2 3.12Å; R151-D158 IonicContact NH2-OD1 3.56Å; R151-D158 IonicContact NH2-OD2 3.57Å; R151-D158 PolarHBondContact NH2-OD2 2.85Å
152	N	98.7	Very high	91.4	Very high	54 Å²	54	53 Å²	53	29%	0.289	30%	0.304	S	S	.	.	S	Bend	trans	-78.5	166.7	-176.5	-65	-0.5	0	0	0	110.9	N130 G156 V157	N130-N152 VanDerWaalsContact ND2-C 3.27Å; N130-N152 PolarHBondContact ND2-O 3.4Å; N152-G156 PolarHBondContact ND2-O 2.89Å; N152-V157 CarbonylContact C-O 3.48Å; N152-V157 WeakPolarHBondContact CA-O 3.38Å; N152-V157 VanDerWaalsContact CB-O 3.3Å; N152-V157 WeakPolarHBondContact CB-O 3.47Å
153	N	98.8	Very high	92.5	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.037	29%	0.292	C	S	.	.			trans	-72.2	-177.5	170.7	81.3	-18.3	0	0	0	111.4	N130 N155 G156 V157 L159 E194 E196	N130-N153 PolarHBondContact ND2-N 2.85Å; N153-N155 PolarHBondContact O-N 3.01Å; N153-N155 PolarHBondContact OD1-N 3.37Å; N153-G156 PolarHBondContact O-N 2.79Å; N153-G156 PolarHBondContact OD1-N 3.45Å; N153-V157 PolarHBondContact N-O 2.84Å; N153-V157 WeakPolarHBondContact OD1-CB 3.45Å; N153-V157 PolarHBondContact OD1-N 2.85Å; N153-V157 PolarHBondContact OD1-O 3.14Å; N153-L159 HydrophobicContact CB-CD1 4.39Å; N153-L159 HydrophobicContact CB-CD2 3.97Å; N153-L159 HydrophobicContact CB-CG 4.17Å; N153-E194 WeakPolarHBondContact ND2-CG 3.48Å; N153-E194 PolarHBondContact ND2-OE2 3.01Å; N153-E196 PolarHBondContact ND2-OE2 2.83Å
154	A	98.6	Very high	93.8	Very high	40 Å²	40	44.4 Å²	44.4	33%	0.331	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.7	-175.9	0	0	0	0	0	114.3	V55 E56 D132 G156	V55-A154 HydrophobicContact CB-CB 3.78Å; V55-A154 HydrophobicContact CG1-CB 3.83Å; V55-A154 HydrophobicContact CG2-CB 4.41Å; E56-A154 HydrophobicContact CG-CB 3.84Å; D132-A154 HydrophobicContact CB-CB 4.03Å; A154-G156 PolarHBondContact O-N 3.01Å
155	N	98.6	Very high	94.9	Very high	99 Å²	99	41.5 Å²	41.5	53%	0.529	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	2.6	173.5	-71.6	-29.4	0	0	0	113.2	V55 N153 V157 E194	V55-N155 WeakPolarHBondContact CG2-ND2 3.47Å; N153-N155 PolarHBondContact O-N 3.01Å; N153-N155 PolarHBondContact OD1-N 3.37Å; N155-V157 VanDerWaalsContact C-N 3.33Å; N155-V157 HydrophobicContact CB-CG2 4.38Å; N155-E194 WeakPolarHBondContact CB-OE2 3.43Å; N155-E194 PolarHBondContact ND2-OE2 3.36Å
156	G	98.3	Very high	95.9	Very high	46 Å²	46	40.2 Å²	40.2	47%	0.474	23%	0.227	S	C	.	.	S	Bend	trans	75.8	19.8	-178.6	0	0	0	0	0	113.7	N152 N153 A154	N152-G156 PolarHBondContact ND2-O 2.89Å; N153-G156 PolarHBondContact O-N 2.79Å; N153-G156 PolarHBondContact OD1-N 3.45Å; A154-G156 PolarHBondContact O-N 3.01Å
157	V	98.8	Very high	96.7	Very high	41 Å²	41	38.5 Å²	38.5	25%	0.248	21%	0.209	C	C	.	.			trans	-95.2	133.5	177.7	178.8	0	0	0	0	111	N152 N153 N155 L159 N162 E194	N152-V157 CarbonylContact C-O 3.48Å; N152-V157 WeakPolarHBondContact CA-O 3.38Å; N152-V157 VanDerWaalsContact CB-O 3.3Å; N152-V157 WeakPolarHBondContact CB-O 3.47Å; N153-V157 PolarHBondContact N-O 2.84Å; N153-V157 WeakPolarHBondContact OD1-CB 3.45Å; N153-V157 PolarHBondContact OD1-N 2.85Å; N153-V157 PolarHBondContact OD1-O 3.14Å; N155-V157 VanDerWaalsContact C-N 3.33Å; N155-V157 HydrophobicContact CB-CG2 4.38Å; V157-L159 PolarHBondContact O-N 2.81Å; V157-N162 HydrophobicContact CG1-CB 4.11Å; V157-E194 HydrophobicContact CB-CG 3.73Å; V157-E194 HydrophobicContact CG1-CG 3.72Å; V157-E194 HydrophobicContact CG2-CG 4.05Å
158	D	98.7	Very high	96.7	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.134	19%	0.19	C	C	.	.			trans	-74.4	110.5	169.6	-175.2	-38.7	0	0	0	108.7	H86 R151 N160 R161 N162	H86-D158 IonicContact CD2-OD1 2.81Å; H86-D158 IonicContact NE2-OD1 3.96Å; H86-D158 PolarHBondContact NE2-OD1 2.97Å; H86-D158 VanDerWaalsContact NE2-OD1 3.16Å; H86-D158 IonicContact NE2-OD2 3.56Å; R151-D158 IonicContact CZ-OD2 2.67Å; R151-D158 VanDerWaalsContact CZ-OD2 3.31Å; R151-D158 IonicContact NE-OD2 2.77Å; R151-D158 PolarHBondContact NE-OD2 3.12Å; R151-D158 IonicContact NH2-OD1 3.56Å; R151-D158 IonicContact NH2-OD2 3.57Å; R151-D158 PolarHBondContact NH2-OD2 2.85Å; D158-N160 PolarHBondContact O-N 2.69Å; D158-N160 WeakPolarHBondContact OD1-CA 3.48Å; D158-N160 PolarHBondContact OD1-N 2.61Å; D158-R161 HydrophobicContact CB-CB 4.17Å; D158-R161 HydrophobicContact CB-CG 4.09Å; D158-R161 CarbonylContact O-C 3.37Å; D158-R161 WeakPolarHBondContact O-CA 3.19Å; D158-R161 PolarHBondContact O-N 3.11Å; D158-R161 PolarHBondContact OD1-N 3.3Å; D158-N162 PolarHBondContact O-N 3.17Å
159	L	98.8	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-63.4	-28.9	-177.3	-63.2	-176.6	0	0	0	112.4	M85 M129 N130 N153 V157 R161 N162 F163 E194 E196	M85-L159 HydrophobicContact CE-CB 4.23Å; M129-L159 HydrophobicContact CE-CB 4.32Å; M129-L159 HydrophobicContact CE-CD1 4.17Å; M129-L159 HydrophobicContact CG-CD1 4.36Å; N130-L159 HydrophobicContact CB-CD1 3.82Å; N153-L159 HydrophobicContact CB-CD1 4.39Å; N153-L159 HydrophobicContact CB-CD2 3.97Å; N153-L159 HydrophobicContact CB-CG 4.17Å; V157-L159 PolarHBondContact O-N 2.81Å; L159-R161 PolarHBondContact O-N 2.68Å; L159-N162 PolarHBondContact O-N 3.02Å; L159-F163 WeakPolarHBondContact O-CD2 3.17Å; L159-E194 HydrophobicContact CD2-CB 3.82Å; L159-E194 HydrophobicContact CD2-CG 4.12Å; L159-E196 HydrophobicContact CD1-CB 3.72Å; L159-E196 HydrophobicContact CD1-CG 4.07Å; L159-E196 HydrophobicContact CD2-CB 4.15Å
160	N	98.7	Very high	95.7	Very high	7 Å²	7	33 Å²	33	4%	0.037	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-84.1	15.5	174.4	-154.1	19.3	0	0	0	112.5	M85 D158 K290 G291 M292	M85-N160 HydrophobicContact CE-CB 3.49Å; M85-N160 VanDerWaalsContact CE-CB 3.49Å; M85-N160 HydrophobicContact SD-CB 3.77Å; D158-N160 PolarHBondContact O-N 2.69Å; D158-N160 WeakPolarHBondContact OD1-CA 3.48Å; D158-N160 PolarHBondContact OD1-N 2.61Å; N160-K290 CarbonylContact C-O 3.51Å; N160-G291 WeakPolarHBondContact O-CA 3.48Å; N160-G291 WeakPolarHBondContact OD1-CA 3.44Å; N160-M292 PolarHBondContact OD1-N 3.48Å
161	R	98.3	Very high	95	Very high	79 Å²	79	34.1 Å²	34.1	30%	0.298	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-128.2	14.1	164.7	-60.9	-63.4	-177.8	-73.1	-1.6	111.6	D158 L159 L288 S289 K290	D158-R161 HydrophobicContact CB-CB 4.17Å; D158-R161 HydrophobicContact CB-CG 4.09Å; D158-R161 CarbonylContact O-C 3.37Å; D158-R161 WeakPolarHBondContact O-CA 3.19Å; D158-R161 PolarHBondContact O-N 3.11Å; D158-R161 PolarHBondContact OD1-N 3.3Å; L159-R161 PolarHBondContact O-N 2.68Å; R161-L288 VanDerWaalsContact NH1-CG 3.29Å; R161-L288 VanDerWaalsContact NH2-CD1 3.34Å; R161-S289 WeakPolarHBondContact CD-O 3.46Å; R161-K290 CarbonylContact C-O 3.33Å; R161-K290 VanDerWaalsContact C-O 3.25Å; R161-K290 VanDerWaalsContact CA-O 3.3Å; R161-K290 WeakPolarHBondContact CA-O 3.08Å; R161-K290 PolarHBondContact N-O 2.85Å; R161-K290 WeakPolarHBondContact O-CB 3.3Å; R161-K290 WeakPolarHBondContact O-CD 3.13Å; R161-K290 WeakPolarHBondContact O-CE 3.21Å
162	N	98.6	Very high	93.7	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.07	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-20.7	-171.4	-167.6	-115.1	0	0	0	114.1	V157 D158 L159 V193 E194 T197 K290	V157-N162 HydrophobicContact CG1-CB 4.11Å; D158-N162 PolarHBondContact O-N 3.17Å; L159-N162 PolarHBondContact O-N 3.02Å; N162-V193 VanDerWaalsContact OD1-CA 3.25Å; N162-V193 WeakPolarHBondContact OD1-CA 3.38Å; N162-V193 WeakPolarHBondContact OD1-CB 3.14Å; N162-E194 PolarHBondContact OD1-N 3.29Å; N162-T197 HydrophobicContact CB-CG2 4.47Å; N162-T197 VanDerWaalsContact OD1-CB 3.22Å; N162-T197 WeakPolarHBondContact OD1-CB 3.5Å; N162-T197 PolarHBondContact OD1-OG1 2.89Å; N162-T197 VanDerWaalsContact OD1-OG1 3.12Å; N162-K290 PolarHBondContact N-O 3.11Å; N162-K290 VanDerWaalsContact N-O 3.15Å; N162-K290 PolarHBondContact O-NZ 3.01Å
163	F	98.6	Very high	91.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-64.8	153.5	179.1	-72.1	-100.6	0	0	0	112.5	M85 M129 L159 D165 T197 V200 I201 K290 M292 F295	M85-F163 HydrophobicContact CE-CE2 4.33Å; M129-F163 HydrophobicContact CE-CE2 3.92Å; M129-F163 HydrophobicContact CE-CZ 3.84Å; L159-F163 WeakPolarHBondContact O-CD2 3.17Å; F163-D165 PolarHBondContact O-N 2.9Å; F163-T197 HydrophobicContact CD1-CG2 3.94Å; F163-T197 HydrophobicContact CD2-CG2 3.93Å; F163-T197 HydrophobicContact CE1-CG2 3.95Å; F163-T197 HydrophobicContact CE2-CG2 3.92Å; F163-T197 HydrophobicContact CG-CG2 3.93Å; F163-T197 HydrophobicContact CZ-CG2 3.93Å; F163-V200 HydrophobicContact CE1-CG1 4.15Å; F163-V200 HydrophobicContact CZ-CB 4.33Å; F163-V200 HydrophobicContact CZ-CG1 3.99Å; F163-I201 HydrophobicContact CD1-CD1 4.04Å; F163-I201 HydrophobicContact CD1-CG1 3.86Å; F163-I201 HydrophobicContact CE1-CD1 4.36Å; F163-I201 HydrophobicContact CE1-CG1 3.76Å; F163-K290 PolarHBondContact N-O 3.42Å; F163-K290 WeakPolarHBondContact O-CA 3.28Å; F163-K290 WeakPolarHBondContact O-CB 3.42Å; F163-K290 VanDerWaalsContact O-CG 3.23Å; F163-K290 WeakPolarHBondContact O-CG 3.45Å; F163-K290 PolarHBondContact O-NZ 3.24Å; F163-M292 HydrophobicContact CD2-CB 3.92Å; F163-M292 HydrophobicContact CD2-CG 4.49Å; F163-M292 HydrophobicContact CE1-CB 4.33Å; F163-M292 HydrophobicContact CE1-CG 3.89Å; F163-M292 HydrophobicContact CE1-SD 4.45Å; F163-M292 HydrophobicContact CE2-CB 3.53Å; F163-M292 HydrophobicContact CE2-CG 3.8Å; F163-M292 HydrophobicContact CE2-SD 4.1Å; F163-M292 HydrophobicContact CG-CB 4.49Å; F163-M292 HydrophobicContact CZ-CB 3.76Å; F163-M292 HydrophobicContact CZ-CG 3.45Å; F163-M292 VanDerWaalsContact CZ-CG 3.45Å; F163-M292 HydrophobicContact CZ-SD 3.63Å; F163-F295 HydrophobicContact CB-CB 4.12Å; F163-F295 HydrophobicContact CB-CD2 4.18Å; F163-F295 HydrophobicContact CB-CG 4.14Å; F163-F295 HydrophobicContact CD1-CB 4.04Å; F163-F295 AromaticContact CD1-CD1 3.54Å; F163-F295 HydrophobicContact CD1-CD1 3.54Å; F163-F295 HydrophobicContact CD1-CD2 4.27Å; F163-F295 HydrophobicContact CD1-CE1 4Å; F163-F295 AromaticContact CD1-CG 3.68Å; F163-F295 HydrophobicContact CD1-CG 3.68Å; F163-F295 HydrophobicContact CE1-CD1 4.05Å; F163-F295 HydrophobicContact CE1-CE1 4.43Å; F163-F295 HydrophobicContact CG-CB 4.31Å; F163-F295 HydrophobicContact CG-CG 4.29Å
164	P	97.7	Very high	89.6	Confident	11 Å²	11	44.4 Å²	44.4	7%	0.071	25%	0.25	C	C	.	.			trans	-55.7	134.4	170.3	-26.3	35	0	0	0	112.2	L166 L185 I201 F295	P164-L166 HydrophobicContact CB-CD2 4.27Å; P164-L166 PolarHBondContact O-N 3.38Å; P164-L166 VanDerWaalsContact O-N 3.13Å; P164-L185 HydrophobicContact CB-CD2 4.23Å; P164-L185 HydrophobicContact CG-CD2 4.17Å; P164-I201 HydrophobicContact CG-CD1 4.38Å; P164-F295 HydrophobicContact CB-CD2 4.35Å; P164-F295 HydrophobicContact CB-CE2 3.91Å; P164-F295 HydrophobicContact CG-CD2 4.47Å; P164-F295 HydrophobicContact CG-CE2 3.77Å; P164-F295 HydrophobicContact CG-CZ 4.46Å
165	D	93.9	Very high	87	Confident	29 Å²	29	49.7 Å²	49.7	16%	0.155	27%	0.268	C	S	.	.			trans	-83.5	88.7	-179.2	-174.3	-31.4	0	0	0	110.3	F163 N167 T168 F169 K228 S289 K290	F163-D165 PolarHBondContact O-N 2.9Å; D165-N167 PolarHBondContact OD1-N 3.47Å; D165-T168 WeakPolarHBondContact OD1-CB 3.24Å; D165-T168 PolarHBondContact OD1-N 3.04Å; D165-T168 PolarHBondContact OD1-OG1 3.17Å; D165-T168 PolarHBondContact OD2-OG1 2.9Å; D165-F169 WeakPolarHBondContact O-CD2 3.42Å; D165-K228 IonicContact OD1-NZ 3.74Å; D165-K228 PolarHBondContact OD1-NZ 3.45Å; D165-K228 IonicContact OD2-NZ 3.3Å; D165-K228 PolarHBondContact OD2-NZ 3.21Å; D165-S289 WeakPolarHBondContact OD2-CB 3.12Å; D165-K290 HydrophobicContact CB-CG 3.82Å
166	L	94.3	Very high	84.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-80.2	-24.1	-179.5	-56.8	-176.8	0	0	0	112.7	P164 T168 F169 M170 I183 L185 F295 L298 Y299	P164-L166 HydrophobicContact CB-CD2 4.27Å; P164-L166 PolarHBondContact O-N 3.38Å; P164-L166 VanDerWaalsContact O-N 3.13Å; L166-T168 PolarHBondContact O-N 3.03Å; L166-F169 HydrophobicContact CD2-CD2 4.4Å; L166-F169 PolarHBondContact O-N 3.27Å; L166-F169 VanDerWaalsContact O-N 3.15Å; L166-M170 PolarHBondContact O-N 2.89Å; L166-M170 VanDerWaalsContact O-N 3.09Å; L166-I183 HydrophobicContact CB-CD1 4.36Å; L166-I183 HydrophobicContact CD1-CB 4.29Å; L166-I183 HydrophobicContact CD2-CB 4.43Å; L166-I183 HydrophobicContact CD2-CG2 4.03Å; L166-L185 HydrophobicContact CD1-CD2 4.27Å; L166-L185 HydrophobicContact CD2-CD2 4.13Å; L166-F295 HydrophobicContact CD1-CD2 3.77Å; L166-F295 HydrophobicContact CD1-CE2 3.83Å; L166-F295 HydrophobicContact CG-CD2 4.1Å; L166-F295 HydrophobicContact CG-CE2 4.28Å; L166-L298 HydrophobicContact CB-CB 3.77Å; L166-L298 HydrophobicContact CB-CD1 3.71Å; L166-L298 HydrophobicContact CB-CG 4.39Å; L166-L298 HydrophobicContact CD1-CB 3.94Å; L166-Y299 HydrophobicContact CD1-CD2 4.37Å; L166-Y299 HydrophobicContact CD1-CG 4.36Å
167	N	91.6	Very high	82.4	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-40.4	175.1	-56.4	81.5	0	0	0	111.6	D165 F169 M170 Y171 Y226 K228 D294 L298	D165-N167 PolarHBondContact OD1-N 3.47Å; N167-F169 PolarHBondContact O-N 3.27Å; N167-M170 PolarHBondContact O-N 3.3Å; N167-Y171 HydrophobicContact CB-CD2 4.29Å; N167-Y171 HydrophobicContact CB-CE2 3.8Å; N167-Y171 WeakPolarHBondContact O-CB 3.47Å; N167-Y171 WeakPolarHBondContact O-CD2 3.46Å; N167-Y171 PolarHBondContact O-N 2.92Å; N167-Y226 WeakPolarHBondContact ND2-CD1 3.46Å; N167-K228 HydrophobicContact CB-CB 3.96Å; N167-K228 HydrophobicContact CB-CD 3.69Å; N167-K228 HydrophobicContact CB-CG 4.41Å; N167-D294 PolarHBondContact ND2-OD2 3.34Å; N167-L298 HydrophobicContact CB-CD1 4.39Å
168	T	86.2	Confident	80.8	Confident	37 Å²	37	55.8 Å²	55.8	23%	0.227	30%	0.301	C	S	.	.	H	α-helix	trans	-56.8	-50.5	177.2	-58.2	0	0	0	0	111	D165 L166 M170 Y171 Y172 K228	D165-T168 WeakPolarHBondContact OD1-CB 3.24Å; D165-T168 PolarHBondContact OD1-N 3.04Å; D165-T168 PolarHBondContact OD1-OG1 3.17Å; D165-T168 PolarHBondContact OD2-OG1 2.9Å; L166-T168 PolarHBondContact O-N 3.03Å; T168-M170 VanDerWaalsContact C-N 3.31Å; T168-M170 PolarHBondContact O-N 3.09Å; T168-Y171 PolarHBondContact O-N 2.58Å; T168-Y172 HydrophobicContact CG2-CD2 3.43Å; T168-Y172 VanDerWaalsContact CG2-CD2 3.43Å; T168-Y172 HydrophobicContact CG2-CE2 3.58Å; T168-Y172 WeakPolarHBondContact O-CB 3.27Å; T168-Y172 VanDerWaalsContact O-CD2 3.26Å; T168-Y172 WeakPolarHBondContact O-CD2 3.47Å; T168-Y172 PolarHBondContact O-N 3.14Å; T168-K228 PolarHBondContact OG1-NZ 2.8Å
169	F	82.2	Confident	80	Confident	104 Å²	104	58.2 Å²	58.2	46%	0.456	32%	0.318	S	S	.	.	H	α-helix	trans	-60.2	-44.2	178.7	-67.6	-79.7	0	0	0	111.3	D165 L166 N167 N173 I183	D165-F169 WeakPolarHBondContact O-CD2 3.42Å; L166-F169 HydrophobicContact CD2-CD2 4.4Å; L166-F169 PolarHBondContact O-N 3.27Å; L166-F169 VanDerWaalsContact O-N 3.15Å; N167-F169 PolarHBondContact O-N 3.27Å; F169-N173 VanDerWaalsContact O-CB 3.25Å; F169-N173 WeakPolarHBondContact O-CB 3.31Å; F169-N173 PolarHBondContact O-N 2.93Å; F169-N173 VanDerWaalsContact O-N 3.07Å; F169-N173 PolarHBondContact O-ND2 2.89Å; F169-I183 HydrophobicContact CB-CG2 4.28Å
170	M	84.6	Confident	79.6	Confident	53 Å²	53	60.3 Å²	60.3	26%	0.261	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-45.4	177.7	-171.4	-168.1	66.4	0	0	112.7	L166 N167 T168 I183 Y226 L298	L166-M170 PolarHBondContact O-N 2.89Å; L166-M170 VanDerWaalsContact O-N 3.09Å; N167-M170 PolarHBondContact O-N 3.3Å; T168-M170 VanDerWaalsContact C-N 3.31Å; T168-M170 PolarHBondContact O-N 3.09Å; M170-I183 HydrophobicContact CB-CD1 4.1Å; M170-Y226 HydrophobicContact CE-CD2 4.23Å; M170-Y226 HydrophobicContact CE-CE1 4.22Å; M170-Y226 HydrophobicContact CE-CE2 3.55Å; M170-Y226 HydrophobicContact SD-CE2 4.22Å; M170-Y226 PolarHBondContact SD-OH 3.26Å; M170-L298 HydrophobicContact SD-CD2 3.7Å
171	Y	82.5	Confident	79.4	Confident	35 Å²	35	61.4 Å²	61.4	14%	0.137	33%	0.334	C	S	.	.	H	α-helix	trans	-70.9	-40.6	-178.3	-62.7	-24.7	0	0	0	113.2	N167 T168 Y226 K228 Q230 T243	N167-Y171 HydrophobicContact CB-CD2 4.29Å; N167-Y171 HydrophobicContact CB-CE2 3.8Å; N167-Y171 WeakPolarHBondContact O-CB 3.47Å; N167-Y171 WeakPolarHBondContact O-CD2 3.46Å; N167-Y171 PolarHBondContact O-N 2.92Å; T168-Y171 PolarHBondContact O-N 2.58Å; Y171-Y226 WeakPolarHBondContact OH-CB 3.39Å; Y171-K228 HydrophobicContact CE2-CB 4.25Å; Y171-K228 HydrophobicContact CE2-CD 4.21Å; Y171-K228 HydrophobicContact CE2-CG 4.21Å; Y171-K228 WeakPolarHBondContact CE2-O 3.33Å; Y171-K228 PolarHBondContact OH-O 2.77Å; Y171-Q230 HydrophobicContact CD1-CG 4.11Å; Y171-Q230 HydrophobicContact CD2-CB 4.36Å; Y171-Q230 HydrophobicContact CD2-CG 4.26Å; Y171-Q230 HydrophobicContact CE2-CB 4.35Å; Y171-Q230 HydrophobicContact CG-CB 4.47Å; Y171-Q230 HydrophobicContact CG-CG 3.98Å; Y171-T243 HydrophobicContact CE1-CG2 4.2Å; Y171-T243 VanDerWaalsContact OH-CG2 3.31Å; Y171-T243 WeakPolarHBondContact OH-CG2 3.29Å
172	Y	70.5	Confident	79.3	Confident	149 Å²	149	60.7 Å²	60.7	58%	0.584	33%	0.334	S	S	*	.	H	α-helix	trans	-73.7	-30.6	-179.7	-87.6	-81.3	0	0	0	112.6	T168 G174 Q232	T168-Y172 HydrophobicContact CG2-CD2 3.43Å; T168-Y172 VanDerWaalsContact CG2-CD2 3.43Å; T168-Y172 HydrophobicContact CG2-CE2 3.58Å; T168-Y172 WeakPolarHBondContact O-CB 3.27Å; T168-Y172 VanDerWaalsContact O-CD2 3.26Å; T168-Y172 WeakPolarHBondContact O-CD2 3.47Å; T168-Y172 PolarHBondContact O-N 3.14Å; Y172-G174 PolarHBondContact O-N 3.3Å; Y172-Q232 VanDerWaalsContact CZ-NE2 3.34Å; Y172-Q232 PolarHBondContact OH-NE2 3.12Å; Y172-Q232 PolarHBondContact OH-OE1 2.91Å
173	N	61.9	Low	79.1	Confident	89 Å²	89	60.6 Å²	60.6	48%	0.476	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-21.5	-179.7	-78.9	-9.3	0	0	0	112.4	F169 E175	F169-N173 VanDerWaalsContact O-CB 3.25Å; F169-N173 WeakPolarHBondContact O-CB 3.31Å; F169-N173 PolarHBondContact O-N 2.93Å; F169-N173 VanDerWaalsContact O-N 3.07Å; F169-N173 PolarHBondContact O-ND2 2.89Å; N173-E175 WeakPolarHBondContact O-CA 3.49Å; N173-E175 WeakPolarHBondContact O-CB 3.29Å; N173-E175 PolarHBondContact O-N 3.32Å
174	G	50	Low	78.9	Confident	71 Å²	71	65.1 Å²	65.1	73%	0.732	36%	0.363	S	S	*	.			trans	53.7	-5.5	156.6	0	0	0	0	0	118.3	Y172	Y172-G174 PolarHBondContact O-N 3.3Å
175	E	44.4	Very low	78.8	Confident	151 Å²	151	65.7 Å²	65.7	71%	0.706	37%	0.365	S	S	*	.	S	Bend	trans	-138.2	144	-168.3	-69.2	-167.1	163.9	0	0	106.8	N173 S177	N173-E175 WeakPolarHBondContact O-CA 3.49Å; N173-E175 WeakPolarHBondContact O-CB 3.29Å; N173-E175 PolarHBondContact O-N 3.32Å; E175-S177 PolarHBondContact O-N 3.17Å
176	I	48.6	Very low	78.7	Confident	187 Å²	187	66.3 Å²	66.3	96%	0.959	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	11.1	-176.7	-63	154	0	0	0	112.8
177	S	51.4	Low	78.6	Confident	98 Å²	98	74.4 Å²	74.4	69%	0.685	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-8.7	-167.8	66.1	0	0	0	0	115.5	E175	E175-S177 PolarHBondContact O-N 3.17Å
178	G	64.9	Low	78.8	Confident	30 Å²	30	78.3 Å²	78.3	31%	0.309	44%	0.435	S	S	.	.	S	Bend	trans	-90.7	162.1	175.5	0	0	0	0	0	113.7	N180	G178-N180 PolarHBondContact O-N 3.48Å
179	P	81.5	Confident	79.3	Confident	75 Å²	75	78 Å²	78	49%	0.487	43%	0.429	S	S	.	.			trans	-61.8	131.2	174.4	25.9	-32.7	0	0	0	110.7
180	N	90.8	Very high	80	Confident	44 Å²	44	79 Å²	79	24%	0.235	43%	0.433	C	S	.	.	S	Bend	trans	-91.5	-0.9	179.1	71.7	30.2	0	0	0	113.2	G178 H366 D367	G178-N180 PolarHBondContact O-N 3.48Å; N180-H366 PolarHBondContact O-ND1 3.37Å; N180-D367 PolarHBondContact ND2-OD2 3.33Å; N180-D367 PolarHBondContact OD1-N 3.08Å; N180-D367 PolarHBondContact OD1-OD2 3.14Å
181	H	94.6	Very high	80.6	Confident	30 Å²	30	81 Å²	81	14%	0.139	45%	0.453	C	S	.	.	S	Bend	trans	-148.9	160.4	-178	71.5	97.2	0	0	0	108.9	I183 D367	H181-I183 VanDerWaalsContact C-N 3.31Å; H181-I183 PolarHBondContact O-N 2.79Å; H181-D367 WeakPolarHBondContact CB-O 3.39Å
182	H	96.6	Very high	81.3	Confident	65 Å²	65	84 Å²	84	30%	0.301	47%	0.468	S	S	.	.	S	Bend	trans	49.6	46.5	172.6	-66.4	60.6	0	0	0	114	L298 N301 T369	H182-L298 PolarHBondContact N-O 2.84Å; H182-L298 VanDerWaalsContact N-O 3.14Å; H182-N301 PolarHBondContact CE1-OD1 3.12Å; H182-N301 VanDerWaalsContact CE1-OD1 3.26Å; H182-T369 PolarHBondContact CE1-OG1 2.03Å; H182-T369 VanDerWaalsContact CE1-OG1 3.25Å; H182-T369 PolarHBondContact NE2-OG1 3.06Å; H182-T369 VanDerWaalsContact NE2-OG1 3.15Å
183	I	95	Very high	82.6	Confident	11 Å²	11	77.7 Å²	77.7	6%	0.056	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-61.3	124.9	-178.7	-59.8	178.3	0	0	0	109	L166 F169 M170 H181 L298 Y299	L166-I183 HydrophobicContact CB-CD1 4.36Å; L166-I183 HydrophobicContact CD1-CB 4.29Å; L166-I183 HydrophobicContact CD2-CB 4.43Å; L166-I183 HydrophobicContact CD2-CG2 4.03Å; F169-I183 HydrophobicContact CB-CG2 4.28Å; M170-I183 HydrophobicContact CB-CD1 4.1Å; H181-I183 VanDerWaalsContact C-N 3.31Å; H181-I183 PolarHBondContact O-N 2.79Å; I183-L298 HydrophobicContact CD1-CB 4.28Å; I183-L298 HydrophobicContact CD1-CD2 4.18Å; I183-L298 PolarHBondContact N-O 2.83Å; I183-Y299 VanDerWaalsContact O-CD2 3.28Å; I183-Y299 WeakPolarHBondContact O-CD2 3.3Å
184	P	93.9	Very high	84.4	Confident	95 Å²	95	74.9 Å²	74.9	62%	0.617	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-64.3	145.1	-174.4	26	-35	0	0	0	112.3
185	L	94.9	Very high	86.7	Confident	22 Å²	22	73.7 Å²	73.7	12%	0.115	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-79.2	151.7	174.6	-54	-172.9	0	0	0	111	P164 L166 W189 I201 F295 Y299	P164-L185 HydrophobicContact CB-CD2 4.23Å; P164-L185 HydrophobicContact CG-CD2 4.17Å; L166-L185 HydrophobicContact CD1-CD2 4.27Å; L166-L185 HydrophobicContact CD2-CD2 4.13Å; L185-W189 HydrophobicContact CB-CB 4.25Å; L185-W189 HydrophobicContact CB-CG 3.9Å; L185-W189 HydrophobicContact CD1-CD2 3.72Å; L185-W189 HydrophobicContact CD1-CE3 4.29Å; L185-W189 HydrophobicContact CD1-CG 3.91Å; L185-W189 HydrophobicContact CD1-CZ2 4.13Å; L185-I201 HydrophobicContact CD1-CG2 3.93Å; L185-F295 HydrophobicContact CD1-CZ 4.16Å; L185-F295 HydrophobicContact CD2-CE2 3.51Å; L185-F295 HydrophobicContact CD2-CZ 3.73Å; L185-Y299 HydrophobicContact CD1-CE1 3.93Å; L185-Y299 HydrophobicContact CD1-CE2 3.9Å; L185-Y299 HydrophobicContact CD2-CD2 3.59Å; L185-Y299 HydrophobicContact CD2-CE2 3.62Å; L185-Y299 HydrophobicContact CD2-CG 4.1Å; L185-Y299 HydrophobicContact CG-CD2 3.94Å; L185-Y299 HydrophobicContact CG-CE1 4.32Å; L185-Y299 HydrophobicContact CG-CE2 3.39Å
186	P	91.5	Very high	89.3	Confident	43 Å²	43	66.5 Å²	66.5	28%	0.279	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-65.1	143.1	173.5	25.9	-31.9	0	0	0	111.3	N188 W189	P186-N188 PolarHBondContact O-N 2.79Å; P186-W189 HydrophobicContact CG-CB 3.99Å; P186-W189 VanDerWaalsContact O-CB 3.26Å; P186-W189 WeakPolarHBondContact O-CB 3.21Å; P186-W189 PolarHBondContact O-N 3.12Å
187	D	93.7	Very high	91.7	Very high	170 Å²	170	57.6 Å²	57.6	91%	0.909	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-35.1	-172.8	-66	-21.8	0	0	0	114.7
188	N	95.1	Very high	94	Very high	85 Å²	85	55 Å²	55	46%	0.455	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12.9	-178.6	66.2	-25.5	0	0	0	114.3	P186 K190 S191 Q192	P186-N188 PolarHBondContact O-N 2.79Å; N188-K190 PolarHBondContact O-N 2.99Å; N188-K190 VanDerWaalsContact O-N 3.12Å; N188-S191 PolarHBondContact O-N 3.21Å; N188-S191 PolarHBondContact O-OG 2.87Å; N188-Q192 PolarHBondContact ND2-NE2 3Å; N188-Q192 PolarHBondContact OD1-NE2 2.92Å
189	W	96.4	Very high	95.6	Very high	30 Å²	30	53.8 Å²	53.8	11%	0.114	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-52.2	-38.8	-175.7	73.3	-95	0	0	0	113.2	L185 P186 S191 Q192 V193 L198 I201 Q202	L185-W189 HydrophobicContact CB-CB 4.25Å; L185-W189 HydrophobicContact CB-CG 3.9Å; L185-W189 HydrophobicContact CD1-CD2 3.72Å; L185-W189 HydrophobicContact CD1-CE3 4.29Å; L185-W189 HydrophobicContact CD1-CG 3.91Å; L185-W189 HydrophobicContact CD1-CZ2 4.13Å; P186-W189 HydrophobicContact CG-CB 3.99Å; P186-W189 VanDerWaalsContact O-CB 3.26Å; P186-W189 WeakPolarHBondContact O-CB 3.21Å; P186-W189 PolarHBondContact O-N 3.12Å; W189-S191 PolarHBondContact O-N 3.49Å; W189-S191 VanDerWaalsContact O-N 3.11Å; W189-Q192 WeakPolarHBondContact O-CB 3.28Å; W189-Q192 PolarHBondContact O-N 2.98Å; W189-V193 HydrophobicContact CE3-CG2 4Å; W189-V193 HydrophobicContact CZ3-CG2 4.1Å; W189-V193 PolarHBondContact O-N 2.68Å; W189-L198 HydrophobicContact CE3-CD1 4.41Å; W189-L198 HydrophobicContact CH2-CD1 3.63Å; W189-L198 HydrophobicContact CZ3-CD1 3.49Å; W189-L198 VanDerWaalsContact CZ3-CD1 3.49Å; W189-I201 HydrophobicContact CE3-CD1 3.88Å; W189-I201 HydrophobicContact CE3-CG2 4.3Å; W189-I201 HydrophobicContact CH2-CB 3.85Å; W189-I201 HydrophobicContact CH2-CG2 3.35Å; W189-I201 HydrophobicContact CZ2-CG2 3.99Å; W189-I201 HydrophobicContact CZ3-CB 3.74Å; W189-I201 HydrophobicContact CZ3-CD1 3.64Å; W189-I201 HydrophobicContact CZ3-CG1 4.27Å; W189-I201 HydrophobicContact CZ3-CG2 3.54Å; W189-Q202 HydrophobicContact CH2-CG 4.35Å
190	K	97.6	Very high	96.4	Very high	125 Å²	125	50.2 Å²	50.2	54%	0.543	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-59	-25.7	179.6	-64.3	-175.1	-179.6	178	0	113.6	N188 L198	N188-K190 PolarHBondContact O-N 2.99Å; N188-K190 VanDerWaalsContact O-N 3.12Å; K190-L198 HydrophobicContact CB-CD1 4.14Å; K190-L198 HydrophobicContact CG-CD1 3.97Å
191	S	96.4	Very high	96.8	Very high	95 Å²	95	48.1 Å²	48.1	66%	0.664	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-92.8	-4.5	178.3	66.8	0	0	0	0	113.6	N188 W189	N188-S191 PolarHBondContact O-N 3.21Å; N188-S191 PolarHBondContact O-OG 2.87Å; W189-S191 PolarHBondContact O-N 3.49Å; W189-S191 VanDerWaalsContact O-N 3.11Å
192	Q	97.6	Very high	97	Very high	98 Å²	98	50.5 Å²	50.5	46%	0.458	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-5.2	-176.5	-64.5	-179.2	-2.2	0	0	113.4	N188 W189	N188-Q192 PolarHBondContact ND2-NE2 3Å; N188-Q192 PolarHBondContact OD1-NE2 2.92Å; W189-Q192 WeakPolarHBondContact O-CB 3.28Å; W189-Q192 PolarHBondContact O-N 2.98Å
193	V	98.6	Very high	97.1	Very high	17 Å²	17	47.6 Å²	47.6	10%	0.103	26%	0.257	C	S	.	.	S	Bend	trans	-117.5	152.1	-175.9	-60.4	0	0	0	0	110.6	N162 W189 T197 L198 I201	N162-V193 VanDerWaalsContact OD1-CA 3.25Å; N162-V193 WeakPolarHBondContact OD1-CA 3.38Å; N162-V193 WeakPolarHBondContact OD1-CB 3.14Å; W189-V193 HydrophobicContact CE3-CG2 4Å; W189-V193 HydrophobicContact CZ3-CG2 4.1Å; W189-V193 PolarHBondContact O-N 2.68Å; V193-T197 HydrophobicContact CB-CG2 3.8Å; V193-T197 HydrophobicContact CG1-CG2 3.91Å; V193-L198 HydrophobicContact CG2-CB 3.88Å; V193-L198 HydrophobicContact CG2-CD1 4.32Å; V193-I201 HydrophobicContact CG1-CD1 4.32Å
194	E	98.9	Very high	97.3	Very high	31 Å²	31	47.3 Å²	47.3	15%	0.145	26%	0.256	C	S	.	.			trans	-68.4	157.7	173.8	-68.9	-58.1	120	0	0	110.9	N153 N155 V157 L159 N162 E196 T197 L198	N153-E194 WeakPolarHBondContact ND2-CG 3.48Å; N153-E194 PolarHBondContact ND2-OE2 3.01Å; N155-E194 WeakPolarHBondContact CB-OE2 3.43Å; N155-E194 PolarHBondContact ND2-OE2 3.36Å; V157-E194 HydrophobicContact CB-CG 3.73Å; V157-E194 HydrophobicContact CG1-CG 3.72Å; V157-E194 HydrophobicContact CG2-CG 4.05Å; L159-E194 HydrophobicContact CD2-CB 3.82Å; L159-E194 HydrophobicContact CD2-CG 4.12Å; N162-E194 PolarHBondContact OD1-N 3.29Å; E194-E196 PolarHBondContact O-N 2.92Å; E194-T197 PolarHBondContact O-N 3.4Å; E194-T197 VanDerWaalsContact O-N 3.13Å; E194-L198 WeakPolarHBondContact O-CB 3.22Å; E194-L198 PolarHBondContact O-N 3.15Å
195	P	98.9	Very high	97.5	Very high	46 Å²	46	45.8 Å²	45.8	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-33	-178.2	23.4	-33.5	0	0	0	113	V55 A199	V55-P195 HydrophobicContact CB-CG 4.37Å; V55-P195 HydrophobicContact CG2-CG 3.48Å; V55-P195 VanDerWaalsContact CG2-CG 3.48Å; P195-A199 WeakPolarHBondContact O-CB 3.47Å; P195-A199 PolarHBondContact O-N 2.9Å
196	E	98.9	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-46.9	175	-59	81.7	-176	0	0	111.9	S54 V55 L60 M129 N153 L159 E194 A199 V200	S54-E196 VanDerWaalsContact CA-OE1 3.23Å; S54-E196 WeakPolarHBondContact CA-OE1 3.49Å; S54-E196 VanDerWaalsContact CB-OE1 3.28Å; S54-E196 WeakPolarHBondContact CB-OE1 3.45Å; V55-E196 PolarHBondContact N-OE1 2.85Å; L60-E196 HydrophobicContact CD1-CB 4.25Å; L60-E196 HydrophobicContact CD1-CG 4.29Å; L60-E196 HydrophobicContact CD2-CG 4.36Å; M129-E196 HydrophobicContact CE-CB 4.48Å; M129-E196 WeakPolarHBondContact O-CG 3.45Å; N153-E196 PolarHBondContact ND2-OE2 2.83Å; L159-E196 HydrophobicContact CD1-CB 3.72Å; L159-E196 HydrophobicContact CD1-CG 4.07Å; L159-E196 HydrophobicContact CD2-CB 4.15Å; E194-E196 PolarHBondContact O-N 2.92Å; E196-A199 PolarHBondContact O-N 3.03Å; E196-V200 WeakPolarHBondContact O-CG2 3.27Å; E196-V200 PolarHBondContact O-N 3.13Å
197	T	98.9	Very high	97.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-40	176.8	-63.4	0	0	0	0	111.3	N162 F163 V193 E194 A199 V200 I201	N162-T197 HydrophobicContact CB-CG2 4.47Å; N162-T197 VanDerWaalsContact OD1-CB 3.22Å; N162-T197 WeakPolarHBondContact OD1-CB 3.5Å; N162-T197 PolarHBondContact OD1-OG1 2.89Å; N162-T197 VanDerWaalsContact OD1-OG1 3.12Å; F163-T197 HydrophobicContact CD1-CG2 3.94Å; F163-T197 HydrophobicContact CD2-CG2 3.93Å; F163-T197 HydrophobicContact CE1-CG2 3.95Å; F163-T197 HydrophobicContact CE2-CG2 3.92Å; F163-T197 HydrophobicContact CG-CG2 3.93Å; F163-T197 HydrophobicContact CZ-CG2 3.93Å; V193-T197 HydrophobicContact CB-CG2 3.8Å; V193-T197 HydrophobicContact CG1-CG2 3.91Å; E194-T197 PolarHBondContact O-N 3.4Å; E194-T197 VanDerWaalsContact O-N 3.13Å; T197-A199 PolarHBondContact O-N 2.86Å; T197-V200 PolarHBondContact O-N 3.33Å; T197-I201 HydrophobicContact CG2-CD1 3.81Å; T197-I201 HydrophobicContact CG2-CG1 4.31Å; T197-I201 VanDerWaalsContact O-CG1 3.25Å; T197-I201 WeakPolarHBondContact O-CG1 3.39Å; T197-I201 PolarHBondContact O-N 3.37Å
198	L	98.8	Very high	98.1	Very high	44 Å²	44	44 Å²	44	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-50.3	173.7	178	63.8	0	0	0	111.3	W189 K190 V193 E194 V200 I201 Q202	W189-L198 HydrophobicContact CE3-CD1 4.41Å; W189-L198 HydrophobicContact CH2-CD1 3.63Å; W189-L198 HydrophobicContact CZ3-CD1 3.49Å; W189-L198 VanDerWaalsContact CZ3-CD1 3.49Å; K190-L198 HydrophobicContact CB-CD1 4.14Å; K190-L198 HydrophobicContact CG-CD1 3.97Å; V193-L198 HydrophobicContact CG2-CB 3.88Å; V193-L198 HydrophobicContact CG2-CD1 4.32Å; E194-L198 WeakPolarHBondContact O-CB 3.22Å; E194-L198 PolarHBondContact O-N 3.15Å; L198-V200 VanDerWaalsContact C-N 3.34Å; L198-V200 PolarHBondContact O-N 3.18Å; L198-I201 PolarHBondContact O-N 3.15Å; L198-Q202 HydrophobicContact CD1-CG 4.47Å; L198-Q202 WeakPolarHBondContact O-CG 3.44Å; L198-Q202 PolarHBondContact O-N 3.06Å
199	A	98.9	Very high	98.3	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-43.7	-179.9	0	0	0	0	0	111.4	I51 L60 P195 E196 T197 Q202 W203	I51-A199 HydrophobicContact CD1-CB 3.91Å; I51-A199 HydrophobicContact CG1-CB 4.15Å; I51-A199 WeakPolarHBondContact O-CB 3.28Å; L60-A199 HydrophobicContact CD1-CB 3.75Å; P195-A199 WeakPolarHBondContact O-CB 3.47Å; P195-A199 PolarHBondContact O-N 2.9Å; E196-A199 PolarHBondContact O-N 3.03Å; T197-A199 PolarHBondContact O-N 2.86Å; A199-Q202 PolarHBondContact O-N 3.06Å; A199-W203 VanDerWaalsContact O-CB 3.3Å; A199-W203 WeakPolarHBondContact O-CB 3.29Å; A199-W203 PolarHBondContact O-N 2.93Å
200	V	98.9	Very high	98.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-67.2	-43.7	178.1	171.4	0	0	0	0	111.7	I51 M126 M129 F163 E196 T197 L198 Q202 W203 I204 M292	I51-V200 HydrophobicContact CD1-CG2 3.79Å; M126-V200 HydrophobicContact CE-CG2 4.28Å; M126-V200 HydrophobicContact SD-CG2 4.49Å; M129-V200 HydrophobicContact CE-CB 4.2Å; M129-V200 HydrophobicContact CE-CG2 3.78Å; M129-V200 HydrophobicContact CG-CG2 4.04Å; M129-V200 HydrophobicContact SD-CG2 4.03Å; F163-V200 HydrophobicContact CE1-CG1 4.15Å; F163-V200 HydrophobicContact CZ-CB 4.33Å; F163-V200 HydrophobicContact CZ-CG1 3.99Å; E196-V200 WeakPolarHBondContact O-CG2 3.27Å; E196-V200 PolarHBondContact O-N 3.13Å; T197-V200 PolarHBondContact O-N 3.33Å; L198-V200 VanDerWaalsContact C-N 3.34Å; L198-V200 PolarHBondContact O-N 3.18Å; V200-Q202 VanDerWaalsContact C-N 3.29Å; V200-Q202 PolarHBondContact O-N 3.41Å; V200-W203 WeakPolarHBondContact O-CB 3.28Å; V200-W203 PolarHBondContact O-N 3.08Å; V200-W203 VanDerWaalsContact O-N 3.12Å; V200-I204 HydrophobicContact CG1-CG2 4.23Å; V200-I204 WeakPolarHBondContact O-CG2 3.41Å; V200-I204 PolarHBondContact O-N 3.17Å; V200-M292 HydrophobicContact CG1-SD 3.9Å
201	I	98.9	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-44.3	176.9	-67	171.7	0	0	0	110.3	F163 P164 L185 W189 V193 T197 L198 W203 I204 S205 F295 Y299	F163-I201 HydrophobicContact CD1-CD1 4.04Å; F163-I201 HydrophobicContact CD1-CG1 3.86Å; F163-I201 HydrophobicContact CE1-CD1 4.36Å; F163-I201 HydrophobicContact CE1-CG1 3.76Å; P164-I201 HydrophobicContact CG-CD1 4.38Å; L185-I201 HydrophobicContact CD1-CG2 3.93Å; W189-I201 HydrophobicContact CE3-CD1 3.88Å; W189-I201 HydrophobicContact CE3-CG2 4.3Å; W189-I201 HydrophobicContact CH2-CB 3.85Å; W189-I201 HydrophobicContact CH2-CG2 3.35Å; W189-I201 HydrophobicContact CZ2-CG2 3.99Å; W189-I201 HydrophobicContact CZ3-CB 3.74Å; W189-I201 HydrophobicContact CZ3-CD1 3.64Å; W189-I201 HydrophobicContact CZ3-CG1 4.27Å; W189-I201 HydrophobicContact CZ3-CG2 3.54Å; V193-I201 HydrophobicContact CG1-CD1 4.32Å; T197-I201 HydrophobicContact CG2-CD1 3.81Å; T197-I201 HydrophobicContact CG2-CG1 4.31Å; T197-I201 VanDerWaalsContact O-CG1 3.25Å; T197-I201 WeakPolarHBondContact O-CG1 3.39Å; T197-I201 PolarHBondContact O-N 3.37Å; L198-I201 PolarHBondContact O-N 3.15Å; I201-W203 VanDerWaalsContact C-N 3.34Å; I201-W203 PolarHBondContact O-N 3.08Å; I201-I204 WeakPolarHBondContact O-CG1 3.36Å; I201-S205 PolarHBondContact O-N 2.73Å; I201-S205 PolarHBondContact O-OG 3.31Å; I201-S205 VanDerWaalsContact O-OG 3.09Å; I201-F295 HydrophobicContact CB-CE1 4.41Å; I201-F295 HydrophobicContact CD1-CE1 4.27Å; I201-F295 HydrophobicContact CD1-CZ 3.99Å; I201-F295 HydrophobicContact CG1-CE1 3.68Å; I201-F295 HydrophobicContact CG1-CZ 3.86Å; I201-F295 HydrophobicContact CG2-CE1 4.19Å; I201-F295 HydrophobicContact CG2-CZ 4.04Å; I201-Y299 HydrophobicContact CG2-CE1 4.15Å
202	Q	98.7	Very high	98.6	Very high	79 Å²	79	28.4 Å²	28.4	37%	0.369	15%	0.15	S	C	.	.	H	α-helix	trans	-63.7	-40.6	176	-71.3	179.2	-36	0	0	112.1	W189 L198 A199 V200 S205 N206	W189-Q202 HydrophobicContact CH2-CG 4.35Å; L198-Q202 HydrophobicContact CD1-CG 4.47Å; L198-Q202 WeakPolarHBondContact O-CG 3.44Å; L198-Q202 PolarHBondContact O-N 3.06Å; A199-Q202 PolarHBondContact O-N 3.06Å; V200-Q202 VanDerWaalsContact C-N 3.29Å; V200-Q202 PolarHBondContact O-N 3.41Å; Q202-S205 PolarHBondContact O-N 3.05Å; Q202-N206 PolarHBondContact O-N 2.96Å; Q202-N206 PolarHBondContact O-ND2 3.14Å; Q202-N206 VanDerWaalsContact O-ND2 3.16Å; Q202-N206 PolarHBondContact O-OD1 3.36Å
203	W	98.9	Very high	98.7	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.019	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-47.5	179.2	175.4	42.1	0	0	0	112.4	Y49 I51 V62 K80 V82 H124 M126 A199 V200 I201 S205 N206 Y207 F209	Y49-W203 AromaticContact CZ-NE1 4Å; Y49-W203 PolarHBondContact OH-NE1 2.95Å; I51-W203 HydrophobicContact CB-CB 4.16Å; I51-W203 HydrophobicContact CB-CG 4.38Å; I51-W203 HydrophobicContact CD1-CB 4.14Å; I51-W203 HydrophobicContact CD1-CD2 4.48Å; I51-W203 HydrophobicContact CD1-CE3 4.24Å; I51-W203 HydrophobicContact CD1-CG 4.47Å; I51-W203 HydrophobicContact CG2-CB 3.85Å; I51-W203 HydrophobicContact CG2-CD2 4.02Å; I51-W203 HydrophobicContact CG2-CG 3.56Å; V62-W203 HydrophobicContact CG1-CZ2 4.11Å; V62-W203 HydrophobicContact CG2-CZ2 4.32Å; K80-W203 HydrophobicContact CB-CH2 3.77Å; K80-W203 HydrophobicContact CB-CZ2 4.14Å; K80-W203 HydrophobicContact CD-CE3 4.46Å; K80-W203 HydrophobicContact CD-CH2 3.56Å; K80-W203 HydrophobicContact CD-CZ2 4.13Å; K80-W203 HydrophobicContact CD-CZ3 3.73Å; K80-W203 HydrophobicContact CG-CH2 4.28Å; V82-W203 HydrophobicContact CG2-CH2 4.27Å; V82-W203 HydrophobicContact CG2-CZ3 3.85Å; H124-W203 HydrophobicContact CB-CH2 4.43Å; H124-W203 HydrophobicContact CB-CZ2 3.73Å; M126-W203 HydrophobicContact CE-CD2 4.38Å; M126-W203 HydrophobicContact CE-CE3 3.62Å; M126-W203 HydrophobicContact CE-CH2 4.12Å; M126-W203 HydrophobicContact CE-CZ3 3.46Å; M126-W203 VanDerWaalsContact CE-CZ3 3.46Å; A199-W203 VanDerWaalsContact O-CB 3.3Å; A199-W203 WeakPolarHBondContact O-CB 3.29Å; A199-W203 PolarHBondContact O-N 2.93Å; V200-W203 WeakPolarHBondContact O-CB 3.28Å; V200-W203 PolarHBondContact O-N 3.08Å; V200-W203 VanDerWaalsContact O-N 3.12Å; I201-W203 VanDerWaalsContact C-N 3.34Å; I201-W203 PolarHBondContact O-N 3.08Å; W203-S205 PolarHBondContact O-N 3.31Å; W203-N206 PolarHBondContact O-N 3.09Å; W203-Y207 AromaticContact CD1-CD2 3.56Å; W203-Y207 AromaticContact CD1-CE2 3.66Å; W203-Y207 AromaticContact NE1-CD2 3.58Å; W203-Y207 AromaticContact NE1-CE2 3.7Å; W203-F209 HydrophobicContact CD2-CE2 4.1Å; W203-F209 HydrophobicContact CD2-CZ 4.36Å; W203-F209 AromaticContact CE2-CE2 3.62Å; W203-F209 AromaticContact CE2-CZ 3.44Å; W203-F209 VanDerWaalsContact CE2-CZ 3.44Å; W203-F209 HydrophobicContact CG-CE2 4.46Å; W203-F209 HydrophobicContact CH2-CZ 4.23Å; W203-F209 HydrophobicContact CZ2-CE1 4.23Å; W203-F209 AromaticContact CZ2-CE2 3.87Å; W203-F209 HydrophobicContact CZ2-CE2 3.87Å; W203-F209 AromaticContact CZ2-CZ 3.36Å; W203-F209 HydrophobicContact CZ2-CZ 3.36Å; W203-F209 AromaticContact NE1-CE2 3.66Å; W203-F209 AromaticContact NE1-CZ 3.46Å
204	I	98.6	Very high	98.7	Very high	4 Å²	4	23 Å²	23	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-70.6	-14.5	179.4	72.8	173.2	0	0	0	113.4	K80 V200 I201 F209 F295 Y299 T300	K80-I204 HydrophobicContact CD-CG2 4.36Å; V200-I204 HydrophobicContact CG1-CG2 4.23Å; V200-I204 WeakPolarHBondContact O-CG2 3.41Å; V200-I204 PolarHBondContact O-N 3.17Å; I201-I204 WeakPolarHBondContact O-CG1 3.36Å; I204-F209 HydrophobicContact CB-CD2 4.3Å; I204-F209 HydrophobicContact CG2-CD2 4.27Å; I204-F209 HydrophobicContact CG2-CE2 4.47Å; I204-F295 HydrophobicContact CD1-CD1 3.79Å; I204-F295 HydrophobicContact CD1-CE1 3.66Å; I204-Y299 HydrophobicContact CD1-CD1 4.47Å; I204-T300 HydrophobicContact CB-CG2 4.42Å; I204-T300 HydrophobicContact CD1-CG2 3.8Å; I204-T300 HydrophobicContact CG1-CG2 3.97Å
205	S	97.6	Very high	98.7	Very high	63 Å²	63	21.6 Å²	21.6	44%	0.441	12%	0.117	S	C	.	.	H	α-helix	trans	-84.8	-17.6	169.7	-61.8	0	0	0	0	113.7	I201 Q202 W203 Y299	I201-S205 PolarHBondContact O-N 2.73Å; I201-S205 PolarHBondContact O-OG 3.31Å; I201-S205 VanDerWaalsContact O-OG 3.09Å; Q202-S205 PolarHBondContact O-N 3.05Å; W203-S205 PolarHBondContact O-N 3.31Å; S205-Y299 WeakPolarHBondContact OG-CE1 3.3Å
206	N	97.2	Very high	98.7	Very high	125 Å²	125	19.6 Å²	19.6	67%	0.668	10%	0.104	S	C	*	.	H	α-helix	trans	-92.4	-13.2	-176.7	-70.6	-22.6	0	0	0	113.4	Q202 W203	Q202-N206 PolarHBondContact O-N 2.96Å; Q202-N206 PolarHBondContact O-ND2 3.14Å; Q202-N206 VanDerWaalsContact O-ND2 3.16Å; Q202-N206 PolarHBondContact O-OD1 3.36Å; W203-N206 PolarHBondContact O-N 3.09Å
207	Y	98.1	Very high	98.6	Very high	43 Å²	43	19.7 Å²	19.7	17%	0.169	11%	0.105	C	C	.	.	S	Bend	trans	-131.4	140.9	179.5	-66.7	-93.7	0	0	0	108.9	R47 H124 W203 F209	R47-Y207 PolarHBondContact NH2-OH 3.15Å; H124-Y207 AromaticContact CE1-CD1 3.9Å; H124-Y207 AromaticContact CE1-CE1 3.51Å; H124-Y207 AromaticContact CE1-CZ 3.89Å; H124-Y207 AromaticContact NE2-CD1 3.87Å; H124-Y207 AromaticContact NE2-CE1 3.88Å; W203-Y207 AromaticContact CD1-CD2 3.56Å; W203-Y207 AromaticContact CD1-CE2 3.66Å; W203-Y207 AromaticContact NE1-CD2 3.58Å; W203-Y207 AromaticContact NE1-CE2 3.7Å; Y207-F209 HydrophobicContact CD2-CE2 4.25Å; Y207-F209 HydrophobicContact CD2-CZ 4.22Å; Y207-F209 HydrophobicContact CG-CE2 4.17Å; Y207-F209 HydrophobicContact CG-CZ 4.01Å; Y207-F209 PolarHBondContact O-N 3.02Å
208	N	98.4	Very high	98.5	Very high	31 Å²	31	20.7 Å²	20.7	17%	0.166	12%	0.115	C	C	.	.			trans	-80.9	62.9	176.8	-170.5	19.6	0	0	0	111.1	V210 N301	N208-V210 PolarHBondContact O-N 3.49Å; N208-N301 PolarHBondContact OD1-ND2 2.94Å
209	F	98.9	Very high	98.4	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.013	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	130.6	179.8	-71.9	-62.1	0	0	0	111.4	E78 K80 H124 W203 I204 Y207 N301 C302	E78-F209 HydrophobicContact CB-CD1 3.89Å; E78-F209 HydrophobicContact CB-CE1 4.3Å; E78-F209 WeakPolarHBondContact O-CA 3.35Å; K80-F209 HydrophobicContact CB-CD1 3.86Å; K80-F209 HydrophobicContact CB-CE1 3.63Å; K80-F209 HydrophobicContact CB-CZ 4.13Å; K80-F209 HydrophobicContact CD-CD1 3.95Å; K80-F209 HydrophobicContact CD-CD2 3.68Å; K80-F209 HydrophobicContact CD-CE1 4.04Å; K80-F209 HydrophobicContact CD-CE2 3.75Å; K80-F209 HydrophobicContact CD-CG 3.79Å; K80-F209 HydrophobicContact CD-CZ 3.95Å; K80-F209 HydrophobicContact CG-CD1 3.73Å; K80-F209 HydrophobicContact CG-CD2 4.36Å; K80-F209 HydrophobicContact CG-CE1 3.96Å; K80-F209 HydrophobicContact CG-CG 3.97Å; K80-F209 HydrophobicContact CG-CZ 4.36Å; H124-F209 HydrophobicContact CB-CE1 4.06Å; H124-F209 HydrophobicContact CB-CZ 4.27Å; H124-F209 AromaticContact CD2-CE1 3.56Å; H124-F209 AromaticContact CG-CE1 3.87Å; W203-F209 HydrophobicContact CD2-CE2 4.1Å; W203-F209 HydrophobicContact CD2-CZ 4.36Å; W203-F209 AromaticContact CE2-CE2 3.62Å; W203-F209 AromaticContact CE2-CZ 3.44Å; W203-F209 VanDerWaalsContact CE2-CZ 3.44Å; W203-F209 HydrophobicContact CG-CE2 4.46Å; W203-F209 HydrophobicContact CH2-CZ 4.23Å; W203-F209 HydrophobicContact CZ2-CE1 4.23Å; W203-F209 AromaticContact CZ2-CE2 3.87Å; W203-F209 HydrophobicContact CZ2-CE2 3.87Å; W203-F209 AromaticContact CZ2-CZ 3.36Å; W203-F209 HydrophobicContact CZ2-CZ 3.36Å; W203-F209 AromaticContact NE1-CE2 3.66Å; W203-F209 AromaticContact NE1-CZ 3.46Å; I204-F209 HydrophobicContact CB-CD2 4.3Å; I204-F209 HydrophobicContact CG2-CD2 4.27Å; I204-F209 HydrophobicContact CG2-CE2 4.47Å; Y207-F209 HydrophobicContact CD2-CE2 4.25Å; Y207-F209 HydrophobicContact CD2-CZ 4.22Å; Y207-F209 HydrophobicContact CG-CE2 4.17Å; Y207-F209 HydrophobicContact CG-CZ 4.01Å; Y207-F209 PolarHBondContact O-N 3.02Å; F209-N301 CarbonylContact O-C 3.57Å; F209-C302 HydrophobicContact CB-CB 3.84Å; F209-C302 WeakPolarHBondContact O-CA 3.49Å; F209-C302 VanDerWaalsContact O-CB 3.24Å; F209-C302 WeakPolarHBondContact O-CB 3.39Å; F209-C302 PolarHBondContact O-N 3.12Å
210	V	98.9	Very high	98.4	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.024	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-46.7	-177.9	-176.7	0	0	0	0	111	P77 E78 N208 F303 I338 F377 L379	P77-V210 HydrophobicContact CB-CG2 3.98Å; E78-V210 PolarHBondContact O-N 3.25Å; N208-V210 PolarHBondContact O-N 3.49Å; V210-F303 PolarHBondContact O-N 3.42Å; V210-I338 HydrophobicContact CB-CD1 3.95Å; V210-I338 HydrophobicContact CB-CG1 3.93Å; V210-I338 HydrophobicContact CG1-CG1 4.04Å; V210-F377 HydrophobicContact CB-CB 4.36Å; V210-F377 HydrophobicContact CG1-CB 3.77Å; V210-F377 HydrophobicContact CG2-CB 3.61Å; V210-F377 HydrophobicContact CG2-CD1 4.41Å; V210-F377 HydrophobicContact CG2-CD2 3.61Å; V210-F377 HydrophobicContact CG2-CE2 4.41Å; V210-F377 HydrophobicContact CG2-CG 3.62Å; V210-L379 HydrophobicContact CG1-CD1 4.29Å; V210-L379 HydrophobicContact CG1-CD2 4.09Å; V210-L379 HydrophobicContact CG1-CG 3.98Å
211	L	98.9	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.1	-177.8	-176.5	67.6	0	0	0	110.3	F79 K80 L254 F303 F334 E337 I338 L379	F79-L211 HydrophobicContact CD2-CB 4.04Å; F79-L211 HydrophobicContact CD2-CD2 4.23Å; F79-L211 HydrophobicContact CD2-CG 4.18Å; F79-L211 WeakPolarHBondContact CD2-O 3.43Å; F79-L211 HydrophobicContact CE2-CB 4.34Å; F79-L211 HydrophobicContact CE2-CD2 4.02Å; F79-L211 HydrophobicContact CE2-CG 3.99Å; K80-L211 PolarHBondContact N-O 2.93Å; L211-L254 HydrophobicContact CD1-CD1 3.84Å; L211-L254 HydrophobicContact CD1-CD2 3.97Å; L211-L254 HydrophobicContact CD2-CD2 4.41Å; L211-F303 HydrophobicContact CD1-CB 4.3Å; L211-F303 WeakPolarHBondContact CD1-O 3.32Å; L211-F334 HydrophobicContact CD1-CE1 4.34Å; L211-F334 HydrophobicContact CD1-CE2 4.4Å; L211-F334 HydrophobicContact CD1-CZ 3.78Å; L211-F334 HydrophobicContact CD2-CE1 4.13Å; L211-F334 HydrophobicContact CD2-CZ 4.16Å; L211-F334 VanDerWaalsContact CD2-O 3.27Å; L211-F334 WeakPolarHBondContact CD2-O 3.27Å; L211-F334 HydrophobicContact CG-CE1 3.99Å; L211-F334 HydrophobicContact CG-CZ 3.94Å; L211-E337 HydrophobicContact CD2-CB 3.69Å; L211-I338 HydrophobicContact CB-CB 4.14Å; L211-I338 HydrophobicContact CB-CD1 4.09Å; L211-I338 HydrophobicContact CB-CG1 3.89Å; L211-I338 HydrophobicContact CD2-CB 4.1Å; L211-L379 HydrophobicContact CB-CD1 4.32Å; L211-L379 HydrophobicContact CD1-CD1 4.04Å
212	S	99	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156.7	179.5	179.2	0	0	0	0	113.2	K80 C302 F303 E304 I305 F334	K80-S212 WeakPolarHBondContact CG-OG 3.06Å; K80-S212 PolarHBondContact NZ-OG 2.86Å; K80-S212 WeakPolarHBondContact O-CA 3.25Å; K80-S212 PolarHBondContact O-OG 3.39Å; S212-C302 WeakPolarHBondContact CB-SG 3.43Å; S212-F303 PolarHBondContact N-O 3.46Å; S212-E304 WeakPolarHBondContact CB-OE2 3.38Å; S212-E304 WeakPolarHBondContact O-CA 3.47Å; S212-E304 PolarHBondContact OG-OE2 3.28Å; S212-I305 PolarHBondContact O-N 3.31Å; S212-I305 VanDerWaalsContact O-N 3.12Å; S212-F334 WeakPolarHBondContact O-CZ 3.45Å
213	A	98.9	Very high	98.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150	151.7	0	0	0	0	0	113	K80 Y81 V82 I305 L307 F334	K80-A213 PolarHBondContact O-N 3.1Å; Y81-A213 WeakPolarHBondContact CA-O 3.42Å; Y81-A213 HydrophobicContact CD1-CB 3.85Å; Y81-A213 WeakPolarHBondContact CD1-O 3.43Å; Y81-A213 HydrophobicContact CE1-CB 3.56Å; V82-A213 PolarHBondContact N-O 3.13Å; A213-I305 CarbonylContact C-O 3.58Å; A213-I305 WeakPolarHBondContact CA-O 3.35Å; A213-I305 HydrophobicContact CB-CG1 3.84Å; A213-I305 WeakPolarHBondContact CB-O 3.3Å; A213-L307 HydrophobicContact CB-CD1 3.59Å; A213-L307 HydrophobicContact CB-CG 3.95Å; A213-F334 HydrophobicContact CB-CD1 4.44Å; A213-F334 HydrophobicContact CB-CE1 3.77Å; A213-F334 HydrophobicContact CB-CZ 4.13Å
214	N	98.9	Very high	98.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.4	167	69.9	72	0	0	0	110.3	V82 H216 M292 E304 I305 T306 L307	V82-N214 HydrophobicContact CB-CB 4.39Å; V82-N214 CarbonylContact O-C 3.47Å; V82-N214 WeakPolarHBondContact O-CA 3.38Å; N214-H216 PolarHBondContact OD1-CD2 3.33Å; N214-H216 PolarHBondContact OD1-NE2 3.42Å; N214-M292 HydrophobicContact CB-CE 3.35Å; N214-E304 PolarHBondContact ND2-OE1 2.65Å; N214-I305 PolarHBondContact N-O 3.29Å; N214-T306 PolarHBondContact ND2-OG1 3.15Å; N214-T306 VanDerWaalsContact ND2-OG1 3.08Å; N214-T306 WeakPolarHBondContact O-CA 3.21Å; N214-T306 VanDerWaalsContact OD1-CG2 3.3Å; N214-T306 WeakPolarHBondContact OD1-CG2 3.19Å; N214-T306 PolarHBondContact OD1-OG1 3.42Å; N214-L307 PolarHBondContact O-N 3.01Å
215	L	98.9	Very high	98.4	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.7	-168.7	-69.6	68.6	0	0	0	110.7	Y81 V82 L96 L309 L331	Y81-L215 HydrophobicContact CD1-CD1 3.58Å; Y81-L215 HydrophobicContact CE1-CD1 4.14Å; Y81-L215 HydrophobicContact CG-CD1 4.25Å; V82-L215 PolarHBondContact O-N 3.46Å; L96-L215 HydrophobicContact CD1-CD1 4.45Å; L96-L215 HydrophobicContact CD1-CD2 4.34Å; L96-L215 HydrophobicContact CD2-CD2 4.02Å; L96-L215 HydrophobicContact CG-CD2 3.98Å; L215-L309 HydrophobicContact CB-CD1 3.97Å; L215-L309 HydrophobicContact CD2-CD1 3.74Å; L215-L309 HydrophobicContact CG-CD1 3.94Å; L215-L331 HydrophobicContact CD2-CD2 4.35Å
216	H	98.9	Very high	98.4	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.019	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	172	-172.7	-80.3	-92.7	0	0	0	112.6	M85 H86 E89 N214 T306 L307 E308 L309	M85-H216 VanDerWaalsContact CG-CE1 3.43Å; M85-H216 WeakPolarHBondContact CG-CE1 3.44Å; M85-H216 PolarHBondContact SD-CE1 3.01Å; M85-H216 PolarHBondContact SD-NE2 3.36Å; H86-H216 AromaticContact CE1-CE1 3.28Å; H86-H216 PolarHBondContact CE1-CE1 3.3Å; H86-H216 AromaticContact CE1-ND1 3.56Å; H86-H216 AromaticContact ND1-CE1 3.3Å; H86-H216 PolarHBondContact ND1-CE1 2.99Å; H86-H216 VanDerWaalsContact ND1-CE1 3.3Å; H86-H216 AromaticContact ND1-ND1 3.25Å; H86-H216 PolarHBondContact ND1-ND1 2.92Å; E89-H216 IonicContact OE2-CE1 2.79Å; E89-H216 IonicContact OE2-CG 3.85Å; E89-H216 IonicContact OE2-ND1 3.98Å; E89-H216 PolarHBondContact OE2-ND1 3.38Å; N214-H216 PolarHBondContact OD1-CD2 3.33Å; N214-H216 PolarHBondContact OD1-NE2 3.42Å; H216-T306 HydrophobicContact CB-CG2 4.41Å; H216-L307 PolarHBondContact N-O 3.17Å; H216-E308 VanDerWaalsContact CB-CD 3.43Å; H216-E308 HydrophobicContact CB-CG 4.32Å; H216-E308 WeakPolarHBondContact CB-OE1 3.48Å; H216-E308 WeakPolarHBondContact CB-OE2 3.07Å; H216-L309 PolarHBondContact O-N 3.3Å
217	G	97.6	Very high	98.4	Very high	2 Å²	2	7.1 Å²	7.1	2%	0.021	4%	0.039	C	C	.	.			trans	-142.5	152.2	173.2	0	0	0	0	0	112	E89 E308 K313	E89-G217 VanDerWaalsContact CG-O 3.31Å; E89-G217 WeakPolarHBondContact CG-O 3.22Å; E89-G217 PolarHBondContact OE2-N 2.9Å; G217-E308 WeakPolarHBondContact CA-OE2 3.38Å; G217-E308 PolarHBondContact N-OE2 3.02Å; G217-K313 WeakPolarHBondContact O-CE 3.25Å
218	G	96	Very high	98.1	Very high	20 Å²	20	6.6 Å²	6.6	21%	0.206	4%	0.037	C	C	.	.	S	Bend	trans	130.2	-19.3	-176.2	0	0	0	0	0	112.7	S310	G218-S310 PolarHBondContact N-O 3.12Å
219	A	97.8	Very high	97.7	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.008	3%	0.032	C	C	.	.	S	Bend	trans	-141.8	-175.8	171.6	0	0	0	0	0	110.7	V221 W285 E308 S310	A219-V221 HydrophobicContact CB-CG1 4.24Å; A219-W285 HydrophobicContact CB-CH2 3.69Å; A219-W285 HydrophobicContact CB-CZ2 3.89Å; A219-E308 HydrophobicContact CB-CB 3.94Å; A219-E308 HydrophobicContact CB-CG 4.14Å; A219-E308 CarbonylContact O-C 3.24Å; A219-S310 PolarHBondContact N-O 3.22Å; A219-S310 CarbonylContact O-C 3.58Å; A219-S310 VanDerWaalsContact O-C 3.24Å; A219-S310 PolarHBondContact O-N 3.42Å; A219-S310 VanDerWaalsContact O-N 3.12Å
220	V	98.8	Very high	96.9	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.024	6%	0.059	C	C	.	.			trans	-133.1	92.7	168.6	-176.1	0	0	0	0	109	M265 N270 E308	V220-M265 HydrophobicContact CG1-CB 3.96Å; V220-M265 HydrophobicContact CG1-CE 4.08Å; V220-M265 HydrophobicContact CG1-CG 4.06Å; V220-N270 HydrophobicContact CB-CB 3.66Å; V220-N270 HydrophobicContact CG1-CB 4.47Å; V220-N270 HydrophobicContact CG2-CB 4.04Å; V220-E308 VanDerWaalsContact CA-O 3.27Å; V220-E308 WeakPolarHBondContact CA-O 3.06Å
221	V	98.8	Very high	95.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	146	-174.8	62.4	0	0	0	0	110.9	A219 M265 F275 G278 T280 W285 E308	A219-V221 HydrophobicContact CB-CG1 4.24Å; V221-M265 VanDerWaalsContact C-SD 3.59Å; V221-F275 HydrophobicContact CB-CB 4.49Å; V221-F275 HydrophobicContact CB-CD2 3.6Å; V221-F275 HydrophobicContact CB-CE2 3.88Å; V221-F275 HydrophobicContact CB-CG 4.01Å; V221-F275 HydrophobicContact CG1-CD2 4.14Å; V221-F275 HydrophobicContact CG1-CE2 3.89Å; V221-F275 HydrophobicContact CG1-CZ 4.22Å; V221-F275 HydrophobicContact CG2-CB 3.79Å; V221-F275 HydrophobicContact CG2-CD1 3.94Å; V221-F275 HydrophobicContact CG2-CD2 3.69Å; V221-F275 HydrophobicContact CG2-CE1 4.43Å; V221-F275 HydrophobicContact CG2-CE2 4.21Å; V221-F275 HydrophobicContact CG2-CG 3.53Å; V221-G278 WeakPolarHBondContact CA-O 3.47Å; V221-G278 WeakPolarHBondContact CG2-O 3.4Å; V221-T280 HydrophobicContact CG1-CG2 4.36Å; V221-T280 HydrophobicContact CG2-CG2 3.74Å; V221-W285 HydrophobicContact CG1-CE3 4.45Å; V221-W285 HydrophobicContact CG1-CH2 4.36Å; V221-W285 HydrophobicContact CG1-CZ3 4.08Å; V221-E308 HydrophobicContact CG1-CB 3.95Å; V221-E308 HydrophobicContact CG1-CG 4.03Å; V221-E308 PolarHBondContact N-O 3.2Å; V221-E308 VanDerWaalsContact N-O 3.1Å; V221-E308 WeakPolarHBondContact O-CB 3.22Å; V221-E308 PolarHBondContact O-N 3.33Å
222	A	98.9	Very high	93.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	105.5	166.6	0	0	0	0	0	109.8	A255 M265 G278 I279 T280 L307	A222-A255 HydrophobicContact CB-CB 3.81Å; A222-M265 HydrophobicContact CB-SD 3.95Å; A222-M265 PolarHBondContact N-SD 3.34Å; A222-M265 VanDerWaalsContact N-SD 3.37Å; A222-G278 PolarHBondContact N-O 3.4Å; A222-I279 HydrophobicContact CB-CG2 4.26Å; A222-I279 CarbonylContact O-C 3.59Å; A222-I279 VanDerWaalsContact O-CA 3.27Å; A222-I279 WeakPolarHBondContact O-CA 3.26Å; A222-T280 PolarHBondContact O-N 2.97Å; A222-L307 HydrophobicContact CB-CD2 3.81Å
223	N	98.9	Very high	91.6	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.8	179.1	178.6	96.6	0	0	0	110.5	D227 T280 G282 Q293 I305 T306	N223-D227 PolarHBondContact ND2-OD1 3.22Å; N223-T280 CarbonylContact C-O 3.21Å; N223-T280 VanDerWaalsContact CA-O 3.29Å; N223-T280 WeakPolarHBondContact CA-O 3.17Å; N223-T280 HydrophobicContact CB-CG2 4.17Å; N223-G282 WeakPolarHBondContact OD1-CA 3.31Å; N223-Q293 PolarHBondContact ND2-NE2 3.37Å; N223-Q293 PolarHBondContact ND2-OE1 2.87Å; N223-Q293 PolarHBondContact O-OE1 2.74Å; N223-Q293 VanDerWaalsContact O-OE1 3.12Å; N223-I305 WeakPolarHBondContact O-CB 3.03Å; N223-T306 WeakPolarHBondContact CA-O 3.33Å; N223-T306 HydrophobicContact CB-CG2 4.39Å; N223-T306 WeakPolarHBondContact CB-O 3.48Å; N223-T306 PolarHBondContact N-O 3.35Å; N223-T306 PolarHBondContact O-N 2.91Å
224	Y	98.9	Very high	89.3	Confident	17 Å²	17	35.3 Å²	35.3	7%	0.067	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.5	-179.7	59.2	-92	0	0	0	112.9	F251 Q252 A255 I279 T280 N281 G282	Y224-F251 HydrophobicContact CD2-CB 3.95Å; Y224-F251 HydrophobicContact CG-CB 4.18Å; Y224-Q252 HydrophobicContact CE1-CG 4.27Å; Y224-Q252 HydrophobicContact CE2-CG 3.99Å; Y224-A255 HydrophobicContact CD1-CB 3.8Å; Y224-I279 HydrophobicContact CD1-CB 4.49Å; Y224-I279 HydrophobicContact CE1-CB 4.06Å; Y224-I279 HydrophobicContact CE1-CD1 3.86Å; Y224-I279 HydrophobicContact CE1-CG1 4.15Å; Y224-T280 WeakPolarHBondContact CD1-O 3.38Å; Y224-T280 WeakPolarHBondContact CE1-O 3.48Å; Y224-T280 PolarHBondContact N-O 3.33Å; Y224-N281 HydrophobicContact CD2-CB 4.41Å; Y224-N281 HydrophobicContact CE2-CB 3.77Å; Y224-N281 WeakPolarHBondContact O-CA 3.41Å; Y224-G282 PolarHBondContact O-N 3.45Å
225	P	98.6	Very high	86.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-55.1	156.4	-179.1	-33.1	39	0	0	0	116	T245 F251 N281 Q293 E304	P225-T245 HydrophobicContact CB-CG2 3.4Å; P225-T245 VanDerWaalsContact CB-CG2 3.4Å; P225-F251 HydrophobicContact CB-CE2 4.43Å; P225-F251 HydrophobicContact CB-CZ 4.41Å; P225-F251 HydrophobicContact CG-CD1 4.33Å; P225-F251 HydrophobicContact CG-CE1 3.86Å; P225-F251 HydrophobicContact CG-CE2 4.34Å; P225-F251 HydrophobicContact CG-CZ 3.86Å; P225-N281 VanDerWaalsContact C-ND2 3.3Å; P225-N281 PolarHBondContact O-ND2 3.02Å; P225-Q293 HydrophobicContact CG-CG 3.84Å; P225-E304 WeakPolarHBondContact CD-O 3.29Å
226	Y	97.4	Very high	84.3	Confident	6 Å²	6	49.1 Å²	49.1	2%	0.024	22%	0.223	C	C	.	.			cis	-82.1	145.7	-11.1	-68.7	-64.7	0	0	0	112.3	N167 M170 Y171 T243 T245 N281 A283 D294 Y297 L298	N167-Y226 WeakPolarHBondContact ND2-CD1 3.46Å; M170-Y226 HydrophobicContact CE-CD2 4.23Å; M170-Y226 HydrophobicContact CE-CE1 4.22Å; M170-Y226 HydrophobicContact CE-CE2 3.55Å; M170-Y226 HydrophobicContact SD-CE2 4.22Å; M170-Y226 PolarHBondContact SD-OH 3.26Å; Y171-Y226 WeakPolarHBondContact OH-CB 3.39Å; Y226-T243 WeakPolarHBondContact CB-O 3.47Å; Y226-T243 HydrophobicContact CD2-CG2 4.36Å; Y226-T243 PolarHBondContact N-O 3.3Å; Y226-T245 HydrophobicContact CD1-CG2 4.05Å; Y226-T245 HydrophobicContact CD2-CG2 3.69Å; Y226-T245 HydrophobicContact CE1-CG2 3.95Å; Y226-T245 HydrophobicContact CE2-CG2 3.58Å; Y226-T245 HydrophobicContact CG-CG2 3.93Å; Y226-N281 PolarHBondContact N-ND2 3.23Å; Y226-N281 VanDerWaalsContact N-ND2 3.15Å; Y226-N281 PolarHBondContact O-ND2 3.41Å; Y226-A283 WeakPolarHBondContact O-CB 3.21Å; Y226-A283 PolarHBondContact O-N 2.79Å; Y226-D294 HydrophobicContact CD1-CB 4.33Å; Y226-Y297 AromaticContact CE1-CD1 3.77Å; Y226-Y297 HydrophobicContact CE1-CD1 3.77Å; Y226-Y297 HydrophobicContact CE1-CE1 4.15Å; Y226-Y297 AromaticContact CZ-CD1 3.99Å; Y226-Y297 AromaticContact CZ-CE1 3.88Å; Y226-Y297 VanDerWaalsContact OH-CE1 3.28Å; Y226-Y297 WeakPolarHBondContact OH-CE1 3.35Å; Y226-L298 HydrophobicContact CE1-CD1 4.17Å; Y226-L298 HydrophobicContact CE1-CD2 3.88Å; Y226-L298 HydrophobicContact CE1-CG 4.07Å; Y226-L298 WeakPolarHBondContact OH-CD2 3.46Å
227	D	96.6	Very high	82.1	Confident	5 Å²	5	58 Å²	58	3%	0.027	26%	0.264	C	S	.	.			trans	-76.1	-34.5	170.8	-80.1	-16.8	0	0	0	112.2	N223 G282 A283 S287 L288 Q293 D294	N223-D227 PolarHBondContact ND2-OD1 3.22Å; D227-G282 WeakPolarHBondContact OD1-CA 3.3Å; D227-A283 WeakPolarHBondContact O-CA 3.45Å; D227-A283 PolarHBondContact O-N 3.37Å; D227-S287 WeakPolarHBondContact O-CA 3.29Å; D227-L288 CarbonylContact C-O 3.59Å; D227-L288 VanDerWaalsContact C-O 3.25Å; D227-L288 HydrophobicContact CB-CB 4.1Å; D227-L288 HydrophobicContact CB-CD2 3.99Å; D227-L288 PolarHBondContact O-N 3.32Å; D227-Q293 PolarHBondContact OD1-NE2 2.9Å; D227-Q293 PolarHBondContact OD2-NE2 3.42Å; D227-D294 VanDerWaalsContact N-CG 3.29Å; D227-D294 PolarHBondContact N-OD1 3.25Å; D227-D294 PolarHBondContact N-OD2 3.28Å
228	K	92.9	Very high	80	Confident	31 Å²	31	67.5 Å²	67.5	14%	0.135	30%	0.299	C	S	.	.	S	Bend	trans	-88.7	124.3	-178.5	-166.8	-177.4	-178.7	169.2	0	111.6	D165 N167 T168 Y171 L288 D294	D165-K228 IonicContact OD1-NZ 3.74Å; D165-K228 PolarHBondContact OD1-NZ 3.45Å; D165-K228 IonicContact OD2-NZ 3.3Å; D165-K228 PolarHBondContact OD2-NZ 3.21Å; N167-K228 HydrophobicContact CB-CB 3.96Å; N167-K228 HydrophobicContact CB-CD 3.69Å; N167-K228 HydrophobicContact CB-CG 4.41Å; T168-K228 PolarHBondContact OG1-NZ 2.8Å; Y171-K228 HydrophobicContact CE2-CB 4.25Å; Y171-K228 HydrophobicContact CE2-CD 4.21Å; Y171-K228 HydrophobicContact CE2-CG 4.21Å; Y171-K228 WeakPolarHBondContact CE2-O 3.33Å; Y171-K228 PolarHBondContact OH-O 2.77Å; K228-L288 WeakPolarHBondContact CA-O 3.25Å; K228-L288 VanDerWaalsContact CB-O 3.24Å; K228-L288 WeakPolarHBondContact CB-O 3.35Å; K228-L288 PolarHBondContact N-O 3.35Å; K228-L288 VanDerWaalsContact N-O 3.13Å; K228-D294 PolarHBondContact N-OD2 3.03Å
229	S	88.7	Confident	78.3	Confident	7 Å²	7	74 Å²	74	5%	0.049	32%	0.317	C	S	.	.			trans	-67.6	141.7	171.7	-167.7	0	0	0	0	112	D231 T243 S287	S229-D231 VanDerWaalsContact C-N 3.3Å; S229-D231 PolarHBondContact OG-N 2.99Å; S229-T243 WeakPolarHBondContact CA-OG1 3.43Å; S229-S287 PolarHBondContact N-OG 3.37Å
230	Q	81.8	Confident	76.9	Confident	125 Å²	125	74.5 Å²	74.5	58%	0.584	32%	0.32	S	S	*	.	S	Bend	trans	-71.7	-25.6	172.8	-165.3	177.2	15.3	0	0	112.2	Y171 Q232 T243	Y171-Q230 HydrophobicContact CD1-CG 4.11Å; Y171-Q230 HydrophobicContact CD2-CB 4.36Å; Y171-Q230 HydrophobicContact CD2-CG 4.26Å; Y171-Q230 HydrophobicContact CE2-CB 4.35Å; Y171-Q230 HydrophobicContact CG-CB 4.47Å; Y171-Q230 HydrophobicContact CG-CG 3.98Å; Q230-Q232 PolarHBondContact O-N 3.24Å; Q230-T243 HydrophobicContact CB-CG2 4.21Å
231	D	72.5	Confident	76.2	Confident	56 Å²	56	77.9 Å²	77.9	30%	0.299	34%	0.341	S	S	.	.			trans	-88.2	106.9	-179.1	-168.2	-9.1	0	0	0	111.8	S229 R233 F234	S229-D231 VanDerWaalsContact C-N 3.3Å; S229-D231 PolarHBondContact OG-N 2.99Å; D231-R233 PolarHBondContact O-N 3.17Å; D231-R233 WeakPolarHBondContact OD1-CB 3.46Å; D231-R233 VanDerWaalsContact OD1-CG 3.29Å; D231-R233 WeakPolarHBondContact OD1-CG 3.35Å; D231-R233 PolarHBondContact OD1-N 3.15Å; D231-F234 HydrophobicContact CB-CD2 4.2Å; D231-F234 WeakPolarHBondContact OD2-CD2 3.48Å; D231-F234 VanDerWaalsContact OD2-CE2 3.28Å; D231-F234 WeakPolarHBondContact OD2-CE2 3.26Å
232	Q	60.8	Low	75.7	Confident	125 Å²	125	81.6 Å²	81.6	58%	0.584	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.8	178.2	-60.7	-173.3	-1.3	0	0	114.1	Y172 Q230	Y172-Q232 VanDerWaalsContact CZ-NE2 3.34Å; Y172-Q232 PolarHBondContact OH-NE2 3.12Å; Y172-Q232 PolarHBondContact OH-OE1 2.91Å; Q230-Q232 PolarHBondContact O-N 3.24Å
233	R	53.3	Low	75.5	Confident	224 Å²	224	82 Å²	82	85%	0.845	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-18.4	-176.2	-59.5	178.8	-168.3	-169.2	5.3	113	D231 R235	D231-R233 PolarHBondContact O-N 3.17Å; D231-R233 WeakPolarHBondContact OD1-CB 3.46Å; D231-R233 VanDerWaalsContact OD1-CG 3.29Å; D231-R233 WeakPolarHBondContact OD1-CG 3.35Å; D231-R233 PolarHBondContact OD1-N 3.15Å; R233-R235 PolarHBondContact O-N 2.77Å
234	F	50.6	Low	75.3	Confident	105 Å²	105	84.8 Å²	84.8	46%	0.461	38%	0.381	S	S	.	.			trans	-94	79.1	178.2	-70.6	-81.2	0	0	0	111.5	D231 S236 T240 V241	D231-F234 HydrophobicContact CB-CD2 4.2Å; D231-F234 WeakPolarHBondContact OD2-CD2 3.48Å; D231-F234 VanDerWaalsContact OD2-CE2 3.28Å; D231-F234 WeakPolarHBondContact OD2-CE2 3.26Å; F234-S236 PolarHBondContact O-N 3.34Å; F234-S236 VanDerWaalsContact O-N 3.17Å; F234-T240 HydrophobicContact CB-CG2 4.41Å; F234-V241 HydrophobicContact CD2-CG2 4.45Å; F234-V241 HydrophobicContact CE2-CG2 4.3Å
235	R	47.2	Very low	75.2	Confident	236 Å²	236	84.4 Å²	84.4	89%	0.891	38%	0.381	S	S	*	.			trans	-77.3	24.5	161.1	-68	-175.2	175.2	173.9	-1.9	112.5	R233	R233-R235 PolarHBondContact O-N 2.77Å
236	S	45.7	Very low	75.1	Confident	57 Å²	57	87 Å²	87	40%	0.399	40%	0.398	S	S	.	.			trans	-86.8	137.9	-177	-179.2	0	0	0	0	109.9	F234 R238	F234-S236 PolarHBondContact O-N 3.34Å; F234-S236 VanDerWaalsContact O-N 3.17Å; S236-R238 PolarHBondContact O-N 2.82Å; S236-R238 PolarHBondContact OG-N 3.14Å
237	H	51.4	Low	75.2	Confident	190 Å²	190	87 Å²	87	88%	0.88	40%	0.399	S	S	*	.	S	Bend	trans	-76.8	28.5	173.5	-64.2	69.7	0	0	0	112
238	R	54.2	Low	75.3	Confident	201 Å²	201	88.1 Å²	88.1	76%	0.758	41%	0.405	S	S	*	.	S	Bend	trans	-133.2	151.1	-176.8	-65	-174.1	176.9	-175.5	-0.8	109.3	S236 T240	S236-R238 PolarHBondContact O-N 2.82Å; S236-R238 PolarHBondContact OG-N 3.14Å; R238-T240 WeakPolarHBondContact O-CG2 3.42Å; R238-T240 PolarHBondContact O-N 3.48Å
239	R	59.9	Low	75.6	Confident	157 Å²	157	94.3 Å²	94.3	59%	0.592	43%	0.431	S	S	*	.			trans	-22.7	112.6	177.6	-71.2	-173.4	179.9	-168.2	-4.9	112.5	Y274 S284 W285	R239-Y274 PolarHBondContact NH2-O 2.95Å; R239-S284 VanDerWaalsContact CA-O 3.29Å; R239-S284 WeakPolarHBondContact CA-O 3.48Å; R239-S284 WeakPolarHBondContact CB-O 3.38Å; R239-W285 WeakPolarHBondContact CA-O 3.41Å
240	T	69.7	Low	76.1	Confident	12 Å²	12	94.3 Å²	94.3	7%	0.074	43%	0.431	C	S	.	.			trans	-96.3	-172	-179.9	87.4	0	0	0	0	110.5	F234 R238 A283 S284	F234-T240 HydrophobicContact CB-CG2 4.41Å; R238-T240 WeakPolarHBondContact O-CG2 3.42Å; R238-T240 PolarHBondContact O-N 3.48Å; T240-A283 WeakPolarHBondContact CB-O 3.37Å; T240-A283 PolarHBondContact OG1-O 2.96Å; T240-S284 PolarHBondContact N-O 3.44Å
241	V	83.6	Confident	76.9	Confident	75 Å²	75	88.3 Å²	88.3	46%	0.455	40%	0.403	S	S	.	.			trans	-73.3	134.2	-176.8	-176.6	0	0	0	0	109.7	F234 T243	F234-V241 HydrophobicContact CD2-CG2 4.45Å; F234-V241 HydrophobicContact CE2-CG2 4.3Å; V241-T243 PolarHBondContact O-N 3.48Å; V241-T243 PolarHBondContact O-OG1 3.09Å; V241-T243 VanDerWaalsContact O-OG1 3.08Å
242	N	89.1	Confident	78.1	Confident	77 Å²	77	88.6 Å²	88.6	41%	0.412	40%	0.402	S	S	.	.			trans	-54	126.8	171.7	-174.1	36.6	0	0	0	110.4	P244 N281	N242-P244 WeakPolarHBondContact O-CD 3.39Å; N242-N281 WeakPolarHBondContact OD1-CB 3.43Å; N242-N281 PolarHBondContact OD1-OD1 3.22Å; N242-N281 VanDerWaalsContact OD1-OD1 3.08Å
243	T	93.3	Very high	79.9	Confident	8 Å²	8	85.9 Å²	85.9	5%	0.049	39%	0.389	C	S	.	.			trans	-124.4	81.6	-177.5	-51.2	0	0	0	0	109.4	Y171 Y226 S229 Q230 V241 N281 A283	Y171-T243 HydrophobicContact CE1-CG2 4.2Å; Y171-T243 VanDerWaalsContact OH-CG2 3.31Å; Y171-T243 WeakPolarHBondContact OH-CG2 3.29Å; Y226-T243 WeakPolarHBondContact CB-O 3.47Å; Y226-T243 HydrophobicContact CD2-CG2 4.36Å; Y226-T243 PolarHBondContact N-O 3.3Å; S229-T243 WeakPolarHBondContact CA-OG1 3.43Å; Q230-T243 HydrophobicContact CB-CG2 4.21Å; V241-T243 PolarHBondContact O-N 3.48Å; V241-T243 PolarHBondContact O-OG1 3.09Å; V241-T243 VanDerWaalsContact O-OG1 3.08Å; T243-N281 PolarHBondContact N-OD1 3.35Å; T243-N281 PolarHBondContact O-ND2 2.83Å; T243-A283 WeakPolarHBondContact OG1-CB 3.49Å
244	P	95.6	Very high	82.1	Confident	66 Å²	66	75.2 Å²	75.2	43%	0.429	35%	0.348	S	S	.	.			trans	-72.9	153.7	-172.7	30.2	-35.7	0	0	0	112.3	N242 D248	N242-P244 WeakPolarHBondContact O-CD 3.39Å; P244-D248 HydrophobicContact CB-CB 3.8Å; P244-D248 WeakPolarHBondContact CB-OD1 3.33Å
245	T	96.6	Very high	84.4	Confident	10 Å²	10	70.2 Å²	70.2	6%	0.061	33%	0.326	C	S	.	.			trans	-86.5	167.3	169.4	72.5	0	0	0	0	112	P225 Y226 D247 D248 F251 Y297	P225-T245 HydrophobicContact CB-CG2 3.4Å; P225-T245 VanDerWaalsContact CB-CG2 3.4Å; Y226-T245 HydrophobicContact CD1-CG2 4.05Å; Y226-T245 HydrophobicContact CD2-CG2 3.69Å; Y226-T245 HydrophobicContact CE1-CG2 3.95Å; Y226-T245 HydrophobicContact CE2-CG2 3.58Å; Y226-T245 HydrophobicContact CG-CG2 3.93Å; T245-D247 PolarHBondContact O-N 3.23Å; T245-D247 VanDerWaalsContact OG1-C 3.3Å; T245-D247 PolarHBondContact OG1-N 3.37Å; T245-D247 VanDerWaalsContact OG1-N 3.13Å; T245-D248 VanDerWaalsContact O-CB 3.27Å; T245-D248 WeakPolarHBondContact O-CB 3.28Å; T245-D248 PolarHBondContact O-N 3.13Å; T245-D248 VanDerWaalsContact O-N 3.14Å; T245-D248 PolarHBondContact OG1-N 3.26Å; T245-D248 VanDerWaalsContact OG1-N 3.13Å; T245-F251 HydrophobicContact CG2-CD2 4.21Å; T245-F251 HydrophobicContact CG2-CE2 4.1Å; T245-F251 VanDerWaalsContact OG1-CD2 3.28Å; T245-F251 WeakPolarHBondContact OG1-CD2 3.39Å; T245-Y297 HydrophobicContact CG2-CD1 4.37Å; T245-Y297 HydrophobicContact CG2-CE1 3.98Å
246	P	97.1	Very high	86.9	Confident	55 Å²	55	62 Å²	62	36%	0.357	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.2	166.3	-27.1	36.9	0	0	0	113.8	I364 S365 H366	P246-I364 HydrophobicContact CB-CG2 4.12Å; P246-S365 WeakPolarHBondContact CG-O 3.49Å; P246-H366 HydrophobicContact CB-CB 4.01Å; P246-H366 HydrophobicContact CG-CB 4.15Å
247	D	98.6	Very high	89.4	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.032	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	23.5	178.2	-69.1	-78.7	0	0	0	113.2	T245 K249 L250 F251 Y297 F303 I364 H366 R378	T245-D247 PolarHBondContact O-N 3.23Å; T245-D247 VanDerWaalsContact OG1-C 3.3Å; T245-D247 PolarHBondContact OG1-N 3.37Å; T245-D247 VanDerWaalsContact OG1-N 3.13Å; D247-K249 VanDerWaalsContact C-N 3.3Å; D247-K249 PolarHBondContact O-N 3.11Å; D247-K249 VanDerWaalsContact O-N 3.15Å; D247-L250 HydrophobicContact CB-CB 4.37Å; D247-L250 HydrophobicContact CB-CD2 4.38Å; D247-L250 WeakPolarHBondContact O-CA 3.48Å; D247-L250 WeakPolarHBondContact O-CB 3.42Å; D247-L250 PolarHBondContact O-N 3.42Å; D247-F251 HydrophobicContact CB-CD2 4.07Å; D247-F251 HydrophobicContact CB-CE2 4.12Å; D247-F251 PolarHBondContact O-N 3.04Å; D247-Y297 HydrophobicContact CB-CE2 4.44Å; D247-Y297 PolarHBondContact OD2-OH 3.2Å; D247-F303 HydrophobicContact CB-CE1 3.78Å; D247-I364 WeakPolarHBondContact OD1-CG2 3.34Å; D247-H366 IonicContact OD2-CD2 3.42Å; D247-H366 PolarHBondContact OD2-CD2 3.49Å; D247-H366 IonicContact OD2-CG 3.79Å; D247-R378 IonicContact OD1-CZ 3.45Å; D247-R378 IonicContact OD1-NH2 3.93Å; D247-R378 PolarHBondContact OD1-NH2 2.87Å; D247-R378 IonicContact OD2-CZ 2.71Å; D247-R378 IonicContact OD2-NH2 3.94Å; D247-R378 PolarHBondContact OD2-NH2 2.94Å
248	D	98.7	Very high	91.7	Very high	28 Å²	28	51.6 Å²	51.6	15%	0.15	24%	0.244	C	C	.	.	H	α-helix	trans	-52.2	-42.2	-172.8	177.2	77	0	0	0	114	P244 T245 L250 F251 Q252	P244-D248 HydrophobicContact CB-CB 3.8Å; P244-D248 WeakPolarHBondContact CB-OD1 3.33Å; T245-D248 VanDerWaalsContact O-CB 3.27Å; T245-D248 WeakPolarHBondContact O-CB 3.28Å; T245-D248 PolarHBondContact O-N 3.13Å; T245-D248 VanDerWaalsContact O-N 3.14Å; T245-D248 PolarHBondContact OG1-N 3.26Å; T245-D248 VanDerWaalsContact OG1-N 3.13Å; D248-L250 VanDerWaalsContact C-N 3.32Å; D248-L250 PolarHBondContact O-N 3.4Å; D248-F251 PolarHBondContact O-N 3Å; D248-Q252 WeakPolarHBondContact O-CG 3.45Å; D248-Q252 PolarHBondContact O-N 3.13Å; D248-Q252 PolarHBondContact OD2-NE2 2.96Å
249	K	98.7	Very high	93.8	Very high	161 Å²	161	42 Å²	42	70%	0.7	21%	0.208	S	C	*	.	H	α-helix	trans	-63.5	-38.2	177.4	-67	-178.1	-179.3	175.4	0	112.5	D247 K253 L381	D247-K249 VanDerWaalsContact C-N 3.3Å; D247-K249 PolarHBondContact O-N 3.11Å; D247-K249 VanDerWaalsContact O-N 3.15Å; K249-K253 PolarHBondContact O-N 2.89Å; K249-K253 VanDerWaalsContact O-N 3.14Å; K249-L381 HydrophobicContact CB-CD1 3.74Å
250	L	98.8	Very high	95.6	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-48	176.2	168.4	66.9	0	0	0	109.6	D247 D248 Q252 K253 L254 F303 Q340 L379 L381	D247-L250 HydrophobicContact CB-CB 4.37Å; D247-L250 HydrophobicContact CB-CD2 4.38Å; D247-L250 WeakPolarHBondContact O-CA 3.48Å; D247-L250 WeakPolarHBondContact O-CB 3.42Å; D247-L250 PolarHBondContact O-N 3.42Å; D248-L250 VanDerWaalsContact C-N 3.32Å; D248-L250 PolarHBondContact O-N 3.4Å; L250-Q252 VanDerWaalsContact C-N 3.33Å; L250-Q252 PolarHBondContact O-N 2.99Å; L250-K253 WeakPolarHBondContact O-CA 3.49Å; L250-K253 WeakPolarHBondContact O-CB 3.35Å; L250-K253 PolarHBondContact O-N 3.04Å; L250-L254 HydrophobicContact CD1-CD1 4.21Å; L250-L254 HydrophobicContact CD1-CG 4.11Å; L250-L254 HydrophobicContact CG-CD1 4.01Å; L250-L254 HydrophobicContact CG-CG 4.35Å; L250-L254 WeakPolarHBondContact O-CG 3.43Å; L250-L254 PolarHBondContact O-N 3.02Å; L250-F303 HydrophobicContact CD2-CD1 3.83Å; L250-F303 HydrophobicContact CD2-CE1 3.63Å; L250-F303 HydrophobicContact CD2-CZ 4.46Å; L250-Q340 VanDerWaalsContact CD1-NE2 3.32Å; L250-L379 HydrophobicContact CD1-CB 4.23Å; L250-L379 HydrophobicContact CD2-CB 3.61Å; L250-L379 WeakPolarHBondContact CD2-O 3.35Å; L250-L381 HydrophobicContact CD1-CD2 4.29Å
251	F	98.9	Very high	97	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-41.3	177.3	-84.1	-65.7	0	0	0	113	Y224 P225 T245 D247 D248 K253 L254 A255 Y297 F303 I305	Y224-F251 HydrophobicContact CD2-CB 3.95Å; Y224-F251 HydrophobicContact CG-CB 4.18Å; P225-F251 HydrophobicContact CB-CE2 4.43Å; P225-F251 HydrophobicContact CB-CZ 4.41Å; P225-F251 HydrophobicContact CG-CD1 4.33Å; P225-F251 HydrophobicContact CG-CE1 3.86Å; P225-F251 HydrophobicContact CG-CE2 4.34Å; P225-F251 HydrophobicContact CG-CZ 3.86Å; T245-F251 HydrophobicContact CG2-CD2 4.21Å; T245-F251 HydrophobicContact CG2-CE2 4.1Å; T245-F251 VanDerWaalsContact OG1-CD2 3.28Å; T245-F251 WeakPolarHBondContact OG1-CD2 3.39Å; D247-F251 HydrophobicContact CB-CD2 4.07Å; D247-F251 HydrophobicContact CB-CE2 4.12Å; D247-F251 PolarHBondContact O-N 3.04Å; D248-F251 PolarHBondContact O-N 3Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 3.18Å; F251-L254 HydrophobicContact CD1-CD1 4.3Å; F251-L254 PolarHBondContact O-N 3.16Å; F251-A255 WeakPolarHBondContact O-CB 3.36Å; F251-A255 PolarHBondContact O-N 3.41Å; F251-Y297 AromaticContact CE2-CD2 3.87Å; F251-Y297 HydrophobicContact CE2-CD2 3.87Å; F251-Y297 AromaticContact CE2-CE2 3.68Å; F251-Y297 HydrophobicContact CE2-CE2 3.68Å; F251-Y297 HydrophobicContact CE2-CG 4.37Å; F251-Y297 AromaticContact CZ-CD2 3.71Å; F251-Y297 HydrophobicContact CZ-CD2 3.71Å; F251-Y297 AromaticContact CZ-CE2 3.98Å; F251-Y297 HydrophobicContact CZ-CE2 3.98Å; F251-Y297 HydrophobicContact CZ-CG 4.19Å; F251-F303 HydrophobicContact CE1-CB 4.07Å; F251-F303 HydrophobicContact CE1-CD1 4.1Å; F251-F303 AromaticContact CE2-CD1 3.81Å; F251-F303 HydrophobicContact CE2-CD1 3.81Å; F251-F303 HydrophobicContact CE2-CE1 4.23Å; F251-F303 HydrophobicContact CZ-CB 4.09Å; F251-F303 AromaticContact CZ-CD1 3.53Å; F251-F303 HydrophobicContact CZ-CD1 3.53Å; F251-F303 HydrophobicContact CZ-CE1 4.35Å; F251-F303 HydrophobicContact CZ-CG 4.15Å; F251-I305 HydrophobicContact CD1-CG2 3.79Å; F251-I305 HydrophobicContact CE1-CG2 4.18Å
252	Q	98.9	Very high	97.8	Very high	62 Å²	62	37.8 Å²	37.8	29%	0.29	19%	0.191	S	C	.	.	H	α-helix	trans	-59.7	-39.8	172.4	-74.4	-174.2	58.2	0	0	112	Y224 D248 L250 K256 I279	Y224-Q252 HydrophobicContact CE1-CG 4.27Å; Y224-Q252 HydrophobicContact CE2-CG 3.99Å; D248-Q252 WeakPolarHBondContact O-CG 3.45Å; D248-Q252 PolarHBondContact O-N 3.13Å; D248-Q252 PolarHBondContact OD2-NE2 2.96Å; L250-Q252 VanDerWaalsContact C-N 3.33Å; L250-Q252 PolarHBondContact O-N 2.99Å; Q252-K256 VanDerWaalsContact O-CB 3.31Å; Q252-K256 WeakPolarHBondContact O-CB 3.46Å; Q252-K256 WeakPolarHBondContact O-CG 3.47Å; Q252-K256 PolarHBondContact O-N 3.27Å; Q252-I279 HydrophobicContact CB-CD1 4.32Å; Q252-I279 HydrophobicContact CG-CD1 4.26Å
253	K	98.8	Very high	98.2	Very high	68 Å²	68	35.8 Å²	35.8	30%	0.296	19%	0.188	S	C	.	.	H	α-helix	trans	-65.8	-48.3	176.1	-169.7	-92.4	-178.6	166.3	0	111.4	K249 L250 F251 A255 K256 T257 E337 L381	K249-K253 PolarHBondContact O-N 2.89Å; K249-K253 VanDerWaalsContact O-N 3.14Å; L250-K253 WeakPolarHBondContact O-CA 3.49Å; L250-K253 WeakPolarHBondContact O-CB 3.35Å; L250-K253 PolarHBondContact O-N 3.04Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 3.18Å; K253-A255 PolarHBondContact O-N 3.13Å; K253-K256 PolarHBondContact O-N 3.21Å; K253-K256 VanDerWaalsContact O-N 3.16Å; K253-T257 PolarHBondContact O-N 3.16Å; K253-T257 PolarHBondContact O-OG1 3.06Å; K253-E337 VanDerWaalsContact CD-OE2 3.23Å; K253-E337 WeakPolarHBondContact CD-OE2 3.44Å; K253-E337 WeakPolarHBondContact CE-OE2 3.41Å; K253-E337 IonicContact NZ-OE1 2.68Å; K253-E337 PolarHBondContact NZ-OE1 2.82Å; K253-E337 IonicContact NZ-OE2 2.73Å; K253-E337 PolarHBondContact NZ-OE2 3.44Å; K253-L381 HydrophobicContact CB-CD2 3.71Å; K253-L381 HydrophobicContact CD-CD2 4.19Å; K253-L381 HydrophobicContact CG-CD2 3.77Å
254	L	98.9	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.6	-48.2	177.5	-68.4	173.5	0	0	0	111.5	L211 L250 F251 K256 T257 Y258 F334 E337	L211-L254 HydrophobicContact CD1-CD1 3.84Å; L211-L254 HydrophobicContact CD1-CD2 3.97Å; L211-L254 HydrophobicContact CD2-CD2 4.41Å; L250-L254 HydrophobicContact CD1-CD1 4.21Å; L250-L254 HydrophobicContact CD1-CG 4.11Å; L250-L254 HydrophobicContact CG-CD1 4.01Å; L250-L254 HydrophobicContact CG-CG 4.35Å; L250-L254 WeakPolarHBondContact O-CG 3.43Å; L250-L254 PolarHBondContact O-N 3.02Å; F251-L254 HydrophobicContact CD1-CD1 4.3Å; F251-L254 PolarHBondContact O-N 3.16Å; L254-K256 VanDerWaalsContact C-N 3.35Å; L254-K256 PolarHBondContact O-N 3.31Å; L254-T257 PolarHBondContact O-N 3.43Å; L254-Y258 PolarHBondContact O-N 3.3Å; L254-F334 HydrophobicContact CB-CE2 4.2Å; L254-E337 HydrophobicContact CD2-CB 3.63Å; L254-E337 HydrophobicContact CD2-CG 3.99Å; L254-E337 WeakPolarHBondContact CD2-OE2 3.45Å
255	A	98.9	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-39.8	176.7	0	0	0	0	0	112.1	A222 Y224 F251 K253 Y258 S259 I279	A222-A255 HydrophobicContact CB-CB 3.81Å; Y224-A255 HydrophobicContact CD1-CB 3.8Å; F251-A255 WeakPolarHBondContact O-CB 3.36Å; F251-A255 PolarHBondContact O-N 3.41Å; K253-A255 PolarHBondContact O-N 3.13Å; A255-Y258 PolarHBondContact O-N 3.28Å; A255-S259 WeakPolarHBondContact O-CB 3.46Å; A255-S259 PolarHBondContact O-N 3.34Å; A255-I279 HydrophobicContact CB-CB 4.08Å; A255-I279 HydrophobicContact CB-CG2 3.67Å
256	K	98.9	Very high	98.7	Very high	62 Å²	62	36.5 Å²	36.5	27%	0.27	18%	0.183	S	C	.	.	H	α-helix	trans	-66.1	-39	175.9	-78	178.5	178	-161.6	0	112.4	Q252 K253 L254 Y258 S259 Y260 D277 I279	Q252-K256 VanDerWaalsContact O-CB 3.31Å; Q252-K256 WeakPolarHBondContact O-CB 3.46Å; Q252-K256 WeakPolarHBondContact O-CG 3.47Å; Q252-K256 PolarHBondContact O-N 3.27Å; K253-K256 PolarHBondContact O-N 3.21Å; K253-K256 VanDerWaalsContact O-N 3.16Å; L254-K256 VanDerWaalsContact C-N 3.35Å; L254-K256 PolarHBondContact O-N 3.31Å; K256-Y258 VanDerWaalsContact C-N 3.29Å; K256-Y258 PolarHBondContact O-N 2.71Å; K256-S259 PolarHBondContact O-N 3.06Å; K256-Y260 HydrophobicContact CB-CD2 3.99Å; K256-Y260 HydrophobicContact CB-CE2 4.22Å; K256-Y260 HydrophobicContact CD-CE2 4.29Å; K256-Y260 HydrophobicContact CG-CD2 4.26Å; K256-Y260 HydrophobicContact CG-CE2 4.02Å; K256-Y260 WeakPolarHBondContact O-CB 3.49Å; K256-Y260 WeakPolarHBondContact O-CD2 3.38Å; K256-Y260 PolarHBondContact O-N 3.18Å; K256-D277 WeakPolarHBondContact CE-OD2 3.46Å; K256-D277 IonicContact NZ-OD2 3.75Å; K256-D277 PolarHBondContact NZ-OD2 3.04Å; K256-I279 HydrophobicContact CD-CD1 4.35Å; K256-I279 HydrophobicContact CG-CD1 4Å; K256-I279 HydrophobicContact CG-CG2 3.96Å
257	T	98.8	Very high	98.8	Very high	29 Å²	29	42.1 Å²	42.1	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-54.4	-49.5	176.7	-66.2	0	0	0	0	110.2	K253 L254 A261 A333 E337	K253-T257 PolarHBondContact O-N 3.16Å; K253-T257 PolarHBondContact O-OG1 3.06Å; L254-T257 PolarHBondContact O-N 3.43Å; T257-A261 WeakPolarHBondContact O-CB 3.33Å; T257-A261 PolarHBondContact O-N 2.84Å; T257-A333 HydrophobicContact CG2-CB 4.13Å; T257-E337 HydrophobicContact CG2-CG 3.72Å; T257-E337 WeakPolarHBondContact CG2-OE1 3.25Å; T257-E337 VanDerWaalsContact OG1-CD 3.25Å; T257-E337 PolarHBondContact OG1-OE1 3.09Å
258	Y	98.9	Very high	98.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-50.2	176.5	-163	-79.6	0	0	0	112	L254 A255 K256 Y260 A261 H262 M265 L307 L309 N327 A330 L331 F334	L254-Y258 PolarHBondContact O-N 3.3Å; A255-Y258 PolarHBondContact O-N 3.28Å; K256-Y258 VanDerWaalsContact C-N 3.29Å; K256-Y258 PolarHBondContact O-N 2.71Å; Y258-Y260 PolarHBondContact O-N 2.83Å; Y258-A261 PolarHBondContact O-N 3.25Å; Y258-H262 HydrophobicContact CD1-CB 4.43Å; Y258-H262 HydrophobicContact CE1-CB 4.39Å; Y258-H262 WeakPolarHBondContact O-CB 3.47Å; Y258-H262 PolarHBondContact O-N 2.97Å; Y258-M265 HydrophobicContact CD1-CE 4.09Å; Y258-M265 HydrophobicContact CD1-SD 4.11Å; Y258-M265 HydrophobicContact CE1-CE 4.03Å; Y258-L307 HydrophobicContact CD1-CD1 4.3Å; Y258-L307 HydrophobicContact CD1-CD2 3.69Å; Y258-L307 HydrophobicContact CD2-CD1 3.53Å; Y258-L307 HydrophobicContact CD2-CD2 4.05Å; Y258-L307 HydrophobicContact CD2-CG 4.45Å; Y258-L307 HydrophobicContact CE1-CD1 4.19Å; Y258-L307 HydrophobicContact CE1-CD2 4.18Å; Y258-L307 HydrophobicContact CE2-CD1 3.39Å; Y258-L307 HydrophobicContact CG-CD1 4Å; Y258-L307 HydrophobicContact CG-CD2 3.62Å; Y258-L307 HydrophobicContact CG-CG 4.46Å; Y258-L309 HydrophobicContact CE1-CD2 3.92Å; Y258-N327 PolarHBondContact OH-OD1 2.84Å; Y258-A330 HydrophobicContact CD1-CB 3.93Å; Y258-A330 HydrophobicContact CD2-CB 3.83Å; Y258-A330 WeakPolarHBondContact CD2-O 3.27Å; Y258-A330 HydrophobicContact CE1-CB 3.82Å; Y258-A330 HydrophobicContact CE2-CB 3.72Å; Y258-A330 HydrophobicContact CG-CB 3.93Å; Y258-A330 WeakPolarHBondContact O-CB 3.32Å; Y258-L331 HydrophobicContact CE2-CD2 3.98Å; Y258-L331 HydrophobicContact CE2-CG 4.19Å; Y258-F334 HydrophobicContact CD2-CB 3.9Å; Y258-F334 HydrophobicContact CD2-CG 4.28Å
259	S	98.9	Very high	98.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-42.3	-173.9	176	0	0	0	0	113.9	A255 K256 H262 H266 D277 G278	A255-S259 WeakPolarHBondContact O-CB 3.46Å; A255-S259 PolarHBondContact O-N 3.34Å; K256-S259 PolarHBondContact O-N 3.06Å; S259-H262 PolarHBondContact O-N 3.22Å; S259-H266 WeakPolarHBondContact O-CB 3.11Å; S259-H266 PolarHBondContact O-N 3.1Å; S259-H266 VanDerWaalsContact O-N 3.14Å; S259-H266 PolarHBondContact O-ND1 2.93Å; S259-H266 VanDerWaalsContact OG-CA 3.26Å; S259-H266 WeakPolarHBondContact OG-CA 3.32Å; S259-H266 PolarHBondContact OG-N 2.89Å; S259-H266 VanDerWaalsContact OG-N 3.13Å; S259-D277 WeakPolarHBondContact CB-O 3.46Å; S259-D277 PolarHBondContact OG-O 3.09Å; S259-G278 WeakPolarHBondContact OG-CA 3.4Å; S259-G278 PolarHBondContact OG-O 3.3Å
260	Y	98.9	Very high	98.5	Very high	122 Å²	122	42.4 Å²	42.4	48%	0.478	19%	0.193	S	C	.	.	H	α-helix	trans	-78.3	-30	179.5	-80.8	-86.2	0	0	0	113.3	K256 Y258 H262 H266 D277	K256-Y260 HydrophobicContact CB-CD2 3.99Å; K256-Y260 HydrophobicContact CB-CE2 4.22Å; K256-Y260 HydrophobicContact CD-CE2 4.29Å; K256-Y260 HydrophobicContact CG-CD2 4.26Å; K256-Y260 HydrophobicContact CG-CE2 4.02Å; K256-Y260 WeakPolarHBondContact O-CB 3.49Å; K256-Y260 WeakPolarHBondContact O-CD2 3.38Å; K256-Y260 PolarHBondContact O-N 3.18Å; Y258-Y260 PolarHBondContact O-N 2.83Å; Y260-H262 VanDerWaalsContact C-N 3.31Å; Y260-H266 HydrophobicContact CD1-CB 3.8Å; Y260-H266 HydrophobicContact CD2-CB 4.46Å; Y260-H266 HydrophobicContact CE1-CB 4.06Å; Y260-H266 HydrophobicContact CG-CB 4.03Å; Y260-D277 HydrophobicContact CE2-CB 3.98Å; Y260-D277 PolarHBondContact OH-OD1 3.4Å
261	A	98.8	Very high	98.3	Very high	32 Å²	32	44.6 Å²	44.6	26%	0.264	21%	0.209	S	C	.	.	H	α-helix	trans	-74.1	-25.3	171.3	0	0	0	0	0	112.2	T257 Y258 E329 A330 A333	T257-A261 WeakPolarHBondContact O-CB 3.33Å; T257-A261 PolarHBondContact O-N 2.84Å; Y258-A261 PolarHBondContact O-N 3.25Å; A261-E329 HydrophobicContact CB-CG 4.33Å; A261-A330 HydrophobicContact CB-CB 3.84Å; A261-A333 HydrophobicContact CB-CB 4.33Å
262	H	98.9	Very high	98	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	24%	0.239	C	C	.	.	S	Bend	trans	-70.4	142.9	176.6	-176	-97.5	0	0	0	112.1	Y258 S259 Y260 W264 M265 H266 A326 N327 A330	Y258-H262 HydrophobicContact CD1-CB 4.43Å; Y258-H262 HydrophobicContact CE1-CB 4.39Å; Y258-H262 WeakPolarHBondContact O-CB 3.47Å; Y258-H262 PolarHBondContact O-N 2.97Å; S259-H262 PolarHBondContact O-N 3.22Å; Y260-H262 VanDerWaalsContact C-N 3.31Å; H262-W264 AromaticContact CE1-CD1 3.73Å; H262-W264 AromaticContact CE1-CD2 3.83Å; H262-W264 AromaticContact CE1-CE2 3.52Å; H262-W264 AromaticContact CE1-CG 3.94Å; H262-W264 AromaticContact CE1-NE1 3.45Å; H262-W264 PolarHBondContact CE1-NE1 2.91Å; H262-W264 PolarHBondContact ND1-N 3.21Å; H262-W264 PolarHBondContact O-N 3.08Å; H262-M265 HydrophobicContact CB-CB 3.81Å; H262-M265 VanDerWaalsContact ND1-CB 3.3Å; H262-M265 WeakPolarHBondContact ND1-CB 3.06Å; H262-M265 PolarHBondContact ND1-N 2.67Å; H262-H266 PolarHBondContact O-CE1 2.61Å; H262-H266 PolarHBondContact O-ND1 3.2Å; H262-H266 VanDerWaalsContact O-ND1 3.16Å; H262-A326 WeakPolarHBondContact CA-O 3.48Å; H262-A326 PolarHBondContact CD2-O 2.95Å; H262-N327 VanDerWaalsContact CD2-CG 3.42Å; H262-N327 PolarHBondContact CD2-OD1 3.38Å; H262-N327 PolarHBondContact NE2-ND2 3.41Å; H262-N327 VanDerWaalsContact NE2-ND2 3.16Å; H262-N327 PolarHBondContact NE2-OD1 3.46Å; H262-A330 HydrophobicContact CB-CB 4.18Å
263	G	98.6	Very high	97.8	Very high	34 Å²	34	47.2 Å²	47.2	35%	0.351	24%	0.239	S	C	.	.	S	Bend	trans	-57	-25.1	-173.1	0	0	0	0	0	116.2	A326	G263-A326 PolarHBondContact N-O 2.79Å
264	W	98.6	Very high	97.7	Very high	38 Å²	38	49.5 Å²	49.5	14%	0.144	25%	0.247	C	C	.	.	S	Bend	trans	-152.8	5.1	179.8	55.2	81.7	0	0	0	116.5	H262 R267 N270 R322 A326	H262-W264 AromaticContact CE1-CD1 3.73Å; H262-W264 AromaticContact CE1-CD2 3.83Å; H262-W264 AromaticContact CE1-CE2 3.52Å; H262-W264 AromaticContact CE1-CG 3.94Å; H262-W264 AromaticContact CE1-NE1 3.45Å; H262-W264 PolarHBondContact CE1-NE1 2.91Å; H262-W264 PolarHBondContact ND1-N 3.21Å; H262-W264 PolarHBondContact O-N 3.08Å; W264-R267 WeakPolarHBondContact O-CB 3.49Å; W264-R267 PolarHBondContact O-N 2.77Å; W264-N270 PolarHBondContact O-ND2 3.4Å; W264-R322 HydrophobicContact CH2-CG 4.36Å; W264-A326 HydrophobicContact CE3-CB 3.98Å; W264-A326 HydrophobicContact CH2-CB 3.28Å; W264-A326 HydrophobicContact CZ2-CB 4.04Å; W264-A326 HydrophobicContact CZ3-CB 3.26Å
265	M	98.8	Very high	97.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-68.7	-46.1	-174.2	-178.8	178.8	-69.1	0	0	110.5	V220 V221 A222 Y258 H262 R267 G268 G278 E308 L309	V220-M265 HydrophobicContact CG1-CB 3.96Å; V220-M265 HydrophobicContact CG1-CE 4.08Å; V220-M265 HydrophobicContact CG1-CG 4.06Å; V221-M265 VanDerWaalsContact C-SD 3.59Å; A222-M265 HydrophobicContact CB-SD 3.95Å; A222-M265 PolarHBondContact N-SD 3.34Å; A222-M265 VanDerWaalsContact N-SD 3.37Å; Y258-M265 HydrophobicContact CD1-CE 4.09Å; Y258-M265 HydrophobicContact CD1-SD 4.11Å; Y258-M265 HydrophobicContact CE1-CE 4.03Å; H262-M265 HydrophobicContact CB-CB 3.81Å; H262-M265 VanDerWaalsContact ND1-CB 3.3Å; H262-M265 WeakPolarHBondContact ND1-CB 3.06Å; H262-M265 PolarHBondContact ND1-N 2.67Å; M265-R267 PolarHBondContact O-N 2.83Å; M265-G268 PolarHBondContact O-N 3.45Å; M265-G278 VanDerWaalsContact O-CA 3.26Å; M265-G278 WeakPolarHBondContact O-CA 3.45Å; M265-E308 VanDerWaalsContact CE-O 3.27Å; M265-E308 WeakPolarHBondContact CE-O 3.05Å; M265-L309 HydrophobicContact CE-CD2 4.35Å
266	H	98.6	Very high	97.6	Very high	62 Å²	62	52.5 Å²	52.5	29%	0.287	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-55.2	-19.6	176.6	62.2	-89.9	0	0	0	115.4	S259 Y260 H262 G268	S259-H266 WeakPolarHBondContact O-CB 3.11Å; S259-H266 PolarHBondContact O-N 3.1Å; S259-H266 VanDerWaalsContact O-N 3.14Å; S259-H266 PolarHBondContact O-ND1 2.93Å; S259-H266 VanDerWaalsContact OG-CA 3.26Å; S259-H266 WeakPolarHBondContact OG-CA 3.32Å; S259-H266 PolarHBondContact OG-N 2.89Å; S259-H266 VanDerWaalsContact OG-N 3.13Å; Y260-H266 HydrophobicContact CD1-CB 3.8Å; Y260-H266 HydrophobicContact CD2-CB 4.46Å; Y260-H266 HydrophobicContact CE1-CB 4.06Å; Y260-H266 HydrophobicContact CG-CB 4.03Å; H262-H266 PolarHBondContact O-CE1 2.61Å; H262-H266 PolarHBondContact O-ND1 3.2Å; H262-H266 VanDerWaalsContact O-ND1 3.16Å; H266-G268 PolarHBondContact O-N 3.33Å
267	R	98.1	Very high	97.6	Very high	173 Å²	173	52.4 Å²	52.4	65%	0.653	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-64.5	-22	175.6	-59.7	-177.2	-175.7	-176.5	1.8	111.9	W264 M265 W269	W264-R267 WeakPolarHBondContact O-CB 3.49Å; W264-R267 PolarHBondContact O-N 2.77Å; M265-R267 PolarHBondContact O-N 2.83Å; R267-W269 PolarHBondContact O-N 2.88Å
268	G	97.1	Very high	97.6	Very high	1 Å²	1	51 Å²	51	1%	0.01	26%	0.264	C	S	.	.			trans	76.7	-27.3	173.2	0	0	0	0	0	115.7	M265 H266 Y274 F275	M265-G268 PolarHBondContact O-N 3.45Å; H266-G268 PolarHBondContact O-N 3.33Å; G268-Y274 CarbonylContact O-C 3.52Å; G268-Y274 VanDerWaalsContact O-CA 3.29Å; G268-Y274 WeakPolarHBondContact O-CA 3.09Å; G268-F275 WeakPolarHBondContact CA-O 3.33Å; G268-F275 PolarHBondContact O-N 3.08Å
269	W	97.5	Very high	97.6	Very high	173 Å²	173	51.7 Å²	51.7	66%	0.655	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	97.3	178.8	-155	-80.6	0	0	0	111.6	R267 D273 Y274	R267-W269 PolarHBondContact O-N 2.88Å; W269-D273 WeakPolarHBondContact CA-O 3.4Å; W269-Y274 HydrophobicContact CD2-CD2 4.38Å; W269-Y274 AromaticContact CE3-CD2 3.38Å; W269-Y274 HydrophobicContact CE3-CD2 3.38Å; W269-Y274 HydrophobicContact CE3-CE2 4.29Å; W269-Y274 AromaticContact CE3-CG 3.7Å; W269-Y274 HydrophobicContact CE3-CG 3.7Å; W269-Y274 VanDerWaalsContact CZ3-CB 3.49Å; W269-Y274 AromaticContact CZ3-CD2 3.92Å; W269-Y274 HydrophobicContact CZ3-CD2 3.92Å; W269-Y274 AromaticContact CZ3-CG 3.76Å; W269-Y274 HydrophobicContact CZ3-CG 3.76Å
270	N	95.8	Very high	97.5	Very high	26 Å²	26	52.4 Å²	52.4	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.6	-179.4	-67.6	-71	0	0	0	109.7	V220 W264 G272 D273	V220-N270 HydrophobicContact CB-CB 3.66Å; V220-N270 HydrophobicContact CG1-CB 4.47Å; V220-N270 HydrophobicContact CG2-CB 4.04Å; W264-N270 PolarHBondContact O-ND2 3.4Å; N270-G272 PolarHBondContact O-N 3.14Å; N270-D273 PolarHBondContact N-O 2.87Å; N270-D273 VanDerWaalsContact N-O 3.16Å; N270-D273 WeakPolarHBondContact O-CA 3.27Å; N270-D273 PolarHBondContact O-N 3.39Å
271	C	94.6	Very high	97.5	Very high	53 Å²	53	46.8 Å²	46.8	36%	0.358	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	13.4	174.6	-34.7	0	0	0	0	116	D273 C311	C271-D273 VanDerWaalsContact C-N 3.32Å; C271-C311 WeakPolarHBondContact CA-SG 3.49Å; C271-C311 HydrophobicContact CB-CB 3.74Å; C271-C311 WeakPolarHBondContact CB-SG 3.43Å; C271-C311 PolarHBondContact N-SG 3.45Å; C271-C311 VanDerWaalsContact N-SG 3.42Å; C271-C311 WeakPolarHBondContact SG-CA 3.34Å; C271-C311 WeakPolarHBondContact SG-CB 3.35Å; C271-C311 CovalentContact SG-SG 2.03Å; C271-C311 PolarHBondContact SG-SG 3Å
272	G	93.6	Very high	97.4	Very high	62 Å²	62	45.3 Å²	45.3	64%	0.639	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-1.1	-171.3	0	0	0	0	0	114.3	N270	N270-G272 PolarHBondContact O-N 3.14Å
273	D	93.5	Very high	97.2	Very high	54 Å²	54	45.2 Å²	45.2	29%	0.289	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	157.2	173.6	-68.2	-55.1	0	0	0	112.1	W269 N270 C271 F275	W269-D273 WeakPolarHBondContact CA-O 3.4Å; N270-D273 PolarHBondContact N-O 2.87Å; N270-D273 VanDerWaalsContact N-O 3.16Å; N270-D273 WeakPolarHBondContact O-CA 3.27Å; N270-D273 PolarHBondContact O-N 3.39Å; C271-D273 VanDerWaalsContact C-N 3.32Å; D273-F275 HydrophobicContact CB-CD2 4.1Å; D273-F275 HydrophobicContact CB-CE2 3.48Å; D273-F275 VanDerWaalsContact CB-CE2 3.48Å; D273-F275 HydrophobicContact CB-CZ 4.04Å
274	Y	97	Very high	97	Very high	117 Å²	117	45.3 Å²	45.3	46%	0.459	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.6	171.8	-178.8	-113.5	0	0	0	112.3	R239 G268 W269	R239-Y274 PolarHBondContact NH2-O 2.95Å; G268-Y274 CarbonylContact O-C 3.52Å; G268-Y274 VanDerWaalsContact O-CA 3.29Å; G268-Y274 WeakPolarHBondContact O-CA 3.09Å; W269-Y274 HydrophobicContact CD2-CD2 4.38Å; W269-Y274 AromaticContact CE3-CD2 3.38Å; W269-Y274 HydrophobicContact CE3-CD2 3.38Å; W269-Y274 HydrophobicContact CE3-CE2 4.29Å; W269-Y274 AromaticContact CE3-CG 3.7Å; W269-Y274 HydrophobicContact CE3-CG 3.7Å; W269-Y274 VanDerWaalsContact CZ3-CB 3.49Å; W269-Y274 AromaticContact CZ3-CD2 3.92Å; W269-Y274 HydrophobicContact CZ3-CD2 3.92Å; W269-Y274 AromaticContact CZ3-CG 3.76Å; W269-Y274 HydrophobicContact CZ3-CG 3.76Å
275	F	97.8	Very high	96.7	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.035	23%	0.233	C	C	.	.			trans	-120.1	112.4	174.9	-59.9	-70.4	0	0	0	109.6	V221 G268 D273 D277 G278 T280 W285	V221-F275 HydrophobicContact CB-CB 4.49Å; V221-F275 HydrophobicContact CB-CD2 3.6Å; V221-F275 HydrophobicContact CB-CE2 3.88Å; V221-F275 HydrophobicContact CB-CG 4.01Å; V221-F275 HydrophobicContact CG1-CD2 4.14Å; V221-F275 HydrophobicContact CG1-CE2 3.89Å; V221-F275 HydrophobicContact CG1-CZ 4.22Å; V221-F275 HydrophobicContact CG2-CB 3.79Å; V221-F275 HydrophobicContact CG2-CD1 3.94Å; V221-F275 HydrophobicContact CG2-CD2 3.69Å; V221-F275 HydrophobicContact CG2-CE1 4.43Å; V221-F275 HydrophobicContact CG2-CE2 4.21Å; V221-F275 HydrophobicContact CG2-CG 3.53Å; G268-F275 WeakPolarHBondContact CA-O 3.33Å; G268-F275 PolarHBondContact O-N 3.08Å; D273-F275 HydrophobicContact CB-CD2 4.1Å; D273-F275 HydrophobicContact CB-CE2 3.48Å; D273-F275 VanDerWaalsContact CB-CE2 3.48Å; D273-F275 HydrophobicContact CB-CZ 4.04Å; F275-D277 PolarHBondContact O-N 3.3Å; F275-G278 PolarHBondContact O-N 3.47Å; F275-T280 HydrophobicContact CD1-CG2 4.21Å; F275-T280 HydrophobicContact CE1-CG2 4.06Å; F275-W285 HydrophobicContact CE1-CB 4.41Å; F275-W285 AromaticContact CE1-CD1 3.98Å; F275-W285 HydrophobicContact CE1-CD2 4.25Å; F275-W285 AromaticContact CE1-CG 3.97Å; F275-W285 HydrophobicContact CE1-CG 3.97Å; F275-W285 AromaticContact CZ-CD1 3.91Å; F275-W285 AromaticContact CZ-CD2 3.98Å; F275-W285 HydrophobicContact CZ-CD2 3.98Å; F275-W285 AromaticContact CZ-CE2 3.77Å; F275-W285 HydrophobicContact CZ-CG 4.08Å; F275-W285 HydrophobicContact CZ-CZ2 4.3Å; F275-W285 AromaticContact CZ-NE1 3.71Å
276	A	97.9	Very high	96.3	Very high	55 Å²	55	49.1 Å²	49.1	46%	0.455	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-57.6	134.1	176.7	0	0	0	0	0	109.9	G278 I279	A276-G278 PolarHBondContact O-N 2.55Å; A276-I279 PolarHBondContact O-N 3.29Å
277	D	98.5	Very high	95.9	Very high	59 Å²	59	48.5 Å²	48.5	32%	0.316	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	56.7	14.2	-173.8	-53.4	-27.6	0	0	0	114.7	K256 S259 Y260 F275 I279	K256-D277 WeakPolarHBondContact CE-OD2 3.46Å; K256-D277 IonicContact NZ-OD2 3.75Å; K256-D277 PolarHBondContact NZ-OD2 3.04Å; S259-D277 WeakPolarHBondContact CB-O 3.46Å; S259-D277 PolarHBondContact OG-O 3.09Å; Y260-D277 HydrophobicContact CE2-CB 3.98Å; Y260-D277 PolarHBondContact OH-OD1 3.4Å; F275-D277 PolarHBondContact O-N 3.3Å; D277-I279 VanDerWaalsContact C-N 3.25Å; D277-I279 HydrophobicContact CB-CG1 4.38Å; D277-I279 PolarHBondContact O-N 3.03Å
278	G	98.6	Very high	95.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	65.1	24.2	-176.5	0	0	0	0	0	114.3	V221 A222 S259 M265 F275 A276	V221-G278 WeakPolarHBondContact CA-O 3.47Å; V221-G278 WeakPolarHBondContact CG2-O 3.4Å; A222-G278 PolarHBondContact N-O 3.4Å; S259-G278 WeakPolarHBondContact OG-CA 3.4Å; S259-G278 PolarHBondContact OG-O 3.3Å; M265-G278 VanDerWaalsContact O-CA 3.26Å; M265-G278 WeakPolarHBondContact O-CA 3.45Å; F275-G278 PolarHBondContact O-N 3.47Å; A276-G278 PolarHBondContact O-N 2.55Å
279	I	98.8	Very high	95.5	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.077	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	157.8	178.7	69.3	165.1	0	0	0	111.7	A222 Y224 Q252 A255 K256 A276 D277	A222-I279 HydrophobicContact CB-CG2 4.26Å; A222-I279 CarbonylContact O-C 3.59Å; A222-I279 VanDerWaalsContact O-CA 3.27Å; A222-I279 WeakPolarHBondContact O-CA 3.26Å; Y224-I279 HydrophobicContact CD1-CB 4.49Å; Y224-I279 HydrophobicContact CE1-CB 4.06Å; Y224-I279 HydrophobicContact CE1-CD1 3.86Å; Y224-I279 HydrophobicContact CE1-CG1 4.15Å; Q252-I279 HydrophobicContact CB-CD1 4.32Å; Q252-I279 HydrophobicContact CG-CD1 4.26Å; A255-I279 HydrophobicContact CB-CB 4.08Å; A255-I279 HydrophobicContact CB-CG2 3.67Å; K256-I279 HydrophobicContact CD-CD1 4.35Å; K256-I279 HydrophobicContact CG-CD1 4Å; K256-I279 HydrophobicContact CG-CG2 3.96Å; A276-I279 PolarHBondContact O-N 3.29Å; D277-I279 VanDerWaalsContact C-N 3.25Å; D277-I279 HydrophobicContact CB-CG1 4.38Å; D277-I279 PolarHBondContact O-N 3.03Å
280	T	98.5	Very high	95.5	Very high	15 Å²	15	37.6 Å²	37.6	9%	0.092	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	143.1	172.9	-157.6	0	0	0	0	112.7	V221 A222 N223 Y224 F275 W285	V221-T280 HydrophobicContact CG1-CG2 4.36Å; V221-T280 HydrophobicContact CG2-CG2 3.74Å; A222-T280 PolarHBondContact O-N 2.97Å; N223-T280 CarbonylContact C-O 3.21Å; N223-T280 VanDerWaalsContact CA-O 3.29Å; N223-T280 WeakPolarHBondContact CA-O 3.17Å; N223-T280 HydrophobicContact CB-CG2 4.17Å; Y224-T280 WeakPolarHBondContact CD1-O 3.38Å; Y224-T280 WeakPolarHBondContact CE1-O 3.48Å; Y224-T280 PolarHBondContact N-O 3.33Å; F275-T280 HydrophobicContact CD1-CG2 4.21Å; F275-T280 HydrophobicContact CE1-CG2 4.06Å; T280-W285 HydrophobicContact CG2-CB 3.93Å; T280-W285 HydrophobicContact CG2-CD2 4.4Å; T280-W285 HydrophobicContact CG2-CE3 4.04Å; T280-W285 HydrophobicContact CG2-CG 4.41Å
281	N	98.5	Very high	95.6	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.1	162.9	165.7	-101.4	0	0	0	108.2	Y224 P225 Y226 N242 T243 A283 S284 W285	Y224-N281 HydrophobicContact CD2-CB 4.41Å; Y224-N281 HydrophobicContact CE2-CB 3.77Å; Y224-N281 WeakPolarHBondContact O-CA 3.41Å; P225-N281 VanDerWaalsContact C-ND2 3.3Å; P225-N281 PolarHBondContact O-ND2 3.02Å; Y226-N281 PolarHBondContact N-ND2 3.23Å; Y226-N281 VanDerWaalsContact N-ND2 3.15Å; Y226-N281 PolarHBondContact O-ND2 3.41Å; N242-N281 WeakPolarHBondContact OD1-CB 3.43Å; N242-N281 PolarHBondContact OD1-OD1 3.22Å; N242-N281 VanDerWaalsContact OD1-OD1 3.08Å; T243-N281 PolarHBondContact N-OD1 3.35Å; T243-N281 PolarHBondContact O-ND2 2.83Å; N281-A283 PolarHBondContact O-N 3.47Å; N281-A283 PolarHBondContact OD1-N 2.97Å; N281-S284 WeakPolarHBondContact O-CA 3.38Å; N281-S284 WeakPolarHBondContact O-CB 3.5Å; N281-S284 PolarHBondContact O-N 3.01Å; N281-S284 PolarHBondContact OD1-N 3.07Å; N281-W285 PolarHBondContact O-N 3.2Å; N281-W285 VanDerWaalsContact O-N 3.09Å
282	G	97.3	Very high	95.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-48.5	-172.1	0	0	0	0	0	114	N223 Y224 D227 S284 W285 Y286	N223-G282 WeakPolarHBondContact OD1-CA 3.31Å; Y224-G282 PolarHBondContact O-N 3.45Å; D227-G282 WeakPolarHBondContact OD1-CA 3.3Å; G282-S284 VanDerWaalsContact C-N 3.28Å; G282-S284 PolarHBondContact O-N 3.2Å; G282-W285 PolarHBondContact O-N 2.04Å; G282-W285 VanDerWaalsContact O-N 3.08Å; G282-Y286 CarbonylContact O-C 3.51Å; G282-Y286 PolarHBondContact O-N 3.41Å
283	A	94.3	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.6	-41.1	175	0	0	0	0	0	111.8	Y226 D227 T240 T243 N281 W285 Y286	Y226-A283 WeakPolarHBondContact O-CB 3.21Å; Y226-A283 PolarHBondContact O-N 2.79Å; D227-A283 WeakPolarHBondContact O-CA 3.45Å; D227-A283 PolarHBondContact O-N 3.37Å; T240-A283 WeakPolarHBondContact CB-O 3.37Å; T240-A283 PolarHBondContact OG1-O 2.96Å; T243-A283 WeakPolarHBondContact OG1-CB 3.49Å; N281-A283 PolarHBondContact O-N 3.47Å; N281-A283 PolarHBondContact OD1-N 2.97Å; A283-W285 VanDerWaalsContact C-N 3.26Å; A283-W285 PolarHBondContact O-N 3.25Å; A283-Y286 PolarHBondContact O-N 2.97Å
284	S	93.1	Very high	96.3	Very high	37 Å²	37	28.7 Å²	28.7	26%	0.259	15%	0.154	S	C	.	.	H	α-helix	trans	-60.3	-34.7	177.7	-168.6	0	0	0	0	113	R239 T240 N281 G282	R239-S284 VanDerWaalsContact CA-O 3.29Å; R239-S284 WeakPolarHBondContact CA-O 3.48Å; R239-S284 WeakPolarHBondContact CB-O 3.38Å; T240-S284 PolarHBondContact N-O 3.44Å; N281-S284 WeakPolarHBondContact O-CA 3.38Å; N281-S284 WeakPolarHBondContact O-CB 3.5Å; N281-S284 PolarHBondContact O-N 3.01Å; N281-S284 PolarHBondContact OD1-N 3.07Å; G282-S284 VanDerWaalsContact C-N 3.28Å; G282-S284 PolarHBondContact O-N 3.2Å
285	W	93.8	Very high	96.4	Very high	40 Å²	40	23.2 Å²	23.2	15%	0.152	13%	0.132	C	C	.	.	H	α-helix	trans	-73.4	-61	173.8	-178.6	18	0	0	0	111.1	A219 V221 R239 F275 T280 N281 G282 A283 E308	A219-W285 HydrophobicContact CB-CH2 3.69Å; A219-W285 HydrophobicContact CB-CZ2 3.89Å; V221-W285 HydrophobicContact CG1-CE3 4.45Å; V221-W285 HydrophobicContact CG1-CH2 4.36Å; V221-W285 HydrophobicContact CG1-CZ3 4.08Å; R239-W285 WeakPolarHBondContact CA-O 3.41Å; F275-W285 HydrophobicContact CE1-CB 4.41Å; F275-W285 AromaticContact CE1-CD1 3.98Å; F275-W285 HydrophobicContact CE1-CD2 4.25Å; F275-W285 AromaticContact CE1-CG 3.97Å; F275-W285 HydrophobicContact CE1-CG 3.97Å; F275-W285 AromaticContact CZ-CD1 3.91Å; F275-W285 AromaticContact CZ-CD2 3.98Å; F275-W285 HydrophobicContact CZ-CD2 3.98Å; F275-W285 AromaticContact CZ-CE2 3.77Å; F275-W285 HydrophobicContact CZ-CG 4.08Å; F275-W285 HydrophobicContact CZ-CZ2 4.3Å; F275-W285 AromaticContact CZ-NE1 3.71Å; T280-W285 HydrophobicContact CG2-CB 3.93Å; T280-W285 HydrophobicContact CG2-CD2 4.4Å; T280-W285 HydrophobicContact CG2-CE3 4.04Å; T280-W285 HydrophobicContact CG2-CG 4.41Å; N281-W285 PolarHBondContact O-N 3.2Å; N281-W285 VanDerWaalsContact O-N 3.09Å; G282-W285 PolarHBondContact O-N 2.04Å; G282-W285 VanDerWaalsContact O-N 3.08Å; A283-W285 VanDerWaalsContact C-N 3.26Å; A283-W285 PolarHBondContact O-N 3.25Å; W285-E308 HydrophobicContact CH2-CG 4.03Å; W285-E308 HydrophobicContact CZ3-CG 4Å
286	Y	88.9	Confident	96.5	Very high	77 Å²	77	22.9 Å²	22.9	30%	0.302	13%	0.13	S	C	.	.			trans	-161.6	139.5	169.3	63.1	-89.1	0	0	0	110.1	G282 A283 L288	G282-Y286 CarbonylContact O-C 3.51Å; G282-Y286 PolarHBondContact O-N 3.41Å; A283-Y286 PolarHBondContact O-N 2.97Å; Y286-L288 HydrophobicContact CD2-CB 4.49Å; Y286-L288 HydrophobicContact CE2-CB 4.18Å; Y286-L288 HydrophobicContact CE2-CD1 4.18Å; Y286-L288 PolarHBondContact O-N 2.81Å
287	S	91.9	Very high	96.5	Very high	50 Å²	50	20.2 Å²	20.2	35%	0.35	11%	0.109	S	C	.	.			trans	-65.5	130.5	-180	-173.3	0	0	0	0	111.8	D227 S229	D227-S287 WeakPolarHBondContact O-CA 3.29Å; S229-S287 PolarHBondContact N-OG 3.37Å
288	L	92.1	Very high	96.5	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.037	9%	0.094	C	C	.	.			trans	-130.3	134.6	176.8	174.6	162.2	0	0	0	108.7	R161 D227 K228 Y286	R161-L288 VanDerWaalsContact NH1-CG 3.29Å; R161-L288 VanDerWaalsContact NH2-CD1 3.34Å; D227-L288 CarbonylContact C-O 3.59Å; D227-L288 VanDerWaalsContact C-O 3.25Å; D227-L288 HydrophobicContact CB-CB 4.1Å; D227-L288 HydrophobicContact CB-CD2 3.99Å; D227-L288 PolarHBondContact O-N 3.32Å; K228-L288 WeakPolarHBondContact CA-O 3.25Å; K228-L288 VanDerWaalsContact CB-O 3.24Å; K228-L288 WeakPolarHBondContact CB-O 3.35Å; K228-L288 PolarHBondContact N-O 3.35Å; K228-L288 VanDerWaalsContact N-O 3.13Å; Y286-L288 HydrophobicContact CD2-CB 4.49Å; Y286-L288 HydrophobicContact CE2-CB 4.18Å; Y286-L288 HydrophobicContact CE2-CD1 4.18Å; Y286-L288 PolarHBondContact O-N 2.81Å
289	S	94.3	Very high	96.4	Very high	44 Å²	44	19.9 Å²	19.9	31%	0.308	10%	0.103	S	C	.	.			trans	-119.8	162.4	173.2	64.1	0	0	0	0	110.9	R161 D165 G291	R161-S289 WeakPolarHBondContact CD-O 3.46Å; D165-S289 WeakPolarHBondContact OD2-CB 3.12Å; S289-G291 PolarHBondContact O-N 3.18Å
290	K	97.2	Very high	96.4	Very high	66 Å²	66	19.7 Å²	19.7	29%	0.287	10%	0.103	S	C	.	.	S	Bend	trans	60.7	28.7	179.8	-60.3	179.1	62.9	59	0	112.9	N160 R161 N162 F163 D165	N160-K290 CarbonylContact C-O 3.51Å; R161-K290 CarbonylContact C-O 3.33Å; R161-K290 VanDerWaalsContact C-O 3.25Å; R161-K290 VanDerWaalsContact CA-O 3.3Å; R161-K290 WeakPolarHBondContact CA-O 3.08Å; R161-K290 PolarHBondContact N-O 2.85Å; R161-K290 WeakPolarHBondContact O-CB 3.3Å; R161-K290 WeakPolarHBondContact O-CD 3.13Å; R161-K290 WeakPolarHBondContact O-CE 3.21Å; N162-K290 PolarHBondContact N-O 3.11Å; N162-K290 VanDerWaalsContact N-O 3.15Å; N162-K290 PolarHBondContact O-NZ 3.01Å; F163-K290 PolarHBondContact N-O 3.42Å; F163-K290 WeakPolarHBondContact O-CA 3.28Å; F163-K290 WeakPolarHBondContact O-CB 3.42Å; F163-K290 VanDerWaalsContact O-CG 3.23Å; F163-K290 WeakPolarHBondContact O-CG 3.45Å; F163-K290 PolarHBondContact O-NZ 3.24Å; D165-K290 HydrophobicContact CB-CG 3.82Å
291	G	98.3	Very high	96.5	Very high	5 Å²	5	19.4 Å²	19.4	5%	0.052	10%	0.101	C	C	.	.			trans	-85.5	157.5	176.2	0	0	0	0	0	112.8	N160 S289 F295	N160-G291 WeakPolarHBondContact O-CA 3.48Å; N160-G291 WeakPolarHBondContact OD1-CA 3.44Å; S289-G291 PolarHBondContact O-N 3.18Å; G291-F295 WeakPolarHBondContact O-CB 3.17Å
292	M	98.9	Very high	96.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-70.9	-36.4	-180	-171.6	168.5	68.8	0	0	112.5	V82 M85 M129 N160 F163 V200 N214 F295 N296	V82-M292 HydrophobicContact CB-CE 4.1Å; V82-M292 HydrophobicContact CG1-CE 3.99Å; V82-M292 HydrophobicContact CG2-CE 4.46Å; M85-M292 HydrophobicContact CE-CB 4.09Å; M85-M292 HydrophobicContact CE-CE 4.36Å; M85-M292 HydrophobicContact CE-SD 4.42Å; M85-M292 HydrophobicContact SD-CE 4.15Å; M129-M292 HydrophobicContact CE-SD 4.42Å; M129-M292 HydrophobicContact SD-SD 3.92Å; N160-M292 PolarHBondContact OD1-N 3.48Å; F163-M292 HydrophobicContact CD2-CB 3.92Å; F163-M292 HydrophobicContact CD2-CG 4.49Å; F163-M292 HydrophobicContact CE1-CB 4.33Å; F163-M292 HydrophobicContact CE1-CG 3.89Å; F163-M292 HydrophobicContact CE1-SD 4.45Å; F163-M292 HydrophobicContact CE2-CB 3.53Å; F163-M292 HydrophobicContact CE2-CG 3.8Å; F163-M292 HydrophobicContact CE2-SD 4.1Å; F163-M292 HydrophobicContact CG-CB 4.49Å; F163-M292 HydrophobicContact CZ-CB 3.76Å; F163-M292 HydrophobicContact CZ-CG 3.45Å; F163-M292 VanDerWaalsContact CZ-CG 3.45Å; F163-M292 HydrophobicContact CZ-SD 3.63Å; V200-M292 HydrophobicContact CG1-SD 3.9Å; N214-M292 HydrophobicContact CB-CE 3.35Å; M292-F295 WeakPolarHBondContact O-CB 3.24Å; M292-F295 PolarHBondContact O-N 3.46Å; M292-N296 PolarHBondContact O-N 3.06Å; M292-N296 PolarHBondContact O-ND2 3.03Å
293	Q	98.8	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.6	-59.5	-175.5	-173.5	-165.2	-97.7	0	0	112.1	N223 P225 D227 F295 N296 E304 T306	N223-Q293 PolarHBondContact ND2-NE2 3.37Å; N223-Q293 PolarHBondContact ND2-OE1 2.87Å; N223-Q293 PolarHBondContact O-OE1 2.74Å; N223-Q293 VanDerWaalsContact O-OE1 3.12Å; P225-Q293 HydrophobicContact CG-CG 3.84Å; D227-Q293 PolarHBondContact OD1-NE2 2.9Å; D227-Q293 PolarHBondContact OD2-NE2 3.42Å; Q293-F295 PolarHBondContact O-N 3.32Å; Q293-N296 PolarHBondContact O-N 3.08Å; Q293-E304 WeakPolarHBondContact CA-OE1 3.45Å; Q293-E304 HydrophobicContact CG-CB 4.49Å; Q293-E304 HydrophobicContact CG-CG 4.49Å; Q293-E304 VanDerWaalsContact CG-O 3.26Å; Q293-E304 WeakPolarHBondContact CG-O 3.33Å; Q293-T306 PolarHBondContact OE1-OG1 2.98Å
294	D	98.6	Very high	96.8	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-30	178.8	-71.8	10.1	0	0	0	111.8	N167 Y226 D227 K228 Y297 L298	N167-D294 PolarHBondContact ND2-OD2 3.34Å; Y226-D294 HydrophobicContact CD1-CB 4.33Å; D227-D294 VanDerWaalsContact N-CG 3.29Å; D227-D294 PolarHBondContact N-OD1 3.25Å; D227-D294 PolarHBondContact N-OD2 3.28Å; K228-D294 PolarHBondContact N-OD2 3.03Å; D294-Y297 PolarHBondContact O-N 3.44Å; D294-L298 WeakPolarHBondContact O-CB 3.27Å; D294-L298 VanDerWaalsContact O-CG 3.27Å; D294-L298 WeakPolarHBondContact O-CG 3.3Å; D294-L298 PolarHBondContact O-N 3.1Å
295	F	98.7	Very high	97.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	9%	0.088	C	C	.	.	H	α-helix	trans	-63.1	-43.2	176.7	-176.4	-96.1	0	0	0	112.2	F163 P164 L166 L185 I201 I204 G291 M292 Q293 Y297 L298 Y299	F163-F295 HydrophobicContact CB-CB 4.12Å; F163-F295 HydrophobicContact CB-CD2 4.18Å; F163-F295 HydrophobicContact CB-CG 4.14Å; F163-F295 HydrophobicContact CD1-CB 4.04Å; F163-F295 AromaticContact CD1-CD1 3.54Å; F163-F295 HydrophobicContact CD1-CD1 3.54Å; F163-F295 HydrophobicContact CD1-CD2 4.27Å; F163-F295 HydrophobicContact CD1-CE1 4Å; F163-F295 AromaticContact CD1-CG 3.68Å; F163-F295 HydrophobicContact CD1-CG 3.68Å; F163-F295 HydrophobicContact CE1-CD1 4.05Å; F163-F295 HydrophobicContact CE1-CE1 4.43Å; F163-F295 HydrophobicContact CG-CB 4.31Å; F163-F295 HydrophobicContact CG-CG 4.29Å; P164-F295 HydrophobicContact CB-CD2 4.35Å; P164-F295 HydrophobicContact CB-CE2 3.91Å; P164-F295 HydrophobicContact CG-CD2 4.47Å; P164-F295 HydrophobicContact CG-CE2 3.77Å; P164-F295 HydrophobicContact CG-CZ 4.46Å; L166-F295 HydrophobicContact CD1-CD2 3.77Å; L166-F295 HydrophobicContact CD1-CE2 3.83Å; L166-F295 HydrophobicContact CG-CD2 4.1Å; L166-F295 HydrophobicContact CG-CE2 4.28Å; L185-F295 HydrophobicContact CD1-CZ 4.16Å; L185-F295 HydrophobicContact CD2-CE2 3.51Å; L185-F295 HydrophobicContact CD2-CZ 3.73Å; I201-F295 HydrophobicContact CB-CE1 4.41Å; I201-F295 HydrophobicContact CD1-CE1 4.27Å; I201-F295 HydrophobicContact CD1-CZ 3.99Å; I201-F295 HydrophobicContact CG1-CE1 3.68Å; I201-F295 HydrophobicContact CG1-CZ 3.86Å; I201-F295 HydrophobicContact CG2-CE1 4.19Å; I201-F295 HydrophobicContact CG2-CZ 4.04Å; I204-F295 HydrophobicContact CD1-CD1 3.79Å; I204-F295 HydrophobicContact CD1-CE1 3.66Å; G291-F295 WeakPolarHBondContact O-CB 3.17Å; M292-F295 WeakPolarHBondContact O-CB 3.24Å; M292-F295 PolarHBondContact O-N 3.46Å; Q293-F295 PolarHBondContact O-N 3.32Å; F295-Y297 PolarHBondContact O-N 2.74Å; F295-L298 PolarHBondContact O-N 2.79Å; F295-Y299 HydrophobicContact CD1-CD1 4.47Å; F295-Y299 AromaticContact CE1-CD1 3.49Å; F295-Y299 HydrophobicContact CE1-CD1 3.49Å; F295-Y299 VanDerWaalsContact CE1-CD1 3.49Å; F295-Y299 HydrophobicContact CE1-CE1 4.28Å; F295-Y299 HydrophobicContact CE1-CG 4.01Å; F295-Y299 HydrophobicContact CE2-CD1 4.36Å; F295-Y299 HydrophobicContact CE2-CG 4.19Å; F295-Y299 AromaticContact CZ-CD1 3.42Å; F295-Y299 HydrophobicContact CZ-CD1 3.42Å; F295-Y299 VanDerWaalsContact CZ-CD1 3.42Å; F295-Y299 HydrophobicContact CZ-CD2 4.49Å; F295-Y299 HydrophobicContact CZ-CE1 4.03Å; F295-Y299 AromaticContact CZ-CG 3.69Å; F295-Y299 HydrophobicContact CZ-CG 3.69Å; F295-Y299 WeakPolarHBondContact O-CB 3.3Å; F295-Y299 PolarHBondContact O-N 3.48Å
296	N	98.9	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.5	-52.5	176.3	-82.8	-94.6	0	0	0	111	K80 M292 Q293 L298 T300 C302 E304	K80-N296 WeakPolarHBondContact CE-OD1 3.37Å; K80-N296 PolarHBondContact NZ-OD1 3.11Å; M292-N296 PolarHBondContact O-N 3.06Å; M292-N296 PolarHBondContact O-ND2 3.03Å; Q293-N296 PolarHBondContact O-N 3.08Å; N296-L298 PolarHBondContact O-N 2.93Å; N296-T300 PolarHBondContact O-N 2.82Å; N296-T300 PolarHBondContact O-OG1 3.29Å; N296-C302 CarbonylContact C-O 3.58Å; N296-C302 HydrophobicContact CB-CB 4.16Å; N296-E304 HydrophobicContact CB-CB 3.8Å; N296-E304 PolarHBondContact ND2-OE1 2.75Å; N296-E304 VanDerWaalsContact ND2-OE1 3.14Å; N296-E304 PolarHBondContact ND2-OE2 3.34Å; N296-E304 VanDerWaalsContact ND2-OE2 3.14Å
297	Y	98.6	Very high	97.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.9	-36.6	-176.4	-175.3	-112.3	0	0	0	112.5	Y226 T245 D247 F251 D294 F295 C302 F303 H366	Y226-Y297 AromaticContact CE1-CD1 3.77Å; Y226-Y297 HydrophobicContact CE1-CD1 3.77Å; Y226-Y297 HydrophobicContact CE1-CE1 4.15Å; Y226-Y297 AromaticContact CZ-CD1 3.99Å; Y226-Y297 AromaticContact CZ-CE1 3.88Å; Y226-Y297 VanDerWaalsContact OH-CE1 3.28Å; Y226-Y297 WeakPolarHBondContact OH-CE1 3.35Å; T245-Y297 HydrophobicContact CG2-CD1 4.37Å; T245-Y297 HydrophobicContact CG2-CE1 3.98Å; D247-Y297 HydrophobicContact CB-CE2 4.44Å; D247-Y297 PolarHBondContact OD2-OH 3.2Å; F251-Y297 AromaticContact CE2-CD2 3.87Å; F251-Y297 HydrophobicContact CE2-CD2 3.87Å; F251-Y297 AromaticContact CE2-CE2 3.68Å; F251-Y297 HydrophobicContact CE2-CE2 3.68Å; F251-Y297 HydrophobicContact CE2-CG 4.37Å; F251-Y297 AromaticContact CZ-CD2 3.71Å; F251-Y297 HydrophobicContact CZ-CD2 3.71Å; F251-Y297 AromaticContact CZ-CE2 3.98Å; F251-Y297 HydrophobicContact CZ-CE2 3.98Å; F251-Y297 HydrophobicContact CZ-CG 4.19Å; D294-Y297 PolarHBondContact O-N 3.44Å; F295-Y297 PolarHBondContact O-N 2.74Å; Y297-C302 WeakPolarHBondContact CA-O 3.37Å; Y297-C302 PolarHBondContact N-O 3.21Å; Y297-F303 HydrophobicContact CD2-CD1 4.16Å; Y297-F303 HydrophobicContact CD2-CE1 4.15Å; Y297-F303 HydrophobicContact CD2-CG 4.41Å; Y297-F303 HydrophobicContact CD2-CZ 4.37Å; Y297-F303 AromaticContact CE2-CD1 3.95Å; Y297-F303 HydrophobicContact CE2-CD1 3.95Å; Y297-F303 AromaticContact CE2-CE1 3.53Å; Y297-F303 HydrophobicContact CE2-CE1 3.53Å; Y297-F303 HydrophobicContact CE2-CE2 4.43Å; Y297-F303 AromaticContact CE2-CZ 3.78Å; Y297-F303 HydrophobicContact CE2-CZ 3.78Å; Y297-H366 AromaticContact CD2-CE1 3.98Å; Y297-H366 AromaticContact CD2-NE2 3.6Å; Y297-H366 AromaticContact CE1-ND1 4Å; Y297-H366 AromaticContact CE2-CD2 3.24Å; Y297-H366 WeakPolarHBondContact CE2-CD2 3.39Å; Y297-H366 AromaticContact CE2-CE1 3.75Å; Y297-H366 AromaticContact CE2-CG 3.82Å; Y297-H366 AromaticContact CE2-NE2 3.21Å; Y297-H366 WeakPolarHBondContact CE2-NE2 3.32Å; Y297-H366 AromaticContact CZ-CD2 3.4Å; Y297-H366 VanDerWaalsContact CZ-CD2 3.4Å; Y297-H366 AromaticContact CZ-CE1 3.85Å; Y297-H366 AromaticContact CZ-CG 3.47Å; Y297-H366 VanDerWaalsContact CZ-CG 3.47Å; Y297-H366 AromaticContact CZ-ND1 3.75Å; Y297-H366 AromaticContact CZ-NE2 3.67Å; Y297-H366 PolarHBondContact O-CE1 2.9Å; Y297-H366 WeakPolarHBondContact OH-CB 3.43Å; Y297-H366 PolarHBondContact OH-CD2 2.87Å; Y297-H366 VanDerWaalsContact OH-CG 3.25Å
298	L	97.8	Very high	98.1	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-85.1	-26.7	-177	-66.1	175.7	0	0	0	113.8	L166 N167 M170 H182 I183 Y226 D294 F295 N296	L166-L298 HydrophobicContact CB-CB 3.77Å; L166-L298 HydrophobicContact CB-CD1 3.71Å; L166-L298 HydrophobicContact CB-CG 4.39Å; L166-L298 HydrophobicContact CD1-CB 3.94Å; N167-L298 HydrophobicContact CB-CD1 4.39Å; M170-L298 HydrophobicContact SD-CD2 3.7Å; H182-L298 PolarHBondContact N-O 2.84Å; H182-L298 VanDerWaalsContact N-O 3.14Å; I183-L298 HydrophobicContact CD1-CB 4.28Å; I183-L298 HydrophobicContact CD1-CD2 4.18Å; I183-L298 PolarHBondContact N-O 2.83Å; Y226-L298 HydrophobicContact CE1-CD1 4.17Å; Y226-L298 HydrophobicContact CE1-CD2 3.88Å; Y226-L298 HydrophobicContact CE1-CG 4.07Å; Y226-L298 WeakPolarHBondContact OH-CD2 3.46Å; D294-L298 WeakPolarHBondContact O-CB 3.27Å; D294-L298 VanDerWaalsContact O-CG 3.27Å; D294-L298 WeakPolarHBondContact O-CG 3.3Å; D294-L298 PolarHBondContact O-N 3.1Å; F295-L298 PolarHBondContact O-N 2.79Å; N296-L298 PolarHBondContact O-N 2.93Å
299	Y	98.3	Very high	98.4	Very high	50 Å²	50	10.1 Å²	10.1	20%	0.196	5%	0.052	C	C	.	.	H	α-helix	trans	-100.5	-26.3	-174.9	-172	-127.1	0	0	0	114.3	L166 I183 L185 I201 I204 S205 F295	L166-Y299 HydrophobicContact CD1-CD2 4.37Å; L166-Y299 HydrophobicContact CD1-CG 4.36Å; I183-Y299 VanDerWaalsContact O-CD2 3.28Å; I183-Y299 WeakPolarHBondContact O-CD2 3.3Å; L185-Y299 HydrophobicContact CD1-CE1 3.93Å; L185-Y299 HydrophobicContact CD1-CE2 3.9Å; L185-Y299 HydrophobicContact CD2-CD2 3.59Å; L185-Y299 HydrophobicContact CD2-CE2 3.62Å; L185-Y299 HydrophobicContact CD2-CG 4.1Å; L185-Y299 HydrophobicContact CG-CD2 3.94Å; L185-Y299 HydrophobicContact CG-CE1 4.32Å; L185-Y299 HydrophobicContact CG-CE2 3.39Å; I201-Y299 HydrophobicContact CG2-CE1 4.15Å; I204-Y299 HydrophobicContact CD1-CD1 4.47Å; S205-Y299 WeakPolarHBondContact OG-CE1 3.3Å; F295-Y299 HydrophobicContact CD1-CD1 4.47Å; F295-Y299 AromaticContact CE1-CD1 3.49Å; F295-Y299 HydrophobicContact CE1-CD1 3.49Å; F295-Y299 VanDerWaalsContact CE1-CD1 3.49Å; F295-Y299 HydrophobicContact CE1-CE1 4.28Å; F295-Y299 HydrophobicContact CE1-CG 4.01Å; F295-Y299 HydrophobicContact CE2-CD1 4.36Å; F295-Y299 HydrophobicContact CE2-CG 4.19Å; F295-Y299 AromaticContact CZ-CD1 3.42Å; F295-Y299 HydrophobicContact CZ-CD1 3.42Å; F295-Y299 VanDerWaalsContact CZ-CD1 3.42Å; F295-Y299 HydrophobicContact CZ-CD2 4.49Å; F295-Y299 HydrophobicContact CZ-CE1 4.03Å; F295-Y299 AromaticContact CZ-CG 3.69Å; F295-Y299 HydrophobicContact CZ-CG 3.69Å; F295-Y299 WeakPolarHBondContact O-CB 3.3Å; F295-Y299 PolarHBondContact O-N 3.48Å
300	T	98.7	Very high	98.6	Very high	12 Å²	12	8.2 Å²	8.2	7%	0.074	4%	0.039	C	C	.	.	S	Bend	trans	-132.3	-171.4	-172	73.1	0	0	0	0	111	I204 N296 C302	I204-T300 HydrophobicContact CB-CG2 4.42Å; I204-T300 HydrophobicContact CD1-CG2 3.8Å; I204-T300 HydrophobicContact CG1-CG2 3.97Å; N296-T300 PolarHBondContact O-N 2.82Å; N296-T300 PolarHBondContact O-OG1 3.29Å; T300-C302 VanDerWaalsContact C-N 3.29Å; T300-C302 VanDerWaalsContact OG1-CB 3.27Å; T300-C302 WeakPolarHBondContact OG1-CB 3.23Å; T300-C302 PolarHBondContact OG1-N 3.22Å
301	N	98.9	Very high	98.5	Very high	9 Å²	9	8.1 Å²	8.1	5%	0.048	5%	0.046	C	C	.	.	S	Bend	trans	-81.4	-6.3	168.1	-69.1	-45.4	0	0	0	113.5	H182 N208 F209 F303 V368 T369	H182-N301 PolarHBondContact CE1-OD1 3.12Å; H182-N301 VanDerWaalsContact CE1-OD1 3.26Å; N208-N301 PolarHBondContact OD1-ND2 2.94Å; F209-N301 CarbonylContact O-C 3.57Å; N301-F303 WeakPolarHBondContact O-CD2 3.47Å; N301-F303 WeakPolarHBondContact O-CE2 3.46Å; N301-F303 PolarHBondContact O-N 3.09Å; N301-V368 HydrophobicContact CB-CG1 4.32Å; N301-V368 WeakPolarHBondContact OD1-CA 3.26Å; N301-V368 WeakPolarHBondContact OD1-CB 3.24Å; N301-V368 WeakPolarHBondContact OD1-CG1 3.26Å; N301-T369 PolarHBondContact ND2-O 3.21Å; N301-T369 VanDerWaalsContact ND2-O 3.12Å; N301-T369 PolarHBondContact ND2-OG1 2.95Å; N301-T369 PolarHBondContact OD1-N 3.3Å; N301-T369 PolarHBondContact OD1-OG1 2.98Å
302	C	98.9	Very high	98.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.			trans	-79.2	123.5	-166.4	-171.6	0	0	0	0	112.9	F209 S212 N296 Y297 T300 E304	F209-C302 HydrophobicContact CB-CB 3.84Å; F209-C302 WeakPolarHBondContact O-CA 3.49Å; F209-C302 VanDerWaalsContact O-CB 3.24Å; F209-C302 WeakPolarHBondContact O-CB 3.39Å; F209-C302 PolarHBondContact O-N 3.12Å; S212-C302 WeakPolarHBondContact CB-SG 3.43Å; N296-C302 CarbonylContact C-O 3.58Å; N296-C302 HydrophobicContact CB-CB 4.16Å; Y297-C302 WeakPolarHBondContact CA-O 3.37Å; Y297-C302 PolarHBondContact N-O 3.21Å; T300-C302 VanDerWaalsContact C-N 3.29Å; T300-C302 VanDerWaalsContact OG1-CB 3.27Å; T300-C302 WeakPolarHBondContact OG1-CB 3.23Å; T300-C302 PolarHBondContact OG1-N 3.22Å; C302-E304 PolarHBondContact O-N 2.79Å
303	F	98.9	Very high	98.2	Very high	2 Å²	2	12 Å²	12	1%	0.009	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	104.4	172	-70.7	-114.7	0	0	0	108.3	V210 L211 S212 D247 L250 F251 Y297 N301 H366 V368 L379	V210-F303 PolarHBondContact O-N 3.42Å; L211-F303 HydrophobicContact CD1-CB 4.3Å; L211-F303 WeakPolarHBondContact CD1-O 3.32Å; S212-F303 PolarHBondContact N-O 3.46Å; D247-F303 HydrophobicContact CB-CE1 3.78Å; L250-F303 HydrophobicContact CD2-CD1 3.83Å; L250-F303 HydrophobicContact CD2-CE1 3.63Å; L250-F303 HydrophobicContact CD2-CZ 4.46Å; F251-F303 HydrophobicContact CE1-CB 4.07Å; F251-F303 HydrophobicContact CE1-CD1 4.1Å; F251-F303 AromaticContact CE2-CD1 3.81Å; F251-F303 HydrophobicContact CE2-CD1 3.81Å; F251-F303 HydrophobicContact CE2-CE1 4.23Å; F251-F303 HydrophobicContact CZ-CB 4.09Å; F251-F303 AromaticContact CZ-CD1 3.53Å; F251-F303 HydrophobicContact CZ-CD1 3.53Å; F251-F303 HydrophobicContact CZ-CE1 4.35Å; F251-F303 HydrophobicContact CZ-CG 4.15Å; Y297-F303 HydrophobicContact CD2-CD1 4.16Å; Y297-F303 HydrophobicContact CD2-CE1 4.15Å; Y297-F303 HydrophobicContact CD2-CG 4.41Å; Y297-F303 HydrophobicContact CD2-CZ 4.37Å; Y297-F303 AromaticContact CE2-CD1 3.95Å; Y297-F303 HydrophobicContact CE2-CD1 3.95Å; Y297-F303 AromaticContact CE2-CE1 3.53Å; Y297-F303 HydrophobicContact CE2-CE1 3.53Å; Y297-F303 HydrophobicContact CE2-CE2 4.43Å; Y297-F303 AromaticContact CE2-CZ 3.78Å; Y297-F303 HydrophobicContact CE2-CZ 3.78Å; N301-F303 WeakPolarHBondContact O-CD2 3.47Å; N301-F303 WeakPolarHBondContact O-CE2 3.46Å; N301-F303 PolarHBondContact O-N 3.09Å; F303-H366 AromaticContact CZ-CD2 3.96Å; F303-V368 HydrophobicContact CE2-CG1 4.45Å; F303-L379 HydrophobicContact CB-CD1 4.27Å; F303-L379 HydrophobicContact CD2-CD1 4.43Å; F303-L379 HydrophobicContact CG-CD1 4.27Å
304	E	98.9	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.7	179.1	-171.6	165.3	101.4	0	0	112.1	K80 S212 N214 P225 Q293 N296 C302	K80-E304 IonicContact NZ-OE2 2.74Å; K80-E304 PolarHBondContact NZ-OE2 3.16Å; S212-E304 WeakPolarHBondContact CB-OE2 3.38Å; S212-E304 WeakPolarHBondContact O-CA 3.47Å; S212-E304 PolarHBondContact OG-OE2 3.28Å; N214-E304 PolarHBondContact ND2-OE1 2.65Å; P225-E304 WeakPolarHBondContact CD-O 3.29Å; Q293-E304 WeakPolarHBondContact CA-OE1 3.45Å; Q293-E304 HydrophobicContact CG-CB 4.49Å; Q293-E304 HydrophobicContact CG-CG 4.49Å; Q293-E304 VanDerWaalsContact CG-O 3.26Å; Q293-E304 WeakPolarHBondContact CG-O 3.33Å; N296-E304 HydrophobicContact CB-CB 3.8Å; N296-E304 PolarHBondContact ND2-OE1 2.75Å; N296-E304 VanDerWaalsContact ND2-OE1 3.14Å; N296-E304 PolarHBondContact ND2-OE2 3.34Å; N296-E304 VanDerWaalsContact ND2-OE2 3.14Å; C302-E304 PolarHBondContact O-N 2.79Å
305	I	98.9	Very high	98	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	161.7	165.1	68.6	169.8	0	0	0	111	S212 A213 N214 N223 F251 L307 F334	S212-I305 PolarHBondContact O-N 3.31Å; S212-I305 VanDerWaalsContact O-N 3.12Å; A213-I305 CarbonylContact C-O 3.58Å; A213-I305 WeakPolarHBondContact CA-O 3.35Å; A213-I305 HydrophobicContact CB-CG1 3.84Å; A213-I305 WeakPolarHBondContact CB-O 3.3Å; N214-I305 PolarHBondContact N-O 3.29Å; N223-I305 WeakPolarHBondContact O-CB 3.03Å; F251-I305 HydrophobicContact CD1-CG2 3.79Å; F251-I305 HydrophobicContact CE1-CG2 4.18Å; I305-L307 HydrophobicContact CD1-CD2 3.67Å; I305-L307 HydrophobicContact CD1-CG 4.27Å; I305-L307 HydrophobicContact CG1-CD2 4.25Å; I305-L307 HydrophobicContact CG1-CG 4.36Å; I305-F334 HydrophobicContact CD1-CD2 4.01Å; I305-F334 HydrophobicContact CD1-CE2 3.26Å; I305-F334 HydrophobicContact CD1-CZ 3.69Å; I305-F334 HydrophobicContact CG1-CE2 3.77Å; I305-F334 HydrophobicContact CG1-CZ 3.61Å
306	T	98.9	Very high	97.8	Very high	7 Å²	7	13.1 Å²	13.1	4%	0.043	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126	176.6	-59.9	0	0	0	0	109.4	N214 H216 N223 Q293	N214-T306 PolarHBondContact ND2-OG1 3.15Å; N214-T306 VanDerWaalsContact ND2-OG1 3.08Å; N214-T306 WeakPolarHBondContact O-CA 3.21Å; N214-T306 VanDerWaalsContact OD1-CG2 3.3Å; N214-T306 WeakPolarHBondContact OD1-CG2 3.19Å; N214-T306 PolarHBondContact OD1-OG1 3.42Å; H216-T306 HydrophobicContact CB-CG2 4.41Å; N223-T306 WeakPolarHBondContact CA-O 3.33Å; N223-T306 HydrophobicContact CB-CG2 4.39Å; N223-T306 WeakPolarHBondContact CB-O 3.48Å; N223-T306 PolarHBondContact N-O 3.35Å; N223-T306 PolarHBondContact O-N 2.91Å; Q293-T306 PolarHBondContact OE1-OG1 2.98Å
307	L	98.9	Very high	97.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.3	-176.8	-63.3	173	0	0	0	110	Y81 A213 N214 H216 A222 Y258 I305 L309	Y81-L307 HydrophobicContact CE1-CD1 4.33Å; A213-L307 HydrophobicContact CB-CD1 3.59Å; A213-L307 HydrophobicContact CB-CG 3.95Å; N214-L307 PolarHBondContact O-N 3.01Å; H216-L307 PolarHBondContact N-O 3.17Å; A222-L307 HydrophobicContact CB-CD2 3.81Å; Y258-L307 HydrophobicContact CD1-CD1 4.3Å; Y258-L307 HydrophobicContact CD1-CD2 3.69Å; Y258-L307 HydrophobicContact CD2-CD1 3.53Å; Y258-L307 HydrophobicContact CD2-CD2 4.05Å; Y258-L307 HydrophobicContact CD2-CG 4.45Å; Y258-L307 HydrophobicContact CE1-CD1 4.19Å; Y258-L307 HydrophobicContact CE1-CD2 4.18Å; Y258-L307 HydrophobicContact CE2-CD1 3.39Å; Y258-L307 HydrophobicContact CG-CD1 4Å; Y258-L307 HydrophobicContact CG-CD2 3.62Å; Y258-L307 HydrophobicContact CG-CG 4.46Å; I305-L307 HydrophobicContact CD1-CD2 3.67Å; I305-L307 HydrophobicContact CD1-CG 4.27Å; I305-L307 HydrophobicContact CG1-CD2 4.25Å; I305-L307 HydrophobicContact CG1-CG 4.36Å; L307-L309 HydrophobicContact CB-CD2 3.78Å; L307-L309 HydrophobicContact CB-CG 4.45Å
308	E	98.8	Very high	97.5	Very high	11 Å²	11	24.3 Å²	24.3	5%	0.051	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.3	171.3	-66.4	-75.8	179	0	0	108.6	H216 G217 A219 V220 V221 M265 W285	H216-E308 VanDerWaalsContact CB-CD 3.43Å; H216-E308 HydrophobicContact CB-CG 4.32Å; H216-E308 WeakPolarHBondContact CB-OE1 3.48Å; H216-E308 WeakPolarHBondContact CB-OE2 3.07Å; G217-E308 WeakPolarHBondContact CA-OE2 3.38Å; G217-E308 PolarHBondContact N-OE2 3.02Å; A219-E308 HydrophobicContact CB-CB 3.94Å; A219-E308 HydrophobicContact CB-CG 4.14Å; A219-E308 CarbonylContact O-C 3.24Å; V220-E308 VanDerWaalsContact CA-O 3.27Å; V220-E308 WeakPolarHBondContact CA-O 3.06Å; V221-E308 HydrophobicContact CG1-CB 3.95Å; V221-E308 HydrophobicContact CG1-CG 4.03Å; V221-E308 PolarHBondContact N-O 3.2Å; V221-E308 VanDerWaalsContact N-O 3.1Å; V221-E308 WeakPolarHBondContact O-CB 3.22Å; V221-E308 PolarHBondContact O-N 3.33Å; M265-E308 VanDerWaalsContact CE-O 3.27Å; M265-E308 WeakPolarHBondContact CE-O 3.05Å; W285-E308 HydrophobicContact CH2-CG 4.03Å; W285-E308 HydrophobicContact CZ3-CG 4Å
309	L	98.6	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.			trans	-105.9	-26	-163.3	-57.1	-177.6	0	0	0	114.3	L91 L95 L215 H216 Y258 M265 L307	L91-L309 HydrophobicContact CD2-CB 3.79Å; L91-L309 HydrophobicContact CG-CB 4.38Å; L95-L309 HydrophobicContact CD1-CD1 3.55Å; L215-L309 HydrophobicContact CB-CD1 3.97Å; L215-L309 HydrophobicContact CD2-CD1 3.74Å; L215-L309 HydrophobicContact CG-CD1 3.94Å; H216-L309 PolarHBondContact O-N 3.3Å; Y258-L309 HydrophobicContact CE1-CD2 3.92Å; M265-L309 HydrophobicContact CE-CD2 4.35Å; L307-L309 HydrophobicContact CB-CD2 3.78Å; L307-L309 HydrophobicContact CB-CG 4.45Å
310	S	97.7	Very high	97.3	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.028	13%	0.131	C	C	.	.			trans	-151.5	143.9	-175.8	55.2	0	0	0	0	112.4	G218 A219 N312	G218-S310 PolarHBondContact N-O 3.12Å; A219-S310 PolarHBondContact N-O 3.22Å; A219-S310 CarbonylContact O-C 3.58Å; A219-S310 VanDerWaalsContact O-C 3.24Å; A219-S310 PolarHBondContact O-N 3.42Å; A219-S310 VanDerWaalsContact O-N 3.12Å; S310-N312 WeakPolarHBondContact CB-O 3.29Å; S310-N312 PolarHBondContact OG-O 2.77Å
311	C	95.7	Very high	97.2	Very high	64 Å²	64	29.9 Å²	29.9	43%	0.432	15%	0.153	S	C	.	.	S	Bend	trans	-63.7	-43.9	172	-48.8	0	0	0	0	111.5	C271 K313	C271-C311 WeakPolarHBondContact CA-SG 3.49Å; C271-C311 HydrophobicContact CB-CB 3.74Å; C271-C311 WeakPolarHBondContact CB-SG 3.43Å; C271-C311 PolarHBondContact N-SG 3.45Å; C271-C311 VanDerWaalsContact N-SG 3.42Å; C271-C311 WeakPolarHBondContact SG-CA 3.34Å; C271-C311 WeakPolarHBondContact SG-CB 3.35Å; C271-C311 CovalentContact SG-SG 2.03Å; C271-C311 PolarHBondContact SG-SG 3Å; C311-K313 PolarHBondContact O-N 3.5Å
312	N	95.4	Very high	97.2	Very high	74 Å²	74	36.5 Å²	36.5	40%	0.396	18%	0.178	S	C	.	.	S	Bend	trans	-78.2	119.2	171.6	-172.4	-6.5	0	0	0	108.4	S310 F314 P315	S310-N312 WeakPolarHBondContact CB-O 3.29Å; S310-N312 PolarHBondContact OG-O 2.77Å; N312-F314 VanDerWaalsContact C-N 3.27Å; N312-F314 PolarHBondContact ND2-O 3.25Å; N312-F314 VanDerWaalsContact ND2-O 3.16Å; N312-F314 PolarHBondContact O-N 2.73Å; N312-F314 VanDerWaalsContact OD1-C 3.29Å; N312-F314 PolarHBondContact OD1-N 2.85Å; N312-F314 PolarHBondContact OD1-O 3.13Å; N312-P315 WeakPolarHBondContact ND2-CA 3.4Å
313	K	96.1	Very high	97.2	Very high	14 Å²	14	37.3 Å²	37.3	6%	0.061	18%	0.181	C	C	.	.	S	Bend	trans	-66	-33.3	179.5	-60	-164.6	167.1	-154.4	0	112.2	N88 E89 V90 Y147 G217 C311	N88-K313 CarbonylContact O-C 3.34Å; N88-K313 VanDerWaalsContact O-CB 3.28Å; N88-K313 WeakPolarHBondContact O-CB 3.44Å; E89-K313 CarbonylContact C-O 3.57Å; E89-K313 WeakPolarHBondContact CA-O 3.25Å; E89-K313 HydrophobicContact CG-CB 4.12Å; E89-K313 HydrophobicContact CG-CD 3.79Å; E89-K313 HydrophobicContact CG-CG 4.14Å; E89-K313 IonicContact OE1-NZ 3.8Å; E89-K313 PolarHBondContact OE1-NZ 3.01Å; V90-K313 PolarHBondContact N-O 3.46Å; Y147-K313 HydrophobicContact CE2-CD 4.34Å; Y147-K313 VanDerWaalsContact CE2-CE 3.47Å; Y147-K313 WeakPolarHBondContact OH-CE 3.38Å; G217-K313 WeakPolarHBondContact O-CE 3.25Å; C311-K313 PolarHBondContact O-N 3.5Å
314	F	97	Very high	97.1	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.018	18%	0.184	C	C	.	.	S	Bend	trans	-126.1	75.2	178.5	-153.9	-40.3	0	0	0	108	H25 V90 A137 A138 P142 I145 N312	H25-F314 AromaticContact CD2-CE1 3.58Å; H25-F314 AromaticContact CE1-CD1 3.86Å; H25-F314 AromaticContact CE1-CE1 3.57Å; H25-F314 AromaticContact CG-CE1 3.69Å; H25-F314 AromaticContact ND1-CE1 3.7Å; H25-F314 AromaticContact NE2-CD1 3.85Å; H25-F314 AromaticContact NE2-CE1 3.48Å; H25-F314 WeakPolarHBondContact NE2-CE1 3.26Å; V90-F314 HydrophobicContact CB-CD1 4.14Å; V90-F314 HydrophobicContact CB-CD2 4.34Å; V90-F314 HydrophobicContact CB-CE1 4.34Å; V90-F314 HydrophobicContact CB-CG 4.13Å; V90-F314 HydrophobicContact CG1-CD1 4.27Å; V90-F314 HydrophobicContact CG1-CE1 4.07Å; V90-F314 HydrophobicContact CG1-CZ 4.34Å; V90-F314 HydrophobicContact CG2-CB 4.35Å; V90-F314 HydrophobicContact CG2-CD1 4Å; V90-F314 HydrophobicContact CG2-CD2 3.37Å; V90-F314 HydrophobicContact CG2-CE1 4.08Å; V90-F314 HydrophobicContact CG2-CE2 3.49Å; V90-F314 VanDerWaalsContact CG2-CE2 3.49Å; V90-F314 HydrophobicContact CG2-CG 3.65Å; V90-F314 HydrophobicContact CG2-CZ 3.84Å; A137-F314 HydrophobicContact CB-CD2 4.23Å; A137-F314 HydrophobicContact CB-CE2 4.05Å; A138-F314 HydrophobicContact CB-CE2 4.29Å; A138-F314 HydrophobicContact CB-CZ 4.22Å; P142-F314 HydrophobicContact CB-CD1 3.92Å; P142-F314 HydrophobicContact CB-CE1 4.42Å; I145-F314 HydrophobicContact CD1-CD2 3.67Å; I145-F314 HydrophobicContact CD1-CE2 4.39Å; I145-F314 HydrophobicContact CG2-CB 3.8Å; I145-F314 HydrophobicContact CG2-CD2 4.35Å; I145-F314 HydrophobicContact CG2-CG 4.37Å; N312-F314 VanDerWaalsContact C-N 3.27Å; N312-F314 PolarHBondContact ND2-O 3.25Å; N312-F314 VanDerWaalsContact ND2-O 3.16Å; N312-F314 PolarHBondContact O-N 2.73Å; N312-F314 VanDerWaalsContact OD1-C 3.29Å; N312-F314 PolarHBondContact OD1-N 2.85Å; N312-F314 PolarHBondContact OD1-O 3.13Å
315	P	95.4	Very high	97.1	Very high	2 Å²	2	43 Å²	43	1%	0.013	21%	0.208	C	C	.	.			trans	-61.2	148	179.4	28.8	-34.3	0	0	0	110.3	H25 L91 N312 D319 L320	H25-P315 PolarHBondContact CE1-O 2.87Å; H25-P315 PolarHBondContact NE2-O 3.02Å; L91-P315 HydrophobicContact CB-CG 4.16Å; L91-P315 HydrophobicContact CD1-CG 4.4Å; N312-P315 WeakPolarHBondContact ND2-CA 3.4Å; P315-D319 HydrophobicContact CB-CB 4.33Å; P315-L320 HydrophobicContact CG-CD2 4.27Å
316	P	94.7	Very high	97.1	Very high	22 Å²	22	43.5 Å²	43.5	14%	0.143	21%	0.213	C	C	.	.			trans	-67.3	159.4	176.3	33.4	-38	0	0	0	111.2	E318 D319	P316-E318 VanDerWaalsContact C-N 3.27Å; P316-E318 HydrophobicContact CB-CG 4.47Å; P316-E318 HydrophobicContact CG-CG 4.27Å; P316-E318 PolarHBondContact O-N 3.26Å; P316-D319 HydrophobicContact CG-CB 4.39Å; P316-D319 WeakPolarHBondContact O-CB 3.48Å; P316-D319 PolarHBondContact O-N 3.37Å
317	E	94.8	Very high	97.1	Very high	78 Å²	78	43.1 Å²	43.1	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-59.9	-35.8	-173.2	-67.2	-175.5	159.4	0	0	112.6	L24 H25 D319 L320	L24-E317 VanDerWaalsContact CD2-OE2 3.26Å; L24-E317 WeakPolarHBondContact CD2-OE2 3.37Å; H25-E317 WeakPolarHBondContact CD2-CG 3.37Å; H25-E317 IonicContact CD2-OE1 3.52Å; H25-E317 IonicContact CG-OE1 3.88Å; H25-E317 PolarHBondContact N-OE1 2.75Å; E317-D319 PolarHBondContact O-N 3.03Å; E317-D319 VanDerWaalsContact O-N 3.11Å; E317-L320 HydrophobicContact CB-CD1 4.42Å; E317-L320 HydrophobicContact CG-CD1 4.39Å; E317-L320 WeakPolarHBondContact O-CB 3.33Å; E317-L320 PolarHBondContact O-N 3.14Å
318	E	94.9	Very high	97.1	Very high	157 Å²	157	47.4 Å²	47.4	73%	0.734	23%	0.227	S	C	*	.	H	α-helix	trans	-62.1	-19.3	177.8	63.7	-95.6	-154.4	0	0	114.3	P316	P316-E318 VanDerWaalsContact C-N 3.27Å; P316-E318 HydrophobicContact CB-CG 4.47Å; P316-E318 HydrophobicContact CG-CG 4.27Å; P316-E318 PolarHBondContact O-N 3.26Å
319	D	95.8	Very high	97.1	Very high	56 Å²	56	50.9 Å²	50.9	30%	0.299	24%	0.243	S	C	.	.	H	α-helix	trans	-87.9	-18.1	177.3	-83.4	-27	0	0	0	112.6	P315 P316 E317 E321 R322 Q323	P315-D319 HydrophobicContact CB-CB 4.33Å; P316-D319 HydrophobicContact CG-CB 4.39Å; P316-D319 WeakPolarHBondContact O-CB 3.48Å; P316-D319 PolarHBondContact O-N 3.37Å; E317-D319 PolarHBondContact O-N 3.03Å; E317-D319 VanDerWaalsContact O-N 3.11Å; D319-E321 PolarHBondContact O-N 2.7Å; D319-R322 WeakPolarHBondContact O-CB 3.06Å; D319-R322 PolarHBondContact O-N 2.98Å; D319-R322 VanDerWaalsContact O-N 3.17Å; D319-Q323 VanDerWaalsContact O-CG 3.29Å; D319-Q323 WeakPolarHBondContact O-CG 3.13Å; D319-Q323 PolarHBondContact O-N 2.86Å
320	L	97.1	Very high	97.1	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-40.8	-169.8	-70.3	178.8	0	0	0	113	F23 L91 E94 P315 E317 R322 Q323 W324	F23-L320 HydrophobicContact CB-CB 3.91Å; F23-L320 HydrophobicContact CD1-CB 4.2Å; F23-L320 HydrophobicContact CG-CB 4.46Å; L91-L320 HydrophobicContact CD1-CD2 4.08Å; E94-L320 HydrophobicContact CB-CD2 4.31Å; E94-L320 HydrophobicContact CG-CD1 4.49Å; E94-L320 HydrophobicContact CG-CD2 4.3Å; P315-L320 HydrophobicContact CG-CD2 4.27Å; E317-L320 HydrophobicContact CB-CD1 4.42Å; E317-L320 HydrophobicContact CG-CD1 4.39Å; E317-L320 WeakPolarHBondContact O-CB 3.33Å; E317-L320 PolarHBondContact O-N 3.14Å; L320-R322 PolarHBondContact O-N 2.84Å; L320-Q323 PolarHBondContact O-N 3.41Å; L320-W324 WeakPolarHBondContact O-CB 3.47Å; L320-W324 PolarHBondContact O-N 3.39Å
321	E	97.4	Very high	97.2	Very high	116 Å²	116	50.7 Å²	50.7	54%	0.542	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-46.1	176.4	-178.7	174.7	-170.2	0	0	111.4	F23 D319 Q323 W324 M325	F23-E321 HydrophobicContact CB-CB 4.44Å; F23-E321 HydrophobicContact CD1-CB 4.16Å; F23-E321 HydrophobicContact CD2-CB 3.52Å; F23-E321 HydrophobicContact CD2-CG 3.86Å; F23-E321 HydrophobicContact CE1-CB 4.31Å; F23-E321 HydrophobicContact CE2-CB 3.66Å; F23-E321 HydrophobicContact CE2-CG 3.48Å; F23-E321 VanDerWaalsContact CE2-CG 3.48Å; F23-E321 HydrophobicContact CG-CB 3.78Å; F23-E321 HydrophobicContact CZ-CB 4.06Å; F23-E321 HydrophobicContact CZ-CG 3.89Å; D319-E321 PolarHBondContact O-N 2.7Å; E321-Q323 VanDerWaalsContact C-N 3.29Å; E321-Q323 PolarHBondContact O-N 3.5Å; E321-W324 PolarHBondContact O-N 3.03Å; E321-M325 WeakPolarHBondContact O-CG 3.29Å; E321-M325 PolarHBondContact O-N 2.85Å
322	R	97.8	Very high	97.3	Very high	149 Å²	149	47.8 Å²	47.8	56%	0.562	22%	0.222	S	C	*	.	H	α-helix	trans	-62.6	-40.1	178.4	179.6	-178.1	170.7	-140	-6.6	111.1	W264 D319 L320 A326	W264-R322 HydrophobicContact CH2-CG 4.36Å; D319-R322 WeakPolarHBondContact O-CB 3.06Å; D319-R322 PolarHBondContact O-N 2.98Å; D319-R322 VanDerWaalsContact O-N 3.17Å; L320-R322 PolarHBondContact O-N 2.84Å; R322-A326 WeakPolarHBondContact O-CB 3.39Å; R322-A326 PolarHBondContact O-N 2.8Å; R322-A326 VanDerWaalsContact O-N 3.13Å
323	Q	98.4	Very high	97.5	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.075	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-42.6	177.3	-65.3	-68.5	-3.6	0	0	111.7	L91 D319 L320 E321 A326 N327	L91-Q323 HydrophobicContact CD1-CB 3.53Å; L91-Q323 HydrophobicContact CD1-CG 3.88Å; L91-Q323 HydrophobicContact CD2-CB 3.98Å; L91-Q323 HydrophobicContact CD2-CG 3.87Å; L91-Q323 HydrophobicContact CG-CB 4.39Å; D319-Q323 VanDerWaalsContact O-CG 3.29Å; D319-Q323 WeakPolarHBondContact O-CG 3.13Å; D319-Q323 PolarHBondContact O-N 2.86Å; L320-Q323 PolarHBondContact O-N 3.41Å; E321-Q323 VanDerWaalsContact C-N 3.29Å; E321-Q323 PolarHBondContact O-N 3.5Å; Q323-A326 PolarHBondContact O-N 2.91Å; Q323-N327 WeakPolarHBondContact O-CB 3.5Å; Q323-N327 PolarHBondContact O-N 3.03Å; Q323-N327 VanDerWaalsContact O-N 3.08Å; Q323-N327 PolarHBondContact O-ND2 3.47Å
324	W	98.6	Very high	97.6	Very high	15 Å²	15	44.2 Å²	44.2	6%	0.057	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-51.1	173.9	167.5	-116.4	0	0	0	111.6	F23 L95 Q98 L99 F102 L320 E321 A326 N327 R328 L331	F23-W324 HydrophobicContact CD1-CB 4.49Å; F23-W324 HydrophobicContact CE1-CB 3.61Å; F23-W324 AromaticContact CE1-CD1 3.76Å; F23-W324 AromaticContact CE1-CG 3.81Å; F23-W324 HydrophobicContact CE1-CG 3.81Å; F23-W324 HydrophobicContact CZ-CB 4.25Å; F23-W324 AromaticContact CZ-CD1 3.62Å; F23-W324 HydrophobicContact CZ-CG 4.15Å; L95-W324 HydrophobicContact CD2-CB 4.11Å; L95-W324 HydrophobicContact CD2-CE3 3.91Å; Q98-W324 HydrophobicContact CB-CD2 3.89Å; Q98-W324 HydrophobicContact CB-CE3 3.62Å; Q98-W324 HydrophobicContact CB-CG 4.49Å; Q98-W324 HydrophobicContact CB-CH2 4.37Å; Q98-W324 HydrophobicContact CB-CZ3 3.89Å; L99-W324 HydrophobicContact CB-CH2 4.33Å; L99-W324 HydrophobicContact CB-CZ3 4.15Å; L99-W324 HydrophobicContact CD1-CH2 4.39Å; F102-W324 HydrophobicContact CB-CH2 3.76Å; F102-W324 HydrophobicContact CB-CZ2 3.64Å; F102-W324 HydrophobicContact CD1-CH2 4.37Å; F102-W324 HydrophobicContact CD2-CZ2 4.03Å; F102-W324 HydrophobicContact CG-CH2 4.01Å; F102-W324 AromaticContact CG-CZ2 3.81Å; F102-W324 HydrophobicContact CG-CZ2 3.81Å; L320-W324 WeakPolarHBondContact O-CB 3.47Å; L320-W324 PolarHBondContact O-N 3.39Å; E321-W324 PolarHBondContact O-N 3.03Å; W324-A326 PolarHBondContact O-N 2.95Å; W324-A326 VanDerWaalsContact O-N 3.16Å; W324-N327 PolarHBondContact O-N 3.21Å; W324-R328 HydrophobicContact CD2-CB 4.14Å; W324-R328 HydrophobicContact CE3-CB 4.24Å; W324-R328 HydrophobicContact CH2-CB 3.92Å; W324-R328 HydrophobicContact CH2-CG 3.63Å; W324-R328 HydrophobicContact CZ2-CB 3.81Å; W324-R328 HydrophobicContact CZ2-CG 3.44Å; W324-R328 VanDerWaalsContact CZ2-CG 3.44Å; W324-R328 HydrophobicContact CZ3-CB 4.14Å; W324-R328 HydrophobicContact CZ3-CG 4.34Å; W324-R328 WeakPolarHBondContact O-CB 3.41Å; W324-R328 PolarHBondContact O-N 3.31Å; W324-L331 HydrophobicContact CZ3-CD1 4Å
325	M	98.5	Very high	97.7	Very high	106 Å²	106	44 Å²	44	52%	0.522	21%	0.205	S	C	.	.	H	α-helix	trans	-61.6	-28.3	-179.8	-67.8	-62.9	-81.4	0	0	112.8	E321	E321-M325 WeakPolarHBondContact O-CG 3.29Å; E321-M325 PolarHBondContact O-N 2.85Å
326	A	98.6	Very high	97.9	Very high	11 Å²	11	47.1 Å²	47.1	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-79.5	-24.2	175.9	0	0	0	0	0	114.4	H262 G263 W264 R322 Q323 W324	H262-A326 WeakPolarHBondContact CA-O 3.48Å; H262-A326 PolarHBondContact CD2-O 2.95Å; G263-A326 PolarHBondContact N-O 2.79Å; W264-A326 HydrophobicContact CE3-CB 3.98Å; W264-A326 HydrophobicContact CH2-CB 3.28Å; W264-A326 HydrophobicContact CZ2-CB 4.04Å; W264-A326 HydrophobicContact CZ3-CB 3.26Å; R322-A326 WeakPolarHBondContact O-CB 3.39Å; R322-A326 PolarHBondContact O-N 2.8Å; R322-A326 VanDerWaalsContact O-N 3.13Å; Q323-A326 PolarHBondContact O-N 2.91Å; W324-A326 PolarHBondContact O-N 2.95Å; W324-A326 VanDerWaalsContact O-N 3.16Å
327	N	98.9	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-106	-25.9	-174.5	-77.5	-86.5	0	0	0	113.8	L95 Y258 H262 Q323 W324 E329 A330 L331	L95-N327 HydrophobicContact CD1-CB 3.92Å; L95-N327 HydrophobicContact CD2-CB 4.11Å; Y258-N327 PolarHBondContact OH-OD1 2.84Å; H262-N327 VanDerWaalsContact CD2-CG 3.42Å; H262-N327 PolarHBondContact CD2-OD1 3.38Å; H262-N327 PolarHBondContact NE2-ND2 3.41Å; H262-N327 VanDerWaalsContact NE2-ND2 3.16Å; H262-N327 PolarHBondContact NE2-OD1 3.46Å; Q323-N327 WeakPolarHBondContact O-CB 3.5Å; Q323-N327 PolarHBondContact O-N 3.03Å; Q323-N327 VanDerWaalsContact O-N 3.08Å; Q323-N327 PolarHBondContact O-ND2 3.47Å; W324-N327 PolarHBondContact O-N 3.21Å; N327-E329 VanDerWaalsContact C-N 3.34Å; N327-E329 PolarHBondContact O-N 3.27Å; N327-A330 WeakPolarHBondContact O-CA 3.45Å; N327-A330 WeakPolarHBondContact O-CB 3.49Å; N327-A330 PolarHBondContact O-N 2.94Å; N327-L331 HydrophobicContact CB-CD1 4.16Å; N327-L331 HydrophobicContact CB-CG 4.47Å; N327-L331 WeakPolarHBondContact O-CG 3.4Å; N327-L331 PolarHBondContact O-N 2.97Å
328	R	98.6	Very high	98.2	Very high	89 Å²	89	43.5 Å²	43.5	34%	0.336	20%	0.2	S	C	.	.	H	α-helix	trans	-50.1	-50.1	-173.4	178.7	-178.8	71.4	-169.9	-2.1	113.1	F102 W324 L331 V332	F102-R328 HydrophobicContact CE1-CG 4.5Å; F102-R328 HydrophobicContact CE2-CG 4.36Å; F102-R328 HydrophobicContact CZ-CG 4.33Å; W324-R328 HydrophobicContact CD2-CB 4.14Å; W324-R328 HydrophobicContact CE3-CB 4.24Å; W324-R328 HydrophobicContact CH2-CB 3.92Å; W324-R328 HydrophobicContact CH2-CG 3.63Å; W324-R328 HydrophobicContact CZ2-CB 3.81Å; W324-R328 HydrophobicContact CZ2-CG 3.44Å; W324-R328 VanDerWaalsContact CZ2-CG 3.44Å; W324-R328 HydrophobicContact CZ3-CB 4.14Å; W324-R328 HydrophobicContact CZ3-CG 4.34Å; W324-R328 WeakPolarHBondContact O-CB 3.41Å; W324-R328 PolarHBondContact O-N 3.31Å; R328-L331 PolarHBondContact O-N 2.76Å; R328-V332 WeakPolarHBondContact O-CG2 3.41Å; R328-V332 PolarHBondContact O-N 3.34Å
329	E	98.8	Very high	98.4	Very high	85 Å²	85	38 Å²	38	40%	0.397	18%	0.175	S	C	.	.	H	α-helix	trans	-65.3	-41.2	178.8	-179.3	55.8	-145.2	0	0	111.7	R113 A261 N327 L331 V332 A333	R113-E329 IonicContact CZ-OE1 3.49Å; R113-E329 IonicContact CZ-OE2 2.77Å; R113-E329 VanDerWaalsContact NH1-CD 3.29Å; R113-E329 IonicContact NH1-OE1 3.49Å; R113-E329 PolarHBondContact NH1-OE1 2.87Å; R113-E329 IonicContact NH1-OE2 3.75Å; R113-E329 PolarHBondContact NH1-OE2 3.37Å; R113-E329 IonicContact NH2-OE1 2.88Å; R113-E329 PolarHBondContact NH2-OE1 2.96Å; R113-E329 IonicContact NH2-OE2 3.01Å; A261-E329 HydrophobicContact CB-CG 4.33Å; N327-E329 VanDerWaalsContact C-N 3.34Å; N327-E329 PolarHBondContact O-N 3.27Å; E329-L331 PolarHBondContact O-N 3.27Å; E329-V332 PolarHBondContact O-N 3.49Å; E329-A333 WeakPolarHBondContact O-CB 3.34Å; E329-A333 PolarHBondContact O-N 3.19Å
330	A	98.9	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-38.9	179.3	0	0	0	0	0	112.8	Y258 A261 H262 N327 F334	Y258-A330 HydrophobicContact CD1-CB 3.93Å; Y258-A330 HydrophobicContact CD2-CB 3.83Å; Y258-A330 WeakPolarHBondContact CD2-O 3.27Å; Y258-A330 HydrophobicContact CE1-CB 3.82Å; Y258-A330 HydrophobicContact CE2-CB 3.72Å; Y258-A330 HydrophobicContact CG-CB 3.93Å; Y258-A330 WeakPolarHBondContact O-CB 3.32Å; A261-A330 HydrophobicContact CB-CB 3.84Å; H262-A330 HydrophobicContact CB-CB 4.18Å; N327-A330 WeakPolarHBondContact O-CA 3.45Å; N327-A330 WeakPolarHBondContact O-CB 3.49Å; N327-A330 PolarHBondContact O-N 2.94Å; A330-F334 WeakPolarHBondContact O-CB 3.25Å; A330-F334 PolarHBondContact O-N 3.16Å
331	L	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-49.5	175.7	-71.3	164.6	0	0	0	110.9	Y81 L95 L99 L215 Y258 W324 N327 R328 E329 F334 I335	Y81-L331 HydrophobicContact CD2-CD2 4.46Å; Y81-L331 HydrophobicContact CE1-CD2 4.26Å; Y81-L331 HydrophobicContact CE2-CB 4.39Å; Y81-L331 HydrophobicContact CE2-CD2 3.77Å; Y81-L331 WeakPolarHBondContact OH-CA 3.42Å; Y81-L331 PolarHBondContact OH-O 2.72Å; Y81-L331 VanDerWaalsContact OH-O 3.12Å; L95-L331 HydrophobicContact CB-CD1 4.35Å; L99-L331 HydrophobicContact CD1-CB 4.37Å; L99-L331 HydrophobicContact CD2-CB 4.32Å; L215-L331 HydrophobicContact CD2-CD2 4.35Å; Y258-L331 HydrophobicContact CE2-CD2 3.98Å; Y258-L331 HydrophobicContact CE2-CG 4.19Å; W324-L331 HydrophobicContact CZ3-CD1 4Å; N327-L331 HydrophobicContact CB-CD1 4.16Å; N327-L331 HydrophobicContact CB-CG 4.47Å; N327-L331 WeakPolarHBondContact O-CG 3.4Å; N327-L331 PolarHBondContact O-N 2.97Å; R328-L331 PolarHBondContact O-N 2.76Å; E329-L331 PolarHBondContact O-N 3.27Å; L331-F334 PolarHBondContact O-N 2.8Å; L331-I335 WeakPolarHBondContact O-CG1 3.4Å; L331-I335 PolarHBondContact O-N 2.91Å
332	V	98.9	Very high	98.6	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-47.9	179.1	178.2	0	0	0	0	111	L99 F102 L117 R328 E329 F334 I335 E336	L99-V332 HydrophobicContact CD1-CG2 4.37Å; F102-V332 HydrophobicContact CD1-CG2 4.48Å; F102-V332 HydrophobicContact CE1-CG2 3.8Å; L117-V332 HydrophobicContact CD2-CG1 4.11Å; R328-V332 WeakPolarHBondContact O-CG2 3.41Å; R328-V332 PolarHBondContact O-N 3.34Å; E329-V332 PolarHBondContact O-N 3.49Å; V332-F334 PolarHBondContact O-N 3.49Å; V332-I335 PolarHBondContact O-N 3.18Å; V332-I335 VanDerWaalsContact O-N 3.13Å; V332-E336 WeakPolarHBondContact O-CG 3.2Å; V332-E336 PolarHBondContact O-N 2.9Å; V332-E336 VanDerWaalsContact O-N 3.14Å
333	A	98.8	Very high	98.7	Very high	13 Å²	13	25.4 Å²	25.4	11%	0.107	12%	0.119	C	C	.	.	H	α-helix	trans	-60	-33.3	179.8	0	0	0	0	0	112.8	T257 A261 E329 E336 E337	T257-A333 HydrophobicContact CG2-CB 4.13Å; A261-A333 HydrophobicContact CB-CB 4.33Å; E329-A333 WeakPolarHBondContact O-CB 3.34Å; E329-A333 PolarHBondContact O-N 3.19Å; A333-E336 WeakPolarHBondContact CA-OE2 3.36Å; A333-E336 PolarHBondContact O-N 3.4Å; A333-E337 PolarHBondContact O-N 2.91Å
334	F	98.9	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-75.3	-33.5	177	-177.3	-92.5	0	0	0	113	F79 Y81 L211 S212 A213 L254 Y258 I305 A330 L331 V332 E336 E337	F79-F334 AromaticContact CE2-CD1 3.82Å; F79-F334 HydrophobicContact CE2-CD1 3.82Å; F79-F334 AromaticContact CE2-CE1 3.78Å; F79-F334 HydrophobicContact CE2-CE1 3.78Å; F79-F334 AromaticContact CZ-CD1 3.87Å; F79-F334 HydrophobicContact CZ-CD1 3.87Å; F79-F334 AromaticContact CZ-CE1 4Å; F79-F334 HydrophobicContact CZ-CE1 4Å; Y81-F334 AromaticContact CE1-CD1 3.89Å; Y81-F334 HydrophobicContact CE1-CD1 3.89Å; Y81-F334 HydrophobicContact CE1-CE1 4.23Å; Y81-F334 AromaticContact CZ-CD1 3.82Å; Y81-F334 WeakPolarHBondContact OH-CB 3.49Å; Y81-F334 VanDerWaalsContact OH-CD1 3.24Å; Y81-F334 WeakPolarHBondContact OH-CD1 3.39Å; L211-F334 HydrophobicContact CD1-CE1 4.34Å; L211-F334 HydrophobicContact CD1-CE2 4.4Å; L211-F334 HydrophobicContact CD1-CZ 3.78Å; L211-F334 HydrophobicContact CD2-CE1 4.13Å; L211-F334 HydrophobicContact CD2-CZ 4.16Å; L211-F334 VanDerWaalsContact CD2-O 3.27Å; L211-F334 WeakPolarHBondContact CD2-O 3.27Å; L211-F334 HydrophobicContact CG-CE1 3.99Å; L211-F334 HydrophobicContact CG-CZ 3.94Å; S212-F334 WeakPolarHBondContact O-CZ 3.45Å; A213-F334 HydrophobicContact CB-CD1 4.44Å; A213-F334 HydrophobicContact CB-CE1 3.77Å; A213-F334 HydrophobicContact CB-CZ 4.13Å; L254-F334 HydrophobicContact CB-CE2 4.2Å; Y258-F334 HydrophobicContact CD2-CB 3.9Å; Y258-F334 HydrophobicContact CD2-CG 4.28Å; I305-F334 HydrophobicContact CD1-CD2 4.01Å; I305-F334 HydrophobicContact CD1-CE2 3.26Å; I305-F334 HydrophobicContact CD1-CZ 3.69Å; I305-F334 HydrophobicContact CG1-CE2 3.77Å; I305-F334 HydrophobicContact CG1-CZ 3.61Å; A330-F334 WeakPolarHBondContact O-CB 3.25Å; A330-F334 PolarHBondContact O-N 3.16Å; L331-F334 PolarHBondContact O-N 2.8Å; V332-F334 PolarHBondContact O-N 3.49Å; F334-E336 VanDerWaalsContact C-N 3.28Å; F334-E336 PolarHBondContact O-N 2.93Å; F334-E337 WeakPolarHBondContact O-CB 3.38Å; F334-E337 PolarHBondContact O-N 2.74Å
335	I	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.4	-43	170.7	-59.3	164.7	0	0	0	109.4	F79 Y81 L99 L117 T121 I123 L331 V332 E337 I338	F79-I335 HydrophobicContact CD1-CG1 4.04Å; F79-I335 HydrophobicContact CD1-CG2 4.26Å; F79-I335 HydrophobicContact CD2-CB 4.48Å; F79-I335 HydrophobicContact CD2-CG1 4.48Å; F79-I335 HydrophobicContact CD2-CG2 4.21Å; F79-I335 HydrophobicContact CE1-CD1 4.4Å; F79-I335 HydrophobicContact CE1-CG1 3.63Å; F79-I335 HydrophobicContact CE2-CB 4.36Å; F79-I335 HydrophobicContact CE2-CG1 4.1Å; F79-I335 HydrophobicContact CG-CG1 4.47Å; F79-I335 HydrophobicContact CG-CG2 4.05Å; F79-I335 HydrophobicContact CZ-CB 4.42Å; F79-I335 HydrophobicContact CZ-CG1 3.67Å; Y81-I335 HydrophobicContact CE2-CD1 4.03Å; Y81-I335 HydrophobicContact CE2-CG1 3.82Å; L99-I335 HydrophobicContact CD2-CD1 4.39Å; L117-I335 HydrophobicContact CD1-CB 4.27Å; L117-I335 HydrophobicContact CD1-CG2 3.72Å; L117-I335 HydrophobicContact CD2-CB 4.23Å; L117-I335 HydrophobicContact CD2-CD1 4.26Å; L117-I335 HydrophobicContact CD2-CG2 4.08Å; L117-I335 HydrophobicContact CG-CG2 4.06Å; T121-I335 HydrophobicContact CG2-CG2 4.4Å; I123-I335 HydrophobicContact CD1-CG2 4.13Å; I123-I335 HydrophobicContact CG1-CG2 4.22Å; I123-I335 HydrophobicContact CG2-CD1 4.44Å; L331-I335 WeakPolarHBondContact O-CG1 3.4Å; L331-I335 PolarHBondContact O-N 2.91Å; V332-I335 PolarHBondContact O-N 3.18Å; V332-I335 VanDerWaalsContact O-N 3.13Å; I335-E337 PolarHBondContact O-N 2.85Å; I335-E337 VanDerWaalsContact O-N 3.13Å; I335-I338 WeakPolarHBondContact O-CB 3.44Å; I335-I338 WeakPolarHBondContact O-CG2 3.21Å; I335-I338 PolarHBondContact O-N 3.43Å; I335-I338 VanDerWaalsContact O-N 3.09Å
336	E	98.8	Very high	98.7	Very high	67 Å²	67	20.9 Å²	20.9	31%	0.313	10%	0.098	S	C	.	.	H	α-helix	trans	-60	-24.3	-179.8	-68.7	171.5	151.4	0	0	113.6	R113 L117 V332 A333 F334 I338 H339	R113-E336 WeakPolarHBondContact CG-OE1 3.1Å; R113-E336 IonicContact CZ-OE1 2.8Å; R113-E336 IonicContact CZ-OE2 2.8Å; R113-E336 IonicContact NE-OE1 2.74Å; R113-E336 PolarHBondContact NE-OE1 3.33Å; R113-E336 IonicContact NE-OE2 2.72Å; R113-E336 IonicContact NH2-OE1 3.89Å; R113-E336 PolarHBondContact NH2-OE1 2.98Å; R113-E336 IonicContact NH2-OE2 2.91Å; R113-E336 PolarHBondContact NH2-OE2 2.76Å; L117-E336 HydrophobicContact CD1-CG 3.74Å; V332-E336 WeakPolarHBondContact O-CG 3.2Å; V332-E336 PolarHBondContact O-N 2.9Å; V332-E336 VanDerWaalsContact O-N 3.14Å; A333-E336 WeakPolarHBondContact CA-OE2 3.36Å; A333-E336 PolarHBondContact O-N 3.4Å; F334-E336 VanDerWaalsContact C-N 3.28Å; F334-E336 PolarHBondContact O-N 2.93Å; E336-I338 PolarHBondContact O-N 3.46Å; E336-I338 VanDerWaalsContact O-N 3.16Å; E336-H339 PolarHBondContact O-N 3.22Å; E336-H339 VanDerWaalsContact O-N 3.09Å
337	E	98.6	Very high	98.7	Very high	19 Å²	19	21.1 Å²	21.1	9%	0.089	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-62.6	-18.1	175.7	-70.5	-72.4	140.6	0	0	114	L211 K253 L254 T257 A333 F334 I335 H339 Q340	L211-E337 HydrophobicContact CD2-CB 3.69Å; K253-E337 VanDerWaalsContact CD-OE2 3.23Å; K253-E337 WeakPolarHBondContact CD-OE2 3.44Å; K253-E337 WeakPolarHBondContact CE-OE2 3.41Å; K253-E337 IonicContact NZ-OE1 2.68Å; K253-E337 PolarHBondContact NZ-OE1 2.82Å; K253-E337 IonicContact NZ-OE2 2.73Å; K253-E337 PolarHBondContact NZ-OE2 3.44Å; L254-E337 HydrophobicContact CD2-CB 3.63Å; L254-E337 HydrophobicContact CD2-CG 3.99Å; L254-E337 WeakPolarHBondContact CD2-OE2 3.45Å; T257-E337 HydrophobicContact CG2-CG 3.72Å; T257-E337 WeakPolarHBondContact CG2-OE1 3.25Å; T257-E337 VanDerWaalsContact OG1-CD 3.25Å; T257-E337 PolarHBondContact OG1-OE1 3.09Å; A333-E337 PolarHBondContact O-N 2.91Å; F334-E337 WeakPolarHBondContact O-CB 3.38Å; F334-E337 PolarHBondContact O-N 2.74Å; I335-E337 PolarHBondContact O-N 2.85Å; I335-E337 VanDerWaalsContact O-N 3.13Å; E337-H339 PolarHBondContact O-N 2.93Å; E337-Q340 WeakPolarHBondContact O-CG 3.27Å; E337-Q340 PolarHBondContact OE2-NE2 3Å; E337-Q340 PolarHBondContact OE2-OE1 2.78Å
338	I	98.7	Very high	98.6	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.026	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22.2	175	-157.3	169.2	0	0	0	111.8	P77 E78 F79 T121 V210 L211 I335 E336 Q340 L379	P77-I338 HydrophobicContact CB-CD1 3.65Å; P77-I338 HydrophobicContact CB-CG1 3.78Å; P77-I338 HydrophobicContact CG-CD1 4.08Å; P77-I338 HydrophobicContact CG-CG1 4.07Å; P77-I338 HydrophobicContact CG-CG2 4.09Å; E78-I338 WeakPolarHBondContact O-CD1 3.42Å; F79-I338 HydrophobicContact CB-CD1 3.65Å; F79-I338 HydrophobicContact CD2-CD1 4.2Å; F79-I338 HydrophobicContact CG-CD1 4.44Å; T121-I338 HydrophobicContact CG2-CD1 4.32Å; T121-I338 HydrophobicContact CG2-CG2 3.95Å; V210-I338 HydrophobicContact CB-CD1 3.95Å; V210-I338 HydrophobicContact CB-CG1 3.93Å; V210-I338 HydrophobicContact CG1-CG1 4.04Å; L211-I338 HydrophobicContact CB-CB 4.14Å; L211-I338 HydrophobicContact CB-CD1 4.09Å; L211-I338 HydrophobicContact CB-CG1 3.89Å; L211-I338 HydrophobicContact CD2-CB 4.1Å; I335-I338 WeakPolarHBondContact O-CB 3.44Å; I335-I338 WeakPolarHBondContact O-CG2 3.21Å; I335-I338 PolarHBondContact O-N 3.43Å; I335-I338 VanDerWaalsContact O-N 3.09Å; E336-I338 PolarHBondContact O-N 3.46Å; E336-I338 VanDerWaalsContact O-N 3.16Å; I338-Q340 VanDerWaalsContact C-N 3.34Å; I338-Q340 PolarHBondContact O-N 3.49Å; I338-L379 WeakPolarHBondContact O-CD2 3.4Å
339	H	98.6	Very high	98.4	Very high	42 Å²	42	22.5 Å²	22.5	19%	0.194	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-94.2	47.5	-178.8	-64.3	-61.5	0	0	0	112.9	P77 D120 T121 E336 E337 P408	P77-H339 VanDerWaalsContact CG-CE1 3.47Å; P77-H339 WeakPolarHBondContact CG-CE1 3.18Å; D120-H339 PolarHBondContact O-CE1 2.99Å; T121-H339 PolarHBondContact OG1-NE2 2.75Å; E336-H339 PolarHBondContact O-N 3.22Å; E336-H339 VanDerWaalsContact O-N 3.09Å; E337-H339 PolarHBondContact O-N 2.93Å; H339-P408 VanDerWaalsContact C-CG 3.46Å; H339-P408 HydrophobicContact CB-CG 4.44Å; H339-P408 VanDerWaalsContact O-CD 3.26Å; H339-P408 WeakPolarHBondContact O-CD 3.43Å
340	Q	98	Very high	98.3	Very high	21 Å²	21	24.2 Å²	24.2	10%	0.098	12%	0.122	C	C	.	.			trans	-133.3	169.9	170.7	77.3	-171.3	-6.8	0	0	112.5	L250 E337 I338 L379	L250-Q340 VanDerWaalsContact CD1-NE2 3.32Å; E337-Q340 WeakPolarHBondContact O-CG 3.27Å; E337-Q340 PolarHBondContact OE2-NE2 3Å; E337-Q340 PolarHBondContact OE2-OE1 2.78Å; I338-Q340 VanDerWaalsContact C-N 3.34Å; I338-Q340 PolarHBondContact O-N 3.49Å; Q340-L379 HydrophobicContact CG-CD2 4.16Å
341	G	98.6	Very high	98.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	84.6	-130.9	179.4	0	0	0	0	0	113.1	R378 P408 S409	G341-R378 WeakPolarHBondContact CA-O 3.44Å; G341-P408 CarbonylContact O-C 3.48Å; G341-P408 VanDerWaalsContact O-CA 3.29Å; G341-P408 WeakPolarHBondContact O-CA 3.5Å; G341-S409 PolarHBondContact O-N 3.03Å
342	I	98.8	Very high	98	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149	178.1	65.7	178.4	0	0	0	110.8	Y376 R378 L380 V387 T401 V403 S409 V411	I342-Y376 HydrophobicContact CD1-CE2 4.08Å; I342-Y376 HydrophobicContact CG1-CE2 4.05Å; I342-R378 HydrophobicContact CD1-CB 4.22Å; I342-R378 HydrophobicContact CG1-CB 3.7Å; I342-R378 HydrophobicContact CG1-CG 4.39Å; I342-R378 PolarHBondContact N-O 3.37Å; I342-R378 PolarHBondContact O-N 3.34Å; I342-L380 HydrophobicContact CD1-CD1 4.26Å; I342-L380 HydrophobicContact CG1-CD1 4.25Å; I342-L380 HydrophobicContact CG2-CD1 4.43Å; I342-V387 HydrophobicContact CD1-CB 4.49Å; I342-V387 HydrophobicContact CD1-CG1 3.93Å; I342-V387 HydrophobicContact CD1-CG2 3.9Å; I342-T401 HydrophobicContact CG2-CG2 4Å; I342-V403 HydrophobicContact CG2-CG2 3.56Å; I342-S409 VanDerWaalsContact CA-O 3.31Å; I342-S409 WeakPolarHBondContact CA-O 3.45Å; I342-V411 HydrophobicContact CB-CG2 4.3Å; I342-V411 HydrophobicContact CG2-CG2 4.18Å
343	K	98.8	Very high	97.9	Very high	39 Å²	39	36.2 Å²	36.2	17%	0.17	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161	167.3	69.9	-178.4	-179	176.2	0	109.9	L75 Y376 F377 P408 S409 L410 V411	L75-K343 HydrophobicContact CB-CD 4.34Å; L75-K343 PolarHBondContact O-NZ 3.32Å; K343-Y376 VanDerWaalsContact CA-O 3.22Å; K343-Y376 WeakPolarHBondContact CA-O 3.27Å; K343-Y376 WeakPolarHBondContact CB-O 3.33Å; K343-F377 HydrophobicContact CB-CD1 3.7Å; K343-F377 HydrophobicContact CB-CE1 4.18Å; K343-F377 HydrophobicContact CB-CG 4.46Å; K343-F377 HydrophobicContact CD-CD1 4.02Å; K343-F377 HydrophobicContact CD-CE1 3.87Å; K343-P408 HydrophobicContact CD-CB 4.41Å; K343-P408 HydrophobicContact CD-CG 4.45Å; K343-P408 HydrophobicContact CG-CB 4.14Å; K343-S409 PolarHBondContact N-O 2.96Å; K343-S409 VanDerWaalsContact N-O 3.12Å; K343-L410 HydrophobicContact CG-CD2 3.8Å; K343-L410 WeakPolarHBondContact O-CA 3.44Å; K343-V411 PolarHBondContact O-N 3.45Å
344	G	98.7	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	-169.3	178.6	0	0	0	0	0	113.5	L75 D375 Y376 V411	L75-G344 VanDerWaalsContact CD2-C 3.44Å; L75-G344 VanDerWaalsContact CD2-CA 3.45Å; L75-G344 WeakPolarHBondContact CD2-O 3.38Å; G344-D375 CarbonylContact O-C 3.59Å; G344-D375 VanDerWaalsContact O-CA 3.22Å; G344-D375 WeakPolarHBondContact O-CA 3.48Å; G344-Y376 PolarHBondContact N-O 2.94Å; G344-Y376 VanDerWaalsContact N-O 3.1Å; G344-Y376 WeakPolarHBondContact O-CD1 3.17Å; G344-Y376 PolarHBondContact O-N 3.04Å; G344-V411 WeakPolarHBondContact CA-O 3.43Å
345	M	98.7	Very high	97.9	Very high	42 Å²	42	39 Å²	39	21%	0.207	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.8	178.9	-55.5	-57.7	-62	0	0	109.4	P74 L75 M373 G374 D375 H412 F413	P74-M345 HydrophobicContact CB-CE 4.3Å; P74-M345 HydrophobicContact CB-SD 4.13Å; L75-M345 HydrophobicContact CD2-CG 4.36Å; L75-M345 HydrophobicContact CD2-SD 3.76Å; L75-M345 HydrophobicContact CG-SD 3.99Å; M345-M373 WeakPolarHBondContact CE-O 3.37Å; M345-G374 CarbonylContact C-O 3.53Å; M345-D375 HydrophobicContact CE-CB 3.93Å; M345-D375 HydrophobicContact SD-CB 3.49Å; M345-D375 WeakPolarHBondContact SD-CB 3.46Å; M345-H412 PolarHBondContact N-ND1 3.24Å; M345-H412 VanDerWaalsContact N-ND1 3.16Å; M345-H412 CarbonylContact O-C 3.47Å; M345-H412 WeakPolarHBondContact O-CA 3.14Å; M345-F413 PolarHBondContact O-N 3.05Å
346	V	98.8	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.8	161.3	-170.8	0	0	0	0	107.4	G353 I354 A357 I359 G374 Y376 A389 F413 L415	V346-G353 WeakPolarHBondContact O-CA 3.19Å; V346-I354 HydrophobicContact CG1-CB 4.32Å; V346-I354 HydrophobicContact CG1-CD1 4.42Å; V346-I354 PolarHBondContact O-N 3.16Å; V346-A357 HydrophobicContact CB-CB 3.99Å; V346-A357 HydrophobicContact CG1-CB 3.64Å; V346-A357 HydrophobicContact CG2-CB 4.15Å; V346-I359 HydrophobicContact CG2-CD1 4.15Å; V346-I359 HydrophobicContact CG2-CG1 4.31Å; V346-G374 PolarHBondContact N-O 2.9Å; V346-Y376 HydrophobicContact CG2-CD1 3.96Å; V346-Y376 HydrophobicContact CG2-CE1 4.39Å; V346-A389 HydrophobicContact CG1-CB 4.41Å; V346-A389 HydrophobicContact CG2-CB 4.31Å; V346-F413 WeakPolarHBondContact CA-O 3.42Å; V346-F413 HydrophobicContact CG1-CB 4.27Å; V346-F413 HydrophobicContact CG2-CB 4.39Å; V346-F413 HydrophobicContact CG2-CD2 4.36Å; V346-L415 HydrophobicContact CG1-CD1 3.67Å; V346-L415 HydrophobicContact CG1-CG 3.84Å
347	S	98.3	Very high	97.8	Very high	17 Å²	17	38 Å²	38	12%	0.119	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	161.4	-176.2	64.3	0	0	0	0	112.9	N352 F413 Q414 L415	S347-N352 CarbonylContact C-O 3.45Å; S347-N352 WeakPolarHBondContact CA-O 3.36Å; S347-N352 VanDerWaalsContact CB-O 3.29Å; S347-N352 WeakPolarHBondContact CB-O 3.48Å; S347-F413 PolarHBondContact N-O 2.95Å; S347-Q414 CarbonylContact O-C 3.51Å; S347-Q414 VanDerWaalsContact O-CA 3.31Å; S347-Q414 WeakPolarHBondContact O-CA 3.28Å; S347-L415 PolarHBondContact O-N 2.81Å
348	D	96.8	Very high	97.8	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.08	23%	0.229	C	C	.	.			trans	-80.3	-179.7	170.6	74.6	4.9	0	0	0	112.2	N350 N351 N352 I354 Y394 Q414	D348-N350 PolarHBondContact O-N 3.01Å; D348-N350 VanDerWaalsContact O-N 3.14Å; D348-N350 VanDerWaalsContact OD1-C 3.27Å; D348-N350 VanDerWaalsContact OD1-CA 3.26Å; D348-N350 WeakPolarHBondContact OD1-CA 3.31Å; D348-N350 WeakPolarHBondContact OD1-CB 3.48Å; D348-N350 PolarHBondContact OD1-N 3.49Å; D348-N351 PolarHBondContact O-N 3.33Å; D348-N351 PolarHBondContact OD1-N 2.79Å; D348-N352 PolarHBondContact N-O 3.39Å; D348-N352 PolarHBondContact OD1-N 2.77Å; D348-N352 PolarHBondContact OD1-ND2 3.1Å; D348-N352 PolarHBondContact OD2-ND2 2.85Å; D348-I354 HydrophobicContact CB-CD1 4.21Å; D348-I354 HydrophobicContact CB-CG1 4.38Å; D348-Y394 HydrophobicContact CB-CE1 3.91Å; D348-Q414 WeakPolarHBondContact O-CG 3.35Å; D348-Q414 PolarHBondContact O-NE2 3.23Å; D348-Q414 VanDerWaalsContact O-NE2 3.11Å
349	E	95.1	Very high	97.8	Very high	103 Å²	103	38.4 Å²	38.4	48%	0.481	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.2	177	-65	-178.1	111.8	0	0	113.8	K416	E349-K416 HydrophobicContact CG-CB 4.43Å; E349-K416 HydrophobicContact CG-CG 4.01Å; E349-K416 WeakPolarHBondContact OE1-CG 3.4Å
350	N	95	Very high	97.8	Very high	120 Å²	120	38 Å²	38	64%	0.642	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	6.8	176.7	-54.7	-59.9	0	0	0	112.7	D348 N352	D348-N350 PolarHBondContact O-N 3.01Å; D348-N350 VanDerWaalsContact O-N 3.14Å; D348-N350 VanDerWaalsContact OD1-C 3.27Å; D348-N350 VanDerWaalsContact OD1-CA 3.26Å; D348-N350 WeakPolarHBondContact OD1-CA 3.31Å; D348-N350 WeakPolarHBondContact OD1-CB 3.48Å; D348-N350 PolarHBondContact OD1-N 3.49Å; N350-N352 VanDerWaalsContact C-N 3.28Å; N350-N352 PolarHBondContact O-N 3.45Å
351	N	94.6	Very high	97.8	Very high	124 Å²	124	37.2 Å²	37.2	66%	0.663	23%	0.226	S	C	*	.	S	Bend	trans	65.6	21.7	-174.8	-50.8	-53.3	0	0	0	114.7	D348 Q414	D348-N351 PolarHBondContact O-N 3.33Å; D348-N351 PolarHBondContact OD1-N 2.79Å; N351-Q414 PolarHBondContact OD1-NE2 3.21Å
352	N	96.6	Very high	97.8	Very high	93 Å²	93	44 Å²	44	50%	0.497	26%	0.258	S	S	.	.			trans	-79.7	134.6	168.5	-54.5	-57.3	0	0	0	109.2	S347 D348 N350	S347-N352 CarbonylContact C-O 3.45Å; S347-N352 WeakPolarHBondContact CA-O 3.36Å; S347-N352 VanDerWaalsContact CB-O 3.29Å; S347-N352 WeakPolarHBondContact CB-O 3.48Å; D348-N352 PolarHBondContact N-O 3.39Å; D348-N352 PolarHBondContact OD1-N 2.77Å; D348-N352 PolarHBondContact OD1-ND2 3.1Å; D348-N352 PolarHBondContact OD2-ND2 2.85Å; N350-N352 VanDerWaalsContact C-N 3.28Å; N350-N352 PolarHBondContact O-N 3.45Å
353	G	97.8	Very high	97.7	Very high	39 Å²	39	47.9 Å²	47.9	40%	0.402	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-60.8	137.9	174.3	0	0	0	0	0	112.2	V346 M373	V346-G353 WeakPolarHBondContact O-CA 3.19Å; G353-M373 WeakPolarHBondContact CA-O 3.46Å
354	I	98.5	Very high	97.7	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.082	30%	0.297	C	S	.	.			trans	-102.7	106.9	175.8	-58.8	173.3	0	0	0	107.7	V346 D348 A357 S370 G374 A391 Y394 L415	V346-I354 HydrophobicContact CG1-CB 4.32Å; V346-I354 HydrophobicContact CG1-CD1 4.42Å; V346-I354 PolarHBondContact O-N 3.16Å; D348-I354 HydrophobicContact CB-CD1 4.21Å; D348-I354 HydrophobicContact CB-CG1 4.38Å; I354-A357 HydrophobicContact CG2-CB 4.1Å; I354-S370 PolarHBondContact O-OG 2.97Å; I354-G374 WeakPolarHBondContact O-CA 3.27Å; I354-A391 HydrophobicContact CG2-CB 3.82Å; I354-Y394 HydrophobicContact CD1-CD1 3.92Å; I354-Y394 HydrophobicContact CD1-CD2 4.31Å; I354-Y394 HydrophobicContact CD1-CE1 3.66Å; I354-Y394 HydrophobicContact CD1-CE2 4.07Å; I354-Y394 HydrophobicContact CD1-CG 4.25Å; I354-L415 HydrophobicContact CD1-CB 4Å; I354-L415 HydrophobicContact CD1-CD1 4.15Å; I354-L415 HydrophobicContact CD1-CG 4.29Å
355	A	98.3	Very high	97.5	Very high	55 Å²	55	51.3 Å²	51.3	46%	0.455	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	144.5	174.9	0	0	0	0	0	111.8	A357 G371	A355-A357 PolarHBondContact O-N 3.24Å; A355-G371 VanDerWaalsContact CA-O 3.31Å; A355-G371 WeakPolarHBondContact CA-O 3.48Å
356	G	98.2	Very high	97.5	Very high	47 Å²	47	49.4 Å²	49.4	49%	0.485	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	15.7	177.2	0	0	0	0	0	114.8	S370	G356-S370 PolarHBondContact N-O 3.03Å; G356-S370 PolarHBondContact N-OG 3.46Å
357	A	98.6	Very high	97.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	32%	0.321	C	S	.	.			trans	-65.1	142	169.1	0	0	0	0	0	109.4	V346 I354 A355 I359 T369 S370 S390 A391	V346-A357 HydrophobicContact CB-CB 3.99Å; V346-A357 HydrophobicContact CG1-CB 3.64Å; V346-A357 HydrophobicContact CG2-CB 4.15Å; I354-A357 HydrophobicContact CG2-CB 4.1Å; A355-A357 PolarHBondContact O-N 3.24Å; A357-I359 WeakPolarHBondContact O-CD1 3.3Å; A357-T369 CarbonylContact O-C 3.25Å; A357-T369 WeakPolarHBondContact O-CA 3.43Å; A357-S370 WeakPolarHBondContact CB-OG 3.19Å; A357-S370 PolarHBondContact N-OG 3.46Å; A357-S370 PolarHBondContact O-N 3.47Å; A357-S390 CarbonylContact C-O 3.56Å; A357-S390 WeakPolarHBondContact CA-O 3.35Å; A357-A391 HydrophobicContact CB-CB 4.02Å
358	V	98.8	Very high	97.5	Very high	32 Å²	32	49.7 Å²	49.7	19%	0.194	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.8	-178.7	-179.4	0	0	0	0	109.8	D367 V368 T369 A389 S390	V358-D367 HydrophobicContact CG1-CB 3.68Å; V358-V368 WeakPolarHBondContact CA-O 3.19Å; V358-T369 HydrophobicContact CG2-CG2 4.47Å; V358-A389 CarbonylContact O-C 3.25Å; V358-A389 VanDerWaalsContact O-CA 3.3Å; V358-A389 WeakPolarHBondContact O-CA 3.31Å; V358-S390 PolarHBondContact N-O 3.28Å; V358-S390 PolarHBondContact O-N 3.11Å
359	I	98.8	Very high	97.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109	175.2	-58.4	85	0	0	0	108	V346 A357 V368 Y376 V387 T388	V346-I359 HydrophobicContact CG2-CD1 4.15Å; V346-I359 HydrophobicContact CG2-CG1 4.31Å; A357-I359 WeakPolarHBondContact O-CD1 3.3Å; I359-V368 HydrophobicContact CB-CG2 3.89Å; I359-V368 HydrophobicContact CD1-CG2 4.49Å; I359-V368 HydrophobicContact CG2-CG2 4.46Å; I359-V368 PolarHBondContact N-O 3.25Å; I359-V368 PolarHBondContact O-N 2.99Å; I359-V368 VanDerWaalsContact O-N 3.11Å; I359-Y376 HydrophobicContact CB-CD2 4.18Å; I359-Y376 HydrophobicContact CB-CE2 4.37Å; I359-Y376 HydrophobicContact CD1-CD1 4.12Å; I359-Y376 HydrophobicContact CD1-CD2 3.91Å; I359-Y376 HydrophobicContact CD1-CG 3.59Å; I359-Y376 HydrophobicContact CG1-CD1 4.06Å; I359-Y376 HydrophobicContact CG1-CD2 3.67Å; I359-Y376 HydrophobicContact CG1-CE1 4.35Å; I359-Y376 HydrophobicContact CG1-CE2 4.01Å; I359-Y376 HydrophobicContact CG1-CG 3.71Å; I359-Y376 HydrophobicContact CG2-CD2 4.11Å; I359-Y376 HydrophobicContact CG2-CE2 3.81Å; I359-V387 HydrophobicContact CG2-CG1 3.52Å; I359-T388 WeakPolarHBondContact CA-O 3.19Å
360	S	98.6	Very high	97.7	Very high	32 Å²	32	45.1 Å²	45.1	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.3	178.7	57.6	0	0	0	0	111.8	D367 V387 T388	S360-D367 WeakPolarHBondContact CA-OD1 3.46Å; S360-D367 WeakPolarHBondContact CB-OD1 3.25Å; S360-V387 CarbonylContact O-C 3.59Å; S360-V387 WeakPolarHBondContact O-CA 3.38Å; S360-T388 PolarHBondContact N-O 2.67Å; S360-T388 PolarHBondContact O-N 3.49Å; S360-T388 PolarHBondContact OG-O 2.76Å
361	V	98.6	Very high	97.9	Very high	5 Å²	5	40 Å²	40	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.9	179.2	-178.2	0	0	0	0	109.2	G363 I364 R378 L380 Y385 V387	V361-G363 PolarHBondContact O-N 3.5Å; V361-G363 VanDerWaalsContact O-N 3.16Å; V361-I364 HydrophobicContact CB-CB 4.36Å; V361-I364 HydrophobicContact CB-CD1 4.33Å; V361-I364 HydrophobicContact CG1-CD1 3.91Å; V361-I364 HydrophobicContact CG1-CG1 4.27Å; V361-I364 PolarHBondContact O-N 2.78Å; V361-R378 HydrophobicContact CG2-CG 4.07Å; V361-L380 HydrophobicContact CG1-CD2 4.4Å; V361-L380 HydrophobicContact CG2-CD1 4.32Å; V361-L380 HydrophobicContact CG2-CD2 4.47Å; V361-Y385 HydrophobicContact CG1-CD1 3.54Å; V361-Y385 HydrophobicContact CG1-CE1 4.36Å; V361-Y385 HydrophobicContact CG1-CG 4.13Å; V361-V387 HydrophobicContact CG2-CG1 4.41Å; V361-V387 HydrophobicContact CG2-CG2 4.41Å
362	Q	98.3	Very high	98	Very high	144 Å²	144	41.5 Å²	41.5	67%	0.673	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	124.1	-178.8	-173	178.8	3.9	0	0	111.1	T386	Q362-T386 WeakPolarHBondContact CB-O 3.45Å; Q362-T386 PolarHBondContact N-O 2.85Å; Q362-T386 VanDerWaalsContact OE1-CB 3.26Å; Q362-T386 PolarHBondContact OE1-OG1 3.14Å
363	G	96.8	Very high	98.1	Very high	83 Å²	83	40.4 Å²	40.4	86%	0.856	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-4	-180	0	0	0	0	0	115	V361	V361-G363 PolarHBondContact O-N 3.5Å; V361-G363 VanDerWaalsContact O-N 3.16Å
364	I	97.6	Very high	98.1	Very high	27 Å²	27	38.6 Å²	38.6	14%	0.138	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109.6	173.7	-53.9	178.5	0	0	0	108.1	P246 D247 V361 H366 L380 Y385	P246-I364 HydrophobicContact CB-CG2 4.12Å; D247-I364 WeakPolarHBondContact OD1-CG2 3.34Å; V361-I364 HydrophobicContact CB-CB 4.36Å; V361-I364 HydrophobicContact CB-CD1 4.33Å; V361-I364 HydrophobicContact CG1-CD1 3.91Å; V361-I364 HydrophobicContact CG1-CG1 4.27Å; V361-I364 PolarHBondContact O-N 2.78Å; I364-H366 PolarHBondContact O-N 3.12Å; I364-L380 HydrophobicContact CD1-CD2 3.5Å; I364-L380 VanDerWaalsContact CD1-CD2 3.5Å; I364-Y385 HydrophobicContact CD1-CE1 4.25Å
365	S	95.7	Very high	98.1	Very high	84 Å²	84	37.8 Å²	37.8	59%	0.587	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	54.5	-176.3	-175.3	0	0	0	0	112.3	P246	P246-S365 WeakPolarHBondContact CG-O 3.49Å
366	H	97.1	Very high	98.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	114.2	174.2	178	69.3	0	0	0	107	N180 P246 D247 Y297 F303 I364 R378	N180-H366 PolarHBondContact O-ND1 3.37Å; P246-H366 HydrophobicContact CB-CB 4.01Å; P246-H366 HydrophobicContact CG-CB 4.15Å; D247-H366 IonicContact OD2-CD2 3.42Å; D247-H366 PolarHBondContact OD2-CD2 3.49Å; D247-H366 IonicContact OD2-CG 3.79Å; Y297-H366 AromaticContact CD2-CE1 3.98Å; Y297-H366 AromaticContact CD2-NE2 3.6Å; Y297-H366 AromaticContact CE1-ND1 4Å; Y297-H366 AromaticContact CE2-CD2 3.24Å; Y297-H366 WeakPolarHBondContact CE2-CD2 3.39Å; Y297-H366 AromaticContact CE2-CE1 3.75Å; Y297-H366 AromaticContact CE2-CG 3.82Å; Y297-H366 AromaticContact CE2-NE2 3.21Å; Y297-H366 WeakPolarHBondContact CE2-NE2 3.32Å; Y297-H366 AromaticContact CZ-CD2 3.4Å; Y297-H366 VanDerWaalsContact CZ-CD2 3.4Å; Y297-H366 AromaticContact CZ-CE1 3.85Å; Y297-H366 AromaticContact CZ-CG 3.47Å; Y297-H366 VanDerWaalsContact CZ-CG 3.47Å; Y297-H366 AromaticContact CZ-ND1 3.75Å; Y297-H366 AromaticContact CZ-NE2 3.67Å; Y297-H366 PolarHBondContact O-CE1 2.9Å; Y297-H366 WeakPolarHBondContact OH-CB 3.43Å; Y297-H366 PolarHBondContact OH-CD2 2.87Å; Y297-H366 VanDerWaalsContact OH-CG 3.25Å; F303-H366 AromaticContact CZ-CD2 3.96Å; I364-H366 PolarHBondContact O-N 3.12Å; H366-R378 PolarHBondContact O-NH1 2.74Å; H366-R378 PolarHBondContact O-NH2 3.1Å
367	D	98.3	Very high	98.2	Very high	23 Å²	23	33.6 Å²	33.6	12%	0.123	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	161.5	-176.1	-54.2	-39.8	0	0	0	111.2	N180 H181 V358 S360	N180-D367 PolarHBondContact ND2-OD2 3.33Å; N180-D367 PolarHBondContact OD1-N 3.08Å; N180-D367 PolarHBondContact OD1-OD2 3.14Å; H181-D367 WeakPolarHBondContact CB-O 3.39Å; V358-D367 HydrophobicContact CG1-CB 3.68Å; S360-D367 WeakPolarHBondContact CA-OD1 3.46Å; S360-D367 WeakPolarHBondContact CB-OD1 3.25Å
368	V	98.8	Very high	98.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	164.2	169.3	-69.8	0	0	0	0	111.1	N301 F303 V358 I359 Y376 R378	N301-V368 HydrophobicContact CB-CG1 4.32Å; N301-V368 WeakPolarHBondContact OD1-CA 3.26Å; N301-V368 WeakPolarHBondContact OD1-CB 3.24Å; N301-V368 WeakPolarHBondContact OD1-CG1 3.26Å; F303-V368 HydrophobicContact CE2-CG1 4.45Å; V358-V368 WeakPolarHBondContact CA-O 3.19Å; I359-V368 HydrophobicContact CB-CG2 3.89Å; I359-V368 HydrophobicContact CD1-CG2 4.49Å; I359-V368 HydrophobicContact CG2-CG2 4.46Å; I359-V368 PolarHBondContact N-O 3.25Å; I359-V368 PolarHBondContact O-N 2.99Å; I359-V368 VanDerWaalsContact O-N 3.11Å; V368-Y376 HydrophobicContact CG2-CD2 4.45Å; V368-R378 HydrophobicContact CG2-CB 4.04Å; V368-R378 HydrophobicContact CG2-CG 4.41Å
369	T	98.8	Very high	98.2	Very high	18 Å²	18	32.3 Å²	32.3	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	152.5	176.2	56.1	0	0	0	0	112.2	H182 N301 A357 V358	H182-T369 PolarHBondContact CE1-OG1 2.03Å; H182-T369 VanDerWaalsContact CE1-OG1 3.25Å; H182-T369 PolarHBondContact NE2-OG1 3.06Å; H182-T369 VanDerWaalsContact NE2-OG1 3.15Å; N301-T369 PolarHBondContact ND2-O 3.21Å; N301-T369 VanDerWaalsContact ND2-O 3.12Å; N301-T369 PolarHBondContact ND2-OG1 2.95Å; N301-T369 PolarHBondContact OD1-N 3.3Å; N301-T369 PolarHBondContact OD1-OG1 2.98Å; A357-T369 CarbonylContact O-C 3.25Å; A357-T369 WeakPolarHBondContact O-CA 3.43Å; V358-T369 HydrophobicContact CG2-CG2 4.47Å
370	S	98.8	Very high	98.2	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.028	20%	0.199	C	C	.	.			trans	-74.3	145.3	166.4	57.1	0	0	0	0	111.5	I354 G356 A357 G374 D375	I354-S370 PolarHBondContact O-OG 2.97Å; G356-S370 PolarHBondContact N-O 3.03Å; G356-S370 PolarHBondContact N-OG 3.46Å; A357-S370 WeakPolarHBondContact CB-OG 3.19Å; A357-S370 PolarHBondContact N-OG 3.46Å; A357-S370 PolarHBondContact O-N 3.47Å; S370-G374 WeakPolarHBondContact CB-O 3.44Å; S370-D375 CarbonylContact C-O 3.47Å; S370-D375 WeakPolarHBondContact CA-O 3.47Å; S370-D375 WeakPolarHBondContact CB-O 3.21Å
371	G	98.3	Very high	98.2	Very high	12 Å²	12	32.9 Å²	32.9	12%	0.124	20%	0.199	C	C	.	.			trans	-73	-175	173.9	0	0	0	0	0	113	A355 M373 G374 D375	A355-G371 VanDerWaalsContact CA-O 3.31Å; A355-G371 WeakPolarHBondContact CA-O 3.48Å; G371-M373 PolarHBondContact O-N 3.13Å; G371-M373 VanDerWaalsContact O-N 3.17Å; G371-G374 WeakPolarHBondContact O-CA 3.41Å; G371-G374 PolarHBondContact O-N 3.37Å; G371-D375 PolarHBondContact N-O 2.65Å
372	D	97.3	Very high	98.2	Very high	155 Å²	155	36.3 Å²	36.3	83%	0.829	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.9	-174.2	-69.9	-20.3	0	0	0	113.8	G374	D372-G374 VanDerWaalsContact C-N 3.34Å
373	M	97.5	Very high	98.2	Very high	71 Å²	71	30.7 Å²	30.7	35%	0.35	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.5	176.8	-64.5	-166.8	-74.7	0	0	113.3	H72 P74 M345 G353 G371 D375	H72-M373 HydrophobicContact CB-CE 4.39Å; H72-M373 WeakPolarHBondContact CD2-CE 3.48Å; H72-M373 WeakPolarHBondContact O-CE 3.2Å; P74-M373 HydrophobicContact CB-CE 4.38Å; P74-M373 HydrophobicContact CG-CE 3.62Å; P74-M373 HydrophobicContact CG-SD 3.73Å; M345-M373 WeakPolarHBondContact CE-O 3.37Å; G353-M373 WeakPolarHBondContact CA-O 3.46Å; G371-M373 PolarHBondContact O-N 3.13Å; G371-M373 VanDerWaalsContact O-N 3.17Å; M373-D375 VanDerWaalsContact C-N 3.3Å
374	G	98.5	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	81.9	1.7	-178.9	0	0	0	0	0	114.5	M345 V346 I354 S370 G371 D372	M345-G374 CarbonylContact C-O 3.53Å; V346-G374 PolarHBondContact N-O 2.9Å; I354-G374 WeakPolarHBondContact O-CA 3.27Å; S370-G374 WeakPolarHBondContact CB-O 3.44Å; G371-G374 WeakPolarHBondContact O-CA 3.41Å; G371-G374 PolarHBondContact O-N 3.37Å; D372-G374 VanDerWaalsContact C-N 3.34Å
375	D	98.8	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	150.7	172.6	67.6	-52.5	0	0	0	111.6	H72 P74 L75 G344 M345 S370 G371 M373 F377	H72-D375 IonicContact CE1-OD2 3.4Å; H72-D375 PolarHBondContact CE1-OD2 2.89Å; H72-D375 IonicContact NE2-OD1 3.45Å; H72-D375 PolarHBondContact NE2-OD1 3.37Å; H72-D375 IonicContact NE2-OD2 3.15Å; H72-D375 PolarHBondContact NE2-OD2 3.49Å; H72-D375 VanDerWaalsContact NE2-OD2 3.15Å; P74-D375 HydrophobicContact CB-CB 4.46Å; L75-D375 HydrophobicContact CD2-CB 4.16Å; L75-D375 PolarHBondContact N-OD2 3.12Å; G344-D375 CarbonylContact O-C 3.59Å; G344-D375 VanDerWaalsContact O-CA 3.22Å; G344-D375 WeakPolarHBondContact O-CA 3.48Å; M345-D375 HydrophobicContact CE-CB 3.93Å; M345-D375 HydrophobicContact SD-CB 3.49Å; M345-D375 WeakPolarHBondContact SD-CB 3.46Å; S370-D375 CarbonylContact C-O 3.47Å; S370-D375 WeakPolarHBondContact CA-O 3.47Å; S370-D375 WeakPolarHBondContact CB-O 3.21Å; G371-D375 PolarHBondContact N-O 2.65Å; M373-D375 VanDerWaalsContact C-N 3.3Å; D375-F377 VanDerWaalsContact OD2-CE2 3.28Å; D375-F377 WeakPolarHBondContact OD2-CE2 3.33Å; D375-F377 WeakPolarHBondContact OD2-CZ 3.27Å
376	Y	98.9	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.3	-179.6	80.9	-85.3	0	0	0	111.4	I342 K343 G344 V346 I359 V368 R378 V411 F413	I342-Y376 HydrophobicContact CD1-CE2 4.08Å; I342-Y376 HydrophobicContact CG1-CE2 4.05Å; K343-Y376 VanDerWaalsContact CA-O 3.22Å; K343-Y376 WeakPolarHBondContact CA-O 3.27Å; K343-Y376 WeakPolarHBondContact CB-O 3.33Å; G344-Y376 PolarHBondContact N-O 2.94Å; G344-Y376 VanDerWaalsContact N-O 3.1Å; G344-Y376 WeakPolarHBondContact O-CD1 3.17Å; G344-Y376 PolarHBondContact O-N 3.04Å; V346-Y376 HydrophobicContact CG2-CD1 3.96Å; V346-Y376 HydrophobicContact CG2-CE1 4.39Å; I359-Y376 HydrophobicContact CB-CD2 4.18Å; I359-Y376 HydrophobicContact CB-CE2 4.37Å; I359-Y376 HydrophobicContact CD1-CD1 4.12Å; I359-Y376 HydrophobicContact CD1-CD2 3.91Å; I359-Y376 HydrophobicContact CD1-CG 3.59Å; I359-Y376 HydrophobicContact CG1-CD1 4.06Å; I359-Y376 HydrophobicContact CG1-CD2 3.67Å; I359-Y376 HydrophobicContact CG1-CE1 4.35Å; I359-Y376 HydrophobicContact CG1-CE2 4.01Å; I359-Y376 HydrophobicContact CG1-CG 3.71Å; I359-Y376 HydrophobicContact CG2-CD2 4.11Å; I359-Y376 HydrophobicContact CG2-CE2 3.81Å; V368-Y376 HydrophobicContact CG2-CD2 4.45Å; Y376-R378 HydrophobicContact CE2-CB 4.41Å; Y376-V411 WeakPolarHBondContact CE1-O 3.3Å; Y376-V411 WeakPolarHBondContact OH-CB 3.4Å; Y376-V411 PolarHBondContact OH-O 3.02Å; Y376-F413 HydrophobicContact CE1-CD2 4.02Å; Y376-F413 HydrophobicContact CE1-CE2 4.06Å; Y376-F413 AromaticContact CZ-CE2 3.9Å; Y376-F413 WeakPolarHBondContact OH-CE2 3.4Å
377	F	98.9	Very high	98.5	Very high	14 Å²	14	29.8 Å²	29.8	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.9	179.1	-52.1	-91.9	0	0	0	109.2	E76 P77 V210 K343 D375	E76-F377 WeakPolarHBondContact O-CZ 3.41Å; P77-F377 HydrophobicContact CB-CD1 3.73Å; P77-F377 HydrophobicContact CB-CE1 3.6Å; P77-F377 HydrophobicContact CB-CG 4.31Å; P77-F377 HydrophobicContact CB-CZ 4.09Å; P77-F377 HydrophobicContact CG-CE1 4.21Å; V210-F377 HydrophobicContact CB-CB 4.36Å; V210-F377 HydrophobicContact CG1-CB 3.77Å; V210-F377 HydrophobicContact CG2-CB 3.61Å; V210-F377 HydrophobicContact CG2-CD1 4.41Å; V210-F377 HydrophobicContact CG2-CD2 3.61Å; V210-F377 HydrophobicContact CG2-CE2 4.41Å; V210-F377 HydrophobicContact CG2-CG 3.62Å; K343-F377 HydrophobicContact CB-CD1 3.7Å; K343-F377 HydrophobicContact CB-CE1 4.18Å; K343-F377 HydrophobicContact CB-CG 4.46Å; K343-F377 HydrophobicContact CD-CD1 4.02Å; K343-F377 HydrophobicContact CD-CE1 3.87Å; D375-F377 VanDerWaalsContact OD2-CE2 3.28Å; D375-F377 WeakPolarHBondContact OD2-CE2 3.33Å; D375-F377 WeakPolarHBondContact OD2-CZ 3.27Å
378	R	98.8	Very high	98.5	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	103.4	175.6	-177.4	69.7	-161.6	-159.8	0.2	109.9	D247 G341 I342 V361 H366 V368 Y376 L380	D247-R378 IonicContact OD1-CZ 3.45Å; D247-R378 IonicContact OD1-NH2 3.93Å; D247-R378 PolarHBondContact OD1-NH2 2.87Å; D247-R378 IonicContact OD2-CZ 2.71Å; D247-R378 IonicContact OD2-NH2 3.94Å; D247-R378 PolarHBondContact OD2-NH2 2.94Å; G341-R378 WeakPolarHBondContact CA-O 3.44Å; I342-R378 HydrophobicContact CD1-CB 4.22Å; I342-R378 HydrophobicContact CG1-CB 3.7Å; I342-R378 HydrophobicContact CG1-CG 4.39Å; I342-R378 PolarHBondContact N-O 3.37Å; I342-R378 PolarHBondContact O-N 3.34Å; V361-R378 HydrophobicContact CG2-CG 4.07Å; H366-R378 PolarHBondContact O-NH1 2.74Å; H366-R378 PolarHBondContact O-NH2 3.1Å; V368-R378 HydrophobicContact CG2-CB 4.04Å; V368-R378 HydrophobicContact CG2-CG 4.41Å; Y376-R378 HydrophobicContact CE2-CB 4.41Å; R378-L380 HydrophobicContact CG-CD1 4.18Å; R378-L380 HydrophobicContact CG-CD2 4.26Å; R378-L380 HydrophobicContact CG-CG 3.98Å; R378-L380 PolarHBondContact O-N 3.02Å
379	L	98.8	Very high	98.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	18%	0.176	C	C	.	.			trans	-63	128.5	172.8	-58.6	-178.1	0	0	0	109.4	V210 L211 L250 F303 I338 Q340	V210-L379 HydrophobicContact CG1-CD1 4.29Å; V210-L379 HydrophobicContact CG1-CD2 4.09Å; V210-L379 HydrophobicContact CG1-CG 3.98Å; L211-L379 HydrophobicContact CB-CD1 4.32Å; L211-L379 HydrophobicContact CD1-CD1 4.04Å; L250-L379 HydrophobicContact CD1-CB 4.23Å; L250-L379 HydrophobicContact CD2-CB 3.61Å; L250-L379 WeakPolarHBondContact CD2-O 3.35Å; F303-L379 HydrophobicContact CB-CD1 4.27Å; F303-L379 HydrophobicContact CD2-CD1 4.43Å; F303-L379 HydrophobicContact CG-CD1 4.27Å; I338-L379 WeakPolarHBondContact O-CD2 3.4Å; Q340-L379 HydrophobicContact CG-CD2 4.16Å
380	L	98.7	Very high	98.5	Very high	2 Å²	2	31 Å²	31	1%	0.01	18%	0.183	C	C	.	.			trans	-147	148.9	179	-67.1	171.2	0	0	0	108.6	I342 V361 I364 R378 Y385 V403	I342-L380 HydrophobicContact CD1-CD1 4.26Å; I342-L380 HydrophobicContact CG1-CD1 4.25Å; I342-L380 HydrophobicContact CG2-CD1 4.43Å; V361-L380 HydrophobicContact CG1-CD2 4.4Å; V361-L380 HydrophobicContact CG2-CD1 4.32Å; V361-L380 HydrophobicContact CG2-CD2 4.47Å; I364-L380 HydrophobicContact CD1-CD2 3.5Å; I364-L380 VanDerWaalsContact CD1-CD2 3.5Å; R378-L380 HydrophobicContact CG-CD1 4.18Å; R378-L380 HydrophobicContact CG-CD2 4.26Å; R378-L380 HydrophobicContact CG-CG 3.98Å; R378-L380 PolarHBondContact O-N 3.02Å; L380-Y385 HydrophobicContact CB-CE2 4.08Å; L380-Y385 HydrophobicContact CD1-CD1 4.37Å; L380-Y385 HydrophobicContact CD1-CD2 3.94Å; L380-Y385 HydrophobicContact CD1-CE2 4.14Å; L380-Y385 HydrophobicContact CD1-CG 4.06Å; L380-Y385 HydrophobicContact CD2-CE1 4.16Å; L380-V403 HydrophobicContact CB-CG2 4.25Å; L380-V403 HydrophobicContact CD1-CG2 4.24Å
381	L	98.6	Very high	98.5	Very high	43 Å²	43	31.8 Å²	31.8	23%	0.225	19%	0.19	C	C	.	.			trans	-72.3	164.7	168.5	-64	179.4	0	0	0	110.6	K249 L250 K253 G383 Y385	K249-L381 HydrophobicContact CB-CD1 3.74Å; L250-L381 HydrophobicContact CD1-CD2 4.29Å; K253-L381 HydrophobicContact CB-CD2 3.71Å; K253-L381 HydrophobicContact CD-CD2 4.19Å; K253-L381 HydrophobicContact CG-CD2 3.77Å; L381-G383 PolarHBondContact O-N 2.88Å; L381-Y385 WeakPolarHBondContact O-CE2 3.26Å; L381-Y385 PolarHBondContact O-OH 3.12Å
382	P	98.6	Very high	98.3	Very high	77 Å²	77	40.6 Å²	40.6	50%	0.5	23%	0.228	S	C	.	.	S	Bend	trans	-57.9	132.2	173.6	-26.4	36.8	0	0	0	112	V403 P405	P382-V403 VanDerWaalsContact CA-O 3.29Å; P382-V403 WeakPolarHBondContact CA-O 3.29Å; P382-P405 HydrophobicContact CG-CB 4.13Å
383	G	98.1	Very high	98.3	Very high	26 Å²	26	35.2 Å²	35.2	27%	0.268	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	164.1	173.8	-174.1	0	0	0	0	0	112.8	L381 Y385 T402 V403	L381-G383 PolarHBondContact O-N 2.88Å; G383-Y385 WeakPolarHBondContact O-CD2 3.01Å; G383-T402 CarbonylContact O-C 3.57Å; G383-T402 WeakPolarHBondContact O-CA 3.5Å; G383-V403 PolarHBondContact N-O 3.16Å; G383-V403 PolarHBondContact O-N 3.16Å
384	T	98.3	Very high	98.3	Very high	92 Å²	92	33.8 Å²	33.8	56%	0.564	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.9	174.7	-60.4	0	0	0	0	109.2	T400 T401 T402	T384-T400 HydrophobicContact CG2-CG2 3.65Å; T384-T401 CarbonylContact C-O 3.45Å; T384-T401 WeakPolarHBondContact CA-O 3.48Å; T384-T402 PolarHBondContact OG1-OG1 3.02Å; T384-T402 VanDerWaalsContact OG1-OG1 3.07Å
385	Y	98.6	Very high	98.2	Very high	42 Å²	42	38.3 Å²	38.3	17%	0.165	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.5	-172.5	-62.1	-85.5	0	0	0	110.9	V361 I364 L380 L381 G383 T400 T401 V403	V361-Y385 HydrophobicContact CG1-CD1 3.54Å; V361-Y385 HydrophobicContact CG1-CE1 4.36Å; V361-Y385 HydrophobicContact CG1-CG 4.13Å; I364-Y385 HydrophobicContact CD1-CE1 4.25Å; L380-Y385 HydrophobicContact CB-CE2 4.08Å; L380-Y385 HydrophobicContact CD1-CD1 4.37Å; L380-Y385 HydrophobicContact CD1-CD2 3.94Å; L380-Y385 HydrophobicContact CD1-CE2 4.14Å; L380-Y385 HydrophobicContact CD1-CG 4.06Å; L380-Y385 HydrophobicContact CD2-CE1 4.16Å; L381-Y385 WeakPolarHBondContact O-CE2 3.26Å; L381-Y385 PolarHBondContact O-OH 3.12Å; G383-Y385 WeakPolarHBondContact O-CD2 3.01Å; Y385-T400 CarbonylContact O-C 3.59Å; Y385-T400 WeakPolarHBondContact O-CA 3.34Å; Y385-T401 PolarHBondContact N-O 3.26Å; Y385-T401 PolarHBondContact O-N 3.47Å; Y385-V403 HydrophobicContact CD2-CB 4.45Å; Y385-V403 HydrophobicContact CD2-CG2 3.87Å; Y385-V403 HydrophobicContact CE2-CB 4.19Å; Y385-V403 HydrophobicContact CE2-CG2 3.97Å
386	T	98.7	Very high	98.1	Very high	41 Å²	41	42.4 Å²	42.4	25%	0.252	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.3	164.6	-57.1	0	0	0	0	107.6	Q362 T398 V399	Q362-T386 WeakPolarHBondContact CB-O 3.45Å; Q362-T386 PolarHBondContact N-O 2.85Å; Q362-T386 VanDerWaalsContact OE1-CB 3.26Å; Q362-T386 PolarHBondContact OE1-OG1 3.14Å; T386-T398 HydrophobicContact CG2-CG2 3.36Å; T386-V399 WeakPolarHBondContact CA-O 3.5Å
387	V	98.8	Very high	98.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.1	-172.5	-170.9	0	0	0	0	108.7	I342 I359 S360 V361 T398 V399 T401 F413	I342-V387 HydrophobicContact CD1-CB 4.49Å; I342-V387 HydrophobicContact CD1-CG1 3.93Å; I342-V387 HydrophobicContact CD1-CG2 3.9Å; I359-V387 HydrophobicContact CG2-CG1 3.52Å; S360-V387 CarbonylContact O-C 3.59Å; S360-V387 WeakPolarHBondContact O-CA 3.38Å; V361-V387 HydrophobicContact CG2-CG1 4.41Å; V361-V387 HydrophobicContact CG2-CG2 4.41Å; V387-T398 CarbonylContact O-C 3.53Å; V387-T398 WeakPolarHBondContact O-CA 3.36Å; V387-V399 HydrophobicContact CB-CG2 4.42Å; V387-V399 PolarHBondContact N-O 3.35Å; V387-V399 PolarHBondContact O-N 2.95Å; V387-T401 HydrophobicContact CG2-CG2 3.85Å; V387-F413 HydrophobicContact CB-CZ 4.12Å; V387-F413 HydrophobicContact CG1-CE2 4.32Å; V387-F413 HydrophobicContact CG1-CZ 3.76Å
388	T	98.8	Very high	98.1	Very high	32 Å²	32	48.6 Å²	48.6	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.5	178.7	-56.8	0	0	0	0	110.2	I359 S360 P396 Q397 T398	I359-T388 WeakPolarHBondContact CA-O 3.19Å; S360-T388 PolarHBondContact N-O 2.67Å; S360-T388 PolarHBondContact O-N 3.49Å; S360-T388 PolarHBondContact OG-O 2.76Å; T388-P396 HydrophobicContact CG2-CB 3.96Å; T388-Q397 CarbonylContact C-O 3.46Å; T388-Q397 VanDerWaalsContact CA-O 3.32Å; T388-Q397 WeakPolarHBondContact CA-O 3.46Å; T388-T398 WeakPolarHBondContact CG2-OG1 3.26Å; T388-T398 WeakPolarHBondContact OG1-CG2 2.92Å; T388-T398 PolarHBondContact OG1-OG1 3.09Å
389	A	98.8	Very high	98.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.2	166.5	0	0	0	0	0	110.1	V346 V358 P396 Q397 F413 L415	V346-A389 HydrophobicContact CG1-CB 4.41Å; V346-A389 HydrophobicContact CG2-CB 4.31Å; V358-A389 CarbonylContact O-C 3.25Å; V358-A389 VanDerWaalsContact O-CA 3.3Å; V358-A389 WeakPolarHBondContact O-CA 3.31Å; A389-P396 CarbonylContact O-C 3.58Å; A389-P396 VanDerWaalsContact O-CA 3.25Å; A389-P396 WeakPolarHBondContact O-CA 3.26Å; A389-Q397 PolarHBondContact N-O 2.96Å; A389-Q397 PolarHBondContact O-N 3.04Å; A389-F413 HydrophobicContact CB-CB 3.66Å; A389-F413 HydrophobicContact CB-CD1 3.48Å; A389-F413 VanDerWaalsContact CB-CD1 3.48Å; A389-F413 HydrophobicContact CB-CD2 3.62Å; A389-F413 HydrophobicContact CB-CE1 3.93Å; A389-F413 HydrophobicContact CB-CE2 4.05Å; A389-F413 HydrophobicContact CB-CG 3.3Å; A389-F413 HydrophobicContact CB-CZ 4.2Å; A389-L415 HydrophobicContact CB-CD2 4.2Å
390	S	98.4	Very high	98.1	Very high	36 Å²	36	55 Å²	55	25%	0.252	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150	178.6	61.5	0	0	0	0	110.8	A357 V358	A357-S390 CarbonylContact C-O 3.56Å; A357-S390 WeakPolarHBondContact CA-O 3.35Å; V358-S390 PolarHBondContact N-O 3.28Å; V358-S390 PolarHBondContact O-N 3.11Å
391	A	97.9	Very high	98	Very high	21 Å²	21	56 Å²	56	17%	0.174	33%	0.328	C	S	.	.			trans	-149.3	151.6	176.1	0	0	0	0	0	109.4	I354 A357 G393 Y394 L415	I354-A391 HydrophobicContact CG2-CB 3.82Å; A357-A391 HydrophobicContact CB-CB 4.02Å; A391-G393 PolarHBondContact O-N 2.87Å; A391-Y394 HydrophobicContact CB-CD2 3.93Å; A391-Y394 HydrophobicContact CB-CG 4.43Å; A391-Y394 PolarHBondContact O-N 3.41Å; A391-Y394 VanDerWaalsContact O-N 3.08Å; A391-L415 HydrophobicContact CB-CD1 3.88Å
392	E	95.7	Very high	98	Very high	197 Å²	197	58 Å²	58	92%	0.921	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	129	177.7	-173.4	179	175.6	0	0	110.8	Y394	E392-Y394 VanDerWaalsContact C-N 3.33Å; E392-Y394 WeakPolarHBondContact O-CD2 3.39Å
393	G	95.6	Very high	97.9	Very high	42 Å²	42	54.6 Å²	54.6	43%	0.433	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	9.4	-177.5	0	0	0	0	0	114.9	A391 D418	A391-G393 PolarHBondContact O-N 2.87Å; G393-D418 PolarHBondContact O-N 3.27Å
394	Y	97.3	Very high	97.8	Very high	40 Å²	40	54.8 Å²	54.8	16%	0.157	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.5	176.9	-67.3	-96.7	0	0	0	112.5	D348 I354 A391 E392 P396 L415 K416 Q417	D348-Y394 HydrophobicContact CB-CE1 3.91Å; I354-Y394 HydrophobicContact CD1-CD1 3.92Å; I354-Y394 HydrophobicContact CD1-CD2 4.31Å; I354-Y394 HydrophobicContact CD1-CE1 3.66Å; I354-Y394 HydrophobicContact CD1-CE2 4.07Å; I354-Y394 HydrophobicContact CD1-CG 4.25Å; A391-Y394 HydrophobicContact CB-CD2 3.93Å; A391-Y394 HydrophobicContact CB-CG 4.43Å; A391-Y394 PolarHBondContact O-N 3.41Å; A391-Y394 VanDerWaalsContact O-N 3.08Å; E392-Y394 VanDerWaalsContact C-N 3.33Å; E392-Y394 WeakPolarHBondContact O-CD2 3.39Å; Y394-P396 WeakPolarHBondContact O-CD 3.48Å; Y394-L415 HydrophobicContact CD1-CB 3.72Å; Y394-L415 HydrophobicContact CG-CB 4.05Å; Y394-K416 CarbonylContact C-O 3.53Å; Y394-K416 VanDerWaalsContact CA-O 3.29Å; Y394-K416 WeakPolarHBondContact CA-O 3.48Å; Y394-Q417 HydrophobicContact CD1-CG 4.03Å; Y394-Q417 HydrophobicContact CE1-CG 3.52Å
395	Q	97.2	Very high	97.4	Very high	96 Å²	96	56.4 Å²	56.4	45%	0.449	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.6	170.3	-66.2	-175.2	4.5	0	0	110.2	K416 D418	Q395-K416 PolarHBondContact N-O 3.45Å; Q395-D418 WeakPolarHBondContact CG-OD1 3.29Å
396	P	97.9	Very high	96.9	Very high	86 Å²	86	57.9 Å²	57.9	56%	0.558	36%	0.355	S	S	*	.			trans	-60.4	145.7	175.4	-23.7	33.6	0	0	0	112.4	T388 A389 Y394	T388-P396 HydrophobicContact CG2-CB 3.96Å; A389-P396 CarbonylContact O-C 3.58Å; A389-P396 VanDerWaalsContact O-CA 3.25Å; A389-P396 WeakPolarHBondContact O-CA 3.26Å; Y394-P396 WeakPolarHBondContact O-CD 3.48Å
397	Q	98.4	Very high	96.5	Very high	63 Å²	63	59.4 Å²	59.4	29%	0.294	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.6	173.7	-176.2	-174.5	5.5	0	0	109.9	T388 A389 V399 F413 Q414 L415	T388-Q397 CarbonylContact C-O 3.46Å; T388-Q397 VanDerWaalsContact CA-O 3.32Å; T388-Q397 WeakPolarHBondContact CA-O 3.46Å; A389-Q397 PolarHBondContact N-O 2.96Å; A389-Q397 PolarHBondContact O-N 3.04Å; Q397-V399 HydrophobicContact CG-CG1 4.47Å; Q397-F413 HydrophobicContact CB-CD1 4.13Å; Q397-F413 HydrophobicContact CG-CD1 4.17Å; Q397-F413 WeakPolarHBondContact O-CE1 3.39Å; Q397-Q414 PolarHBondContact OE1-O 3.13Å; Q397-L415 HydrophobicContact CB-CD2 3.69Å
398	T	98.6	Very high	96.3	Very high	80 Å²	80	60.6 Å²	60.6	49%	0.491	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136	177.4	-55.6	0	0	0	0	110.6	T386 V387 T388	T386-T398 HydrophobicContact CG2-CG2 3.36Å; V387-T398 CarbonylContact O-C 3.53Å; V387-T398 WeakPolarHBondContact O-CA 3.36Å; T388-T398 WeakPolarHBondContact CG2-OG1 3.26Å; T388-T398 WeakPolarHBondContact OG1-CG2 2.92Å; T388-T398 PolarHBondContact OG1-OG1 3.09Å
399	V	98.4	Very high	96.2	Very high	38 Å²	38	60.5 Å²	60.5	23%	0.23	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.4	175.6	-57.2	0	0	0	0	110.4	T386 V387 Q397 V411 F413	T386-V399 WeakPolarHBondContact CA-O 3.5Å; V387-V399 HydrophobicContact CB-CG2 4.42Å; V387-V399 PolarHBondContact N-O 3.35Å; V387-V399 PolarHBondContact O-N 2.95Å; Q397-V399 HydrophobicContact CG-CG1 4.47Å; V399-V411 HydrophobicContact CG2-CG1 3.64Å; V399-F413 HydrophobicContact CB-CE1 4.35Å; V399-F413 HydrophobicContact CG1-CD1 4.44Å; V399-F413 HydrophobicContact CG1-CE1 4.02Å; V399-F413 HydrophobicContact CG2-CE1 3.56Å; V399-F413 HydrophobicContact CG2-CZ 3.64Å
400	T	98.4	Very high	96.2	Very high	101 Å²	101	65.4 Å²	65.4	62%	0.62	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.7	168.8	-58.6	0	0	0	0	108.5	T384 Y385	T384-T400 HydrophobicContact CG2-CG2 3.65Å; Y385-T400 CarbonylContact O-C 3.59Å; Y385-T400 WeakPolarHBondContact O-CA 3.34Å
401	T	97.6	Very high	96.2	Very high	22 Å²	22	64.3 Å²	64.3	14%	0.135	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.1	-178.6	-169.2	0	0	0	0	111.1	I342 T384 Y385 V387 V411	I342-T401 HydrophobicContact CG2-CG2 4Å; T384-T401 CarbonylContact C-O 3.45Å; T384-T401 WeakPolarHBondContact CA-O 3.48Å; Y385-T401 PolarHBondContact N-O 3.26Å; Y385-T401 PolarHBondContact O-N 3.47Å; V387-T401 HydrophobicContact CG2-CG2 3.85Å; T401-V411 HydrophobicContact CG2-CG2 4.07Å; T401-V411 WeakPolarHBondContact OG1-CG2 3.07Å
402	T	97.2	Very high	96.2	Very high	87 Å²	87	68.1 Å²	68.1	53%	0.534	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118.8	178.9	-63.7	0	0	0	0	109.5	G383 T384 S409	G383-T402 CarbonylContact O-C 3.57Å; G383-T402 WeakPolarHBondContact O-CA 3.5Å; T384-T402 PolarHBondContact OG1-OG1 3.02Å; T384-T402 VanDerWaalsContact OG1-OG1 3.07Å; T402-S409 PolarHBondContact O-OG 3.08Å; T402-S409 VanDerWaalsContact O-OG 3.12Å
403	V	97.4	Very high	96.4	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124	175.9	178.1	0	0	0	0	109	I342 L380 P382 G383 Y385	I342-V403 HydrophobicContact CG2-CG2 3.56Å; L380-V403 HydrophobicContact CB-CG2 4.25Å; L380-V403 HydrophobicContact CD1-CG2 4.24Å; P382-V403 VanDerWaalsContact CA-O 3.29Å; P382-V403 WeakPolarHBondContact CA-O 3.29Å; G383-V403 PolarHBondContact N-O 3.16Å; G383-V403 PolarHBondContact O-N 3.16Å; Y385-V403 HydrophobicContact CD2-CB 4.45Å; Y385-V403 HydrophobicContact CD2-CG2 3.87Å; Y385-V403 HydrophobicContact CE2-CB 4.19Å; Y385-V403 HydrophobicContact CE2-CG2 3.97Å
404	G	94.9	Very high	96.5	Very high	30 Å²	30	61 Å²	61	31%	0.309	37%	0.367	S	S	.	.			trans	-87.1	176.4	173.2	0	0	0	0	0	113.2	A406	G404-A406 VanDerWaalsContact C-N 3.25Å; G404-A406 PolarHBondContact O-N 3.18Å
405	P	90	Very high	96.5	Very high	126 Å²	126	59.1 Å²	59.1	82%	0.818	36%	0.36	S	S	*	.	S	Bend	trans	-79.6	-0.6	177.4	34.4	-37.1	0	0	0	114.6	P382	P382-P405 HydrophobicContact CG-CB 4.13Å
406	A	88.7	Confident	96.5	Very high	72 Å²	72	60.1 Å²	60.1	60%	0.595	36%	0.362	S	S	*	.	S	Bend	trans	-112.7	-137.4	-175.3	0	0	0	0	0	110.1	G404	G404-A406 VanDerWaalsContact C-N 3.25Å; G404-A406 PolarHBondContact O-N 3.18Å
407	A	90.3	Very high	96.2	Very high	74 Å²	74	61.5 Å²	61.5	61%	0.612	36%	0.361	S	S	*	.	S	Bend	trans	-55.7	154.9	-178.3	0	0	0	0	0	113.4
408	P	95	Very high	95.7	Very high	25 Å²	25	62.1 Å²	62.1	16%	0.162	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-60.2	145	179.3	-19	31.4	0	0	0	111.7	H339 G341 K343	H339-P408 VanDerWaalsContact C-CG 3.46Å; H339-P408 HydrophobicContact CB-CG 4.44Å; H339-P408 VanDerWaalsContact O-CD 3.26Å; H339-P408 WeakPolarHBondContact O-CD 3.43Å; G341-P408 CarbonylContact O-C 3.48Å; G341-P408 VanDerWaalsContact O-CA 3.29Å; G341-P408 WeakPolarHBondContact O-CA 3.5Å; K343-P408 HydrophobicContact CD-CB 4.41Å; K343-P408 HydrophobicContact CD-CG 4.45Å; K343-P408 HydrophobicContact CG-CB 4.14Å
409	S	97.3	Very high	94.6	Very high	29 Å²	29	64 Å²	64	20%	0.203	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.3	171	-56	0	0	0	0	110.2	G341 I342 K343 T402 V411	G341-S409 PolarHBondContact O-N 3.03Å; I342-S409 VanDerWaalsContact CA-O 3.31Å; I342-S409 WeakPolarHBondContact CA-O 3.45Å; K343-S409 PolarHBondContact N-O 2.96Å; K343-S409 VanDerWaalsContact N-O 3.12Å; T402-S409 PolarHBondContact O-OG 3.08Å; T402-S409 VanDerWaalsContact O-OG 3.12Å; S409-V411 PolarHBondContact O-N 3.2Å
410	L	98.2	Very high	92.8	Very high	103 Å²	103	68.1 Å²	68.1	54%	0.539	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.8	175.3	-69.6	176.6	0	0	0	110.3	L75 K343	L75-L410 HydrophobicContact CD1-CD2 4.29Å; K343-L410 HydrophobicContact CG-CD2 3.8Å; K343-L410 WeakPolarHBondContact O-CA 3.44Å
411	V	98.5	Very high	90.4	Very high	13 Å²	13	74 Å²	74	8%	0.079	41%	0.414	C	S	.	.			trans	-132.6	105	-178.4	-178.1	0	0	0	0	109.1	I342 K343 G344 Y376 V399 T401 S409 F413	I342-V411 HydrophobicContact CB-CG2 4.3Å; I342-V411 HydrophobicContact CG2-CG2 4.18Å; K343-V411 PolarHBondContact O-N 3.45Å; G344-V411 WeakPolarHBondContact CA-O 3.43Å; Y376-V411 WeakPolarHBondContact CE1-O 3.3Å; Y376-V411 WeakPolarHBondContact OH-CB 3.4Å; Y376-V411 PolarHBondContact OH-O 3.02Å; V399-V411 HydrophobicContact CG2-CG1 3.64Å; T401-V411 HydrophobicContact CG2-CG2 4.07Å; T401-V411 WeakPolarHBondContact OG1-CG2 3.07Å; S409-V411 PolarHBondContact O-N 3.2Å; V411-F413 HydrophobicContact CG1-CE2 3.8Å; V411-F413 HydrophobicContact CG1-CZ 3.86Å
412	H	98.5	Very high	87.7	Confident	101 Å²	101	81.7 Å²	81.7	47%	0.468	45%	0.445	S	S	.	.			trans	-96.4	146.7	178.3	-55.1	-77.4	0	0	0	111.1	M345	M345-H412 PolarHBondContact N-ND1 3.24Å; M345-H412 VanDerWaalsContact N-ND1 3.16Å; M345-H412 CarbonylContact O-C 3.47Å; M345-H412 WeakPolarHBondContact O-CA 3.14Å
413	F	98.7	Very high	85.1	Confident	1 Å²	1	82.9 Å²	82.9	0%	0.004	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.6	174.3	-63.9	-88.4	0	0	0	109.7	M345 V346 S347 Y376 V387 A389 Q397 V399 V411 L415	M345-F413 PolarHBondContact O-N 3.05Å; V346-F413 WeakPolarHBondContact CA-O 3.42Å; V346-F413 HydrophobicContact CG1-CB 4.27Å; V346-F413 HydrophobicContact CG2-CB 4.39Å; V346-F413 HydrophobicContact CG2-CD2 4.36Å; S347-F413 PolarHBondContact N-O 2.95Å; Y376-F413 HydrophobicContact CE1-CD2 4.02Å; Y376-F413 HydrophobicContact CE1-CE2 4.06Å; Y376-F413 AromaticContact CZ-CE2 3.9Å; Y376-F413 WeakPolarHBondContact OH-CE2 3.4Å; V387-F413 HydrophobicContact CB-CZ 4.12Å; V387-F413 HydrophobicContact CG1-CE2 4.32Å; V387-F413 HydrophobicContact CG1-CZ 3.76Å; A389-F413 HydrophobicContact CB-CB 3.66Å; A389-F413 HydrophobicContact CB-CD1 3.48Å; A389-F413 VanDerWaalsContact CB-CD1 3.48Å; A389-F413 HydrophobicContact CB-CD2 3.62Å; A389-F413 HydrophobicContact CB-CE1 3.93Å; A389-F413 HydrophobicContact CB-CE2 4.05Å; A389-F413 HydrophobicContact CB-CG 3.3Å; A389-F413 HydrophobicContact CB-CZ 4.2Å; Q397-F413 HydrophobicContact CB-CD1 4.13Å; Q397-F413 HydrophobicContact CG-CD1 4.17Å; Q397-F413 WeakPolarHBondContact O-CE1 3.39Å; V399-F413 HydrophobicContact CB-CE1 4.35Å; V399-F413 HydrophobicContact CG1-CD1 4.44Å; V399-F413 HydrophobicContact CG1-CE1 4.02Å; V399-F413 HydrophobicContact CG2-CE1 3.56Å; V399-F413 HydrophobicContact CG2-CZ 3.64Å; V411-F413 HydrophobicContact CG1-CE2 3.8Å; V411-F413 HydrophobicContact CG1-CZ 3.86Å; F413-L415 HydrophobicContact CB-CD2 4.35Å
414	Q	98.1	Very high	82.4	Confident	89 Å²	89	88.3 Å²	88.3	42%	0.416	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	102.6	172.8	-173.1	170.7	48.9	0	0	108.7	S347 D348 N351 Q397	S347-Q414 CarbonylContact O-C 3.51Å; S347-Q414 VanDerWaalsContact O-CA 3.31Å; S347-Q414 WeakPolarHBondContact O-CA 3.28Å; D348-Q414 WeakPolarHBondContact O-CG 3.35Å; D348-Q414 PolarHBondContact O-NE2 3.23Å; D348-Q414 VanDerWaalsContact O-NE2 3.11Å; N351-Q414 PolarHBondContact OD1-NE2 3.21Å; Q397-Q414 PolarHBondContact OE1-O 3.13Å
415	L	98	Very high	80.1	Confident	1 Å²	1	95.8 Å²	95.8	1%	0.005	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-87.8	141	-175.7	-52.8	-173.7	0	0	0	110.9	V346 S347 I354 A389 A391 Y394 Q397 F413	V346-L415 HydrophobicContact CG1-CD1 3.67Å; V346-L415 HydrophobicContact CG1-CG 3.84Å; S347-L415 PolarHBondContact O-N 2.81Å; I354-L415 HydrophobicContact CD1-CB 4Å; I354-L415 HydrophobicContact CD1-CD1 4.15Å; I354-L415 HydrophobicContact CD1-CG 4.29Å; A389-L415 HydrophobicContact CB-CD2 4.2Å; A391-L415 HydrophobicContact CB-CD1 3.88Å; Y394-L415 HydrophobicContact CD1-CB 3.72Å; Y394-L415 HydrophobicContact CG-CB 4.05Å; Q397-L415 HydrophobicContact CB-CD2 3.69Å; F413-L415 HydrophobicContact CB-CD2 4.35Å
416	K	96.2	Very high	77.8	Confident	116 Å²	116	101.1 Å²	101.1	50%	0.504	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.5	177.4	-59.9	-168.5	175.1	-176.3	0	110.3	E349 Y394 Q395 D418	E349-K416 HydrophobicContact CG-CB 4.43Å; E349-K416 HydrophobicContact CG-CG 4.01Å; E349-K416 WeakPolarHBondContact OE1-CG 3.4Å; Y394-K416 CarbonylContact C-O 3.53Å; Y394-K416 VanDerWaalsContact CA-O 3.29Å; Y394-K416 WeakPolarHBondContact CA-O 3.48Å; Q395-K416 PolarHBondContact N-O 3.45Å; K416-D418 PolarHBondContact O-N 3.01Å
417	Q	92.6	Very high	75.6	Confident	115 Å²	115	107.1 Å²	107.1	54%	0.537	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.1	176.4	-77.3	-174.6	-10.5	0	0	110.6	Y394 V419	Y394-Q417 HydrophobicContact CD1-CG 4.03Å; Y394-Q417 HydrophobicContact CE1-CG 3.52Å; Q417-V419 PolarHBondContact O-N 3.01Å
418	D	87.3	Confident	73.2	Confident	76 Å²	76	110 Å²	110	41%	0.406	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-63.6	119.8	169	-86.4	-32.4	0	0	0	109	G393 Q395 K416 V420	G393-D418 PolarHBondContact O-N 3.27Å; Q395-D418 WeakPolarHBondContact CG-OD1 3.29Å; K416-D418 PolarHBondContact O-N 3.01Å; D418-V420 VanDerWaalsContact C-N 3.27Å; D418-V420 PolarHBondContact O-N 3.44Å
419	V	74.9	Confident	70.5	Confident	120 Å²	120	113.8 Å²	113.8	73%	0.727	57%	0.57	S	S	*	*			trans	-68.4	93	172.1	-175.3	0	0	0	0	107.2	Q417 R421	Q417-V419 PolarHBondContact O-N 3.01Å; V419-R421 PolarHBondContact O-N 3.16Å
420	V	60.2	Low	67.7	Low	125 Å²	125	116.1 Å²	116.1	76%	0.758	60%	0.599	S	S	*	*			trans	-62.3	93.3	166.3	-177.7	0	0	0	0	106.6	D418 K422	D418-V420 VanDerWaalsContact C-N 3.27Å; D418-V420 PolarHBondContact O-N 3.44Å; V420-K422 VanDerWaalsContact C-N 3.3Å; V420-K422 PolarHBondContact O-N 3.42Å
421	R	48.3	Very low	64.7	Low	224 Å²	224	117 Å²	117	85%	0.845	61%	0.609	S	S	*	*			trans	-62.2	100.5	163.6	-74.1	-175.6	175.6	-173.3	-0.1	105.8	V419 P423	V419-R421 PolarHBondContact O-N 3.16Å; R421-P423 VanDerWaalsContact O-N 3.14Å
422	K	41.5	Very low	61.8	Low	184 Å²	184	128.1 Å²	128.1	80%	0.8	65%	0.65	S	S	*	*			trans	-44.1	125.8	162	-86.7	-176.9	175.8	178.8	0	106.6	V420	V420-K422 VanDerWaalsContact C-N 3.3Å; V420-K422 PolarHBondContact O-N 3.42Å
423	P	42.9	Very low	58.8	Low	111 Å²	111	129 Å²	129	72%	0.721	66%	0.662	S	S	*	*			trans	-50.6	134	170.5	-21.4	30.3	0	0	0	107.1	R421 E425	R421-P423 VanDerWaalsContact O-N 3.14Å; P423-E425 PolarHBondContact O-N 3.4Å
424	P	41.2	Very low	56.1	Low	120 Å²	120	136.6 Å²	136.6	78%	0.779	70%	0.703	S	S	*	*			trans	-54.5	124.1	175.2	21.5	-29.4	0	0	0	106.6	R426	P424-R426 PolarHBondContact O-N 3.34Å
425	E	45.5	Very low	53	Low	186 Å²	186	139.8 Å²	139.8	87%	0.869	72%	0.723	S	S	*	*			trans	-46.7	114	168.2	-81	-179.6	165.2	0	0	106.2	P423 K427	P423-E425 PolarHBondContact O-N 3.4Å; E425-K427 PolarHBondContact O-N 3.16Å
426	R	42.2	Very low	50.1	Low	238 Å²	238	148.9 Å²	148.9	90%	0.898	76%	0.762	S	S	*	*			trans	-58.3	100.2	167.5	-98.6	-177.8	171.3	-178.8	-1.4	104.6	P424 T428	P424-R426 PolarHBondContact O-N 3.34Å; R426-T428 VanDerWaalsContact C-N 3.27Å; R426-T428 PolarHBondContact O-N 2.83Å
427	K	42.6	Very low	47.1	Very low	198 Å²	198	149.5 Å²	149.5	86%	0.861	78%	0.778	S	S	*	*			trans	-51.9	103.7	159.2	-76.6	-175.9	177.1	179.7	0	104.8	E425 S429	E425-K427 PolarHBondContact O-N 3.16Å; K427-S429 VanDerWaalsContact C-N 3.34Å; K427-S429 PolarHBondContact O-N 2.96Å
428	T	39.2	Very low	44.4	Very low	135 Å²	135	152.1 Å²	152.1	83%	0.828	80%	0.795	S	S	*	*			trans	-56.8	106.2	168	32.6	0	0	0	0	105.6	R426 G430	R426-T428 VanDerWaalsContact C-N 3.27Å; R426-T428 PolarHBondContact O-N 2.83Å; T428-G430 PolarHBondContact O-N 2.95Å
429	S	39.6	Very low	41.9	Very low	104 Å²	104	157.5 Å²	157.5	73%	0.727	82%	0.817	S	S	*	*			trans	-59.3	112.8	168.5	47.3	0	0	0	0	106.3	K427 T431	K427-S429 VanDerWaalsContact C-N 3.34Å; K427-S429 PolarHBondContact O-N 2.96Å; S429-T431 PolarHBondContact O-N 3.02Å; S429-T431 PolarHBondContact O-OG1 2.74Å
430	G	37.3	Very low	40	Very low	78 Å²	78	161.6 Å²	161.6	80%	0.804	83%	0.825	S	S	*	*			trans	-54.7	103	177.5	0	0	0	0	0	109.8	T428 R432	T428-G430 PolarHBondContact O-N 2.95Å; G430-R432 PolarHBondContact O-N 3.25Å
431	T	36	Very low	38.8	Very low	123 Å²	123	165.1 Å²	165.1	76%	0.755	83%	0.831	S	S	*	*			trans	-76.8	102.4	167.2	-16.5	0	0	0	0	106	S429 T433	S429-T431 PolarHBondContact O-N 3.02Å; S429-T431 PolarHBondContact O-OG1 2.74Å; T431-T433 PolarHBondContact O-N 3.14Å
432	R	37.5	Very low	38.3	Very low	246 Å²	246	161.1 Å²	161.1	93%	0.928	83%	0.831	S	S	*	*			trans	-57.3	101.1	166.6	-88	-178.8	171.8	175.1	-2.3	108.2	G430	G430-R432 PolarHBondContact O-N 3.25Å
433	T	35.5	Very low	38.2	Very low	118 Å²	118	158.5 Å²	158.5	72%	0.724	83%	0.83	S	S	*	*			trans	-93.2	107.9	163.7	37.9	0	0	0	0	108	T431 N435	T431-T433 PolarHBondContact O-N 3.14Å; T433-N435 PolarHBondContact O-N 2.88Å
434	N	40.7	Very low	38	Very low	162 Å²	162	159 Å²	159	87%	0.866	83%	0.833	S	S	*	*			trans	-62.9	111.5	165	-91.8	-24.3	0	0	0	108.5
435	N	34.4	Very low	37.6	Very low	155 Å²	155	165.4 Å²	165.4	83%	0.829	84%	0.842	S	S	*	*			trans	-129.5	100.9	162.6	-94.8	-18.3	0	0	0	110.1	T433	T433-N435 PolarHBondContact O-N 2.88Å
436	K	35.7	Very low	37.2	Very low	192 Å²	192	161.2 Å²	161.2	84%	0.835	84%	0.839	S	S	*	*			trans	-64.8	145.5	162	-81.1	178.2	173	178.2	0	109.3	L438	K436-L438 PolarHBondContact O-N 3.25Å
437	P	34	Very low	37.2	Very low	129 Å²	129	156.1 Å²	156.1	84%	0.838	84%	0.835	S	S	*	*			trans	-79.9	121.4	-177.8	30.6	-29.1	0	0	0	110.6
438	L	36.3	Very low	36.8	Very low	171 Å²	171	156 Å²	156	90%	0.895	84%	0.837	S	S	*	*			trans	-94.9	111.6	169.5	-98.6	140.4	0	0	0	109.5	K436 K440	K436-L438 PolarHBondContact O-N 3.25Å; L438-K440 PolarHBondContact O-N 3.17Å
439	Q	34.5	Very low	37	Very low	188 Å²	188	161.1 Å²	161.1	88%	0.879	84%	0.841	S	S	*	*			trans	-54.7	125.7	171	-72.1	172.9	-25.1	0	0	111.1
440	K	35.5	Very low	36.8	Very low	206 Å²	206	159.9 Å²	159.9	90%	0.896	85%	0.845	S	S	*	*			trans	-84.3	114.6	165	-85.8	-177.2	175.4	177.9	0	109.7	L438	L438-K440 PolarHBondContact O-N 3.17Å
441	K	34	Very low	37	Very low	200 Å²	200	162.2 Å²	162.2	87%	0.87	84%	0.844	S	S	*	*			trans	-66.1	131.6	165.5	-83.1	177.8	172.1	178.1	0	110.1
442	V	38.8	Very low	37.3	Very low	140 Å²	140	165 Å²	165	85%	0.848	85%	0.848	S	S	*	*			trans	-79.9	131.9	168.3	175.2	0	0	0	0	108.6
443	V	38.4	Very low	37.6	Very low	129 Å²	129	168.4 Å²	168.4	78%	0.782	86%	0.861	S	S	*	*			trans	-131.4	136.3	168.2	-178.7	0	0	0	0	108.3
444	P	39.2	Very low	37.7	Very low	122 Å²	122	171 Å²	171	79%	0.792	87%	0.868	S	S	*	*			trans	-90.4	153	-165.4	18.5	-2.1	0	0	0	113
445	R	33.7	Very low	37.5	Very low	254 Å²	254	171.4 Å²	171.4	96%	0.958	87%	0.868	S	S	*	*			trans	-100.3	113.6	171.6	-148.9	175.2	-169.9	-178.5	2.1	109.3
446	A	36.8	Very low	37.7	Very low	98 Å²	98	172.3 Å²	172.3	81%	0.81	87%	0.87	S	S	*	*			trans	-76.2	147.1	171.9	0	0	0	0	0	111.4
447	T	41.1	Very low	37.8	Very low	131 Å²	131	171.2 Å²	171.2	80%	0.804	87%	0.872	S	S	*	*			trans	-77.5	146.4	172.2	38.3	0	0	0	0	111.3
448	H	35.8	Very low	38	Very low	195 Å²	195	173.8 Å²	173.8	90%	0.903	87%	0.874	S	S	*	*			trans	-149.7	122.7	145.1	-119.6	-59	0	0	0	111.4
449	R	41.8	Very low	38.1	Very low	242 Å²	242	174 Å²	174	91%	0.913	87%	0.873	S	S	*	*			trans	-72.5	143.6	163.9	-79.2	177.1	169.4	178.2	-3.8	109.4
450	G	35	Very low	38.4	Very low	79 Å²	79	173 Å²	173	81%	0.814	87%	0.873	S	S	*	*			trans	-145.9	124.3	160.2	0	0	0	0	0	108.7
451	T	43.2	Very low	38.6	Very low	127 Å²	127	170.5 Å²	170.5	78%	0.779	87%	0.871	S	S	*	*			trans	-99.4	155.4	-167.5	11.3	0	0	0	0	113.5
452	Q	42.2	Very low	39	Very low	181 Å²	181	168 Å²	168	85%	0.846	87%	0.871	S	S	*	*			trans	70.7	119.9	149	-71.2	177.9	-7.8	0	0	119.6
453	R	42.2	Very low	39	Very low	318 Å²	318	170.5 Å²	170.5	100%	1.2	87%	0.873	S	S	*	*				-147.7	0	72.5	-94	-176.8	178.9	-160.6	-0.2	110.9

Retrieved 453 of 453 residues in 154.2 ms (Link to these results)

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