A0A2K6CXQ2_MACNE Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A2K6CXQ2, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene WNT5B, Length 359 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	51.5	Low	47.8	Very low	232 Å²	232	115 Å²	115	100%	1.143	65%	0.646	S	S	*	*				0	74.8	0	-66.9	-170.4	166.6	0	0	112
2	P	47.7	Very low	47.2	Very low	98 Å²	98	115.2 Å²	115.2	64%	0.636	64%	0.643	S	S	*	*			trans	-122.6	-7.3	159	33.9	-20.4	0	0	0	113.4
3	S	49.7	Very low	46.6	Very low	84 Å²	84	117.1 Å²	117.1	59%	0.587	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-16	-173.7	18.1	0	0	0	0	114.5
4	L	48.8	Very low	46.2	Very low	129 Å²	129	114.8 Å²	114.8	68%	0.675	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-26.8	-178.4	-138.7	78.2	0	0	0	113.2
5	L	47.1	Very low	45.7	Very low	140 Å²	140	112.4 Å²	112.4	73%	0.733	64%	0.64	S	S	*	*	H	α-helix	trans	-74.8	-29.5	177.8	-104.1	97.4	0	0	0	113	L7 T9	L5-L7 VanDerWaalsContact C-N 3.34Å; L5-T9 PolarHBondContact O-N 2.78Å; L5-T9 PolarHBondContact O-OG1 2.9Å
6	L	48.4	Very low	45.2	Very low	126 Å²	126	119.1 Å²	119.1	66%	0.66	65%	0.652	S	S	*	*	H	α-helix	trans	-72.2	-26.3	178.2	-86.7	151.2	0	0	0	113.2	T9 A10	L6-T9 PolarHBondContact O-OG1 2.94Å; L6-A10 PolarHBondContact O-N 3.41Å
7	L	48.6	Very low	44.6	Very low	122 Å²	122	118.4 Å²	118.4	64%	0.639	65%	0.652	S	S	*	*	H	α-helix	trans	-78.2	-30.6	177.4	-75	163	0	0	0	112.1	L5 A11	L5-L7 VanDerWaalsContact C-N 3.34Å; L7-A11 PolarHBondContact O-N 2.89Å
8	F	44.8	Very low	44.2	Very low	145 Å²	145	120.6 Å²	120.6	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-77.6	-31.2	177.7	-95.4	-81.7	0	0	0	113.5	A11 L12	F8-A11 PolarHBondContact O-N 3.01Å; F8-L12 PolarHBondContact O-N 3.49Å
9	T	48.2	Very low	43.8	Very low	78 Å²	78	121.3 Å²	121.3	48%	0.479	66%	0.659	S	S	.	*	H	α-helix	trans	-73.9	-32.4	174.6	53.5	0	0	0	0	112.4	L5 L6 L13	L5-T9 PolarHBondContact O-N 2.78Å; L5-T9 PolarHBondContact O-OG1 2.9Å; L6-T9 PolarHBondContact O-OG1 2.94Å; T9-L13 PolarHBondContact O-N 2.86Å
10	A	46.7	Very low	43.4	Very low	59 Å²	59	122.4 Å²	122.4	49%	0.488	66%	0.663	S	S	.	*	H	α-helix	trans	-69.1	-31.6	173.1	0	0	0	0	0	113	L6 S14	L6-A10 PolarHBondContact O-N 3.41Å; A10-S14 PolarHBondContact O-N 2.92Å; A10-S14 PolarHBondContact O-OG 3.15Å
11	A	44.5	Very low	43.3	Very low	52 Å²	52	119.7 Å²	119.7	43%	0.43	65%	0.651	S	S	.	*	H	α-helix	trans	-78	-26.6	178.1	0	0	0	0	0	113.9	L7 F8 S14 S15	L7-A11 PolarHBondContact O-N 2.89Å; F8-A11 PolarHBondContact O-N 3.01Å; A11-S14 PolarHBondContact O-OG 3.23Å; A11-S15 PolarHBondContact O-OG 3.2Å
12	L	40.2	Very low	42.9	Very low	117 Å²	117	114.7 Å²	114.7	61%	0.613	63%	0.629	S	S	*	*	H	α-helix	trans	-83.1	-23.4	175.4	-78.8	161	0	0	0	113	F8 S15	F8-L12 PolarHBondContact O-N 3.49Å; L12-S15 PolarHBondContact O-OG 3.05Å
13	L	40.3	Very low	43.1	Very low	140 Å²	140	111.7 Å²	111.7	73%	0.733	61%	0.612	S	S	*	*	H	α-helix	trans	-83.9	-18.8	172.1	-79.5	160.5	0	0	0	113.5	T9	T9-L13 PolarHBondContact O-N 2.86Å
14	S	40.3	Very low	43.9	Very low	85 Å²	85	110 Å²	110	59%	0.594	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-7.9	176.5	62.6	0	0	0	0	114.3	A10 A11	A10-S14 PolarHBondContact O-N 2.92Å; A10-S14 PolarHBondContact O-OG 3.15Å; A11-S14 PolarHBondContact O-OG 3.23Å
15	S	38.1	Very low	45.5	Very low	79 Å²	79	104.4 Å²	104.4	55%	0.552	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	2.9	178.3	46.3	0	0	0	0	114.5	A11 L12	A11-S15 PolarHBondContact O-OG 3.2Å; L12-S15 PolarHBondContact O-OG 3.05Å
16	W	38.6	Very low	47.4	Very low	219 Å²	219	98 Å²	98	83%	0.83	53%	0.534	S	S	*	.			trans	-116.9	18.5	175.7	-75.8	73.8	0	0	0	113.8	Q18	W16-Q18 PolarHBondContact O-N 3.4Å; W16-Q18 VanDerWaalsContact O-N 3.07Å
17	V	34.7	Very low	49.3	Very low	107 Å²	107	92.4 Å²	92.4	65%	0.648	50%	0.504	S	S	*	.			trans	-81.3	79.6	155.2	-174.6	0	0	0	0	106	L19	V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.22Å
18	Q	37.8	Very low	51.1	Low	159 Å²	159	86.6 Å²	86.6	74%	0.743	47%	0.474	S	S	*	.			trans	-51.9	116.5	146.6	-72.4	-158.5	-13.8	0	0	104.6	W16 L20	W16-Q18 PolarHBondContact O-N 3.4Å; W16-Q18 VanDerWaalsContact O-N 3.07Å; Q18-L20 PolarHBondContact O-N 2.87Å
19	L	36.9	Very low	52.9	Low	133 Å²	133	79.8 Å²	79.8	70%	0.696	44%	0.444	S	S	*	.			trans	-57.3	86	163	-100.3	99.8	0	0	0	106.3	V17 T21	V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.22Å; L19-T21 HydrophobicContact CD2-CG2 4.05Å; L19-T21 PolarHBondContact O-N 2.96Å
20	L	35.9	Very low	54.6	Low	143 Å²	143	76.4 Å²	76.4	75%	0.749	43%	0.425	S	S	*	.			trans	-67.2	77.6	152.3	-82.7	156.6	0	0	0	104.3	Q18 D22	Q18-L20 PolarHBondContact O-N 2.87Å; L20-D22 PolarHBondContact O-N 3.39Å
21	T	39.6	Very low	56.3	Low	66 Å²	66	76.5 Å²	76.5	41%	0.405	42%	0.417	S	S	.	.			trans	-57.9	103.5	154.6	49.7	0	0	0	0	104.8	L19 A23	L19-T21 HydrophobicContact CD2-CG2 4.05Å; L19-T21 PolarHBondContact O-N 2.96Å; T21-A23 PolarHBondContact O-N 2.94Å
22	D	44.4	Very low	58	Low	127 Å²	127	77 Å²	77	68%	0.679	41%	0.412	S	S	*	.			trans	-60.3	81.6	167.6	-91.7	-35.7	0	0	0	107	L20 N24	L20-D22 PolarHBondContact O-N 3.39Å; D22-N24 PolarHBondContact O-N 3.08Å; D22-N24 PolarHBondContact OD1-ND2 2.79Å
23	A	51.4	Low	59.7	Low	35 Å²	35	76.5 Å²	76.5	29%	0.289	42%	0.416	S	S	.	.			trans	-75.8	38.7	175.1	0	0	0	0	0	109.5	T21 S25 S101	T21-A23 PolarHBondContact O-N 2.94Å; A23-S25 PolarHBondContact O-N 2.86Å; A23-S101 WeakPolarHBondContact O-CA 3.13Å; A23-S101 WeakPolarHBondContact O-CB 3.2Å
24	N	66.6	Low	61.4	Low	50 Å²	50	71 Å²	71	27%	0.267	39%	0.388	S	S	.	.			trans	-71.6	114.3	-177.4	-55.7	-15.1	0	0	0	106.6	D22 V100 R179	D22-N24 PolarHBondContact O-N 3.08Å; D22-N24 PolarHBondContact OD1-ND2 2.79Å; N24-V100 HydrophobicContact CB-CG1 4.03Å; N24-V100 WeakPolarHBondContact OD1-CG1 3.07Å; N24-R179 PolarHBondContact O-NH1 3.49Å; N24-R179 PolarHBondContact O-NH2 2.91Å
25	S	82.2	Confident	62.7	Low	10 Å²	10	75.1 Å²	75.1	7%	0.07	40%	0.398	C	S	.	.			trans	-115.8	151	-179.4	-173.6	0	0	0	0	110.6	A23 W27 S28 G53 V100	A23-S25 PolarHBondContact O-N 2.86Å; S25-W27 PolarHBondContact O-N 3.49Å; S25-W27 VanDerWaalsContact O-N 3.11Å; S25-S28 WeakPolarHBondContact O-CB 3.09Å; S25-S28 PolarHBondContact O-N 3.46Å; S25-S28 PolarHBondContact O-OG 2.98Å; S25-G53 CarbonylContact C-O 3.57Å; S25-V100 PolarHBondContact N-O 2.99Å
26	W	88	Confident	63.9	Low	6 Å²	6	78.2 Å²	78.2	2%	0.023	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-62.6	-17.4	175.2	72	-90.9	0	0	0	112.1	S28 L29 G53 L54 I72 A76 V125 F175 V176	W26-S28 PolarHBondContact O-N 3.13Å; W26-S28 VanDerWaalsContact O-N 3.16Å; W26-L29 WeakPolarHBondContact O-CB 3.44Å; W26-L29 VanDerWaalsContact O-CG 3.23Å; W26-L29 WeakPolarHBondContact O-CG 3.39Å; W26-L29 PolarHBondContact O-N 2.89Å; W26-L29 VanDerWaalsContact O-N 3.17Å; W26-G53 PolarHBondContact N-O 3.39Å; W26-G53 VanDerWaalsContact N-O 3.11Å; W26-L54 HydrophobicContact CB-CD2 4.08Å; W26-I72 HydrophobicContact CE3-CG2 3.78Å; W26-I72 HydrophobicContact CZ3-CG2 3.79Å; W26-A76 HydrophobicContact CE3-CB 4.42Å; W26-A76 HydrophobicContact CH2-CB 4.3Å; W26-A76 HydrophobicContact CZ3-CB 3.71Å; W26-V125 HydrophobicContact CH2-CG2 3.45Å; W26-V125 VanDerWaalsContact CH2-CG2 3.45Å; W26-V125 HydrophobicContact CZ3-CG2 3.58Å; W26-F175 HydrophobicContact CB-CE1 4.27Å; W26-F175 HydrophobicContact CB-CZ 4.47Å; W26-F175 HydrophobicContact CD2-CE1 4.06Å; W26-F175 AromaticContact CE3-CE1 3.93Å; W26-F175 HydrophobicContact CE3-CE1 3.93Å; W26-F175 HydrophobicContact CG-CE1 4.2Å; W26-V176 HydrophobicContact CH2-CG2 4.18Å; W26-V176 HydrophobicContact CZ2-CB 4.47Å; W26-V176 HydrophobicContact CZ2-CG1 3.8Å; W26-V176 HydrophobicContact CZ2-CG2 3.97Å
27	W	86.9	Confident	64.6	Low	8 Å²	8	72.2 Å²	72.2	3%	0.03	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-56.5	-24.4	169.8	-65.1	-40.6	0	0	0	113.1	S25 L29 A30 V102 F103 M107 T117 Y118 S121	S25-W27 PolarHBondContact O-N 3.49Å; S25-W27 VanDerWaalsContact O-N 3.11Å; W27-L29 PolarHBondContact O-N 3.46Å; W27-A30 WeakPolarHBondContact O-CB 3.5Å; W27-A30 PolarHBondContact O-N 3.01Å; W27-V102 HydrophobicContact CB-CB 3.94Å; W27-V102 HydrophobicContact CB-CG1 4.36Å; W27-V102 HydrophobicContact CB-CG2 3.69Å; W27-V102 WeakPolarHBondContact O-CG2 3.43Å; W27-F103 HydrophobicContact CD2-CD2 4.05Å; W27-F103 HydrophobicContact CD2-CE2 4.09Å; W27-F103 AromaticContact CE3-CD2 3.66Å; W27-F103 HydrophobicContact CE3-CD2 3.66Å; W27-F103 HydrophobicContact CE3-CE2 4.18Å; W27-F103 HydrophobicContact CG-CE2 4.38Å; W27-F103 HydrophobicContact CZ3-CD2 4.04Å; W27-M107 HydrophobicContact CH2-CE 3.26Å; W27-M107 HydrophobicContact CH2-CG 4.39Å; W27-M107 HydrophobicContact CZ2-CE 4.14Å; W27-M107 HydrophobicContact CZ3-CB 4.27Å; W27-M107 HydrophobicContact CZ3-CE 3.7Å; W27-M107 HydrophobicContact CZ3-CG 3.85Å; W27-M107 HydrophobicContact CZ3-SD 4.5Å; W27-T117 HydrophobicContact CH2-CG2 4.43Å; W27-T117 HydrophobicContact CZ2-CG2 4.3Å; W27-Y118 HydrophobicContact CH2-CD2 4.02Å; W27-Y118 HydrophobicContact CH2-CE1 4.43Å; W27-Y118 AromaticContact CH2-CE2 3.68Å; W27-Y118 HydrophobicContact CH2-CE2 3.68Å; W27-Y118 AromaticContact CH2-CZ 3.91Å; W27-Y118 HydrophobicContact CZ2-CD1 4.43Å; W27-Y118 HydrophobicContact CZ2-CD2 4.23Å; W27-Y118 HydrophobicContact CZ2-CE1 4.44Å; W27-Y118 HydrophobicContact CZ2-CE2 4.25Å; W27-Y118 HydrophobicContact CZ2-CG 4.33Å; W27-S121 PolarHBondContact NE1-OG 3.32Å
28	S	86.4	Confident	65.3	Low	0 Å²	0	76.2 Å²	76.2	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-53.3	-27.7	175.6	67.4	0	0	0	0	112.9	S25 W26 A30 L31 N32 P52 N99	S25-S28 WeakPolarHBondContact O-CB 3.09Å; S25-S28 PolarHBondContact O-N 3.46Å; S25-S28 PolarHBondContact O-OG 2.98Å; W26-S28 PolarHBondContact O-N 3.13Å; W26-S28 VanDerWaalsContact O-N 3.16Å; S28-A30 PolarHBondContact O-N 2.94Å; S28-A30 VanDerWaalsContact O-N 3.16Å; S28-L31 PolarHBondContact O-N 2.82Å; S28-N32 PolarHBondContact O-N 2.93Å; S28-N32 PolarHBondContact O-ND2 2.81Å; S28-P52 PolarHBondContact OG-O 3.21Å; S28-N99 WeakPolarHBondContact CB-O 3.39Å
29	L	83.3	Confident	65.8	Low	2 Å²	2	75.7 Å²	75.7	1%	0.01	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-60.6	-21.7	176.3	-61.8	176.2	0	0	0	112.7	W26 W27 L31 V34 L51 L54 M69 I72 G73 F175	W26-L29 WeakPolarHBondContact O-CB 3.44Å; W26-L29 VanDerWaalsContact O-CG 3.23Å; W26-L29 WeakPolarHBondContact O-CG 3.39Å; W26-L29 PolarHBondContact O-N 2.89Å; W26-L29 VanDerWaalsContact O-N 3.17Å; W27-L29 PolarHBondContact O-N 3.46Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-V34 HydrophobicContact CD2-CG2 4.04Å; L29-L51 HydrophobicContact CD2-CB 4.23Å; L29-L51 HydrophobicContact CD2-CD1 4.07Å; L29-L51 HydrophobicContact CD2-CD2 3.88Å; L29-L51 HydrophobicContact CD2-CG 4.27Å; L29-L54 HydrophobicContact CD1-CD2 4.22Å; L29-M69 HydrophobicContact CD1-CE 3.57Å; L29-I72 HydrophobicContact CD1-CG2 3.83Å; L29-G73 WeakPolarHBondContact O-CA 3.42Å; L29-F175 HydrophobicContact CD1-CZ 4.49Å
30	A	83.9	Confident	66.5	Low	8 Å²	8	78.9 Å²	78.9	7%	0.066	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-69.7	-31.1	174.3	0	0	0	0	0	113.5	W27 S28 A76 K77 I80	W27-A30 WeakPolarHBondContact O-CB 3.5Å; W27-A30 PolarHBondContact O-N 3.01Å; S28-A30 PolarHBondContact O-N 2.94Å; S28-A30 VanDerWaalsContact O-N 3.16Å; A30-A76 HydrophobicContact CB-CB 3.81Å; A30-K77 HydrophobicContact CB-CB 3.91Å; A30-I80 HydrophobicContact CB-CD1 3.31Å
31	L	82.5	Confident	67.1	Low	61 Å²	61	78 Å²	78	32%	0.319	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-21.5	-175.8	-59.9	-179.6	0	0	0	111.9	S28 L29 P33 D98 V102	S28-L31 PolarHBondContact O-N 2.82Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L31-P33 WeakPolarHBondContact O-CD 3.5Å; L31-D98 WeakPolarHBondContact CD1-O 3.48Å; L31-V102 HydrophobicContact CD1-CG1 4.36Å; L31-V102 HydrophobicContact CD1-CG2 4.04Å
32	N	80.8	Confident	67.2	Low	61 Å²	61	83.2 Å²	83.2	33%	0.326	42%	0.424	S	S	.	.	S	Bend	trans	-114.7	86.5	176.6	-56.4	-78.2	0	0	0	108.8	S28 V34 N99	S28-N32 PolarHBondContact O-N 2.93Å; S28-N32 PolarHBondContact O-ND2 2.81Å; N32-V34 PolarHBondContact O-N 2.04Å; N32-N99 PolarHBondContact ND2-O 3.27Å; N32-N99 VanDerWaalsContact ND2-O 3.09Å
33	P	74.4	Confident	67.4	Low	107 Å²	107	80.9 Å²	80.9	70%	0.695	43%	0.43	S	S	*	.			trans	-61.2	127.4	-175.6	24.6	-32.6	0	0	0	110.4	L31 Q35	L31-P33 WeakPolarHBondContact O-CD 3.5Å; P33-Q35 PolarHBondContact O-N 3.24Å; P33-Q35 VanDerWaalsContact O-N 3.11Å
34	V	76.9	Confident	67.5	Low	26 Å²	26	82.7 Å²	82.7	16%	0.158	45%	0.445	C	S	.	.			trans	-69.5	108.1	174.9	-173.7	0	0	0	0	107.7	L29 N32 R36 V47 L51 M69	L29-V34 HydrophobicContact CD2-CG2 4.04Å; N32-V34 PolarHBondContact O-N 2.04Å; V34-R36 PolarHBondContact O-N 2.04Å; V34-V47 HydrophobicContact CG1-CG1 4.11Å; V34-L51 HydrophobicContact CG2-CD1 4.32Å; V34-L51 HydrophobicContact CG2-CD2 3.81Å; V34-M69 HydrophobicContact CG1-CB 4.34Å; V34-M69 HydrophobicContact CG2-CB 4.29Å
35	Q	67.8	Low	66.9	Low	170 Å²	170	86.4 Å²	86.4	79%	0.794	46%	0.461	S	S	*	.			trans	-66.5	128	173.4	-68.2	-178.8	-13.3	0	0	108.4	P33 P37	P33-Q35 PolarHBondContact O-N 3.24Å; P33-Q35 VanDerWaalsContact O-N 3.11Å; Q35-P37 WeakPolarHBondContact O-CD 3.33Å
36	R	62.2	Low	66.2	Low	145 Å²	145	89.1 Å²	89.1	55%	0.547	48%	0.478	S	S	.	.			trans	-66.6	115.9	168.8	-68.7	-169.9	-165.6	-172.6	9.5	107	V34 E38 Y71 E137	V34-R36 PolarHBondContact O-N 2.04Å; R36-E38 PolarHBondContact O-N 3.16Å; R36-E38 VanDerWaalsContact O-N 3.16Å; R36-Y71 PolarHBondContact NH2-OH 3.07Å; R36-E137 IonicContact CZ-OE2 3.55Å; R36-E137 VanDerWaalsContact CZ-OE2 3.26Å; R36-E137 IonicContact NH1-OE2 3.59Å; R36-E137 PolarHBondContact NH1-OE2 3.45Å; R36-E137 IonicContact NH2-OE2 3.66Å; R36-E137 PolarHBondContact NH2-OE2 2.8Å
37	P	54.4	Low	65.6	Low	92 Å²	92	91 Å²	91	60%	0.597	49%	0.49	S	S	*	.			trans	-66.4	119	172.3	26	-29.8	0	0	0	107.9	Q35 M39 V47	Q35-P37 WeakPolarHBondContact O-CD 3.33Å; P37-M39 PolarHBondContact O-N 3.17Å; P37-M39 VanDerWaalsContact O-N 3.15Å; P37-V47 HydrophobicContact CG-CG2 4.4Å
38	E	49.5	Very low	65.4	Low	191 Å²	191	90.7 Å²	90.7	89%	0.893	49%	0.489	S	S	*	.	S	Bend	trans	-70.4	-1.1	178.2	-72.3	-166.7	152.9	0	0	113.5	R36	R36-E38 PolarHBondContact O-N 3.16Å; R36-E38 VanDerWaalsContact O-N 3.16Å
39	M	48.4	Very low	65.1	Low	148 Å²	148	93.5 Å²	93.5	73%	0.729	51%	0.509	S	S	*	.	S	Bend	trans	-159.9	135.9	176.6	-110.1	177.2	-81.4	0	0	111.3	P37 I41	P37-M39 PolarHBondContact O-N 3.17Å; P37-M39 VanDerWaalsContact O-N 3.15Å; M39-I41 VanDerWaalsContact C-N 3.31Å; M39-I41 HydrophobicContact CB-CG1 4.36Å; M39-I41 PolarHBondContact O-N 3.38Å
40	F	50.8	Low	64.9	Low	201 Å²	201	99.8 Å²	99.8	88%	0.882	54%	0.538	S	S	*	.			trans	-69.5	85.5	167.1	-70	-89	0	0	0	109.4	I42	F40-I42 PolarHBondContact O-N 2.83Å
41	I	49.7	Very low	64.9	Low	123 Å²	123	100.3 Å²	100.3	63%	0.631	54%	0.54	S	S	*	.			trans	-78.2	120.8	172.2	-58.1	-179.8	0	0	0	108.3	M39 G43 A44	M39-I41 VanDerWaalsContact C-N 3.31Å; M39-I41 HydrophobicContact CB-CG1 4.36Å; M39-I41 PolarHBondContact O-N 3.38Å; I41-G43 PolarHBondContact O-N 2.86Å; I41-G43 VanDerWaalsContact O-N 3.09Å; I41-A44 PolarHBondContact O-N 2.88Å; I41-A44 VanDerWaalsContact O-N 3.09Å
42	I	41.2	Very low	64.8	Low	177 Å²	177	100 Å²	100	91%	0.908	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	112.8	171.7	-61.4	172.9	0	0	0	108.1	F40	F40-I42 PolarHBondContact O-N 2.83Å
43	G	48.8	Very low	64.9	Low	78 Å²	78	97.4 Å²	97.4	80%	0.804	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.1	-3.1	-178.3	0	0	0	0	0	115.7	I41 Q45	I41-G43 PolarHBondContact O-N 2.86Å; I41-G43 VanDerWaalsContact O-N 3.09Å; G43-Q45 PolarHBondContact O-N 3.41Å
44	A	52.7	Low	65.6	Low	72 Å²	72	92.8 Å²	92.8	60%	0.595	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-67.1	125.7	168.6	0	0	0	0	0	110.2	I41	I41-A44 PolarHBondContact O-N 2.88Å; I41-A44 VanDerWaalsContact O-N 3.09Å
45	Q	53.6	Low	66.3	Low	129 Å²	129	91.9 Å²	91.9	60%	0.603	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-50	136.7	169.5	-78.4	-89.3	-28.3	0	0	109.6	G43 V47	G43-Q45 PolarHBondContact O-N 3.41Å; Q45-V47 PolarHBondContact O-N 3.22Å; Q45-V47 VanDerWaalsContact O-N 3.12Å
46	P	67.4	Low	67.5	Low	67 Å²	67	87.8 Å²	87.8	44%	0.435	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-60.2	122.4	-176.5	21.4	-30.3	0	0	0	109.8	C48 S49	P46-C48 PolarHBondContact O-N 3.49Å; P46-S49 WeakPolarHBondContact O-CB 3.3Å; P46-S49 PolarHBondContact O-N 2.02Å
47	V	76.5	Confident	68.9	Low	45 Å²	45	81.7 Å²	81.7	27%	0.273	47%	0.465	S	S	.	.	H	α-helix	trans	-42.3	-42.2	-176.8	175.8	0	0	0	0	111.6	V34 P37 Q45 S49 Q50 L51	V34-V47 HydrophobicContact CG1-CG1 4.11Å; P37-V47 HydrophobicContact CG-CG2 4.4Å; Q45-V47 PolarHBondContact O-N 3.22Å; Q45-V47 VanDerWaalsContact O-N 3.12Å; V47-S49 VanDerWaalsContact C-N 3.31Å; V47-S49 PolarHBondContact O-N 3.34Å; V47-Q50 PolarHBondContact O-N 3.32Å; V47-Q50 VanDerWaalsContact O-N 3.14Å; V47-L51 WeakPolarHBondContact O-CG 3.16Å; V47-L51 PolarHBondContact O-N 3.07Å
48	C	82.9	Confident	70.8	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.014	44%	0.436	C	S	.	.	H	α-helix	trans	-63.7	-24.2	-179.3	-60.2	0	0	0	0	116.5	P46 R59 C62 Q63	P46-C48 PolarHBondContact O-N 3.49Å; C48-R59 HydrophobicContact CB-CG 4.38Å; C48-C62 WeakPolarHBondContact CA-SG 3.07Å; C48-C62 HydrophobicContact CB-CB 3.74Å; C48-C62 WeakPolarHBondContact CB-SG 3.03Å; C48-C62 WeakPolarHBondContact SG-CB 3.23Å; C48-C62 PolarHBondContact SG-O 3.49Å; C48-C62 CovalentContact SG-SG 2.03Å; C48-C62 PolarHBondContact SG-SG 2.85Å; C48-Q63 HydrophobicContact CB-CG 4.16Å; C48-Q63 PolarHBondContact SG-N 3.26Å; C48-Q63 VanDerWaalsContact SG-N 3.4Å
49	S	79.9	Confident	72.9	Confident	59 Å²	59	72.2 Å²	72.2	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-78.8	-25.5	176.5	-66.2	0	0	0	0	111.9	P46 V47	P46-S49 WeakPolarHBondContact O-CB 3.3Å; P46-S49 PolarHBondContact O-N 2.02Å; V47-S49 VanDerWaalsContact C-N 3.31Å; V47-S49 PolarHBondContact O-N 3.34Å
50	Q	79.4	Confident	75	Confident	134 Å²	134	72 Å²	72	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-87.3	-18.8	-179.8	-62.5	-177.5	-9.6	0	0	112.9	V47 P52	V47-Q50 PolarHBondContact O-N 3.32Å; V47-Q50 VanDerWaalsContact O-N 3.14Å; Q50-P52 VanDerWaalsContact O-CD 3.22Å; Q50-P52 WeakPolarHBondContact O-CD 3.43Å
51	L	82.1	Confident	77	Confident	19 Å²	19	64 Å²	64	10%	0.099	37%	0.37	C	S	.	.	S	Bend	trans	-70.1	113.4	179.2	-65.2	179.8	0	0	0	110.7	L29 V34 V47 L54 M69	L29-L51 HydrophobicContact CD2-CB 4.23Å; L29-L51 HydrophobicContact CD2-CD1 4.07Å; L29-L51 HydrophobicContact CD2-CD2 3.88Å; L29-L51 HydrophobicContact CD2-CG 4.27Å; V34-L51 HydrophobicContact CG2-CD1 4.32Å; V34-L51 HydrophobicContact CG2-CD2 3.81Å; V47-L51 WeakPolarHBondContact O-CG 3.16Å; V47-L51 PolarHBondContact O-N 3.07Å; L51-L54 HydrophobicContact CB-CD1 3.85Å; L51-L54 HydrophobicContact CB-CG 4.17Å; L51-L54 HydrophobicContact CD1-CD1 4.1Å; L51-M69 HydrophobicContact CD1-CB 4.37Å; L51-M69 HydrophobicContact CD1-CE 3.71Å; L51-M69 HydrophobicContact CD1-CG 4.33Å
52	P	81	Confident	79.1	Confident	53 Å²	53	58.1 Å²	58.1	34%	0.344	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	145.6	-179.6	30.5	-34.3	0	0	0	110.5	S28 Q50	S28-P52 PolarHBondContact OG-O 3.21Å; Q50-P52 VanDerWaalsContact O-CD 3.22Å; Q50-P52 WeakPolarHBondContact O-CD 3.43Å
53	G	83.3	Confident	81.4	Confident	8 Å²	8	54.5 Å²	54.5	8%	0.082	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	9.8	172.2	0	0	0	0	0	116.5	S25 W26 R179	S25-G53 CarbonylContact C-O 3.57Å; W26-G53 PolarHBondContact N-O 3.39Å; W26-G53 VanDerWaalsContact N-O 3.11Å; G53-R179 PolarHBondContact O-NH2 3.33Å
54	L	89.5	Confident	83.5	Confident	9 Å²	9	56.9 Å²	56.9	5%	0.047	31%	0.313	C	S	.	.			trans	-80.1	134.1	167.3	-60.9	-173.7	0	0	0	111.6	W26 L29 L51 Q58 C62 M69 F175	W26-L54 HydrophobicContact CB-CD2 4.08Å; L29-L54 HydrophobicContact CD1-CD2 4.22Å; L51-L54 HydrophobicContact CB-CD1 3.85Å; L51-L54 HydrophobicContact CB-CG 4.17Å; L51-L54 HydrophobicContact CD1-CD1 4.1Å; L54-Q58 HydrophobicContact CB-CB 4.11Å; L54-Q58 HydrophobicContact CD2-CB 4.14Å; L54-C62 HydrophobicContact CD1-CB 4.05Å; L54-M69 HydrophobicContact CD1-CE 4.02Å; L54-M69 HydrophobicContact CD2-CE 4.16Å; L54-F175 HydrophobicContact CD2-CE2 4.38Å; L54-F175 HydrophobicContact CD2-CZ 3.83Å
55	S	91.6	Very high	85.4	Confident	8 Å²	8	57.3 Å²	57.3	6%	0.056	30%	0.299	C	S	.	.			trans	-68.2	162.2	166.3	74.6	0	0	0	0	111.3	G57 Q58 R59 E182	S55-G57 VanDerWaalsContact C-N 3.29Å; S55-G57 PolarHBondContact O-N 2.74Å; S55-Q58 PolarHBondContact O-N 3.41Å; S55-Q58 VanDerWaalsContact O-N 3.16Å; S55-Q58 VanDerWaalsContact OG-CG 3.29Å; S55-Q58 WeakPolarHBondContact OG-CG 3.31Å; S55-Q58 PolarHBondContact OG-N 3.37Å; S55-R59 WeakPolarHBondContact O-CB 3.07Å; S55-R59 PolarHBondContact O-N 2.84Å; S55-E182 WeakPolarHBondContact CB-OE2 3.12Å; S55-E182 PolarHBondContact OG-OE1 2.93Å; S55-E182 PolarHBondContact OG-OE2 2.97Å
56	P	91.9	Very high	87.1	Confident	83 Å²	83	55.8 Å²	55.8	54%	0.539	29%	0.292	S	S	.	.	H	α-helix	trans	-48.8	-43.9	172.1	-30.4	34.8	0	0	0	114.7	R59 K60 E182	P56-R59 PolarHBondContact O-N 3.28Å; P56-K60 WeakPolarHBondContact O-CG 3.31Å; P56-K60 PolarHBondContact O-N 3.29Å; P56-E182 WeakPolarHBondContact CD-OE2 3.24Å
57	G	92.5	Very high	88.2	Confident	18 Å²	18	57 Å²	57	19%	0.186	29%	0.292	C	S	.	.	H	α-helix	trans	-70.8	-39.7	176.8	0	0	0	0	0	113.1	S55 R59 K60 L61 E182	S55-G57 VanDerWaalsContact C-N 3.29Å; S55-G57 PolarHBondContact O-N 2.74Å; G57-R59 VanDerWaalsContact C-N 3.27Å; G57-R59 PolarHBondContact O-N 3.26Å; G57-K60 WeakPolarHBondContact O-CB 3.42Å; G57-K60 PolarHBondContact O-N 3.32Å; G57-L61 PolarHBondContact O-N 3.3Å; G57-E182 WeakPolarHBondContact CA-OE1 3.33Å; G57-E182 VanDerWaalsContact N-CD 3.27Å; G57-E182 PolarHBondContact N-OE1 2.98Å; G57-E182 PolarHBondContact N-OE2 3.27Å
58	Q	94.2	Very high	89.1	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-34.9	173.1	-70	177.1	-40.1	0	0	112.2	L54 S55 L61 C62 F175 A178	L54-Q58 HydrophobicContact CB-CB 4.11Å; L54-Q58 HydrophobicContact CD2-CB 4.14Å; S55-Q58 PolarHBondContact O-N 3.41Å; S55-Q58 VanDerWaalsContact O-N 3.16Å; S55-Q58 VanDerWaalsContact OG-CG 3.29Å; S55-Q58 WeakPolarHBondContact OG-CG 3.31Å; S55-Q58 PolarHBondContact OG-N 3.37Å; Q58-L61 PolarHBondContact O-N 3.28Å; Q58-C62 WeakPolarHBondContact O-CB 3.36Å; Q58-C62 PolarHBondContact O-N 1.99Å; Q58-F175 HydrophobicContact CB-CD2 4.45Å; Q58-F175 HydrophobicContact CB-CE2 3.92Å; Q58-F175 HydrophobicContact CB-CZ 4.27Å; Q58-F175 HydrophobicContact CG-CD2 4.36Å; Q58-F175 HydrophobicContact CG-CE2 4.13Å; Q58-F175 HydrophobicContact CG-CZ 4.26Å; Q58-F175 WeakPolarHBondContact CG-O 3.34Å; Q58-F175 PolarHBondContact NE2-O 3.15Å; Q58-A178 HydrophobicContact CG-CB 3.8Å
59	R	92.8	Very high	89.5	Confident	84 Å²	84	55 Å²	55	32%	0.317	28%	0.28	S	S	.	.	H	α-helix	trans	-66.6	-39	175.9	-170.5	174.3	-66.5	118.5	3.4	111.9	C48 S55 P56 G57 C62 Q63	C48-R59 HydrophobicContact CB-CG 4.38Å; S55-R59 WeakPolarHBondContact O-CB 3.07Å; S55-R59 PolarHBondContact O-N 2.84Å; P56-R59 PolarHBondContact O-N 3.28Å; G57-R59 VanDerWaalsContact C-N 3.27Å; G57-R59 PolarHBondContact O-N 3.26Å; R59-C62 WeakPolarHBondContact O-CB 3.36Å; R59-C62 PolarHBondContact O-N 3.33Å; R59-Q63 WeakPolarHBondContact O-CG 3.48Å; R59-Q63 PolarHBondContact O-N 2.87Å
60	K	92.8	Very high	90.1	Very high	144 Å²	144	53 Å²	53	63%	0.626	27%	0.267	S	S	*	.	H	α-helix	trans	-62.1	-44.6	172.5	-68.6	175.2	-178.5	-179.7	0	111.3	P56 G57 Q63 L64	P56-K60 WeakPolarHBondContact O-CG 3.31Å; P56-K60 PolarHBondContact O-N 3.29Å; G57-K60 WeakPolarHBondContact O-CB 3.42Å; G57-K60 PolarHBondContact O-N 3.32Å; K60-Q63 PolarHBondContact O-N 3.45Å; K60-L64 WeakPolarHBondContact O-CG 3.5Å; K60-L64 PolarHBondContact O-N 2.96Å
61	L	93.7	Very high	90.8	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-63.2	-41.3	175.8	-70.5	172.2	0	0	0	111.9	G57 Q58 Q63 L64 Y65 E174 F175 A178	G57-L61 PolarHBondContact O-N 3.3Å; Q58-L61 PolarHBondContact O-N 3.28Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 3.26Å; L61-L64 PolarHBondContact O-N 3.5Å; L61-Y65 HydrophobicContact CD2-CD2 4.36Å; L61-Y65 HydrophobicContact CD2-CE2 4.31Å; L61-Y65 WeakPolarHBondContact O-CB 3.03Å; L61-Y65 WeakPolarHBondContact O-CD2 3.32Å; L61-Y65 PolarHBondContact O-N 3Å; L61-E174 HydrophobicContact CD1-CB 4.3Å; L61-F175 HydrophobicContact CB-CD2 4.17Å; L61-F175 HydrophobicContact CD1-CB 4.13Å; L61-F175 HydrophobicContact CD1-CD2 4.2Å; L61-A178 HydrophobicContact CD1-CB 4.46Å
62	C	92.3	Very high	91.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-44	174.4	178.1	0	0	0	0	111.7	C48 L54 Q58 R59 L64 Y65 Q66 M69	C48-C62 WeakPolarHBondContact CA-SG 3.07Å; C48-C62 HydrophobicContact CB-CB 3.74Å; C48-C62 WeakPolarHBondContact CB-SG 3.03Å; C48-C62 WeakPolarHBondContact SG-CB 3.23Å; C48-C62 PolarHBondContact SG-O 3.49Å; C48-C62 CovalentContact SG-SG 2.03Å; C48-C62 PolarHBondContact SG-SG 2.85Å; L54-C62 HydrophobicContact CD1-CB 4.05Å; Q58-C62 WeakPolarHBondContact O-CB 3.36Å; Q58-C62 PolarHBondContact O-N 1.99Å; R59-C62 WeakPolarHBondContact O-CB 3.36Å; R59-C62 PolarHBondContact O-N 3.33Å; C62-L64 VanDerWaalsContact C-N 3.25Å; C62-L64 PolarHBondContact O-N 3.29Å; C62-Y65 CarbonylContact O-C 3.48Å; C62-Y65 PolarHBondContact O-N 2.6Å; C62-Q66 WeakPolarHBondContact O-CA 3.25Å; C62-Q66 WeakPolarHBondContact O-CG 3.36Å; C62-Q66 PolarHBondContact O-N 3.01Å; C62-Q66 VanDerWaalsContact O-N 3.14Å; C62-M69 HydrophobicContact CB-CE 4.29Å; C62-M69 HydrophobicContact CB-CG 4.2Å; C62-M69 HydrophobicContact CB-SD 3.64Å; C62-M69 WeakPolarHBondContact SG-CG 2.97Å; C62-M69 VanDerWaalsContact SG-SD 3.68Å
63	Q	91.5	Very high	92	Very high	101 Å²	101	44.2 Å²	44.2	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-34.6	179.6	-72.9	170.3	-18	0	0	112.5	C48 R59 K60 L61 Q66	C48-Q63 HydrophobicContact CB-CG 4.16Å; C48-Q63 PolarHBondContact SG-N 3.26Å; C48-Q63 VanDerWaalsContact SG-N 3.4Å; R59-Q63 WeakPolarHBondContact O-CG 3.48Å; R59-Q63 PolarHBondContact O-N 2.87Å; K60-Q63 PolarHBondContact O-N 3.45Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 3.26Å; Q63-Q66 PolarHBondContact O-NE2 2.91Å
64	L	92.1	Very high	92.6	Very high	128 Å²	128	48.7 Å²	48.7	67%	0.67	24%	0.241	S	C	*	.	H	α-helix	trans	-80.7	-33.8	178.1	-65.3	171.8	0	0	0	113	K60 L61 C62	K60-L64 WeakPolarHBondContact O-CG 3.5Å; K60-L64 PolarHBondContact O-N 2.96Å; L61-L64 PolarHBondContact O-N 3.5Å; C62-L64 VanDerWaalsContact C-N 3.25Å; C62-L64 PolarHBondContact O-N 3.29Å
65	Y	92.9	Very high	92.9	Very high	80 Å²	80	48.3 Å²	48.3	31%	0.314	24%	0.238	S	C	.	.			trans	-127.8	57.6	-170.5	-62.3	-73.8	0	0	0	110.8	L61 C62 E67 H68 T140 F171	L61-Y65 HydrophobicContact CD2-CD2 4.36Å; L61-Y65 HydrophobicContact CD2-CE2 4.31Å; L61-Y65 WeakPolarHBondContact O-CB 3.03Å; L61-Y65 WeakPolarHBondContact O-CD2 3.32Å; L61-Y65 PolarHBondContact O-N 3Å; C62-Y65 CarbonylContact O-C 3.48Å; C62-Y65 PolarHBondContact O-N 2.6Å; Y65-E67 VanDerWaalsContact C-N 3.33Å; Y65-E67 PolarHBondContact O-N 2.64Å; Y65-H68 AromaticContact CD1-CE1 3.74Å; Y65-H68 WeakPolarHBondContact O-CB 3.37Å; Y65-H68 PolarHBondContact O-N 3.26Å; Y65-T140 HydrophobicContact CD1-CG2 4.41Å; Y65-T140 HydrophobicContact CE1-CG2 4.3Å; Y65-F171 HydrophobicContact CD1-CE2 4.34Å; Y65-F171 AromaticContact CD2-CE2 3.88Å; Y65-F171 HydrophobicContact CD2-CE2 3.88Å; Y65-F171 AromaticContact CG-CE2 3.77Å; Y65-F171 HydrophobicContact CG-CE2 3.77Å
66	Q	89.8	Confident	93.1	Very high	98 Å²	98	47.9 Å²	47.9	46%	0.458	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-40.4	-174.4	-65.6	-179.1	24.5	0	0	112.4	C62 Q63 H68 M69	C62-Q66 WeakPolarHBondContact O-CA 3.25Å; C62-Q66 WeakPolarHBondContact O-CG 3.36Å; C62-Q66 PolarHBondContact O-N 3.01Å; C62-Q66 VanDerWaalsContact O-N 3.14Å; Q63-Q66 PolarHBondContact O-NE2 2.91Å; Q66-H68 PolarHBondContact O-N 3.29Å; Q66-M69 WeakPolarHBondContact O-CB 3.42Å; Q66-M69 WeakPolarHBondContact O-CG 3.28Å; Q66-M69 PolarHBondContact O-N 2.93Å
67	E	90.1	Very high	93.2	Very high	93 Å²	93	48.8 Å²	48.8	44%	0.435	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.6	178.1	-63	177.3	167.1	0	0	112.3	Y65 M69 L138 S139	Y65-E67 VanDerWaalsContact C-N 3.33Å; Y65-E67 PolarHBondContact O-N 2.64Å; E67-M69 VanDerWaalsContact C-N 3.27Å; E67-M69 PolarHBondContact O-N 3.47Å; E67-L138 HydrophobicContact CB-CD2 3.8Å; E67-S139 WeakPolarHBondContact OE2-CB 3.29Å; E67-S139 PolarHBondContact OE2-N 2.73Å; E67-S139 PolarHBondContact OE2-OG 2.89Å
68	H	93.9	Very high	93.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-70.6	-24.5	-177.5	-61.6	52.7	0	0	0	112.4	Y65 Q66 A70 Y71 I72 I129 T140 Y167 F171	Y65-H68 AromaticContact CD1-CE1 3.74Å; Y65-H68 WeakPolarHBondContact O-CB 3.37Å; Y65-H68 PolarHBondContact O-N 3.26Å; Q66-H68 PolarHBondContact O-N 3.29Å; H68-A70 VanDerWaalsContact C-N 3.3Å; H68-A70 PolarHBondContact O-N 3.42Å; H68-Y71 CarbonylContact O-C 3.49Å; H68-Y71 PolarHBondContact O-N 3Å; H68-I72 HydrophobicContact CB-CD1 4.33Å; H68-I72 VanDerWaalsContact O-CG1 3.29Å; H68-I72 WeakPolarHBondContact O-CG1 3.15Å; H68-I72 PolarHBondContact O-N 3.11Å; H68-I129 HydrophobicContact CB-CD1 4.02Å; H68-T140 PolarHBondContact CE1-OG1 3.44Å; H68-T140 PolarHBondContact NE2-OG1 2.96Å; H68-Y167 AromaticContact NE2-CE1 3.74Å; H68-Y167 AromaticContact NE2-CZ 3.69Å; H68-Y167 PolarHBondContact NE2-OH 3.37Å; H68-F171 HydrophobicContact CB-CE1 4.05Å; H68-F171 HydrophobicContact CB-CE2 4.16Å; H68-F171 HydrophobicContact CB-CZ 3.56Å; H68-F171 AromaticContact CD2-CD2 3.72Å; H68-F171 AromaticContact CD2-CE2 3.46Å; H68-F171 VanDerWaalsContact CD2-CE2 3.46Å; H68-F171 WeakPolarHBondContact CD2-CE2 3.2Å; H68-F171 AromaticContact CD2-CZ 3.63Å; H68-F171 AromaticContact CG-CE2 3.9Å; H68-F171 AromaticContact CG-CZ 3.81Å
69	M	92.1	Very high	93.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-35.8	-171.7	-63.1	-53.9	-54.2	0	0	113.1	L29 V34 L51 L54 C62 Q66 E67 I72 G73 F175	L29-M69 HydrophobicContact CD1-CE 3.57Å; V34-M69 HydrophobicContact CG1-CB 4.34Å; V34-M69 HydrophobicContact CG2-CB 4.29Å; L51-M69 HydrophobicContact CD1-CB 4.37Å; L51-M69 HydrophobicContact CD1-CE 3.71Å; L51-M69 HydrophobicContact CD1-CG 4.33Å; L54-M69 HydrophobicContact CD1-CE 4.02Å; L54-M69 HydrophobicContact CD2-CE 4.16Å; C62-M69 HydrophobicContact CB-CE 4.29Å; C62-M69 HydrophobicContact CB-CG 4.2Å; C62-M69 HydrophobicContact CB-SD 3.64Å; C62-M69 WeakPolarHBondContact SG-CG 2.97Å; C62-M69 VanDerWaalsContact SG-SD 3.68Å; Q66-M69 WeakPolarHBondContact O-CB 3.42Å; Q66-M69 WeakPolarHBondContact O-CG 3.28Å; Q66-M69 PolarHBondContact O-N 2.93Å; E67-M69 VanDerWaalsContact C-N 3.27Å; E67-M69 PolarHBondContact O-N 3.47Å; M69-I72 HydrophobicContact CE-CD1 4.21Å; M69-I72 PolarHBondContact O-N 2.93Å; M69-I72 HydrophobicContact SD-CD1 3.67Å; M69-G73 PolarHBondContact O-N 2.04Å; M69-G73 VanDerWaalsContact O-N 3.11Å; M69-F175 HydrophobicContact CE-CE2 4.06Å; M69-F175 HydrophobicContact CE-CZ 3.98Å; M69-F175 HydrophobicContact SD-CE2 4.06Å; M69-F175 HydrophobicContact SD-CZ 4.5Å
70	A	92	Very high	93.6	Very high	18 Å²	18	46.7 Å²	46.7	15%	0.149	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-46.6	174	0	0	0	0	0	111	H68 G73 E74	H68-A70 VanDerWaalsContact C-N 3.3Å; H68-A70 PolarHBondContact O-N 3.42Å; A70-G73 PolarHBondContact O-N 3.48Å; A70-E74 PolarHBondContact O-N 2.91Å
71	Y	95.6	Very high	93.8	Very high	14 Å²	14	45.8 Å²	45.8	6%	0.055	22%	0.22	C	C	.	.	H	α-helix	trans	-72.9	-28.4	-179.7	-66.9	-70	0	0	0	113.9	R36 H68 G73 E74 G75 A128 A132 E137 L138	R36-Y71 PolarHBondContact NH2-OH 3.07Å; H68-Y71 CarbonylContact O-C 3.49Å; H68-Y71 PolarHBondContact O-N 3Å; Y71-G73 VanDerWaalsContact C-N 3.34Å; Y71-E74 WeakPolarHBondContact CD1-OE2 3.44Å; Y71-E74 PolarHBondContact O-N 3.45Å; Y71-G75 PolarHBondContact O-N 3.42Å; Y71-A128 VanDerWaalsContact O-CB 3.28Å; Y71-A128 WeakPolarHBondContact O-CB 3.38Å; Y71-A132 HydrophobicContact CD1-CB 3.61Å; Y71-A132 HydrophobicContact CD2-CB 3.85Å; Y71-A132 HydrophobicContact CE1-CB 3.62Å; Y71-A132 HydrophobicContact CE2-CB 3.84Å; Y71-A132 HydrophobicContact CG-CB 3.71Å; Y71-E137 HydrophobicContact CE2-CB 3.91Å; Y71-E137 WeakPolarHBondContact OH-CB 2.99Å; Y71-E137 VanDerWaalsContact OH-CD 3.31Å; Y71-E137 WeakPolarHBondContact OH-CG 3.17Å; Y71-E137 PolarHBondContact OH-OE2 3.36Å; Y71-L138 HydrophobicContact CD2-CD2 3.74Å; Y71-L138 HydrophobicContact CD2-CG 4.29Å; Y71-L138 HydrophobicContact CE2-CD2 3.93Å; Y71-L138 HydrophobicContact CE2-CG 4.35Å
72	I	95.1	Very high	94	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-44.5	168.5	-66.7	167.3	0	0	0	109.8	W26 L29 H68 M69 G75 A76 V125 I129 F171 F175	W26-I72 HydrophobicContact CE3-CG2 3.78Å; W26-I72 HydrophobicContact CZ3-CG2 3.79Å; L29-I72 HydrophobicContact CD1-CG2 3.83Å; H68-I72 HydrophobicContact CB-CD1 4.33Å; H68-I72 VanDerWaalsContact O-CG1 3.29Å; H68-I72 WeakPolarHBondContact O-CG1 3.15Å; H68-I72 PolarHBondContact O-N 3.11Å; M69-I72 HydrophobicContact CE-CD1 4.21Å; M69-I72 PolarHBondContact O-N 2.93Å; M69-I72 HydrophobicContact SD-CD1 3.67Å; I72-G75 PolarHBondContact O-N 2.89Å; I72-A76 WeakPolarHBondContact O-CB 3.31Å; I72-A76 PolarHBondContact O-N 3.25Å; I72-V125 HydrophobicContact CG1-CG1 4.36Å; I72-V125 HydrophobicContact CG2-CG2 4.4Å; I72-I129 HydrophobicContact CG1-CD1 4.37Å; I72-F171 HydrophobicContact CD1-CE1 3.6Å; I72-F171 HydrophobicContact CD1-CZ 3.82Å; I72-F171 HydrophobicContact CG1-CE1 3.84Å; I72-F171 HydrophobicContact CG1-CZ 4.49Å; I72-F175 HydrophobicContact CD1-CD1 3.97Å; I72-F175 HydrophobicContact CD1-CD2 3.84Å; I72-F175 HydrophobicContact CD1-CE1 3.93Å; I72-F175 HydrophobicContact CD1-CE2 3.77Å; I72-F175 HydrophobicContact CD1-CG 3.93Å; I72-F175 HydrophobicContact CD1-CZ 3.82Å; I72-F175 HydrophobicContact CG2-CD1 4.09Å; I72-F175 HydrophobicContact CG2-CE1 3.51Å; I72-F175 HydrophobicContact CG2-CZ 4Å
73	G	93	Very high	94.3	Very high	6 Å²	6	44.7 Å²	44.7	6%	0.062	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-45.2	174.9	0	0	0	0	0	112.6	L29 M69 A70 Y71 G75 A76 K77	L29-G73 WeakPolarHBondContact O-CA 3.42Å; M69-G73 PolarHBondContact O-N 2.04Å; M69-G73 VanDerWaalsContact O-N 3.11Å; A70-G73 PolarHBondContact O-N 3.48Å; Y71-G73 VanDerWaalsContact C-N 3.34Å; G73-G75 PolarHBondContact O-N 3.22Å; G73-A76 PolarHBondContact O-N 3.04Å; G73-K77 WeakPolarHBondContact O-CB 2.98Å; G73-K77 PolarHBondContact O-N 2.77Å
74	E	94.8	Very high	94.6	Very high	103 Å²	103	43 Å²	43	48%	0.481	21%	0.206	S	C	.	.	H	α-helix	trans	-61.9	-41.2	174.2	-70.2	-175.5	169.9	0	0	112.7	A70 Y71 K77 T78	A70-E74 PolarHBondContact O-N 2.91Å; Y71-E74 WeakPolarHBondContact CD1-OE2 3.44Å; Y71-E74 PolarHBondContact O-N 3.45Å; E74-K77 PolarHBondContact O-N 2.95Å; E74-T78 WeakPolarHBondContact O-CB 2.97Å; E74-T78 PolarHBondContact O-N 2.95Å; E74-T78 PolarHBondContact O-OG1 3.16Å
75	G	97	Very high	94.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-46.3	175.3	0	0	0	0	0	112.1	Y71 I72 G73 K77 T78 G79 G124	Y71-G75 PolarHBondContact O-N 3.42Å; I72-G75 PolarHBondContact O-N 2.89Å; G73-G75 PolarHBondContact O-N 3.22Å; G75-K77 PolarHBondContact O-N 3.18Å; G75-T78 PolarHBondContact O-N 2.8Å; G75-G79 PolarHBondContact O-N 3.45Å; G75-G124 VanDerWaalsContact CA-C 3.47Å; G75-G124 VanDerWaalsContact CA-O 3.23Å; G75-G124 WeakPolarHBondContact CA-O 3.37Å; G75-G124 WeakPolarHBondContact O-CA 3.35Å
76	A	94.6	Very high	95.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-46.1	174.1	0	0	0	0	0	111.6	W26 A30 I72 G73 T78 G79 I80	W26-A76 HydrophobicContact CE3-CB 4.42Å; W26-A76 HydrophobicContact CH2-CB 4.3Å; W26-A76 HydrophobicContact CZ3-CB 3.71Å; A30-A76 HydrophobicContact CB-CB 3.81Å; I72-A76 WeakPolarHBondContact O-CB 3.31Å; I72-A76 PolarHBondContact O-N 3.25Å; G73-A76 PolarHBondContact O-N 3.04Å; A76-T78 VanDerWaalsContact C-N 3.32Å; A76-T78 PolarHBondContact O-N 3.35Å; A76-G79 PolarHBondContact O-N 3.36Å; A76-I80 WeakPolarHBondContact O-CD1 3.44Å; A76-I80 VanDerWaalsContact O-CG1 3.31Å; A76-I80 WeakPolarHBondContact O-CG1 3.44Å; A76-I80 PolarHBondContact O-N 2.62Å
77	K	94.3	Very high	95.4	Very high	101 Å²	101	32.1 Å²	32.1	44%	0.439	15%	0.154	S	C	.	.	H	α-helix	trans	-60.9	-41.4	177.5	-174.7	176.5	-175.3	173.5	0	112.1	A30 G73 E74 G75 I80 K81	A30-K77 HydrophobicContact CB-CB 3.91Å; G73-K77 WeakPolarHBondContact O-CB 2.98Å; G73-K77 PolarHBondContact O-N 2.77Å; E74-K77 PolarHBondContact O-N 2.95Å; G75-K77 PolarHBondContact O-N 3.18Å; K77-I80 PolarHBondContact O-N 3.43Å; K77-K81 WeakPolarHBondContact O-CB 3.34Å; K77-K81 WeakPolarHBondContact O-CG 3.32Å; K77-K81 PolarHBondContact O-N 3.35Å
78	T	96.8	Very high	95.6	Very high	51 Å²	51	33.8 Å²	33.8	31%	0.313	16%	0.157	S	C	.	.	H	α-helix	trans	-63.9	-44.3	175.9	-60.2	0	0	0	0	110.8	E74 G75 A76 K81 E82 F238	E74-T78 WeakPolarHBondContact O-CB 2.97Å; E74-T78 PolarHBondContact O-N 2.95Å; E74-T78 PolarHBondContact O-OG1 3.16Å; G75-T78 PolarHBondContact O-N 2.8Å; A76-T78 VanDerWaalsContact C-N 3.32Å; A76-T78 PolarHBondContact O-N 3.35Å; T78-K81 PolarHBondContact O-N 3.42Å; T78-E82 WeakPolarHBondContact O-CB 3.47Å; T78-E82 PolarHBondContact O-N 2.85Å; T78-F238 HydrophobicContact CG2-CB 4.44Å; T78-F238 HydrophobicContact CG2-CD1 3.5Å; T78-F238 VanDerWaalsContact CG2-CD1 3.5Å; T78-F238 HydrophobicContact CG2-CD2 4.33Å; T78-F238 HydrophobicContact CG2-CE1 3.7Å; T78-F238 HydrophobicContact CG2-CG 3.83Å; T78-F238 HydrophobicContact CG2-CZ 4.22Å
79	G	97.2	Very high	95.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-46.2	174.6	0	0	0	0	0	113.4	G75 A76 E82 C83	G75-G79 PolarHBondContact O-N 3.45Å; A76-G79 PolarHBondContact O-N 3.36Å; G79-E82 PolarHBondContact O-N 2.65Å; G79-C83 WeakPolarHBondContact O-CB 3.13Å; G79-C83 PolarHBondContact O-N 2.7Å
80	I	95.1	Very high	95.7	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-47.9	177.8	-67.5	156.5	0	0	0	111.1	A30 A76 K77 E82 C83 Q84 T96 V102 F103	A30-I80 HydrophobicContact CB-CD1 3.31Å; A76-I80 WeakPolarHBondContact O-CD1 3.44Å; A76-I80 VanDerWaalsContact O-CG1 3.31Å; A76-I80 WeakPolarHBondContact O-CG1 3.44Å; A76-I80 PolarHBondContact O-N 2.62Å; K77-I80 PolarHBondContact O-N 3.43Å; I80-E82 VanDerWaalsContact C-N 3.28Å; I80-E82 PolarHBondContact O-N 2.8Å; I80-C83 WeakPolarHBondContact O-CB 3.5Å; I80-C83 PolarHBondContact O-N 2.88Å; I80-Q84 WeakPolarHBondContact O-CG 3.45Å; I80-Q84 PolarHBondContact O-N 2.92Å; I80-T96 HydrophobicContact CG2-CG2 3.71Å; I80-V102 HydrophobicContact CD1-CG1 3.68Å; I80-V102 HydrophobicContact CG1-CG1 4.25Å; I80-F103 HydrophobicContact CB-CZ 4.3Å; I80-F103 HydrophobicContact CG1-CE1 4.33Å; I80-F103 HydrophobicContact CG1-CE2 4.05Å; I80-F103 HydrophobicContact CG1-CZ 3.52Å; I80-F103 HydrophobicContact CG2-CE1 4.41Å; I80-F103 HydrophobicContact CG2-CZ 4.35Å
81	K	96.6	Very high	95.8	Very high	125 Å²	125	43.9 Å²	43.9	54%	0.543	20%	0.195	S	C	.	.	H	α-helix	trans	-60.2	-41	178.7	-77.4	-179.3	174.9	-173	0	111.9	K77 T78 Q84 H85	K77-K81 WeakPolarHBondContact O-CB 3.34Å; K77-K81 WeakPolarHBondContact O-CG 3.32Å; K77-K81 PolarHBondContact O-N 3.35Å; T78-K81 PolarHBondContact O-N 3.42Å; K81-Q84 PolarHBondContact O-N 3.03Å; K81-H85 WeakPolarHBondContact O-CB 3.4Å; K81-H85 PolarHBondContact O-N 3.21Å
82	E	98.4	Very high	95.8	Very high	9 Å²	9	44.2 Å²	44.2	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-70	-37.6	177.9	-171.3	54.4	-152.2	0	0	111.5	T78 G79 I80 H85 Q86 V120 F238 R239	T78-E82 WeakPolarHBondContact O-CB 3.47Å; T78-E82 PolarHBondContact O-N 2.85Å; G79-E82 PolarHBondContact O-N 2.65Å; I80-E82 VanDerWaalsContact C-N 3.28Å; I80-E82 PolarHBondContact O-N 2.8Å; E82-H85 WeakPolarHBondContact O-CB 3.4Å; E82-H85 PolarHBondContact O-N 2.67Å; E82-H85 IonicContact OE1-CD2 3.84Å; E82-Q86 HydrophobicContact CG-CG 4.42Å; E82-Q86 WeakPolarHBondContact O-CB 3.22Å; E82-Q86 VanDerWaalsContact O-CG 3.28Å; E82-Q86 WeakPolarHBondContact O-CG 3.42Å; E82-Q86 PolarHBondContact O-N 3.01Å; E82-Q86 PolarHBondContact OE1-NE2 3.1Å; E82-V120 HydrophobicContact CB-CG2 4.27Å; E82-V120 HydrophobicContact CG-CG2 4.36Å; E82-F238 HydrophobicContact CB-CD1 3.81Å; E82-F238 HydrophobicContact CB-CE1 3.57Å; E82-F238 HydrophobicContact CG-CD1 3.89Å; E82-F238 HydrophobicContact CG-CE1 3.86Å; E82-R239 VanDerWaalsContact CD-NE 3.27Å; E82-R239 VanDerWaalsContact OE1-CD 3.28Å; E82-R239 WeakPolarHBondContact OE1-CD 3.33Å; E82-R239 IonicContact OE1-CZ 3.86Å; E82-R239 IonicContact OE1-NE 3.37Å; E82-R239 PolarHBondContact OE1-NE 2.92Å; E82-R239 IonicContact OE2-CZ 2.99Å; E82-R239 IonicContact OE2-NE 3.88Å; E82-R239 PolarHBondContact OE2-NE 3Å; E82-R239 IonicContact OE2-NH2 3.82Å; E82-R239 PolarHBondContact OE2-NH2 3.4Å
83	C	98	Very high	95.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-48.2	172.4	-172.5	0	0	0	0	112.2	G79 I80 H85 Q86 F87 C94 F116 V120	G79-C83 WeakPolarHBondContact O-CB 3.13Å; G79-C83 PolarHBondContact O-N 2.7Å; I80-C83 WeakPolarHBondContact O-CB 3.5Å; I80-C83 PolarHBondContact O-N 2.88Å; C83-H85 VanDerWaalsContact C-N 3.26Å; C83-H85 PolarHBondContact O-N 2.85Å; C83-Q86 PolarHBondContact O-N 3.05Å; C83-F87 WeakPolarHBondContact O-CB 3.46Å; C83-F87 WeakPolarHBondContact O-CD2 3.47Å; C83-F87 PolarHBondContact O-N 3.14Å; C83-C94 HydrophobicContact CB-CB 3.93Å; C83-C94 WeakPolarHBondContact CB-SG 3.45Å; C83-C94 WeakPolarHBondContact SG-CB 3.34Å; C83-C94 CovalentContact SG-SG 2.02Å; C83-C94 PolarHBondContact SG-SG 3.48Å; C83-F116 HydrophobicContact CB-CE1 3.96Å; C83-V120 HydrophobicContact CB-CG1 4.1Å
84	Q	96.6	Very high	95.7	Very high	67 Å²	67	46.5 Å²	46.5	31%	0.313	21%	0.207	S	C	.	.	H	α-helix	trans	-58.8	-40	174	-71.7	171	-8.6	0	0	111.7	I80 K81 R88 C94	I80-Q84 WeakPolarHBondContact O-CG 3.45Å; I80-Q84 PolarHBondContact O-N 2.92Å; K81-Q84 PolarHBondContact O-N 3.03Å; Q84-R88 WeakPolarHBondContact O-CA 3.07Å; Q84-R88 WeakPolarHBondContact O-CB 3.05Å; Q84-R88 PolarHBondContact O-N 3.49Å; Q84-C94 HydrophobicContact CG-CB 4.3Å; Q84-C94 WeakPolarHBondContact CG-O 3.4Å; Q84-C94 PolarHBondContact NE2-O 2.92Å
85	H	97.6	Very high	95.4	Very high	51 Å²	51	43 Å²	43	24%	0.236	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-53.8	174.7	-179.9	78.1	0	0	0	111.3	K81 E82 C83 F87 R88 R239	K81-H85 WeakPolarHBondContact O-CB 3.4Å; K81-H85 PolarHBondContact O-N 3.21Å; E82-H85 WeakPolarHBondContact O-CB 3.4Å; E82-H85 PolarHBondContact O-N 2.67Å; E82-H85 IonicContact OE1-CD2 3.84Å; C83-H85 VanDerWaalsContact C-N 3.26Å; C83-H85 PolarHBondContact O-N 2.85Å; H85-F87 VanDerWaalsContact C-N 3.26Å; H85-F87 PolarHBondContact O-N 3.5Å; H85-R88 PolarHBondContact CD2-NH1 3.48Å; H85-R88 PolarHBondContact CE1-NH1 2.73Å; H85-R88 PolarHBondContact NE2-NH1 3Å; H85-R88 WeakPolarHBondContact O-CD 3.46Å; H85-R88 VanDerWaalsContact O-CG 3.27Å; H85-R88 WeakPolarHBondContact O-CG 3.4Å; H85-R88 PolarHBondContact O-N 3.26Å; H85-R88 PolarHBondContact O-NH1 3.5Å; H85-R239 PolarHBondContact CD2-NE 2.92Å; H85-R239 VanDerWaalsContact CD2-NE 3.26Å; H85-R239 PolarHBondContact CD2-NH1 2.91Å; H85-R239 PolarHBondContact CD2-NH2 2.67Å; H85-R239 PolarHBondContact CE1-NH1 2.99Å; H85-R239 VanDerWaalsContact CG-CZ 3.44Å; H85-R239 VanDerWaalsContact CG-NH2 3.28Å; H85-R239 PolarHBondContact NE2-NH1 3.39Å
86	Q	98.1	Very high	94.7	Very high	25 Å²	25	45.6 Å²	45.6	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-30.5	-176.4	-68.5	-62.5	-19.5	0	0	112.7	E82 C83 F116 D243 K246	E82-Q86 HydrophobicContact CG-CG 4.42Å; E82-Q86 WeakPolarHBondContact O-CB 3.22Å; E82-Q86 VanDerWaalsContact O-CG 3.28Å; E82-Q86 WeakPolarHBondContact O-CG 3.42Å; E82-Q86 PolarHBondContact O-N 3.01Å; E82-Q86 PolarHBondContact OE1-NE2 3.1Å; C83-Q86 PolarHBondContact O-N 3.05Å; Q86-F116 HydrophobicContact CB-CZ 4.15Å; Q86-F116 HydrophobicContact CG-CZ 4.09Å; Q86-D243 PolarHBondContact NE2-OD1 3.07Å; Q86-K246 HydrophobicContact CB-CD 4.22Å; Q86-K246 HydrophobicContact CB-CG 4.49Å; Q86-K246 HydrophobicContact CG-CB 4.38Å
87	F	96.8	Very high	93.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-104.8	3.4	-176	-74.7	-96	0	0	0	114.9	C83 H85 Q89 R90 W92 N93 C94 F116 K246 Y249	C83-F87 WeakPolarHBondContact O-CB 3.46Å; C83-F87 WeakPolarHBondContact O-CD2 3.47Å; C83-F87 PolarHBondContact O-N 3.14Å; H85-F87 VanDerWaalsContact C-N 3.26Å; H85-F87 PolarHBondContact O-N 3.5Å; F87-Q89 PolarHBondContact O-N 2.74Å; F87-R90 HydrophobicContact CB-CB 4.46Å; F87-R90 HydrophobicContact CD1-CB 3.91Å; F87-R90 HydrophobicContact CD1-CG 3.87Å; F87-R90 HydrophobicContact CE1-CG 4.48Å; F87-R90 PolarHBondContact O-N 3.31Å; F87-W92 HydrophobicContact CB-CE3 4.32Å; F87-W92 HydrophobicContact CB-CZ3 4.42Å; F87-W92 AromaticContact CD1-CE3 3.45Å; F87-W92 HydrophobicContact CD1-CE3 3.45Å; F87-W92 VanDerWaalsContact CD1-CE3 3.45Å; F87-W92 AromaticContact CD1-CZ3 3.7Å; F87-W92 HydrophobicContact CD1-CZ3 3.7Å; F87-W92 HydrophobicContact CD2-CE3 4.5Å; F87-W92 AromaticContact CD2-CZ3 3.96Å; F87-W92 HydrophobicContact CD2-CZ3 3.96Å; F87-W92 AromaticContact CE1-CE3 3.8Å; F87-W92 HydrophobicContact CE1-CE3 3.8Å; F87-W92 AromaticContact CE1-CZ3 3.84Å; F87-W92 HydrophobicContact CE1-CZ3 3.84Å; F87-W92 HydrophobicContact CE2-CZ3 4.12Å; F87-W92 AromaticContact CG-CE3 3.84Å; F87-W92 HydrophobicContact CG-CE3 3.84Å; F87-W92 AromaticContact CG-CZ3 3.75Å; F87-W92 HydrophobicContact CG-CZ3 3.75Å; F87-W92 HydrophobicContact CZ-CE3 4.47Å; F87-W92 HydrophobicContact CZ-CZ3 4.05Å; F87-N93 WeakPolarHBondContact O-CA 3.36Å; F87-C94 HydrophobicContact CB-CB 4.2Å; F87-F116 HydrophobicContact CD2-CD1 4.3Å; F87-F116 HydrophobicContact CD2-CE1 4.16Å; F87-F116 AromaticContact CE2-CD1 3.48Å; F87-F116 HydrophobicContact CE2-CD1 3.48Å; F87-F116 VanDerWaalsContact CE2-CD1 3.48Å; F87-F116 HydrophobicContact CE2-CD2 4.18Å; F87-F116 AromaticContact CE2-CE1 3.62Å; F87-F116 HydrophobicContact CE2-CE1 3.62Å; F87-F116 HydrophobicContact CE2-CE2 4.27Å; F87-F116 AromaticContact CE2-CG 3.79Å; F87-F116 HydrophobicContact CE2-CG 3.79Å; F87-F116 HydrophobicContact CE2-CZ 4.01Å; F87-F116 HydrophobicContact CZ-CB 4.45Å; F87-F116 HydrophobicContact CZ-CD1 4.22Å; F87-F116 HydrophobicContact CZ-CG 4.16Å; F87-K246 HydrophobicContact CE2-CD 4.11Å; F87-K246 HydrophobicContact CZ-CD 4.24Å; F87-Y249 HydrophobicContact CE1-CD1 4.5Å; F87-Y249 HydrophobicContact CE1-CD2 4.35Å; F87-Y249 AromaticContact CE1-CE1 3.95Å; F87-Y249 HydrophobicContact CE1-CE1 3.95Å; F87-Y249 AromaticContact CE1-CE2 3.77Å; F87-Y249 HydrophobicContact CE1-CE2 3.77Å; F87-Y249 AromaticContact CE1-CZ 3.55Å; F87-Y249 HydrophobicContact CZ-CD1 4.1Å; F87-Y249 AromaticContact CZ-CD2 3.71Å; F87-Y249 HydrophobicContact CZ-CD2 3.71Å; F87-Y249 AromaticContact CZ-CE1 4Å; F87-Y249 HydrophobicContact CZ-CE1 4Å; F87-Y249 AromaticContact CZ-CE2 3.58Å; F87-Y249 HydrophobicContact CZ-CE2 3.58Å; F87-Y249 AromaticContact CZ-CG 3.98Å; F87-Y249 HydrophobicContact CZ-CG 3.98Å; F87-Y249 AromaticContact CZ-CZ 3.75Å
88	R	94.5	Very high	92.6	Very high	128 Å²	128	47.5 Å²	47.5	48%	0.483	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-29.5	-178.3	69	-171.1	-177	-87.5	3.4	114.9	Q84 H85 R302	Q84-R88 WeakPolarHBondContact O-CA 3.07Å; Q84-R88 WeakPolarHBondContact O-CB 3.05Å; Q84-R88 PolarHBondContact O-N 3.49Å; H85-R88 PolarHBondContact CD2-NH1 3.48Å; H85-R88 PolarHBondContact CE1-NH1 2.73Å; H85-R88 PolarHBondContact NE2-NH1 3Å; H85-R88 WeakPolarHBondContact O-CD 3.46Å; H85-R88 VanDerWaalsContact O-CG 3.27Å; H85-R88 WeakPolarHBondContact O-CG 3.4Å; H85-R88 PolarHBondContact O-N 3.26Å; H85-R88 PolarHBondContact O-NH1 3.5Å; R88-R302 PolarHBondContact O-NH2 3.15Å
89	Q	92.3	Very high	91.3	Very high	93 Å²	93	49.8 Å²	49.8	44%	0.435	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	8.6	-176.8	-85.4	172.6	-8.6	0	0	113.6	F87 M311 D312 M317	F87-Q89 PolarHBondContact O-N 2.74Å; Q89-M311 CarbonylContact O-C 3.54Å; Q89-D312 HydrophobicContact CB-CB 3.86Å; Q89-D312 HydrophobicContact CG-CB 3.67Å; Q89-D312 PolarHBondContact O-N 3.42Å; Q89-M317 WeakPolarHBondContact O-CE 3.4Å
90	R	94.6	Very high	89.9	Confident	48 Å²	48	52.4 Å²	52.4	18%	0.181	25%	0.253	C	S	.	.	S	Bend	trans	-104	157	175.4	-64.3	-68	-173.3	123.8	1.8	110.1	F87 W92 K246 D250 R302 M311 M317	F87-R90 HydrophobicContact CB-CB 4.46Å; F87-R90 HydrophobicContact CD1-CB 3.91Å; F87-R90 HydrophobicContact CD1-CG 3.87Å; F87-R90 HydrophobicContact CE1-CG 4.48Å; F87-R90 PolarHBondContact O-N 3.31Å; R90-W92 VanDerWaalsContact C-N 3.35Å; R90-W92 CarbonylContact C-O 3.6Å; R90-W92 WeakPolarHBondContact CB-O 3.27Å; R90-W92 CarbonylContact O-C 3.54Å; R90-W92 PolarHBondContact O-N 2.95Å; R90-K246 VanDerWaalsContact NH2-NZ 3.19Å; R90-D250 IonicContact CZ-OD1 2.8Å; R90-D250 IonicContact NH1-OD1 3.39Å; R90-D250 IonicContact NH2-OD1 2.77Å; R90-D250 PolarHBondContact NH2-OD1 3.22Å; R90-D250 IonicContact NH2-OD2 2.73Å; R90-R302 PolarHBondContact O-NH1 3.43Å; R90-R302 PolarHBondContact O-NH2 3.23Å; R90-M311 WeakPolarHBondContact CD-SD 3.42Å; R90-M311 PolarHBondContact NE-SD 2.86Å; R90-M311 PolarHBondContact NH1-SD 3.47Å; R90-M311 VanDerWaalsContact NH2-CE 3.35Å; R90-M317 VanDerWaalsContact C-CE 3.43Å
91	R	95.1	Very high	88.7	Confident	94 Å²	94	52.4 Å²	52.4	36%	0.355	25%	0.254	S	S	.	.	S	Bend	trans	-58.5	-42.4	-179.6	-63.3	-179	-175.6	155.2	1.9	112.9	T299 R302 L316 M317	R91-T299 HydrophobicContact CB-CG2 3.84Å; R91-T299 HydrophobicContact CG-CG2 3.96Å; R91-R302 VanDerWaalsContact C-NH1 3.25Å; R91-R302 PolarHBondContact O-NH1 2.78Å; R91-L316 VanDerWaalsContact CZ-O 3.27Å; R91-L316 PolarHBondContact NE-O 2.89Å; R91-L316 PolarHBondContact NH2-O 2.94Å; R91-M317 HydrophobicContact CG-CE 4.28Å
92	W	94.6	Very high	87.8	Confident	21 Å²	21	46.5 Å²	46.5	8%	0.08	23%	0.228	C	C	.	.	S	Bend	trans	-87.3	120.2	160.4	-179.6	80.1	0	0	0	108.6	F87 R90 C94 E113 T117 Y287	F87-W92 HydrophobicContact CB-CE3 4.32Å; F87-W92 HydrophobicContact CB-CZ3 4.42Å; F87-W92 AromaticContact CD1-CE3 3.45Å; F87-W92 HydrophobicContact CD1-CE3 3.45Å; F87-W92 VanDerWaalsContact CD1-CE3 3.45Å; F87-W92 AromaticContact CD1-CZ3 3.7Å; F87-W92 HydrophobicContact CD1-CZ3 3.7Å; F87-W92 HydrophobicContact CD2-CE3 4.5Å; F87-W92 AromaticContact CD2-CZ3 3.96Å; F87-W92 HydrophobicContact CD2-CZ3 3.96Å; F87-W92 AromaticContact CE1-CE3 3.8Å; F87-W92 HydrophobicContact CE1-CE3 3.8Å; F87-W92 AromaticContact CE1-CZ3 3.84Å; F87-W92 HydrophobicContact CE1-CZ3 3.84Å; F87-W92 HydrophobicContact CE2-CZ3 4.12Å; F87-W92 AromaticContact CG-CE3 3.84Å; F87-W92 HydrophobicContact CG-CE3 3.84Å; F87-W92 AromaticContact CG-CZ3 3.75Å; F87-W92 HydrophobicContact CG-CZ3 3.75Å; F87-W92 HydrophobicContact CZ-CE3 4.47Å; F87-W92 HydrophobicContact CZ-CZ3 4.05Å; R90-W92 VanDerWaalsContact C-N 3.35Å; R90-W92 CarbonylContact C-O 3.6Å; R90-W92 WeakPolarHBondContact CB-O 3.27Å; R90-W92 CarbonylContact O-C 3.54Å; R90-W92 PolarHBondContact O-N 2.95Å; W92-C94 HydrophobicContact CE3-CB 4.29Å; W92-C94 HydrophobicContact CH2-CB 3.56Å; W92-C94 WeakPolarHBondContact CH2-SG 3.26Å; W92-C94 HydrophobicContact CZ2-CB 3.91Å; W92-C94 HydrophobicContact CZ3-CB 3.76Å; W92-E113 HydrophobicContact CB-CG 4.32Å; W92-E113 HydrophobicContact CD2-CB 3.93Å; W92-E113 HydrophobicContact CD2-CG 3.66Å; W92-E113 HydrophobicContact CE3-CB 3.7Å; W92-E113 HydrophobicContact CE3-CG 3.36Å; W92-E113 HydrophobicContact CG-CG 4.11Å; W92-E113 HydrophobicContact CH2-CB 3.93Å; W92-E113 HydrophobicContact CZ2-CB 4.16Å; W92-E113 HydrophobicContact CZ3-CB 3.71Å; W92-E113 HydrophobicContact CZ3-CG 3.85Å; W92-T117 WeakPolarHBondContact CH2-OG1 3.47Å; W92-Y287 HydrophobicContact CB-CD1 3.85Å; W92-Y287 HydrophobicContact CB-CD2 3.86Å; W92-Y287 HydrophobicContact CB-CE1 3.9Å; W92-Y287 HydrophobicContact CB-CE2 3.9Å; W92-Y287 HydrophobicContact CB-CG 3.82Å; W92-Y287 AromaticContact CD1-CE1 3.64Å; W92-Y287 HydrophobicContact CG-CD1 4.3Å; W92-Y287 AromaticContact CG-CE1 3.96Å; W92-Y287 HydrophobicContact CG-CE1 3.96Å
93	N	93.6	Very high	86.3	Confident	54 Å²	54	46.3 Å²	46.3	29%	0.289	23%	0.227	S	C	.	.			trans	-107.4	16.1	-173.7	68.1	-13	0	0	0	113.7	F87 S95	F87-N93 WeakPolarHBondContact O-CA 3.36Å; N93-S95 PolarHBondContact O-N 3.23Å; N93-S95 VanDerWaalsContact OD1-CB 3.26Å; N93-S95 WeakPolarHBondContact OD1-CB 3.33Å; N93-S95 PolarHBondContact OD1-N 2.6Å; N93-S95 PolarHBondContact OD1-OG 3.34Å
94	C	93.6	Very high	85.3	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.			trans	56.2	30.9	-177.1	-157.3	0	0	0	0	114.1	C83 Q84 F87 W92 F103	C83-C94 HydrophobicContact CB-CB 3.93Å; C83-C94 WeakPolarHBondContact CB-SG 3.45Å; C83-C94 WeakPolarHBondContact SG-CB 3.34Å; C83-C94 CovalentContact SG-SG 2.02Å; C83-C94 PolarHBondContact SG-SG 3.48Å; Q84-C94 HydrophobicContact CG-CB 4.3Å; Q84-C94 WeakPolarHBondContact CG-O 3.4Å; Q84-C94 PolarHBondContact NE2-O 2.92Å; F87-C94 HydrophobicContact CB-CB 4.2Å; W92-C94 HydrophobicContact CE3-CB 4.29Å; W92-C94 HydrophobicContact CH2-CB 3.56Å; W92-C94 WeakPolarHBondContact CH2-SG 3.26Å; W92-C94 HydrophobicContact CZ2-CB 3.91Å; W92-C94 HydrophobicContact CZ3-CB 3.76Å; C94-F103 WeakPolarHBondContact SG-CE1 3.49Å
95	S	87.8	Confident	84.5	Confident	28 Å²	28	49.3 Å²	49.3	20%	0.196	24%	0.24	C	C	.	.			trans	-62.4	139.6	174.7	54.3	0	0	0	0	111.5	N93 L297	N93-S95 PolarHBondContact O-N 3.23Å; N93-S95 VanDerWaalsContact OD1-CB 3.26Å; N93-S95 WeakPolarHBondContact OD1-CB 3.33Å; N93-S95 PolarHBondContact OD1-N 2.6Å; N93-S95 PolarHBondContact OD1-OG 3.34Å; S95-L297 WeakPolarHBondContact OG-CD1 3.45Å
96	T	82.2	Confident	83.8	Confident	55 Å²	55	47 Å²	47	34%	0.337	23%	0.23	S	C	.	.			trans	-80.1	135.4	170.6	53.2	0	0	0	0	110.4	I80 V102 F103	I80-T96 HydrophobicContact CG2-CG2 3.71Å; T96-V102 CarbonylContact C-O 3.57Å; T96-V102 WeakPolarHBondContact CA-O 3.47Å; T96-V102 WeakPolarHBondContact CB-O 3.32Å; T96-V102 HydrophobicContact CG2-CG1 3.58Å; T96-F103 HydrophobicContact CG2-CE1 4.48Å
97	V	76.2	Confident	83.3	Confident	78 Å²	78	46.4 Å²	46.4	47%	0.473	23%	0.227	S	C	.	.			trans	-99.4	-38	-173.6	-166	0	0	0	0	111.8	V102	V97-V102 PolarHBondContact N-O 3.41Å
98	D	69.4	Low	82.8	Confident	64 Å²	64	50.1 Å²	50.1	34%	0.342	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-149.9	172.7	-180	67.7	52.5	0	0	0	111.5	L31 V100 S101 V102	L31-D98 WeakPolarHBondContact CD1-O 3.48Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.35Å; D98-V100 WeakPolarHBondContact OD1-CA 3.29Å; D98-V100 PolarHBondContact OD1-N 2.9Å; D98-S101 WeakPolarHBondContact OD1-CA 3.37Å; D98-S101 PolarHBondContact OD1-N 2.02Å; D98-S101 PolarHBondContact OD1-OG 3.4Å; D98-S101 PolarHBondContact OD2-OG 2.79Å; D98-V102 VanDerWaalsContact O-CA 3.23Å; D98-V102 WeakPolarHBondContact O-CA 3.46Å; D98-V102 PolarHBondContact O-N 3.19Å; D98-V102 PolarHBondContact OD1-N 3.3Å
99	N	68.1	Low	82.8	Confident	98 Å²	98	45.8 Å²	45.8	52%	0.524	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.9	-177.2	-70.7	-19	0	0	0	114.8	S28 N32	S28-N99 WeakPolarHBondContact CB-O 3.39Å; N32-N99 PolarHBondContact ND2-O 3.27Å; N32-N99 VanDerWaalsContact ND2-O 3.09Å
100	V	68.1	Low	82.9	Confident	55 Å²	55	41.3 Å²	41.3	33%	0.333	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-51.2	-163.5	178.7	0	0	0	0	111.8	N24 S25 D98	N24-V100 HydrophobicContact CB-CG1 4.03Å; N24-V100 WeakPolarHBondContact OD1-CG1 3.07Å; S25-V100 PolarHBondContact N-O 2.99Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.35Å; D98-V100 WeakPolarHBondContact OD1-CA 3.29Å; D98-V100 PolarHBondContact OD1-N 2.9Å
101	S	71.4	Confident	83.1	Confident	8 Å²	8	39 Å²	39	6%	0.056	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-21.2	169.5	82	0	0	0	0	113.1	A23 D98 F103 G104	A23-S101 WeakPolarHBondContact O-CA 3.13Å; A23-S101 WeakPolarHBondContact O-CB 3.2Å; D98-S101 WeakPolarHBondContact OD1-CA 3.37Å; D98-S101 PolarHBondContact OD1-N 2.02Å; D98-S101 PolarHBondContact OD1-OG 3.4Å; D98-S101 PolarHBondContact OD2-OG 2.79Å; S101-F103 PolarHBondContact O-N 3.42Å; S101-G104 WeakPolarHBondContact OG-CA 3.47Å; S101-G104 PolarHBondContact OG-N 2.67Å
102	V	77.5	Confident	83.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	66	-56.9	-176.9	-177.3	0	0	0	0	112.6	W27 L31 I80 T96 V97 D98	W27-V102 HydrophobicContact CB-CB 3.94Å; W27-V102 HydrophobicContact CB-CG1 4.36Å; W27-V102 HydrophobicContact CB-CG2 3.69Å; W27-V102 WeakPolarHBondContact O-CG2 3.43Å; L31-V102 HydrophobicContact CD1-CG1 4.36Å; L31-V102 HydrophobicContact CD1-CG2 4.04Å; I80-V102 HydrophobicContact CD1-CG1 3.68Å; I80-V102 HydrophobicContact CG1-CG1 4.25Å; T96-V102 CarbonylContact C-O 3.57Å; T96-V102 WeakPolarHBondContact CA-O 3.47Å; T96-V102 WeakPolarHBondContact CB-O 3.32Å; T96-V102 HydrophobicContact CG2-CG1 3.58Å; V97-V102 PolarHBondContact N-O 3.41Å; D98-V102 VanDerWaalsContact O-CA 3.23Å; D98-V102 WeakPolarHBondContact O-CA 3.46Å; D98-V102 PolarHBondContact O-N 3.19Å; D98-V102 PolarHBondContact OD1-N 3.3Å
103	F	66.3	Low	83.3	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.026	19%	0.193	C	C	.	.	S	Bend	trans	-108.4	0.2	-176.1	-62.3	-65.4	0	0	0	114	W27 I80 C94 T96 S101 M107 T117	W27-F103 HydrophobicContact CD2-CD2 4.05Å; W27-F103 HydrophobicContact CD2-CE2 4.09Å; W27-F103 AromaticContact CE3-CD2 3.66Å; W27-F103 HydrophobicContact CE3-CD2 3.66Å; W27-F103 HydrophobicContact CE3-CE2 4.18Å; W27-F103 HydrophobicContact CG-CE2 4.38Å; W27-F103 HydrophobicContact CZ3-CD2 4.04Å; I80-F103 HydrophobicContact CB-CZ 4.3Å; I80-F103 HydrophobicContact CG1-CE1 4.33Å; I80-F103 HydrophobicContact CG1-CE2 4.05Å; I80-F103 HydrophobicContact CG1-CZ 3.52Å; I80-F103 HydrophobicContact CG2-CE1 4.41Å; I80-F103 HydrophobicContact CG2-CZ 4.35Å; C94-F103 WeakPolarHBondContact SG-CE1 3.49Å; T96-F103 HydrophobicContact CG2-CE1 4.48Å; S101-F103 PolarHBondContact O-N 3.42Å; F103-M107 HydrophobicContact CB-CG 3.34Å; F103-M107 HydrophobicContact CB-SD 3.93Å; F103-M107 HydrophobicContact CD2-CG 4.33Å; F103-M107 HydrophobicContact CD2-SD 4.43Å; F103-M107 HydrophobicContact CG-CG 4.22Å; F103-M107 HydrophobicContact CG-SD 4.35Å; F103-T117 HydrophobicContact CD2-CG2 3.61Å; F103-T117 HydrophobicContact CE1-CG2 4.38Å; F103-T117 HydrophobicContact CE2-CG2 3.25Å; F103-T117 HydrophobicContact CG-CG2 4.28Å; F103-T117 HydrophobicContact CZ-CG2 3.65Å
104	G	77.7	Confident	83.4	Confident	13 Å²	13	34.3 Å²	34.3	13%	0.134	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	66.9	-151.9	174	0	0	0	0	0	114.6	S101 V106 M107	S101-G104 WeakPolarHBondContact OG-CA 3.47Å; S101-G104 PolarHBondContact OG-N 2.67Å; G104-V106 VanDerWaalsContact C-N 3.27Å; G104-V106 PolarHBondContact O-N 2.84Å; G104-M107 PolarHBondContact O-N 3.21Å
105	R	79.8	Confident	83.7	Confident	117 Å²	117	34.3 Å²	34.3	44%	0.442	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-70.3	-17.3	-176.2	-63.4	-171.9	-171	-164.9	1	114.3	M107 Q108 E292	R105-M107 PolarHBondContact O-N 3.35Å; R105-M107 VanDerWaalsContact O-N 3.16Å; R105-Q108 WeakPolarHBondContact O-CA 3.45Å; R105-Q108 WeakPolarHBondContact O-CB 3.37Å; R105-Q108 PolarHBondContact O-N 3Å; R105-E292 WeakPolarHBondContact CD-O 3.16Å
106	V	82	Confident	84.2	Confident	3 Å²	3	33 Å²	33	2%	0.018	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-55.3	-36.8	175	168.7	0	0	0	0	110.8	G104 Q108 I109 T114 Y287 T294 G295	G104-V106 VanDerWaalsContact C-N 3.27Å; G104-V106 PolarHBondContact O-N 2.84Å; V106-Q108 PolarHBondContact O-N 2.93Å; V106-I109 PolarHBondContact O-N 2.93Å; V106-I109 VanDerWaalsContact O-N 3.16Å; V106-T114 PolarHBondContact O-OG1 3.27Å; V106-Y287 HydrophobicContact CG2-CE1 4.43Å; V106-T294 WeakPolarHBondContact CA-O 3.49Å; V106-T294 VanDerWaalsContact CG2-O 3.29Å; V106-T294 WeakPolarHBondContact CG2-O 3.37Å; V106-T294 PolarHBondContact N-O 3.17Å; V106-G295 WeakPolarHBondContact CG2-O 3.48Å
107	M	87.1	Confident	84.9	Confident	12 Å²	12	30.4 Å²	30.4	6%	0.059	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-71.9	-9.5	178.8	-59.5	-50.5	-68.1	0	0	113.8	W27 F103 G104 R105 I109 T114 T117 Y118 R194	W27-M107 HydrophobicContact CH2-CE 3.26Å; W27-M107 HydrophobicContact CH2-CG 4.39Å; W27-M107 HydrophobicContact CZ2-CE 4.14Å; W27-M107 HydrophobicContact CZ3-CB 4.27Å; W27-M107 HydrophobicContact CZ3-CE 3.7Å; W27-M107 HydrophobicContact CZ3-CG 3.85Å; W27-M107 HydrophobicContact CZ3-SD 4.5Å; F103-M107 HydrophobicContact CB-CG 3.34Å; F103-M107 HydrophobicContact CB-SD 3.93Å; F103-M107 HydrophobicContact CD2-CG 4.33Å; F103-M107 HydrophobicContact CD2-SD 4.43Å; F103-M107 HydrophobicContact CG-CG 4.22Å; F103-M107 HydrophobicContact CG-SD 4.35Å; G104-M107 PolarHBondContact O-N 3.21Å; R105-M107 PolarHBondContact O-N 3.35Å; R105-M107 VanDerWaalsContact O-N 3.16Å; M107-I109 VanDerWaalsContact C-N 3.31Å; M107-T114 HydrophobicContact CE-CG2 3.71Å; M107-T114 HydrophobicContact SD-CG2 4.44Å; M107-T117 HydrophobicContact CE-CG2 3.54Å; M107-T117 HydrophobicContact SD-CG2 3.95Å; M107-Y118 HydrophobicContact CE-CD2 3.73Å; M107-Y118 HydrophobicContact CE-CE2 3.69Å; M107-R194 PolarHBondContact O-NH2 2.95Å
108	Q	87.6	Confident	85.9	Confident	77 Å²	77	27.5 Å²	27.5	36%	0.36	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-76.5	-20.5	173	-61.4	-177.6	-6.4	0	0	112.6	R105 V106 R194	R105-Q108 WeakPolarHBondContact O-CA 3.45Å; R105-Q108 WeakPolarHBondContact O-CB 3.37Å; R105-Q108 PolarHBondContact O-N 3Å; V106-Q108 PolarHBondContact O-N 2.93Å; Q108-R194 VanDerWaalsContact CA-NH2 3.29Å; Q108-R194 PolarHBondContact O-NH1 3.33Å
109	I	92.6	Very high	87.3	Confident	37 Å²	37	24.5 Å²	24.5	19%	0.19	12%	0.118	C	C	.	.	S	Bend	trans	-93.3	130.8	177.3	-55.1	168.4	0	0	0	107.7	V106 M107 S111 T114 D282 P285 T294	V106-I109 PolarHBondContact O-N 2.93Å; V106-I109 VanDerWaalsContact O-N 3.16Å; M107-I109 VanDerWaalsContact C-N 3.31Å; I109-S111 PolarHBondContact O-N 3.29Å; I109-T114 VanDerWaalsContact O-CB 3.28Å; I109-T114 WeakPolarHBondContact O-CB 3.38Å; I109-T114 PolarHBondContact O-OG1 3.04Å; I109-D282 HydrophobicContact CG2-CB 3.74Å; I109-P285 HydrophobicContact CD1-CB 4.22Å; I109-P285 HydrophobicContact CD1-CG 3.88Å; I109-T294 HydrophobicContact CD1-CG2 4.21Å
110	G	95.9	Very high	88.8	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.			trans	-73.8	46.4	174.8	0	0	0	0	0	113.2	Y280 V281 D282	G110-Y280 WeakPolarHBondContact O-CB 3.44Å; G110-V281 PolarHBondContact O-N 2.71Å; G110-D282 VanDerWaalsContact CA-OD2 3.29Å; G110-D282 WeakPolarHBondContact CA-OD2 3.37Å; G110-D282 PolarHBondContact N-OD2 2.88Å; G110-D282 PolarHBondContact O-N 3.04Å
111	S	97.4	Very high	90.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.078	C	C	.	.			trans	-80.5	173	-175.4	73.9	0	0	0	0	112.9	I109 E113 T114 A115 D282	I109-S111 PolarHBondContact O-N 3.29Å; S111-E113 VanDerWaalsContact C-N 3.28Å; S111-E113 PolarHBondContact O-N 2.69Å; S111-E113 PolarHBondContact OG-N 2.84Å; S111-E113 PolarHBondContact OG-OE2 3.17Å; S111-T114 WeakPolarHBondContact O-CB 3.33Å; S111-T114 PolarHBondContact O-N 3.4Å; S111-T114 PolarHBondContact OG-N 2.87Å; S111-T114 PolarHBondContact OG-OG1 3.2Å; S111-A115 PolarHBondContact O-N 3.16Å; S111-D282 WeakPolarHBondContact CA-O 3.45Å
112	R	97.7	Very high	91.5	Very high	62 Å²	62	16.9 Å²	16.9	23%	0.234	8%	0.075	C	C	.	.	H	α-helix	trans	-62.2	-35.9	174.4	-160.3	-170.7	-79	-149	0.7	112.5	A115 F116 Y249 D250 A252 Y280	R112-A115 WeakPolarHBondContact O-CB 3.22Å; R112-A115 PolarHBondContact O-N 2.77Å; R112-F116 PolarHBondContact O-N 2.97Å; R112-F116 VanDerWaalsContact O-N 3.14Å; R112-Y249 HydrophobicContact CB-CD2 4.29Å; R112-Y249 HydrophobicContact CB-CE2 3.76Å; R112-Y249 VanDerWaalsContact CD-CE2 3.48Å; R112-Y249 VanDerWaalsContact CD-O 3.22Å; R112-Y249 WeakPolarHBondContact CD-O 3.37Å; R112-Y249 HydrophobicContact CG-CD2 3.49Å; R112-Y249 VanDerWaalsContact CG-CD2 3.49Å; R112-Y249 HydrophobicContact CG-CE2 3.36Å; R112-Y249 HydrophobicContact CG-CG 4.19Å; R112-Y249 PolarHBondContact NH1-O 2.76Å; R112-Y249 WeakPolarHBondContact O-CD2 3.36Å; R112-Y249 WeakPolarHBondContact O-CE2 3.47Å; R112-D250 PolarHBondContact NH1-O 2.78Å; R112-A252 HydrophobicContact CG-CB 3.85Å; R112-Y280 HydrophobicContact CB-CD1 4.43Å; R112-Y280 HydrophobicContact CG-CD1 4.44Å
113	E	97	Very high	92.5	Very high	8 Å²	8	16.9 Å²	16.9	4%	0.037	8%	0.075	C	C	.	.	H	α-helix	trans	-66.3	-41.4	176.9	-66.1	70.7	-132.8	0	0	110.9	W92 S111 A115 F116 T117 Y249 S284 Y287	W92-E113 HydrophobicContact CB-CG 4.32Å; W92-E113 HydrophobicContact CD2-CB 3.93Å; W92-E113 HydrophobicContact CD2-CG 3.66Å; W92-E113 HydrophobicContact CE3-CB 3.7Å; W92-E113 HydrophobicContact CE3-CG 3.36Å; W92-E113 HydrophobicContact CG-CG 4.11Å; W92-E113 HydrophobicContact CH2-CB 3.93Å; W92-E113 HydrophobicContact CZ2-CB 4.16Å; W92-E113 HydrophobicContact CZ3-CB 3.71Å; W92-E113 HydrophobicContact CZ3-CG 3.85Å; S111-E113 VanDerWaalsContact C-N 3.28Å; S111-E113 PolarHBondContact O-N 2.69Å; S111-E113 PolarHBondContact OG-N 2.84Å; S111-E113 PolarHBondContact OG-OE2 3.17Å; E113-A115 VanDerWaalsContact C-N 3.35Å; E113-F116 PolarHBondContact O-N 2.96Å; E113-T117 WeakPolarHBondContact O-CB 3.14Å; E113-T117 PolarHBondContact O-N 3.09Å; E113-T117 PolarHBondContact O-OG1 2.94Å; E113-Y249 HydrophobicContact CG-CE2 4.31Å; E113-Y249 PolarHBondContact OE1-OH 2.84Å; E113-S284 PolarHBondContact OE1-OG 3.05Å; E113-S284 WeakPolarHBondContact OE2-CB 3.49Å; E113-S284 PolarHBondContact OE2-OG 3.47Å; E113-Y287 HydrophobicContact CG-CE2 4.13Å; E113-Y287 WeakPolarHBondContact OE2-CE2 3.45Å; E113-Y287 PolarHBondContact OE2-OH 3.48Å
114	T	96.7	Very high	94	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.8	-45.5	173.6	-63.5	0	0	0	0	110.7	V106 M107 I109 S111 F116 T117 Y118 M197	V106-T114 PolarHBondContact O-OG1 3.27Å; M107-T114 HydrophobicContact CE-CG2 3.71Å; M107-T114 HydrophobicContact SD-CG2 4.44Å; I109-T114 VanDerWaalsContact O-CB 3.28Å; I109-T114 WeakPolarHBondContact O-CB 3.38Å; I109-T114 PolarHBondContact O-OG1 3.04Å; S111-T114 WeakPolarHBondContact O-CB 3.33Å; S111-T114 PolarHBondContact O-N 3.4Å; S111-T114 PolarHBondContact OG-N 2.87Å; S111-T114 PolarHBondContact OG-OG1 3.2Å; T114-F116 PolarHBondContact O-N 3.37Å; T114-T117 PolarHBondContact O-N 3.48Å; T114-T117 VanDerWaalsContact O-N 3.15Å; T114-Y118 HydrophobicContact CG2-CD2 3.82Å; T114-Y118 HydrophobicContact CG2-CE2 3.78Å; T114-Y118 WeakPolarHBondContact O-CD2 3.01Å; T114-Y118 PolarHBondContact O-N 3.08Å; T114-M197 HydrophobicContact CG2-CE 3.89Å
115	A	98.3	Very high	95	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56	-48.2	177.7	0	0	0	0	0	112.8	S111 R112 E113 T117 A119 N201 L278 V279	S111-A115 PolarHBondContact O-N 3.16Å; R112-A115 WeakPolarHBondContact O-CB 3.22Å; R112-A115 PolarHBondContact O-N 2.77Å; E113-A115 VanDerWaalsContact C-N 3.35Å; A115-T117 PolarHBondContact O-N 3.2Å; A115-A119 PolarHBondContact O-N 3.45Å; A115-A119 VanDerWaalsContact O-N 3.16Å; A115-N201 VanDerWaalsContact CA-ND2 3.31Å; A115-N201 WeakPolarHBondContact CA-ND2 3.42Å; A115-N201 WeakPolarHBondContact CB-ND2 2.99Å; A115-L278 HydrophobicContact CB-CB 4.39Å; A115-V279 VanDerWaalsContact CB-O 3.27Å; A115-V279 WeakPolarHBondContact CB-O 3.07Å
116	F	98.6	Very high	95.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.5	-41	176.3	179.3	-85.4	0	0	0	112.2	C83 Q86 F87 R112 E113 T114 Y118 A119 V120 L245 K246 Y249 L278	C83-F116 HydrophobicContact CB-CE1 3.96Å; Q86-F116 HydrophobicContact CB-CZ 4.15Å; Q86-F116 HydrophobicContact CG-CZ 4.09Å; F87-F116 HydrophobicContact CD2-CD1 4.3Å; F87-F116 HydrophobicContact CD2-CE1 4.16Å; F87-F116 AromaticContact CE2-CD1 3.48Å; F87-F116 HydrophobicContact CE2-CD1 3.48Å; F87-F116 VanDerWaalsContact CE2-CD1 3.48Å; F87-F116 HydrophobicContact CE2-CD2 4.18Å; F87-F116 AromaticContact CE2-CE1 3.62Å; F87-F116 HydrophobicContact CE2-CE1 3.62Å; F87-F116 HydrophobicContact CE2-CE2 4.27Å; F87-F116 AromaticContact CE2-CG 3.79Å; F87-F116 HydrophobicContact CE2-CG 3.79Å; F87-F116 HydrophobicContact CE2-CZ 4.01Å; F87-F116 HydrophobicContact CZ-CB 4.45Å; F87-F116 HydrophobicContact CZ-CD1 4.22Å; F87-F116 HydrophobicContact CZ-CG 4.16Å; R112-F116 PolarHBondContact O-N 2.97Å; R112-F116 VanDerWaalsContact O-N 3.14Å; E113-F116 PolarHBondContact O-N 2.96Å; T114-F116 PolarHBondContact O-N 3.37Å; F116-Y118 PolarHBondContact O-N 3.17Å; F116-A119 PolarHBondContact O-N 3.08Å; F116-V120 HydrophobicContact CD1-CB 4.38Å; F116-V120 HydrophobicContact CD1-CG1 4.08Å; F116-V120 HydrophobicContact CE1-CB 3.89Å; F116-V120 HydrophobicContact CE1-CG1 3.79Å; F116-V120 HydrophobicContact CE1-CG2 4.26Å; F116-V120 HydrophobicContact CZ-CB 4.18Å; F116-V120 HydrophobicContact CZ-CG2 4.3Å; F116-V120 WeakPolarHBondContact O-CG1 3.43Å; F116-V120 PolarHBondContact O-N 3.3Å; F116-L245 HydrophobicContact CD2-CB 4.15Å; F116-L245 HydrophobicContact CE2-CB 3.67Å; F116-L245 HydrophobicContact CZ-CB 4.48Å; F116-K246 HydrophobicContact CE2-CB 4.16Å; F116-Y249 HydrophobicContact CB-CD2 3.79Å; F116-Y249 HydrophobicContact CB-CG 4.45Å; F116-Y249 HydrophobicContact CG-CD2 4.46Å; F116-L278 HydrophobicContact CB-CD1 4.25Å; F116-L278 HydrophobicContact CD2-CD1 4.41Å
117	T	97.4	Very high	96.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.9	-42.9	-178.8	-56.6	0	0	0	0	112.1	W27 W92 F103 M107 E113 T114 A115 S121	W27-T117 HydrophobicContact CH2-CG2 4.43Å; W27-T117 HydrophobicContact CZ2-CG2 4.3Å; W92-T117 WeakPolarHBondContact CH2-OG1 3.47Å; F103-T117 HydrophobicContact CD2-CG2 3.61Å; F103-T117 HydrophobicContact CE1-CG2 4.38Å; F103-T117 HydrophobicContact CE2-CG2 3.25Å; F103-T117 HydrophobicContact CG-CG2 4.28Å; F103-T117 HydrophobicContact CZ-CG2 3.65Å; M107-T117 HydrophobicContact CE-CG2 3.54Å; M107-T117 HydrophobicContact SD-CG2 3.95Å; E113-T117 WeakPolarHBondContact O-CB 3.14Å; E113-T117 PolarHBondContact O-N 3.09Å; E113-T117 PolarHBondContact O-OG1 2.94Å; T114-T117 PolarHBondContact O-N 3.48Å; T114-T117 VanDerWaalsContact O-N 3.15Å; A115-T117 PolarHBondContact O-N 3.2Å; T117-S121 WeakPolarHBondContact O-CB 3.37Å; T117-S121 PolarHBondContact O-N 3.18Å; T117-S121 VanDerWaalsContact O-N 3.1Å; T117-S121 PolarHBondContact O-OG 2.93Å
118	Y	98	Very high	97.3	Very high	18 Å²	18	10.8 Å²	10.8	7%	0.071	5%	0.051	C	C	.	.	H	α-helix	trans	-61.6	-46.7	173.2	-88.8	-96.4	0	0	0	111.1	W27 M107 T114 F116 S121 A122 E180 N198 N202	W27-Y118 HydrophobicContact CH2-CD2 4.02Å; W27-Y118 HydrophobicContact CH2-CE1 4.43Å; W27-Y118 AromaticContact CH2-CE2 3.68Å; W27-Y118 HydrophobicContact CH2-CE2 3.68Å; W27-Y118 AromaticContact CH2-CZ 3.91Å; W27-Y118 HydrophobicContact CZ2-CD1 4.43Å; W27-Y118 HydrophobicContact CZ2-CD2 4.23Å; W27-Y118 HydrophobicContact CZ2-CE1 4.44Å; W27-Y118 HydrophobicContact CZ2-CE2 4.25Å; W27-Y118 HydrophobicContact CZ2-CG 4.33Å; M107-Y118 HydrophobicContact CE-CD2 3.73Å; M107-Y118 HydrophobicContact CE-CE2 3.69Å; T114-Y118 HydrophobicContact CG2-CD2 3.82Å; T114-Y118 HydrophobicContact CG2-CE2 3.78Å; T114-Y118 WeakPolarHBondContact O-CD2 3.01Å; T114-Y118 PolarHBondContact O-N 3.08Å; F116-Y118 PolarHBondContact O-N 3.17Å; Y118-S121 PolarHBondContact O-N 2.84Å; Y118-A122 WeakPolarHBondContact O-CB 3.47Å; Y118-A122 PolarHBondContact O-N 2.98Å; Y118-E180 PolarHBondContact OH-OE1 3.03Å; Y118-N198 HydrophobicContact CD1-CB 3.89Å; Y118-N198 HydrophobicContact CE1-CB 3.64Å; Y118-N198 WeakPolarHBondContact CE2-OD1 3.42Å; Y118-N198 HydrophobicContact CG-CB 4.48Å; Y118-N198 VanDerWaalsContact CZ-ND2 3.32Å; Y118-N198 PolarHBondContact OH-ND2 2.94Å; Y118-N202 VanDerWaalsContact CD1-OD1 3.3Å; Y118-N202 WeakPolarHBondContact CD1-OD1 3.25Å; Y118-N202 PolarHBondContact O-OD1 3.27Å
119	A	98.8	Very high	97.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.3	-51.6	180	0	0	0	0	0	113.3	A115 F116 S121 A122 A123 N201 G205 L245 L278	A115-A119 PolarHBondContact O-N 3.45Å; A115-A119 VanDerWaalsContact O-N 3.16Å; F116-A119 PolarHBondContact O-N 3.08Å; A119-S121 VanDerWaalsContact C-N 3.28Å; A119-S121 PolarHBondContact O-N 2.9Å; A119-A122 PolarHBondContact O-N 2.85Å; A119-A123 WeakPolarHBondContact O-CB 3.23Å; A119-A123 PolarHBondContact O-N 2.81Å; A119-N201 VanDerWaalsContact CA-O 3.25Å; A119-N201 WeakPolarHBondContact CA-O 3.46Å; A119-N201 VanDerWaalsContact CB-O 3.25Å; A119-N201 WeakPolarHBondContact CB-O 3.22Å; A119-G205 VanDerWaalsContact O-CA 3.22Å; A119-G205 WeakPolarHBondContact O-CA 3.47Å; A119-L245 HydrophobicContact CB-CD1 4.33Å; A119-L245 HydrophobicContact CB-CD2 4.12Å; A119-L278 HydrophobicContact CB-CD2 3.53Å
120	V	98.7	Very high	98.1	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.006	2%	0.024	C	C	.	.	H	α-helix	trans	-67.5	-30.7	-178	75.2	0	0	0	0	112	E82 C83 F116 G124 F238 L245	E82-V120 HydrophobicContact CB-CG2 4.27Å; E82-V120 HydrophobicContact CG-CG2 4.36Å; C83-V120 HydrophobicContact CB-CG1 4.1Å; F116-V120 HydrophobicContact CD1-CB 4.38Å; F116-V120 HydrophobicContact CD1-CG1 4.08Å; F116-V120 HydrophobicContact CE1-CB 3.89Å; F116-V120 HydrophobicContact CE1-CG1 3.79Å; F116-V120 HydrophobicContact CE1-CG2 4.26Å; F116-V120 HydrophobicContact CZ-CB 4.18Å; F116-V120 HydrophobicContact CZ-CG2 4.3Å; F116-V120 WeakPolarHBondContact O-CG1 3.43Å; F116-V120 PolarHBondContact O-N 3.3Å; V120-G124 PolarHBondContact O-N 2.95Å; V120-F238 HydrophobicContact CG2-CE1 4.21Å; V120-F238 HydrophobicContact CG2-CZ 4.23Å; V120-L245 HydrophobicContact CB-CD1 4.09Å; V120-L245 HydrophobicContact CG2-CD1 4.35Å
121	S	97.7	Very high	98.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-70.2	-45.1	175.1	-60.3	0	0	0	0	111.9	W27 T117 Y118 A119 A123 G124 V125	W27-S121 PolarHBondContact NE1-OG 3.32Å; T117-S121 WeakPolarHBondContact O-CB 3.37Å; T117-S121 PolarHBondContact O-N 3.18Å; T117-S121 VanDerWaalsContact O-N 3.1Å; T117-S121 PolarHBondContact O-OG 2.93Å; Y118-S121 PolarHBondContact O-N 2.84Å; A119-S121 VanDerWaalsContact C-N 3.28Å; A119-S121 PolarHBondContact O-N 2.9Å; S121-A123 VanDerWaalsContact C-N 3.33Å; S121-G124 PolarHBondContact O-N 3.47Å; S121-V125 PolarHBondContact O-N 2.87Å; S121-V125 VanDerWaalsContact O-N 3.12Å
122	A	98.6	Very high	98.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.7	-42	175	0	0	0	0	0	111.2	Y118 A119 G124 V125 V126 V176 N202 R206	Y118-A122 WeakPolarHBondContact O-CB 3.47Å; Y118-A122 PolarHBondContact O-N 2.98Å; A119-A122 PolarHBondContact O-N 2.85Å; A122-G124 VanDerWaalsContact C-N 3.33Å; A122-G124 PolarHBondContact O-N 2.79Å; A122-V125 PolarHBondContact O-N 3.45Å; A122-V126 WeakPolarHBondContact O-CG2 3.43Å; A122-V126 PolarHBondContact O-N 2.88Å; A122-V126 VanDerWaalsContact O-N 3.11Å; A122-V176 HydrophobicContact CB-CG1 4.31Å; A122-N202 HydrophobicContact CB-CB 4.13Å; A122-N202 WeakPolarHBondContact CB-O 3.5Å; A122-R206 HydrophobicContact CB-CG 4.18Å
123	A	98.8	Very high	98.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-58.2	-44	172.7	0	0	0	0	0	112	A119 S121 V125 V126 N127 G205 V209 F238 V241 L245	A119-A123 WeakPolarHBondContact O-CB 3.23Å; A119-A123 PolarHBondContact O-N 2.81Å; S121-A123 VanDerWaalsContact C-N 3.33Å; A123-V125 PolarHBondContact O-N 3.01Å; A123-V126 PolarHBondContact O-N 3.2Å; A123-N127 WeakPolarHBondContact O-CB 3.46Å; A123-N127 PolarHBondContact O-N 3.36Å; A123-G205 WeakPolarHBondContact CB-O 3.42Å; A123-V209 HydrophobicContact CB-CG2 3.55Å; A123-V209 WeakPolarHBondContact O-CG2 3.39Å; A123-F238 HydrophobicContact CB-CE2 4.18Å; A123-F238 HydrophobicContact CB-CZ 4.31Å; A123-V241 HydrophobicContact CB-CG1 4.12Å; A123-L245 HydrophobicContact CB-CD1 4.1Å
124	G	98.6	Very high	98.2	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.1	-44.4	177.4	0	0	0	0	0	112.8	G75 V120 S121 A122 N127 A128	G75-G124 VanDerWaalsContact CA-C 3.47Å; G75-G124 VanDerWaalsContact CA-O 3.23Å; G75-G124 WeakPolarHBondContact CA-O 3.37Å; G75-G124 WeakPolarHBondContact O-CA 3.35Å; V120-G124 PolarHBondContact O-N 2.95Å; S121-G124 PolarHBondContact O-N 3.47Å; A122-G124 VanDerWaalsContact C-N 3.33Å; A122-G124 PolarHBondContact O-N 2.79Å; G124-N127 PolarHBondContact O-N 3.39Å; G124-A128 PolarHBondContact O-N 3.48Å
125	V	98.5	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.2	-43.3	176.8	178.1	0	0	0	0	111.6	W26 I72 S121 A122 A123 N127 A128 I129 A172 V176	W26-V125 HydrophobicContact CH2-CG2 3.45Å; W26-V125 VanDerWaalsContact CH2-CG2 3.45Å; W26-V125 HydrophobicContact CZ3-CG2 3.58Å; I72-V125 HydrophobicContact CG1-CG1 4.36Å; I72-V125 HydrophobicContact CG2-CG2 4.4Å; S121-V125 PolarHBondContact O-N 2.87Å; S121-V125 VanDerWaalsContact O-N 3.12Å; A122-V125 PolarHBondContact O-N 3.45Å; A123-V125 PolarHBondContact O-N 3.01Å; V125-N127 VanDerWaalsContact C-N 3.32Å; V125-N127 PolarHBondContact O-N 2.84Å; V125-A128 PolarHBondContact O-N 3.49Å; V125-I129 HydrophobicContact CG1-CG1 4.08Å; V125-I129 WeakPolarHBondContact O-CB 3.28Å; V125-I129 VanDerWaalsContact O-CG1 3.3Å; V125-I129 WeakPolarHBondContact O-CG1 3.29Å; V125-I129 PolarHBondContact O-N 3.16Å; V125-A172 HydrophobicContact CB-CB 4.19Å; V125-A172 HydrophobicContact CG1-CB 3.83Å; V125-V176 HydrophobicContact CB-CG2 4.33Å; V125-V176 HydrophobicContact CG1-CG2 4.45Å; V125-V176 HydrophobicContact CG2-CG2 4.13Å
126	V	98.8	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.9	-46.2	175.2	177.4	0	0	0	0	110.5	A122 A123 S130 V165 A172 R206 V209	A122-V126 WeakPolarHBondContact O-CG2 3.43Å; A122-V126 PolarHBondContact O-N 2.88Å; A122-V126 VanDerWaalsContact O-N 3.11Å; A123-V126 PolarHBondContact O-N 3.2Å; V126-S130 WeakPolarHBondContact O-CB 3.04Å; V126-S130 PolarHBondContact O-N 3.38Å; V126-S130 PolarHBondContact O-OG 2.87Å; V126-V165 HydrophobicContact CG1-CG1 4.27Å; V126-A172 HydrophobicContact CG2-CB 3.48Å; V126-A172 VanDerWaalsContact CG2-CB 3.48Å; V126-R206 HydrophobicContact CG2-CB 4.05Å; V126-R206 HydrophobicContact CG2-CG 3.66Å; V126-V209 HydrophobicContact CB-CB 4.32Å; V126-V209 HydrophobicContact CB-CG1 4.23Å; V126-V209 HydrophobicContact CB-CG2 4.43Å; V126-V209 HydrophobicContact CG1-CB 3.97Å; V126-V209 HydrophobicContact CG1-CG1 3.63Å
127	N	98.6	Very high	98	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.064	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-50.7	-178.6	-171.4	-91.4	0	0	0	111.9	A123 G124 V125 R131 L235 F238	A123-N127 WeakPolarHBondContact O-CB 3.46Å; A123-N127 PolarHBondContact O-N 3.36Å; G124-N127 PolarHBondContact O-N 3.39Å; V125-N127 VanDerWaalsContact C-N 3.32Å; V125-N127 PolarHBondContact O-N 2.84Å; N127-R131 WeakPolarHBondContact O-CB 3.23Å; N127-R131 PolarHBondContact O-N 3.22Å; N127-L235 WeakPolarHBondContact O-CD1 3.49Å; N127-F238 HydrophobicContact CB-CD2 3.85Å; N127-F238 HydrophobicContact CB-CE2 3.95Å
128	A	98.4	Very high	97.9	Very high	12 Å²	12	21.3 Å²	21.3	10%	0.099	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-49	-177.7	0	0	0	0	0	112.5	Y71 G124 V125 S130 R131 A132	Y71-A128 VanDerWaalsContact O-CB 3.28Å; Y71-A128 WeakPolarHBondContact O-CB 3.38Å; G124-A128 PolarHBondContact O-N 3.48Å; V125-A128 PolarHBondContact O-N 3.49Å; A128-S130 PolarHBondContact O-N 3.15Å; A128-R131 PolarHBondContact O-N 3.14Å; A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.4Å
129	I	98.4	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-42.3	-178.6	-64.8	-69.2	0	0	0	111.4	H68 I72 V125 R131 A132 C133 L138 Y167 F171	H68-I129 HydrophobicContact CB-CD1 4.02Å; I72-I129 HydrophobicContact CG1-CD1 4.37Å; V125-I129 HydrophobicContact CG1-CG1 4.08Å; V125-I129 WeakPolarHBondContact O-CB 3.28Å; V125-I129 VanDerWaalsContact O-CG1 3.3Å; V125-I129 WeakPolarHBondContact O-CG1 3.29Å; V125-I129 PolarHBondContact O-N 3.16Å; I129-R131 VanDerWaalsContact C-N 3.27Å; I129-R131 PolarHBondContact O-N 3.42Å; I129-A132 PolarHBondContact O-N 2.9Å; I129-C133 PolarHBondContact O-N 2.92Å; I129-C133 PolarHBondContact O-SG 3.36Å; I129-L138 HydrophobicContact CD1-CD1 4.27Å; I129-L138 HydrophobicContact CG2-CD1 4.18Å; I129-Y167 HydrophobicContact CG2-CD1 3.8Å; I129-Y167 HydrophobicContact CG2-CE1 3.75Å; I129-F171 HydrophobicContact CD1-CD1 4.24Å; I129-F171 HydrophobicContact CD1-CE1 4.18Å; I129-F171 HydrophobicContact CG1-CD1 4.03Å; I129-F171 HydrophobicContact CG1-CE1 4.36Å; I129-F171 HydrophobicContact CG2-CB 4.48Å; I129-F171 HydrophobicContact CG2-CD1 4.41Å
130	S	98.4	Very high	97.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-36.3	-180	-57.5	0	0	0	0	112.3	V126 A128 R134 N164 V165 G168	V126-S130 WeakPolarHBondContact O-CB 3.04Å; V126-S130 PolarHBondContact O-N 3.38Å; V126-S130 PolarHBondContact O-OG 2.87Å; A128-S130 PolarHBondContact O-N 3.15Å; S130-R134 PolarHBondContact O-N 2.85Å; S130-N164 PolarHBondContact O-N 2.79Å; S130-N164 PolarHBondContact OG-O 3.3Å; S130-V165 WeakPolarHBondContact OG-CA 3.31Å; S130-G168 WeakPolarHBondContact OG-CA 3.37Å
131	R	97.9	Very high	97.4	Very high	90 Å²	90	29.4 Å²	29.4	34%	0.34	17%	0.166	S	C	.	.	H	α-helix	trans	-73.7	-42.4	176.6	-177.2	168.7	-65	179.9	2.1	112.2	N127 A128 I129 C133 R134 E135 L235	N127-R131 WeakPolarHBondContact O-CB 3.23Å; N127-R131 PolarHBondContact O-N 3.22Å; A128-R131 PolarHBondContact O-N 3.14Å; I129-R131 VanDerWaalsContact C-N 3.27Å; I129-R131 PolarHBondContact O-N 3.42Å; R131-C133 VanDerWaalsContact C-N 3.26Å; R131-C133 PolarHBondContact O-N 3.02Å; R131-R134 WeakPolarHBondContact O-CB 3Å; R131-R134 PolarHBondContact O-N 3.48Å; R131-E135 WeakPolarHBondContact CD-OE1 3.4Å; R131-E135 WeakPolarHBondContact CG-OE1 2.83Å; R131-E135 PolarHBondContact O-N 3.1Å; R131-L235 HydrophobicContact CB-CD1 4.33Å
132	A	98.1	Very high	97.3	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-38.7	174.9	0	0	0	0	0	112	Y71 A128 I129 R134 E135 G136 E137 L138	Y71-A132 HydrophobicContact CD1-CB 3.61Å; Y71-A132 HydrophobicContact CD2-CB 3.85Å; Y71-A132 HydrophobicContact CE1-CB 3.62Å; Y71-A132 HydrophobicContact CE2-CB 3.84Å; Y71-A132 HydrophobicContact CG-CB 3.71Å; A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.4Å; I129-A132 PolarHBondContact O-N 2.9Å; A132-R134 VanDerWaalsContact C-N 3.35Å; A132-R134 PolarHBondContact O-N 2.68Å; A132-E135 PolarHBondContact O-N 3.02Å; A132-G136 PolarHBondContact O-N 3.21Å; A132-G136 VanDerWaalsContact O-N 3.17Å; A132-E137 HydrophobicContact CB-CB 4.34Å; A132-E137 PolarHBondContact O-N 3.35Å; A132-L138 HydrophobicContact CB-CD1 3.77Å; A132-L138 HydrophobicContact CB-CG 3.92Å
133	C	98.1	Very high	97.2	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-39.9	172.5	-67.5	0	0	0	0	113.2	I129 R131 E135 G136 C141 G142 N164 Y167	I129-C133 PolarHBondContact O-N 2.92Å; I129-C133 PolarHBondContact O-SG 3.36Å; R131-C133 VanDerWaalsContact C-N 3.26Å; R131-C133 PolarHBondContact O-N 3.02Å; C133-E135 VanDerWaalsContact C-N 3.33Å; C133-G136 PolarHBondContact O-N 3.35Å; C133-C141 WeakPolarHBondContact CA-SG 3.45Å; C133-C141 HydrophobicContact CB-CB 3.85Å; C133-C141 WeakPolarHBondContact CB-SG 3.24Å; C133-C141 WeakPolarHBondContact SG-CB 3.28Å; C133-C141 CovalentContact SG-SG 2.03Å; C133-C141 PolarHBondContact SG-SG 3.07Å; C133-G142 CarbonylContact O-C 3.31Å; C133-G142 VanDerWaalsContact O-C 3.31Å; C133-G142 WeakPolarHBondContact O-CA 3.35Å; C133-N164 HydrophobicContact CB-CB 3.83Å; C133-Y167 WeakPolarHBondContact SG-CD1 3.43Å
134	R	97.1	Very high	97	Very high	76 Å²	76	34.5 Å²	34.5	29%	0.287	21%	0.206	S	C	.	.	H	α-helix	trans	-67.8	-36.4	177.4	-176.7	-167.1	63.9	132.5	5.6	111.7	S130 R131 A132 G136 C161 D163	S130-R134 PolarHBondContact O-N 2.85Å; R131-R134 WeakPolarHBondContact O-CB 3Å; R131-R134 PolarHBondContact O-N 3.48Å; A132-R134 VanDerWaalsContact C-N 3.35Å; A132-R134 PolarHBondContact O-N 2.68Å; R134-G136 PolarHBondContact O-N 3.06Å; R134-C161 WeakPolarHBondContact CD-O 3.28Å; R134-C161 HydrophobicContact CG-CB 4.39Å; R134-C161 WeakPolarHBondContact CG-O 3.44Å; R134-C161 PolarHBondContact O-SG 2.94Å; R134-D163 VanDerWaalsContact CD-OD1 3.23Å; R134-D163 WeakPolarHBondContact CD-OD1 3.42Å; R134-D163 IonicContact NE-OD1 2.76Å; R134-D163 PolarHBondContact NE-OD1 3.11Å
135	E	96.7	Very high	96.7	Very high	97 Å²	97	45.8 Å²	45.8	45%	0.453	25%	0.249	S	C	.	.	H	α-helix	trans	-79.2	-7.7	-178.7	-73.4	162.2	-167.5	0	0	112.8	R131 A132 C133 E137	R131-E135 WeakPolarHBondContact CD-OE1 3.4Å; R131-E135 WeakPolarHBondContact CG-OE1 2.83Å; R131-E135 PolarHBondContact O-N 3.1Å; A132-E135 PolarHBondContact O-N 3.02Å; C133-E135 VanDerWaalsContact C-N 3.33Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 HydrophobicContact CB-CG 3.95Å
136	G	96	Very high	96.4	Very high	59 Å²	59	48.5 Å²	48.5	61%	0.608	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	19	179	0	0	0	0	0	113.3	A132 C133 R134 L138	A132-G136 PolarHBondContact O-N 3.21Å; A132-G136 VanDerWaalsContact O-N 3.17Å; C133-G136 PolarHBondContact O-N 3.35Å; R134-G136 PolarHBondContact O-N 3.06Å; G136-L138 VanDerWaalsContact C-N 3.34Å
137	E	95.8	Very high	96.2	Very high	78 Å²	78	52.2 Å²	52.2	36%	0.364	30%	0.296	S	S	.	.			trans	-84.8	-10	-174.9	-69.5	-76.7	155.7	0	0	113.8	R36 Y71 A132 E135	R36-E137 IonicContact CZ-OE2 3.55Å; R36-E137 VanDerWaalsContact CZ-OE2 3.26Å; R36-E137 IonicContact NH1-OE2 3.59Å; R36-E137 PolarHBondContact NH1-OE2 3.45Å; R36-E137 IonicContact NH2-OE2 3.66Å; R36-E137 PolarHBondContact NH2-OE2 2.8Å; Y71-E137 HydrophobicContact CE2-CB 3.91Å; Y71-E137 WeakPolarHBondContact OH-CB 2.99Å; Y71-E137 VanDerWaalsContact OH-CD 3.31Å; Y71-E137 WeakPolarHBondContact OH-CG 3.17Å; Y71-E137 PolarHBondContact OH-OE2 3.36Å; A132-E137 HydrophobicContact CB-CB 4.34Å; A132-E137 PolarHBondContact O-N 3.35Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 HydrophobicContact CB-CG 3.95Å
138	L	95.4	Very high	96	Very high	3 Å²	3	56 Å²	56	2%	0.016	31%	0.309	C	S	.	.			trans	-122	121.3	-179	-65.3	179.2	0	0	0	109.1	E67 Y71 I129 A132 G136 T140 C141	E67-L138 HydrophobicContact CB-CD2 3.8Å; Y71-L138 HydrophobicContact CD2-CD2 3.74Å; Y71-L138 HydrophobicContact CD2-CG 4.29Å; Y71-L138 HydrophobicContact CE2-CD2 3.93Å; Y71-L138 HydrophobicContact CE2-CG 4.35Å; I129-L138 HydrophobicContact CD1-CD1 4.27Å; I129-L138 HydrophobicContact CG2-CD1 4.18Å; A132-L138 HydrophobicContact CB-CD1 3.77Å; A132-L138 HydrophobicContact CB-CG 3.92Å; G136-L138 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 2.92Å; L138-C141 VanDerWaalsContact CB-SG 3.51Å; L138-C141 PolarHBondContact O-N 2.9Å
139	S	94.3	Very high	95.8	Very high	92 Å²	92	56.9 Å²	56.9	64%	0.643	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.5	-176.8	57	0	0	0	0	114.1	E67	E67-S139 WeakPolarHBondContact OE2-CB 3.29Å; E67-S139 PolarHBondContact OE2-N 2.73Å; E67-S139 PolarHBondContact OE2-OG 2.89Å
140	T	94.7	Very high	95.5	Very high	71 Å²	71	67.2 Å²	67.2	44%	0.436	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.3	-173.8	59	0	0	0	0	114.3	Y65 H68 L138 Y167	Y65-T140 HydrophobicContact CD1-CG2 4.41Å; Y65-T140 HydrophobicContact CE1-CG2 4.3Å; H68-T140 PolarHBondContact CE1-OG1 3.44Å; H68-T140 PolarHBondContact NE2-OG1 2.96Å; L138-T140 PolarHBondContact O-N 2.92Å; T140-Y167 PolarHBondContact OG1-OH 2.93Å
141	C	96.8	Very high	95.3	Very high	25 Å²	25	73.8 Å²	73.8	17%	0.169	39%	0.394	C	S	.	.			trans	-142.8	174.4	176.4	60.5	0	0	0	0	111.4	C133 L138 Y167	C133-C141 WeakPolarHBondContact CA-SG 3.45Å; C133-C141 HydrophobicContact CB-CB 3.85Å; C133-C141 WeakPolarHBondContact CB-SG 3.24Å; C133-C141 WeakPolarHBondContact SG-CB 3.28Å; C133-C141 CovalentContact SG-SG 2.03Å; C133-C141 PolarHBondContact SG-SG 3.07Å; L138-C141 VanDerWaalsContact CB-SG 3.51Å; L138-C141 PolarHBondContact O-N 2.9Å; C141-Y167 HydrophobicContact CB-CD1 3.87Å; C141-Y167 HydrophobicContact CB-CD2 3.78Å; C141-Y167 HydrophobicContact CB-CE1 3.9Å; C141-Y167 HydrophobicContact CB-CE2 3.78Å; C141-Y167 HydrophobicContact CB-CG 3.82Å
142	G	96.1	Very high	95.1	Very high	30 Å²	30	70.2 Å²	70.2	31%	0.309	38%	0.382	S	S	.	.			trans	-153.8	-158.1	174.7	0	0	0	0	0	110	C133 N164	C133-G142 CarbonylContact O-C 3.31Å; C133-G142 VanDerWaalsContact O-C 3.31Å; C133-G142 WeakPolarHBondContact O-CA 3.35Å; G142-N164 VanDerWaalsContact O-CB 3.26Å; G142-N164 WeakPolarHBondContact O-CB 3.26Å; G142-N164 PolarHBondContact O-ND2 2.7Å
143	C	96.1	Very high	94.9	Very high	53 Å²	53	72.6 Å²	72.6	36%	0.358	40%	0.398	S	S	.	.	S	Bend	trans	-52.6	153.9	178.4	-50.4	0	0	0	0	113.3	R145 C161	C143-R145 PolarHBondContact O-N 3.04Å; C143-C161 HydrophobicContact CB-CB 3.97Å; C143-C161 WeakPolarHBondContact CB-SG 3.27Å; C143-C161 WeakPolarHBondContact SG-CB 3.31Å; C143-C161 CovalentContact SG-SG 2.03Å; C143-C161 PolarHBondContact SG-SG 3.16Å
144	S	95.3	Very high	94.6	Very high	24 Å²	24	84 Å²	84	17%	0.168	44%	0.44	C	S	.	.			trans	-51.5	136.3	172.7	-168.3	0	0	0	0	112.6	T146 G162 D163	S144-T146 WeakPolarHBondContact OG-CB 3.46Å; S144-T146 PolarHBondContact OG-N 3.24Å; S144-T146 PolarHBondContact OG-OG1 2.94Å; S144-T146 VanDerWaalsContact OG-OG1 3.08Å; S144-G162 WeakPolarHBondContact CB-O 3.2Å; S144-G162 PolarHBondContact N-O 2.99Å; S144-D163 VanDerWaalsContact CB-O 3.28Å; S144-D163 WeakPolarHBondContact CB-O 3.2Å
145	R	91.8	Very high	94.3	Very high	238 Å²	238	85.9 Å²	85.9	90%	0.898	46%	0.456	S	S	*	.			trans	-104.2	15.3	171.8	-60.3	-176.3	-178	175.9	0.1	112.2	C143 A147	C143-R145 PolarHBondContact O-N 3.04Å; R145-A147 PolarHBondContact O-N 3.43Å
146	T	92.4	Very high	94.1	Very high	56 Å²	56	84.5 Å²	84.5	34%	0.344	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-61.4	134	-179.4	-61.3	0	0	0	0	110.4	S144 W158 L233	S144-T146 WeakPolarHBondContact OG-CB 3.46Å; S144-T146 PolarHBondContact OG-N 3.24Å; S144-T146 PolarHBondContact OG-OG1 2.94Å; S144-T146 VanDerWaalsContact OG-OG1 3.08Å; T146-W158 PolarHBondContact O-NE1 2.85Å; T146-L233 HydrophobicContact CG2-CD2 4.39Å
147	A	93.3	Very high	94	Very high	78 Å²	78	85.8 Å²	85.8	65%	0.645	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-64.3	153.4	176.9	0	0	0	0	0	111.1	R145 P149	R145-A147 PolarHBondContact O-N 3.43Å; A147-P149 WeakPolarHBondContact O-CD 3.29Å
148	R	94.3	Very high	94.1	Very high	91 Å²	91	85.2 Å²	85.2	34%	0.343	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-53.7	127.2	174.1	177.4	-176.5	172.9	120	12.2	110.6	L152 P153 W156 W158	R148-L152 HydrophobicContact CG-CB 4.48Å; R148-L152 HydrophobicContact CG-CD2 4.13Å; R148-L152 PolarHBondContact NH2-O 3.06Å; R148-P153 PolarHBondContact NH2-O 3.43Å; R148-W156 PolarHBondContact NH1-O 3.16Å; R148-W156 PolarHBondContact NH2-O 3.17Å; R148-W158 HydrophobicContact CB-CB 3.95Å; R148-W158 HydrophobicContact CB-CD2 4.28Å; R148-W158 HydrophobicContact CB-CG 3.75Å; R148-W158 HydrophobicContact CG-CB 3.9Å; R148-W158 HydrophobicContact CG-CG 4.11Å
149	P	94.6	Very high	93.9	Very high	32 Å²	32	86.3 Å²	86.3	21%	0.208	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-59.7	140.3	173.4	-24.2	35	0	0	0	111.9	A147 D151 L152 W158 V215	A147-P149 WeakPolarHBondContact O-CD 3.29Å; P149-D151 VanDerWaalsContact C-N 3.28Å; P149-D151 WeakPolarHBondContact CB-OD1 3.5Å; P149-D151 PolarHBondContact O-N 3.03Å; P149-L152 HydrophobicContact CB-CB 4.35Å; P149-L152 WeakPolarHBondContact O-CB 3.42Å; P149-L152 PolarHBondContact O-N 3.39Å; P149-W158 HydrophobicContact CG-CH2 4.18Å; P149-W158 HydrophobicContact CG-CZ3 4.17Å; P149-V215 HydrophobicContact CG-CG2 3.78Å
150	K	93.3	Very high	93.7	Very high	216 Å²	216	85 Å²	85	94%	0.939	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.5	-174.5	-67.9	-176	179.6	-179.9	0	112.9	L152	K150-L152 VanDerWaalsContact C-N 3.31Å
151	D	93.9	Very high	93.7	Very high	138 Å²	138	83.8 Å²	83.8	74%	0.738	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.3	178.1	57.9	-43	0	0	0	113.2	P149 P153	P149-D151 VanDerWaalsContact C-N 3.28Å; P149-D151 WeakPolarHBondContact CB-OD1 3.5Å; P149-D151 PolarHBondContact O-N 3.03Å; D151-P153 WeakPolarHBondContact O-CD 3.32Å
152	L	93.4	Very high	93.7	Very high	15 Å²	15	82.7 Å²	82.7	8%	0.079	43%	0.434	C	S	.	.	S	Bend	trans	-70.5	122.1	178.9	-167.4	70.1	0	0	0	111.1	R148 P149 K150 R154 W156 W158 V215 C231	R148-L152 HydrophobicContact CG-CB 4.48Å; R148-L152 HydrophobicContact CG-CD2 4.13Å; R148-L152 PolarHBondContact NH2-O 3.06Å; P149-L152 HydrophobicContact CB-CB 4.35Å; P149-L152 WeakPolarHBondContact O-CB 3.42Å; P149-L152 PolarHBondContact O-N 3.39Å; K150-L152 VanDerWaalsContact C-N 3.31Å; L152-R154 PolarHBondContact O-N 3.07Å; L152-W156 HydrophobicContact CD1-CD2 4.23Å; L152-W156 HydrophobicContact CD1-CE3 3.5Å; L152-W156 HydrophobicContact CD1-CZ3 4.11Å; L152-W156 HydrophobicContact CD2-CB 4.43Å; L152-W156 HydrophobicContact CG-CB 4.22Å; L152-W156 HydrophobicContact CG-CE3 4.37Å; L152-W158 HydrophobicContact CD2-CB 4.47Å; L152-W158 HydrophobicContact CD2-CE3 3.8Å; L152-W158 HydrophobicContact CD2-CZ3 4.49Å; L152-V215 HydrophobicContact CD1-CG1 3.86Å; L152-C231 HydrophobicContact CD2-CB 4.45Å
153	P	93.7	Very high	93.8	Very high	52 Å²	52	81.3 Å²	81.3	34%	0.338	42%	0.42	S	S	.	.			trans	-55.7	136	-177.1	-27.7	36.5	0	0	0	113	R148 D151 D155 W156	R148-P153 PolarHBondContact NH2-O 3.43Å; D151-P153 WeakPolarHBondContact O-CD 3.32Å; P153-D155 WeakPolarHBondContact CB-OD1 3.44Å; P153-D155 PolarHBondContact O-N 3.17Å; P153-D155 VanDerWaalsContact O-N 3.12Å; P153-W156 HydrophobicContact CB-CD2 4.11Å; P153-W156 HydrophobicContact CB-CG 4.05Å; P153-W156 HydrophobicContact CB-CZ2 4.39Å; P153-W156 HydrophobicContact CG-CD2 3.96Å; P153-W156 VanDerWaalsContact CG-CE2 3.48Å; P153-W156 HydrophobicContact CG-CG 4.42Å; P153-W156 HydrophobicContact CG-CH2 4.39Å; P153-W156 HydrophobicContact CG-CZ2 3.71Å; P153-W156 WeakPolarHBondContact O-CB 3.38Å; P153-W156 PolarHBondContact O-N 3.27Å
154	R	91	Very high	93.9	Very high	239 Å²	239	79.9 Å²	79.9	90%	0.902	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.4	-167.4	-69.2	-172.5	-179.6	-161	1.4	114	L152 W156	L152-R154 PolarHBondContact O-N 3.07Å; R154-W156 PolarHBondContact O-N 3.01Å
155	D	91	Very high	94	Very high	116 Å²	116	78.8 Å²	78.8	62%	0.62	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.7	177.7	57.6	-49	0	0	0	113.5	P153	P153-D155 WeakPolarHBondContact CB-OD1 3.44Å; P153-D155 PolarHBondContact O-N 3.17Å; P153-D155 VanDerWaalsContact O-N 3.12Å
156	W	93.7	Very high	94.3	Very high	68 Å²	68	70.2 Å²	70.2	26%	0.258	37%	0.371	S	S	.	.	S	Bend	trans	-88.5	127.3	179.5	-53.7	10	0	0	0	108.5	R148 L152 P153 R154 K229	R148-W156 PolarHBondContact NH1-O 3.16Å; R148-W156 PolarHBondContact NH2-O 3.17Å; L152-W156 HydrophobicContact CD1-CD2 4.23Å; L152-W156 HydrophobicContact CD1-CE3 3.5Å; L152-W156 HydrophobicContact CD1-CZ3 4.11Å; L152-W156 HydrophobicContact CD2-CB 4.43Å; L152-W156 HydrophobicContact CG-CB 4.22Å; L152-W156 HydrophobicContact CG-CE3 4.37Å; P153-W156 HydrophobicContact CB-CD2 4.11Å; P153-W156 HydrophobicContact CB-CG 4.05Å; P153-W156 HydrophobicContact CB-CZ2 4.39Å; P153-W156 HydrophobicContact CG-CD2 3.96Å; P153-W156 VanDerWaalsContact CG-CE2 3.48Å; P153-W156 HydrophobicContact CG-CG 4.42Å; P153-W156 HydrophobicContact CG-CH2 4.39Å; P153-W156 HydrophobicContact CG-CZ2 3.71Å; P153-W156 WeakPolarHBondContact O-CB 3.38Å; P153-W156 PolarHBondContact O-N 3.27Å; R154-W156 PolarHBondContact O-N 3.01Å; W156-K229 HydrophobicContact CB-CG 4.37Å; W156-K229 HydrophobicContact CD2-CD 4.15Å; W156-K229 VanDerWaalsContact CD2-NZ 3.31Å; W156-K229 HydrophobicContact CE3-CD 4.43Å; W156-K229 HydrophobicContact CG-CD 4.24Å; W156-K229 HydrophobicContact CG-CG 4.21Å; W156-K229 VanDerWaalsContact CH2-NZ 3.28Å; W156-K229 VanDerWaalsContact NE1-NZ 3.14Å
157	L	94.3	Very high	94.6	Very high	86 Å²	86	69.9 Å²	69.9	45%	0.45	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	135.4	178.6	-60.3	-178.4	0	0	0	110	L228 K229 T230 C231	L157-L228 HydrophobicContact CD1-CD1 3.72Å; L157-L228 HydrophobicContact CD1-CG 4.42Å; L157-L228 HydrophobicContact CG-CD1 4.21Å; L157-K229 PolarHBondContact N-O 3.49Å; L157-T230 HydrophobicContact CB-CG2 4.49Å; L157-T230 CarbonylContact O-C 3.54Å; L157-T230 WeakPolarHBondContact O-CA 3.47Å; L157-C231 PolarHBondContact O-N 3Å
158	W	96.3	Very high	94.8	Very high	66 Å²	66	66.1 Å²	66.1	25%	0.25	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.9	170.3	-176.1	-107.3	0	0	0	108.8	T146 R148 P149 L152 V215 C231 L233	T146-W158 PolarHBondContact O-NE1 2.85Å; R148-W158 HydrophobicContact CB-CB 3.95Å; R148-W158 HydrophobicContact CB-CD2 4.28Å; R148-W158 HydrophobicContact CB-CG 3.75Å; R148-W158 HydrophobicContact CG-CB 3.9Å; R148-W158 HydrophobicContact CG-CG 4.11Å; P149-W158 HydrophobicContact CG-CH2 4.18Å; P149-W158 HydrophobicContact CG-CZ3 4.17Å; L152-W158 HydrophobicContact CD2-CB 4.47Å; L152-W158 HydrophobicContact CD2-CE3 3.8Å; L152-W158 HydrophobicContact CD2-CZ3 4.49Å; W158-V215 HydrophobicContact CH2-CG2 4.5Å; W158-V215 HydrophobicContact CZ3-CG1 4.09Å; W158-V215 HydrophobicContact CZ3-CG2 4.03Å; W158-C231 WeakPolarHBondContact CA-O 3.29Å; W158-C231 HydrophobicContact CE3-CB 4.34Å; W158-L233 HydrophobicContact CH2-CB 3.99Å; W158-L233 VanDerWaalsContact CH2-N 3.26Å; W158-L233 HydrophobicContact CZ2-CB 4.34Å
159	G	91.1	Very high	95	Very high	26 Å²	26	63.1 Å²	63.1	27%	0.268	32%	0.322	S	S	.	.			trans	172.7	-169.6	-175.8	0	0	0	0	0	113	C231 W232	G159-C231 PolarHBondContact N-O 3.2Å; G159-C231 CarbonylContact O-C 3.54Å; G159-W232 WeakPolarHBondContact O-CB 3.13Å
160	G	91	Very high	95.2	Very high	66 Å²	66	69 Å²	69	68%	0.68	34%	0.34	S	S	*	.	S	Bend	trans	82.4	-166.7	-169.8	0	0	0	0	0	112.3
161	C	95.2	Very high	95.4	Very high	44 Å²	44	59.3 Å²	59.3	30%	0.297	30%	0.298	S	S	.	.			trans	-109.9	98.7	-179	-170.4	0	0	0	0	110.3	R134 C143	R134-C161 WeakPolarHBondContact CD-O 3.28Å; R134-C161 HydrophobicContact CG-CB 4.39Å; R134-C161 WeakPolarHBondContact CG-O 3.44Å; R134-C161 PolarHBondContact O-SG 2.94Å; C143-C161 HydrophobicContact CB-CB 3.97Å; C143-C161 WeakPolarHBondContact CB-SG 3.27Å; C143-C161 WeakPolarHBondContact SG-CB 3.31Å; C143-C161 CovalentContact SG-SG 2.03Å; C143-C161 PolarHBondContact SG-SG 3.16Å
162	G	96.4	Very high	95.7	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.031	26%	0.263	C	S	.	.			trans	-84.9	161.6	175.2	0	0	0	0	0	113.4	S144 N164 L233	S144-G162 WeakPolarHBondContact CB-O 3.2Å; S144-G162 PolarHBondContact N-O 2.99Å; G162-N164 PolarHBondContact O-N 3.11Å; G162-L233 CarbonylContact C-O 3.53Å; G162-L233 WeakPolarHBondContact CA-O 3.25Å
163	D	98.1	Very high	95.9	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.274	C	S	.	.			trans	-63.4	130.7	175.1	-68.6	-56.1	0	0	0	111.2	R134 S144 V165 L233 Q234 L235	R134-D163 VanDerWaalsContact CD-OD1 3.23Å; R134-D163 WeakPolarHBondContact CD-OD1 3.42Å; R134-D163 IonicContact NE-OD1 2.76Å; R134-D163 PolarHBondContact NE-OD1 3.11Å; S144-D163 VanDerWaalsContact CB-O 3.28Å; S144-D163 WeakPolarHBondContact CB-O 3.2Å; D163-V165 VanDerWaalsContact C-N 3.26Å; D163-V165 HydrophobicContact CB-CG2 4.15Å; D163-V165 PolarHBondContact O-N 2.77Å; D163-L233 PolarHBondContact N-O 3.43Å; D163-Q234 WeakPolarHBondContact OD2-CA 3.47Å; D163-L235 HydrophobicContact CB-CD1 3.91Å; D163-L235 HydrophobicContact CB-CG 3.7Å; D163-L235 PolarHBondContact OD2-N 3.28Å
164	N	97.9	Very high	96.1	Very high	22 Å²	22	58.2 Å²	58.2	12%	0.118	28%	0.282	C	S	.	.			trans	-85.8	68.2	-177.5	-163.6	-18.4	0	0	0	111.7	S130 C133 G142 G162 E166 Y167 G168	S130-N164 PolarHBondContact O-N 2.79Å; S130-N164 PolarHBondContact OG-O 3.3Å; C133-N164 HydrophobicContact CB-CB 3.83Å; G142-N164 VanDerWaalsContact O-CB 3.26Å; G142-N164 WeakPolarHBondContact O-CB 3.26Å; G142-N164 PolarHBondContact O-ND2 2.7Å; G162-N164 PolarHBondContact O-N 3.11Å; N164-E166 VanDerWaalsContact C-N 3.27Å; N164-E166 PolarHBondContact O-N 3.11Å; N164-Y167 PolarHBondContact O-N 3.36Å; N164-Y167 WeakPolarHBondContact OD1-CB 3.47Å; N164-Y167 PolarHBondContact OD1-N 2.66Å; N164-G168 PolarHBondContact O-N 3.47Å; N164-G168 VanDerWaalsContact O-N 3.12Å
165	V	98	Very high	96.4	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-35	-173.4	-164.8	0	0	0	0	112.5	V126 S130 D163 G168 Y169 V209 Y210 A213 L233 L235	V126-V165 HydrophobicContact CG1-CG1 4.27Å; S130-V165 WeakPolarHBondContact OG-CA 3.31Å; D163-V165 VanDerWaalsContact C-N 3.26Å; D163-V165 HydrophobicContact CB-CG2 4.15Å; D163-V165 PolarHBondContact O-N 2.77Å; V165-G168 PolarHBondContact O-N 2.97Å; V165-Y169 VanDerWaalsContact O-CB 3.26Å; V165-Y169 WeakPolarHBondContact O-CB 3.45Å; V165-Y169 PolarHBondContact O-N 3.44Å; V165-V209 HydrophobicContact CG1-CG1 4.39Å; V165-Y210 HydrophobicContact CG1-CD2 3.96Å; V165-A213 HydrophobicContact CG2-CB 3.97Å; V165-L233 HydrophobicContact CG2-CD2 4.01Å; V165-L235 HydrophobicContact CG1-CD2 4.14Å; V165-L235 HydrophobicContact CG2-CD2 3.71Å; V165-L235 HydrophobicContact CG2-CG 4.21Å
166	E	97.6	Very high	96.7	Very high	58 Å²	58	41.5 Å²	41.5	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-44.5	177.1	-176.5	64.9	-154	0	0	111.9	N164 Y169 R170 Y210	N164-E166 VanDerWaalsContact C-N 3.27Å; N164-E166 PolarHBondContact O-N 3.11Å; E166-Y169 PolarHBondContact O-N 3.21Å; E166-R170 WeakPolarHBondContact O-CG 3.21Å; E166-R170 PolarHBondContact O-N 3.27Å; E166-R170 VanDerWaalsContact O-N 3.12Å; E166-R170 IonicContact OE1-CZ 3.16Å; E166-R170 IonicContact OE1-NE 3.6Å; E166-R170 PolarHBondContact OE1-NE 3.46Å; E166-R170 IonicContact OE1-NH2 2.74Å; E166-R170 PolarHBondContact OE1-NH2 3.36Å; E166-Y210 VanDerWaalsContact OE2-CE2 3.25Å; E166-Y210 WeakPolarHBondContact OE2-CE2 3.45Å; E166-Y210 PolarHBondContact OE2-OH 3.09Å
167	Y	98.3	Very high	96.9	Very high	48 Å²	48	38.3 Å²	38.3	19%	0.188	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-49.3	176.4	-179.9	-85.9	0	0	0	111.1	H68 I129 C133 T140 C141 N164 Y169 R170 F171	H68-Y167 AromaticContact NE2-CE1 3.74Å; H68-Y167 AromaticContact NE2-CZ 3.69Å; H68-Y167 PolarHBondContact NE2-OH 3.37Å; I129-Y167 HydrophobicContact CG2-CD1 3.8Å; I129-Y167 HydrophobicContact CG2-CE1 3.75Å; C133-Y167 WeakPolarHBondContact SG-CD1 3.43Å; T140-Y167 PolarHBondContact OG1-OH 2.93Å; C141-Y167 HydrophobicContact CB-CD1 3.87Å; C141-Y167 HydrophobicContact CB-CD2 3.78Å; C141-Y167 HydrophobicContact CB-CE1 3.9Å; C141-Y167 HydrophobicContact CB-CE2 3.78Å; C141-Y167 HydrophobicContact CB-CG 3.82Å; N164-Y167 PolarHBondContact O-N 3.36Å; N164-Y167 WeakPolarHBondContact OD1-CB 3.47Å; N164-Y167 PolarHBondContact OD1-N 2.66Å; Y167-Y169 VanDerWaalsContact C-N 3.28Å; Y167-Y169 PolarHBondContact O-N 3.5Å; Y167-R170 PolarHBondContact O-N 3.22Å; Y167-F171 HydrophobicContact CE1-CB 4.29Å; Y167-F171 WeakPolarHBondContact O-CB 3.43Å; Y167-F171 PolarHBondContact O-N 3.11Å
168	G	98.3	Very high	97	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-38.7	178.7	0	0	0	0	0	112.5	S130 N164 V165 A172	S130-G168 WeakPolarHBondContact OG-CA 3.37Å; N164-G168 PolarHBondContact O-N 3.47Å; N164-G168 VanDerWaalsContact O-N 3.12Å; V165-G168 PolarHBondContact O-N 2.97Å; G168-A172 WeakPolarHBondContact O-CB 3.5Å; G168-A172 PolarHBondContact O-N 2.9Å
169	Y	98.6	Very high	96.8	Very high	28 Å²	28	34.2 Å²	34.2	11%	0.11	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-52.8	174.4	-171.1	-74.4	0	0	0	112	V165 E166 Y167 A172 K173 E203 R206 R207 Y210	V165-Y169 VanDerWaalsContact O-CB 3.26Å; V165-Y169 WeakPolarHBondContact O-CB 3.45Å; V165-Y169 PolarHBondContact O-N 3.44Å; E166-Y169 PolarHBondContact O-N 3.21Å; Y167-Y169 VanDerWaalsContact C-N 3.28Å; Y167-Y169 PolarHBondContact O-N 3.5Å; Y169-A172 PolarHBondContact O-N 3.35Å; Y169-K173 WeakPolarHBondContact O-CB 3.4Å; Y169-K173 PolarHBondContact O-N 3.45Å; Y169-E203 PolarHBondContact OH-OE1 3.19Å; Y169-E203 PolarHBondContact OH-OE2 3.07Å; Y169-E203 VanDerWaalsContact OH-OE2 3.06Å; Y169-R206 HydrophobicContact CD2-CB 3.71Å; Y169-R206 HydrophobicContact CE2-CB 3.48Å; Y169-R206 VanDerWaalsContact CE2-CB 3.48Å; Y169-R206 HydrophobicContact CG-CB 4.38Å; Y169-R207 HydrophobicContact CE2-CG 4.11Å; Y169-R207 WeakPolarHBondContact OH-CG 3.36Å; Y169-Y210 HydrophobicContact CD2-CD2 4.13Å; Y169-Y210 HydrophobicContact CD2-CG 4.35Å
170	R	98.3	Very high	97	Very high	154 Å²	154	33.1 Å²	33.1	58%	0.581	17%	0.167	S	C	*	.	H	α-helix	trans	-64.2	-46.1	-177.7	-69.4	177.7	-168.6	-174.4	4.4	111.2	E166 Y167 K173 E174	E166-R170 WeakPolarHBondContact O-CG 3.21Å; E166-R170 PolarHBondContact O-N 3.27Å; E166-R170 VanDerWaalsContact O-N 3.12Å; E166-R170 IonicContact OE1-CZ 3.16Å; E166-R170 IonicContact OE1-NE 3.6Å; E166-R170 PolarHBondContact OE1-NE 3.46Å; E166-R170 IonicContact OE1-NH2 2.74Å; E166-R170 PolarHBondContact OE1-NH2 3.36Å; Y167-R170 PolarHBondContact O-N 3.22Å; R170-K173 WeakPolarHBondContact O-CB 3.34Å; R170-K173 PolarHBondContact O-N 2.83Å; R170-E174 PolarHBondContact O-N 2.96Å; R170-E174 VanDerWaalsContact O-N 3.09Å
171	F	98.3	Very high	97.1	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.061	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-47.4	178.6	-177.8	-90.4	0	0	0	111.7	Y65 H68 I72 I129 Y167 K173 E174 F175	Y65-F171 HydrophobicContact CD1-CE2 4.34Å; Y65-F171 AromaticContact CD2-CE2 3.88Å; Y65-F171 HydrophobicContact CD2-CE2 3.88Å; Y65-F171 AromaticContact CG-CE2 3.77Å; Y65-F171 HydrophobicContact CG-CE2 3.77Å; H68-F171 HydrophobicContact CB-CE1 4.05Å; H68-F171 HydrophobicContact CB-CE2 4.16Å; H68-F171 HydrophobicContact CB-CZ 3.56Å; H68-F171 AromaticContact CD2-CD2 3.72Å; H68-F171 AromaticContact CD2-CE2 3.46Å; H68-F171 VanDerWaalsContact CD2-CE2 3.46Å; H68-F171 WeakPolarHBondContact CD2-CE2 3.2Å; H68-F171 AromaticContact CD2-CZ 3.63Å; H68-F171 AromaticContact CG-CE2 3.9Å; H68-F171 AromaticContact CG-CZ 3.81Å; I72-F171 HydrophobicContact CD1-CE1 3.6Å; I72-F171 HydrophobicContact CD1-CZ 3.82Å; I72-F171 HydrophobicContact CG1-CE1 3.84Å; I72-F171 HydrophobicContact CG1-CZ 4.49Å; I129-F171 HydrophobicContact CD1-CD1 4.24Å; I129-F171 HydrophobicContact CD1-CE1 4.18Å; I129-F171 HydrophobicContact CG1-CD1 4.03Å; I129-F171 HydrophobicContact CG1-CE1 4.36Å; I129-F171 HydrophobicContact CG2-CB 4.48Å; I129-F171 HydrophobicContact CG2-CD1 4.41Å; Y167-F171 HydrophobicContact CE1-CB 4.29Å; Y167-F171 WeakPolarHBondContact O-CB 3.43Å; Y167-F171 PolarHBondContact O-N 3.11Å; F171-K173 VanDerWaalsContact C-N 3.25Å; F171-K173 PolarHBondContact O-N 3.07Å; F171-E174 PolarHBondContact O-N 3.37Å; F171-F175 HydrophobicContact CE1-CB 4.09Å; F171-F175 HydrophobicContact CE1-CG 4.47Å; F171-F175 HydrophobicContact CZ-CB 4.37Å; F171-F175 PolarHBondContact O-N 3.49Å
172	A	98.3	Very high	97	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-35.8	177.4	0	0	0	0	0	111.9	V125 V126 G168 Y169 V176 R206	V125-A172 HydrophobicContact CB-CB 4.19Å; V125-A172 HydrophobicContact CG1-CB 3.83Å; V126-A172 HydrophobicContact CG2-CB 3.48Å; V126-A172 VanDerWaalsContact CG2-CB 3.48Å; G168-A172 WeakPolarHBondContact O-CB 3.5Å; G168-A172 PolarHBondContact O-N 2.9Å; Y169-A172 PolarHBondContact O-N 3.35Å; A172-V176 HydrophobicContact CB-CG2 4.48Å; A172-V176 WeakPolarHBondContact O-CB 3.42Å; A172-V176 VanDerWaalsContact O-CG2 3.27Å; A172-V176 WeakPolarHBondContact O-CG2 3.25Å; A172-V176 PolarHBondContact O-N 2.89Å; A172-R206 HydrophobicContact CB-CG 4.39Å
173	K	98.4	Very high	96.7	Very high	74 Å²	74	41.2 Å²	41.2	32%	0.322	18%	0.176	S	C	.	.	H	α-helix	trans	-61.4	-48.8	174.1	-176.7	178.7	178.3	179.6	0	111.9	Y169 R170 F171 D177	Y169-K173 WeakPolarHBondContact O-CB 3.4Å; Y169-K173 PolarHBondContact O-N 3.45Å; R170-K173 WeakPolarHBondContact O-CB 3.34Å; R170-K173 PolarHBondContact O-N 2.83Å; F171-K173 VanDerWaalsContact C-N 3.25Å; F171-K173 PolarHBondContact O-N 3.07Å; K173-D177 WeakPolarHBondContact O-CB 3.35Å; K173-D177 VanDerWaalsContact O-CG 3.32Å; K173-D177 PolarHBondContact O-N 2.91Å
174	E	98	Very high	96.3	Very high	107 Å²	107	48.4 Å²	48.4	50%	0.5	21%	0.214	S	C	.	.	H	α-helix	trans	-65.7	-45.9	179.3	-63.9	-54.4	134.2	0	0	111.8	L61 R170 F171 A178	L61-E174 HydrophobicContact CD1-CB 4.3Å; R170-E174 PolarHBondContact O-N 2.96Å; R170-E174 VanDerWaalsContact O-N 3.09Å; F171-E174 PolarHBondContact O-N 3.37Å; E174-A178 VanDerWaalsContact O-CB 3.29Å; E174-A178 WeakPolarHBondContact O-CB 3.22Å; E174-A178 PolarHBondContact O-N 3.35Å
175	F	97.6	Very high	96	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-76.7	-48	-174.8	-176.7	-89.3	0	0	0	114.1	W26 L29 L54 Q58 L61 M69 I72 F171	W26-F175 HydrophobicContact CB-CE1 4.27Å; W26-F175 HydrophobicContact CB-CZ 4.47Å; W26-F175 HydrophobicContact CD2-CE1 4.06Å; W26-F175 AromaticContact CE3-CE1 3.93Å; W26-F175 HydrophobicContact CE3-CE1 3.93Å; W26-F175 HydrophobicContact CG-CE1 4.2Å; L29-F175 HydrophobicContact CD1-CZ 4.49Å; L54-F175 HydrophobicContact CD2-CE2 4.38Å; L54-F175 HydrophobicContact CD2-CZ 3.83Å; Q58-F175 HydrophobicContact CB-CD2 4.45Å; Q58-F175 HydrophobicContact CB-CE2 3.92Å; Q58-F175 HydrophobicContact CB-CZ 4.27Å; Q58-F175 HydrophobicContact CG-CD2 4.36Å; Q58-F175 HydrophobicContact CG-CE2 4.13Å; Q58-F175 HydrophobicContact CG-CZ 4.26Å; Q58-F175 WeakPolarHBondContact CG-O 3.34Å; Q58-F175 PolarHBondContact NE2-O 3.15Å; L61-F175 HydrophobicContact CB-CD2 4.17Å; L61-F175 HydrophobicContact CD1-CB 4.13Å; L61-F175 HydrophobicContact CD1-CD2 4.2Å; M69-F175 HydrophobicContact CE-CE2 4.06Å; M69-F175 HydrophobicContact CE-CZ 3.98Å; M69-F175 HydrophobicContact SD-CE2 4.06Å; M69-F175 HydrophobicContact SD-CZ 4.5Å; I72-F175 HydrophobicContact CD1-CD1 3.97Å; I72-F175 HydrophobicContact CD1-CD2 3.84Å; I72-F175 HydrophobicContact CD1-CE1 3.93Å; I72-F175 HydrophobicContact CD1-CE2 3.77Å; I72-F175 HydrophobicContact CD1-CG 3.93Å; I72-F175 HydrophobicContact CD1-CZ 3.82Å; I72-F175 HydrophobicContact CG2-CD1 4.09Å; I72-F175 HydrophobicContact CG2-CE1 3.51Å; I72-F175 HydrophobicContact CG2-CZ 4Å; F171-F175 HydrophobicContact CE1-CB 4.09Å; F171-F175 HydrophobicContact CE1-CG 4.47Å; F171-F175 HydrophobicContact CZ-CB 4.37Å; F171-F175 PolarHBondContact O-N 3.49Å
176	V	96.9	Very high	95.8	Very high	4 Å²	4	55 Å²	55	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-73.4	-35.9	-174.9	-177.5	0	0	0	0	110.6	W26 A122 V125 A172	W26-V176 HydrophobicContact CH2-CG2 4.18Å; W26-V176 HydrophobicContact CZ2-CB 4.47Å; W26-V176 HydrophobicContact CZ2-CG1 3.8Å; W26-V176 HydrophobicContact CZ2-CG2 3.97Å; A122-V176 HydrophobicContact CB-CG1 4.31Å; V125-V176 HydrophobicContact CB-CG2 4.33Å; V125-V176 HydrophobicContact CG1-CG2 4.45Å; V125-V176 HydrophobicContact CG2-CG2 4.13Å; A172-V176 HydrophobicContact CB-CG2 4.48Å; A172-V176 WeakPolarHBondContact O-CB 3.42Å; A172-V176 VanDerWaalsContact O-CG2 3.27Å; A172-V176 WeakPolarHBondContact O-CG2 3.25Å; A172-V176 PolarHBondContact O-N 2.89Å
177	D	97.3	Very high	95.5	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.011	28%	0.275	C	S	.	.	H	α-helix	trans	-82.7	-15.9	-179.5	-60.6	-7.1	0	0	0	113.1	K173 R179 E180 R181 L199 N202 R206	K173-D177 WeakPolarHBondContact O-CB 3.35Å; K173-D177 VanDerWaalsContact O-CG 3.32Å; K173-D177 PolarHBondContact O-N 2.91Å; D177-R179 VanDerWaalsContact C-N 3.34Å; D177-R179 PolarHBondContact O-N 3.19Å; D177-E180 PolarHBondContact O-N 3.37Å; D177-R181 HydrophobicContact CB-CG 4.37Å; D177-R181 WeakPolarHBondContact O-CG 3.22Å; D177-R181 PolarHBondContact O-N 2.9Å; D177-R181 IonicContact OD2-NH2 2.84Å; D177-L199 HydrophobicContact CB-CD2 3.55Å; D177-N202 WeakPolarHBondContact OD1-CB 3.25Å; D177-N202 PolarHBondContact OD1-ND2 2.64Å; D177-R206 IonicContact OD1-CZ 3.9Å; D177-R206 IonicContact OD1-NH1 2.68Å; D177-R206 PolarHBondContact OD1-NH1 2.68Å; D177-R206 IonicContact OD1-NH2 2.8Å; D177-R206 IonicContact OD2-CZ 2.85Å; D177-R206 IonicContact OD2-NH1 3.44Å; D177-R206 PolarHBondContact OD2-NH1 3.17Å; D177-R206 IonicContact OD2-NH2 3.49Å; D177-R206 PolarHBondContact OD2-NH2 3.41Å
178	A	96.4	Very high	95.2	Very high	10 Å²	10	58.5 Å²	58.5	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-49	-51.8	-175.8	0	0	0	0	0	112.6	Q58 L61 E174 E180 R181 E182	Q58-A178 HydrophobicContact CG-CB 3.8Å; L61-A178 HydrophobicContact CD1-CB 4.46Å; E174-A178 VanDerWaalsContact O-CB 3.29Å; E174-A178 WeakPolarHBondContact O-CB 3.22Å; E174-A178 PolarHBondContact O-N 3.35Å; A178-E180 VanDerWaalsContact C-N 3.31Å; A178-E180 PolarHBondContact O-N 3.03Å; A178-R181 PolarHBondContact O-N 3.05Å; A178-E182 VanDerWaalsContact O-CG 3.25Å; A178-E182 WeakPolarHBondContact O-CG 3.23Å; A178-E182 PolarHBondContact O-N 3.34Å
179	R	93.2	Very high	95.1	Very high	55 Å²	55	59.6 Å²	59.6	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-57.1	-41.4	179.3	172.8	179.6	-72.2	-139.9	-13.2	113.3	N24 G53 D177	N24-R179 PolarHBondContact O-NH1 3.49Å; N24-R179 PolarHBondContact O-NH2 2.91Å; G53-R179 PolarHBondContact O-NH2 3.33Å; D177-R179 VanDerWaalsContact C-N 3.34Å; D177-R179 PolarHBondContact O-N 3.19Å
180	E	94	Very high	94.8	Very high	3 Å²	3	65.8 Å²	65.8	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-76.2	-32.8	-177.5	-58.5	-56.5	160	0	0	111	Y118 D177 A178 K183 V195 N198 L199	Y118-E180 PolarHBondContact OH-OE1 3.03Å; D177-E180 PolarHBondContact O-N 3.37Å; A178-E180 VanDerWaalsContact C-N 3.31Å; A178-E180 PolarHBondContact O-N 3.03Å; E180-K183 PolarHBondContact O-N 2.91Å; E180-K183 IonicContact OE1-NZ 2.89Å; E180-K183 PolarHBondContact OE1-NZ 3.33Å; E180-K183 IonicContact OE2-NZ 3.31Å; E180-K183 PolarHBondContact OE2-NZ 3.45Å; E180-V195 HydrophobicContact CB-CG1 4.26Å; E180-V195 WeakPolarHBondContact O-CG1 3.5Å; E180-N198 HydrophobicContact CG-CB 3.99Å; E180-N198 PolarHBondContact OE1-ND2 3.01Å; E180-N198 PolarHBondContact OE2-ND2 3.49Å; E180-L199 HydrophobicContact CB-CD2 3.97Å; E180-L199 HydrophobicContact CB-CG 4.16Å
181	R	94	Very high	94.6	Very high	132 Å²	132	63.3 Å²	63.3	50%	0.498	31%	0.31	S	S	.	.	H	α-helix	trans	-72	-27.7	175.7	-68.8	173	-176.9	-95.6	-6.7	113.7	D177 A178 K183 L199	D177-R181 HydrophobicContact CB-CG 4.37Å; D177-R181 WeakPolarHBondContact O-CG 3.22Å; D177-R181 PolarHBondContact O-N 2.9Å; D177-R181 IonicContact OD2-NH2 2.84Å; A178-R181 PolarHBondContact O-N 3.05Å; R181-K183 VanDerWaalsContact C-N 3.27Å; R181-L199 HydrophobicContact CG-CD2 4.35Å
182	E	93.3	Very high	94.5	Very high	74 Å²	74	64.7 Å²	64.7	35%	0.346	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.3	177	-73.7	165.7	-129.5	0	0	112.9	S55 P56 G57 A178 N184	S55-E182 WeakPolarHBondContact CB-OE2 3.12Å; S55-E182 PolarHBondContact OG-OE1 2.93Å; S55-E182 PolarHBondContact OG-OE2 2.97Å; P56-E182 WeakPolarHBondContact CD-OE2 3.24Å; G57-E182 WeakPolarHBondContact CA-OE1 3.33Å; G57-E182 VanDerWaalsContact N-CD 3.27Å; G57-E182 PolarHBondContact N-OE1 2.98Å; G57-E182 PolarHBondContact N-OE2 3.27Å; A178-E182 VanDerWaalsContact O-CG 3.25Å; A178-E182 WeakPolarHBondContact O-CG 3.23Å; A178-E182 PolarHBondContact O-N 3.34Å; E182-N184 PolarHBondContact O-N 2.8Å
183	K	89.7	Confident	94.3	Very high	77 Å²	77	64.8 Å²	64.8	34%	0.335	32%	0.318	S	S	.	.			trans	-81	120.4	179.8	-65.7	174.2	-168.9	165.3	0	110.4	E180 R181 F185 V195	E180-K183 PolarHBondContact O-N 2.91Å; E180-K183 IonicContact OE1-NZ 2.89Å; E180-K183 PolarHBondContact OE1-NZ 3.33Å; E180-K183 IonicContact OE2-NZ 3.31Å; E180-K183 PolarHBondContact OE2-NZ 3.45Å; R181-K183 VanDerWaalsContact C-N 3.27Å; K183-F185 HydrophobicContact CB-CD2 4.09Å; K183-F185 HydrophobicContact CB-CE2 3.53Å; K183-F185 HydrophobicContact CB-CZ 4.04Å; K183-F185 HydrophobicContact CD-CE2 3.69Å; K183-F185 HydrophobicContact CD-CZ 3.95Å; K183-F185 HydrophobicContact CG-CE2 4.11Å; K183-F185 HydrophobicContact CG-CZ 4.28Å; K183-V195 HydrophobicContact CB-CG2 4.25Å; K183-V195 HydrophobicContact CD-CG2 4.07Å
184	N	88.9	Confident	94.2	Very high	153 Å²	153	64.5 Å²	64.5	82%	0.818	32%	0.315	S	S	*	.			trans	-105.8	109.2	172.7	-73	-31.4	0	0	0	109.7	E182	E182-N184 PolarHBondContact O-N 2.8Å
185	F	92.7	Very high	94.1	Very high	89 Å²	89	60.1 Å²	60.1	39%	0.39	30%	0.296	S	S	.	.			trans	-111.5	157.5	176.1	-63.7	-64.6	0	0	0	111.4	K183 E191 Q192 V195	K183-F185 HydrophobicContact CB-CD2 4.09Å; K183-F185 HydrophobicContact CB-CE2 3.53Å; K183-F185 HydrophobicContact CB-CZ 4.04Å; K183-F185 HydrophobicContact CD-CE2 3.69Å; K183-F185 HydrophobicContact CD-CZ 3.95Å; K183-F185 HydrophobicContact CG-CE2 4.11Å; K183-F185 HydrophobicContact CG-CZ 4.28Å; F185-E191 HydrophobicContact CB-CB 4.24Å; F185-E191 HydrophobicContact CD1-CB 3.6Å; F185-E191 HydrophobicContact CD1-CG 4.25Å; F185-E191 HydrophobicContact CD2-CB 3.72Å; F185-E191 HydrophobicContact CE1-CB 3.76Å; F185-E191 HydrophobicContact CE1-CG 4.15Å; F185-E191 HydrophobicContact CE2-CB 3.85Å; F185-E191 HydrophobicContact CG-CB 3.59Å; F185-E191 HydrophobicContact CZ-CB 3.89Å; F185-E191 HydrophobicContact CZ-CG 4.48Å; F185-Q192 HydrophobicContact CB-CB 4.13Å; F185-V195 HydrophobicContact CD2-CG2 3.75Å; F185-V195 HydrophobicContact CE2-CG2 3.55Å
186	A	92.8	Very high	94.1	Very high	74 Å²	74	62.7 Å²	62.7	61%	0.612	31%	0.309	S	S	*	.			trans	-58.5	140.4	176.1	0	0	0	0	0	110.8	G188 S189	A186-G188 PolarHBondContact O-N 3.38Å; A186-S189 VanDerWaalsContact O-CB 3.25Å; A186-S189 WeakPolarHBondContact O-CB 3.43Å; A186-S189 PolarHBondContact O-N 2.89Å; A186-S189 VanDerWaalsContact O-N 3.08Å; A186-S189 PolarHBondContact O-OG 3.49Å
187	K	92.9	Very high	94.1	Very high	154 Å²	154	62.5 Å²	62.5	67%	0.67	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	124.7	-177.4	-170.1	174.3	-179.6	175.7	0	110.5	Q192 K260	K187-Q192 VanDerWaalsContact CA-OE1 3.31Å; K187-K260 VanDerWaalsContact CE-C 3.42Å; K187-K260 WeakPolarHBondContact CE-O 3.43Å
188	G	92	Very high	94.1	Very high	25 Å²	25	62.5 Å²	62.5	26%	0.258	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	5.8	-177.1	0	0	0	0	0	115.3	A186 T258	A186-G188 PolarHBondContact O-N 3.38Å; G188-T258 VanDerWaalsContact CA-O 3.22Å; G188-T258 WeakPolarHBondContact CA-O 3.14Å
189	S	95.3	Very high	94.2	Very high	23 Å²	23	63.8 Å²	63.8	16%	0.161	31%	0.313	C	S	.	.			trans	-71.9	154.3	172.4	61.4	0	0	0	0	112.2	A186 E191 Q192 G193	A186-S189 VanDerWaalsContact O-CB 3.25Å; A186-S189 WeakPolarHBondContact O-CB 3.43Å; A186-S189 PolarHBondContact O-N 2.89Å; A186-S189 VanDerWaalsContact O-N 3.08Å; A186-S189 PolarHBondContact O-OG 3.49Å; S189-E191 WeakPolarHBondContact CB-OE2 3.44Å; S189-E191 PolarHBondContact O-N 3.46Å; S189-Q192 WeakPolarHBondContact O-CB 3.37Å; S189-Q192 PolarHBondContact O-N 3.47Å; S189-Q192 VanDerWaalsContact O-N 3.17Å; S189-Q192 WeakPolarHBondContact OG-CB 3.47Å; S189-Q192 PolarHBondContact OG-N 2.92Å; S189-G193 PolarHBondContact O-N 3.22Å
190	E	93.6	Very high	94.5	Very high	157 Å²	157	63.6 Å²	63.6	73%	0.734	32%	0.315	S	S	*	.	H	α-helix	trans	-61	-37.2	176.7	-67	-176.3	168.5	0	0	111.2	Q192 G193 R194	E190-Q192 VanDerWaalsContact C-N 3.33Å; E190-Q192 PolarHBondContact O-N 3Å; E190-G193 WeakPolarHBondContact O-CA 3.44Å; E190-G193 PolarHBondContact O-N 3.12Å; E190-R194 PolarHBondContact O-N 3.45Å
191	E	93.8	Very high	94.7	Very high	102 Å²	102	63.5 Å²	63.5	48%	0.477	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-38.8	176.1	-60.1	82.9	175.5	0	0	111.8	F185 S189 R194 V195	F185-E191 HydrophobicContact CB-CB 4.24Å; F185-E191 HydrophobicContact CD1-CB 3.6Å; F185-E191 HydrophobicContact CD1-CG 4.25Å; F185-E191 HydrophobicContact CD2-CB 3.72Å; F185-E191 HydrophobicContact CE1-CB 3.76Å; F185-E191 HydrophobicContact CE1-CG 4.15Å; F185-E191 HydrophobicContact CE2-CB 3.85Å; F185-E191 HydrophobicContact CG-CB 3.59Å; F185-E191 HydrophobicContact CZ-CB 3.89Å; F185-E191 HydrophobicContact CZ-CG 4.48Å; S189-E191 WeakPolarHBondContact CB-OE2 3.44Å; S189-E191 PolarHBondContact O-N 3.46Å; E191-R194 PolarHBondContact O-N 3.04Å; E191-V195 WeakPolarHBondContact O-CG2 3.41Å; E191-V195 PolarHBondContact O-N 3.29Å
192	Q	94.8	Very high	94.9	Very high	44 Å²	44	57.2 Å²	57.2	21%	0.206	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-43.3	171.4	-172.7	-176.8	41.3	0	0	111.1	F185 K187 S189 E190 R194 V195 L196 G261	F185-Q192 HydrophobicContact CB-CB 4.13Å; K187-Q192 VanDerWaalsContact CA-OE1 3.31Å; S189-Q192 WeakPolarHBondContact O-CB 3.37Å; S189-Q192 PolarHBondContact O-N 3.47Å; S189-Q192 VanDerWaalsContact O-N 3.17Å; S189-Q192 WeakPolarHBondContact OG-CB 3.47Å; S189-Q192 PolarHBondContact OG-N 2.92Å; E190-Q192 VanDerWaalsContact C-N 3.33Å; E190-Q192 PolarHBondContact O-N 3Å; Q192-R194 VanDerWaalsContact C-N 3.25Å; Q192-R194 PolarHBondContact O-N 3.48Å; Q192-V195 PolarHBondContact O-N 3.33Å; Q192-L196 HydrophobicContact CG-CD1 4.34Å; Q192-L196 WeakPolarHBondContact O-CG 3.37Å; Q192-L196 PolarHBondContact O-N 3.28Å; Q192-G261 VanDerWaalsContact OE1-CA 3.24Å
193	G	95.9	Very high	95.2	Very high	2 Å²	2	55 Å²	55	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-54.2	-44.4	175	0	0	0	0	0	112.1	S189 E190 L196 M197	S189-G193 PolarHBondContact O-N 3.22Å; E190-G193 WeakPolarHBondContact O-CA 3.44Å; E190-G193 PolarHBondContact O-N 3.12Å; G193-L196 PolarHBondContact O-N 2.94Å; G193-M197 WeakPolarHBondContact O-CB 3.42Å; G193-M197 PolarHBondContact O-N 3.47Å
194	R	95.3	Very high	95.6	Very high	68 Å²	68	51.4 Å²	51.4	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-40.7	177.4	-175	167.2	168.1	-143.6	-14.8	113.5	M107 Q108 E190 E191 Q192 L196 M197 N198	M107-R194 PolarHBondContact O-NH2 2.95Å; Q108-R194 VanDerWaalsContact CA-NH2 3.29Å; Q108-R194 PolarHBondContact O-NH1 3.33Å; E190-R194 PolarHBondContact O-N 3.45Å; E191-R194 PolarHBondContact O-N 3.04Å; Q192-R194 VanDerWaalsContact C-N 3.25Å; Q192-R194 PolarHBondContact O-N 3.48Å; R194-L196 VanDerWaalsContact C-N 3.33Å; R194-L196 PolarHBondContact O-N 3.46Å; R194-M197 WeakPolarHBondContact O-CB 3.4Å; R194-M197 PolarHBondContact O-N 3.33Å; R194-N198 VanDerWaalsContact O-CG 3.25Å; R194-N198 PolarHBondContact O-N 2.84Å
195	V	95.9	Very high	96.1	Very high	15 Å²	15	44.1 Å²	44.1	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-46.1	173	166	0	0	0	0	110.9	E180 K183 F185 E191 Q192 M197 N198 L199	E180-V195 HydrophobicContact CB-CG1 4.26Å; E180-V195 WeakPolarHBondContact O-CG1 3.5Å; K183-V195 HydrophobicContact CB-CG2 4.25Å; K183-V195 HydrophobicContact CD-CG2 4.07Å; F185-V195 HydrophobicContact CD2-CG2 3.75Å; F185-V195 HydrophobicContact CE2-CG2 3.55Å; E191-V195 WeakPolarHBondContact O-CG2 3.41Å; E191-V195 PolarHBondContact O-N 3.29Å; Q192-V195 PolarHBondContact O-N 3.33Å; V195-M197 VanDerWaalsContact C-N 3.33Å; V195-M197 PolarHBondContact O-N 3.01Å; V195-N198 PolarHBondContact O-N 2.83Å; V195-L199 HydrophobicContact CG1-CD1 4Å; V195-L199 WeakPolarHBondContact O-CG 3.41Å; V195-L199 PolarHBondContact O-N 2.84Å
196	L	97.1	Very high	96.4	Very high	54 Å²	54	40 Å²	40	28%	0.283	21%	0.208	S	C	.	.	H	α-helix	trans	-63.4	-39.9	178.2	-66.1	172.7	0	0	0	112	Q192 G193 R194 L199 Q200 G261 L263	Q192-L196 HydrophobicContact CG-CD1 4.34Å; Q192-L196 WeakPolarHBondContact O-CG 3.37Å; Q192-L196 PolarHBondContact O-N 3.28Å; G193-L196 PolarHBondContact O-N 2.94Å; R194-L196 VanDerWaalsContact C-N 3.33Å; R194-L196 PolarHBondContact O-N 3.46Å; L196-L199 PolarHBondContact O-N 3.35Å; L196-Q200 WeakPolarHBondContact O-CB 3.32Å; L196-Q200 PolarHBondContact O-N 3.04Å; L196-G261 WeakPolarHBondContact CD1-O 3.29Å; L196-L263 HydrophobicContact CB-CD1 3.72Å; L196-L263 HydrophobicContact CB-CD2 4.32Å; L196-L263 HydrophobicContact CB-CG 3.81Å; L196-L263 HydrophobicContact CD1-CG 4.16Å
197	M	97.8	Very high	96.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-49.9	175.2	-173.4	-155.1	84.7	0	0	110.9	T114 G193 R194 V195 L199 Q200 N201 V279 V281	T114-M197 HydrophobicContact CG2-CE 3.89Å; G193-M197 WeakPolarHBondContact O-CB 3.42Å; G193-M197 PolarHBondContact O-N 3.47Å; R194-M197 WeakPolarHBondContact O-CB 3.4Å; R194-M197 PolarHBondContact O-N 3.33Å; V195-M197 VanDerWaalsContact C-N 3.33Å; V195-M197 PolarHBondContact O-N 3.01Å; M197-L199 PolarHBondContact O-N 3.47Å; M197-Q200 PolarHBondContact O-N 2.92Å; M197-N201 WeakPolarHBondContact O-CB 3.33Å; M197-N201 VanDerWaalsContact O-CG 3.28Å; M197-N201 PolarHBondContact O-N 3.37Å; M197-N201 PolarHBondContact O-ND2 3.22Å; M197-V279 HydrophobicContact CB-CG2 4.46Å; M197-V279 HydrophobicContact CG-CG2 3.94Å; M197-V279 WeakPolarHBondContact CG-O 3.45Å; M197-V281 HydrophobicContact CB-CG1 4.1Å; M197-V281 HydrophobicContact CG-CG1 4.24Å; M197-V281 HydrophobicContact SD-CB 4.46Å; M197-V281 HydrophobicContact SD-CG1 4.28Å; M197-V281 HydrophobicContact SD-CG2 3.86Å
198	N	97.7	Very high	96.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-46	179.2	-70	-14.4	0	0	0	111.9	Y118 E180 R194 V195 N201 N202	Y118-N198 HydrophobicContact CD1-CB 3.89Å; Y118-N198 HydrophobicContact CE1-CB 3.64Å; Y118-N198 WeakPolarHBondContact CE2-OD1 3.42Å; Y118-N198 HydrophobicContact CG-CB 4.48Å; Y118-N198 VanDerWaalsContact CZ-ND2 3.32Å; Y118-N198 PolarHBondContact OH-ND2 2.94Å; E180-N198 HydrophobicContact CG-CB 3.99Å; E180-N198 PolarHBondContact OE1-ND2 3.01Å; E180-N198 PolarHBondContact OE2-ND2 3.49Å; R194-N198 VanDerWaalsContact O-CG 3.25Å; R194-N198 PolarHBondContact O-N 2.84Å; V195-N198 PolarHBondContact O-N 2.83Å; N198-N201 PolarHBondContact O-N 2.87Å; N198-N202 WeakPolarHBondContact O-CB 3.44Å; N198-N202 VanDerWaalsContact O-CG 3.26Å; N198-N202 PolarHBondContact O-N 3.24Å
199	L	98.1	Very high	97.2	Very high	37 Å²	37	32.4 Å²	32.4	19%	0.194	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-42.4	178.8	-70.5	171.9	0	0	0	112.5	D177 E180 R181 V195 L196 M197 E203	D177-L199 HydrophobicContact CB-CD2 3.55Å; E180-L199 HydrophobicContact CB-CD2 3.97Å; E180-L199 HydrophobicContact CB-CG 4.16Å; R181-L199 HydrophobicContact CG-CD2 4.35Å; V195-L199 HydrophobicContact CG1-CD1 4Å; V195-L199 WeakPolarHBondContact O-CG 3.41Å; V195-L199 PolarHBondContact O-N 2.84Å; L196-L199 PolarHBondContact O-N 3.35Å; M197-L199 PolarHBondContact O-N 3.47Å; L199-E203 WeakPolarHBondContact O-CB 3.49Å; L199-E203 PolarHBondContact O-N 3.08Å; L199-E203 VanDerWaalsContact O-N 3.08Å
200	Q	98.3	Very high	97.3	Very high	52 Å²	52	36.4 Å²	36.4	24%	0.243	17%	0.166	C	C	.	.	H	α-helix	trans	-62.3	-46.3	175.5	178	75	7.6	0	0	111.3	L196 M197 E203 A204 T274 V279	L196-Q200 WeakPolarHBondContact O-CB 3.32Å; L196-Q200 PolarHBondContact O-N 3.04Å; M197-Q200 PolarHBondContact O-N 2.92Å; Q200-E203 WeakPolarHBondContact O-CB 3.47Å; Q200-E203 PolarHBondContact O-N 2.95Å; Q200-A204 PolarHBondContact O-N 3.11Å; Q200-T274 PolarHBondContact NE2-O 2.84Å; Q200-V279 HydrophobicContact CB-CG2 3.91Å; Q200-V279 HydrophobicContact CG-CG1 4.27Å; Q200-V279 HydrophobicContact CG-CG2 3.66Å
201	N	98.8	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-37.7	-178	-68.9	-35.3	0	0	0	112.2	A115 A119 M197 N198 E203 A204 G205 L278 V279	A115-N201 VanDerWaalsContact CA-ND2 3.31Å; A115-N201 WeakPolarHBondContact CA-ND2 3.42Å; A115-N201 WeakPolarHBondContact CB-ND2 2.99Å; A119-N201 VanDerWaalsContact CA-O 3.25Å; A119-N201 WeakPolarHBondContact CA-O 3.46Å; A119-N201 VanDerWaalsContact CB-O 3.25Å; A119-N201 WeakPolarHBondContact CB-O 3.22Å; M197-N201 WeakPolarHBondContact O-CB 3.33Å; M197-N201 VanDerWaalsContact O-CG 3.28Å; M197-N201 PolarHBondContact O-N 3.37Å; M197-N201 PolarHBondContact O-ND2 3.22Å; N198-N201 PolarHBondContact O-N 2.87Å; N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 2.93Å; N201-A204 PolarHBondContact O-N 2.8Å; N201-G205 PolarHBondContact O-N 3.44Å; N201-L278 HydrophobicContact CB-CD2 4.27Å; N201-L278 VanDerWaalsContact OD1-CA 3.32Å; N201-L278 WeakPolarHBondContact OD1-CA 3.13Å; N201-V279 PolarHBondContact ND2-O 3.26Å; N201-V279 PolarHBondContact OD1-N 3.35Å; N201-V279 PolarHBondContact OD1-O 3.38Å
202	N	98.7	Very high	97.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-57.9	-44.7	170	-75.2	-17.9	0	0	0	111.5	Y118 A122 D177 N198 G205 R206	Y118-N202 VanDerWaalsContact CD1-OD1 3.3Å; Y118-N202 WeakPolarHBondContact CD1-OD1 3.25Å; Y118-N202 PolarHBondContact O-OD1 3.27Å; A122-N202 HydrophobicContact CB-CB 4.13Å; A122-N202 WeakPolarHBondContact CB-O 3.5Å; D177-N202 WeakPolarHBondContact OD1-CB 3.25Å; D177-N202 PolarHBondContact OD1-ND2 2.64Å; N198-N202 WeakPolarHBondContact O-CB 3.44Å; N198-N202 VanDerWaalsContact O-CG 3.26Å; N198-N202 PolarHBondContact O-N 3.24Å; N202-G205 PolarHBondContact O-N 3.29Å; N202-R206 WeakPolarHBondContact O-CG 3.42Å; N202-R206 PolarHBondContact O-N 3.46Å
203	E	98.8	Very high	97.8	Very high	26 Å²	26	31.3 Å²	31.3	12%	0.121	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-44.3	177.6	-178.7	70.4	175.5	0	0	111.9	Y169 L199 Q200 N201 G205 R206 R207 P275	Y169-E203 PolarHBondContact OH-OE1 3.19Å; Y169-E203 PolarHBondContact OH-OE2 3.07Å; Y169-E203 VanDerWaalsContact OH-OE2 3.06Å; L199-E203 WeakPolarHBondContact O-CB 3.49Å; L199-E203 PolarHBondContact O-N 3.08Å; L199-E203 VanDerWaalsContact O-N 3.08Å; Q200-E203 WeakPolarHBondContact O-CB 3.47Å; Q200-E203 PolarHBondContact O-N 2.95Å; N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 2.93Å; E203-G205 VanDerWaalsContact C-N 3.3Å; E203-G205 PolarHBondContact O-N 3.04Å; E203-R206 PolarHBondContact O-N 3.16Å; E203-R206 IonicContact OE2-CZ 2.9Å; E203-R206 IonicContact OE2-NE 2.8Å; E203-R206 PolarHBondContact OE2-NE 3.41Å; E203-R206 IonicContact OE2-NH2 2.9Å; E203-R206 PolarHBondContact OE2-NH2 3.16Å; E203-R207 HydrophobicContact CG-CG 4.46Å; E203-R207 WeakPolarHBondContact O-CB 3.24Å; E203-R207 WeakPolarHBondContact O-CG 3.4Å; E203-R207 PolarHBondContact O-N 3.27Å; E203-R207 IonicContact OE1-CZ 3Å; E203-R207 VanDerWaalsContact OE1-CZ 3.31Å; E203-R207 IonicContact OE1-NE 3.4Å; E203-R207 PolarHBondContact OE1-NE 3.12Å; E203-R207 IonicContact OE1-NH2 3.6Å; E203-R207 PolarHBondContact OE1-NH2 3.14Å; E203-P275 HydrophobicContact CG-CB 4.46Å
204	A	98.8	Very high	97.7	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-58.5	-43	175.5	0	0	0	0	0	111.7	Q200 N201 R207 A208 P275 L278	Q200-A204 PolarHBondContact O-N 3.11Å; N201-A204 PolarHBondContact O-N 2.8Å; A204-R207 PolarHBondContact O-N 2.99Å; A204-A208 WeakPolarHBondContact O-CB 3.23Å; A204-A208 PolarHBondContact O-N 3.27Å; A204-P275 VanDerWaalsContact CA-O 3.25Å; A204-P275 WeakPolarHBondContact CA-O 3.48Å; A204-P275 PolarHBondContact N-O 2.65Å; A204-L278 HydrophobicContact CB-CD2 3.76Å
205	G	98.8	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-51	173.7	0	0	0	0	0	113.7	A119 A123 N201 N202 E203 R207 A208 V209	A119-G205 VanDerWaalsContact O-CA 3.22Å; A119-G205 WeakPolarHBondContact O-CA 3.47Å; A123-G205 WeakPolarHBondContact CB-O 3.42Å; N201-G205 PolarHBondContact O-N 3.44Å; N202-G205 PolarHBondContact O-N 3.29Å; E203-G205 VanDerWaalsContact C-N 3.3Å; E203-G205 PolarHBondContact O-N 3.04Å; G205-R207 VanDerWaalsContact C-N 3.34Å; G205-R207 PolarHBondContact O-N 3.49Å; G205-A208 PolarHBondContact O-N 2.84Å; G205-V209 PolarHBondContact O-N 3.39Å
206	R	98.8	Very high	97.7	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-42.3	178.2	-66.1	-174.2	-72.2	-99.5	3.5	111.9	A122 V126 Y169 A172 D177 N202 E203 V209 Y210	A122-R206 HydrophobicContact CB-CG 4.18Å; V126-R206 HydrophobicContact CG2-CB 4.05Å; V126-R206 HydrophobicContact CG2-CG 3.66Å; Y169-R206 HydrophobicContact CD2-CB 3.71Å; Y169-R206 HydrophobicContact CE2-CB 3.48Å; Y169-R206 VanDerWaalsContact CE2-CB 3.48Å; Y169-R206 HydrophobicContact CG-CB 4.38Å; A172-R206 HydrophobicContact CB-CG 4.39Å; D177-R206 IonicContact OD1-CZ 3.9Å; D177-R206 IonicContact OD1-NH1 2.68Å; D177-R206 PolarHBondContact OD1-NH1 2.68Å; D177-R206 IonicContact OD1-NH2 2.8Å; D177-R206 IonicContact OD2-CZ 2.85Å; D177-R206 IonicContact OD2-NH1 3.44Å; D177-R206 PolarHBondContact OD2-NH1 3.17Å; D177-R206 IonicContact OD2-NH2 3.49Å; D177-R206 PolarHBondContact OD2-NH2 3.41Å; N202-R206 WeakPolarHBondContact O-CG 3.42Å; N202-R206 PolarHBondContact O-N 3.46Å; E203-R206 PolarHBondContact O-N 3.16Å; E203-R206 IonicContact OE2-CZ 2.9Å; E203-R206 IonicContact OE2-NE 2.8Å; E203-R206 PolarHBondContact OE2-NE 3.41Å; E203-R206 IonicContact OE2-NH2 2.9Å; E203-R206 PolarHBondContact OE2-NH2 3.16Å; R206-V209 PolarHBondContact O-N 2.68Å; R206-Y210 PolarHBondContact O-N 2.76Å
207	R	98.6	Very high	97.6	Very high	81 Å²	81	35.6 Å²	35.6	31%	0.306	18%	0.179	S	C	.	.	H	α-helix	trans	-65.4	-37.7	178.3	-75	179.9	179.5	-98.9	-8.9	112.7	Y169 E203 A204 G205 V209 Y210 K211 E276	Y169-R207 HydrophobicContact CE2-CG 4.11Å; Y169-R207 WeakPolarHBondContact OH-CG 3.36Å; E203-R207 HydrophobicContact CG-CG 4.46Å; E203-R207 WeakPolarHBondContact O-CB 3.24Å; E203-R207 WeakPolarHBondContact O-CG 3.4Å; E203-R207 PolarHBondContact O-N 3.27Å; E203-R207 IonicContact OE1-CZ 3Å; E203-R207 VanDerWaalsContact OE1-CZ 3.31Å; E203-R207 IonicContact OE1-NE 3.4Å; E203-R207 PolarHBondContact OE1-NE 3.12Å; E203-R207 IonicContact OE1-NH2 3.6Å; E203-R207 PolarHBondContact OE1-NH2 3.14Å; A204-R207 PolarHBondContact O-N 2.99Å; G205-R207 VanDerWaalsContact C-N 3.34Å; G205-R207 PolarHBondContact O-N 3.49Å; R207-V209 VanDerWaalsContact C-N 3.32Å; R207-V209 PolarHBondContact O-N 3.28Å; R207-Y210 PolarHBondContact O-N 2.85Å; R207-K211 WeakPolarHBondContact O-CB 3.3Å; R207-K211 PolarHBondContact O-N 3.34Å; R207-E276 HydrophobicContact CB-CG 4.1Å
208	A	98.6	Very high	97.5	Very high	11 Å²	11	41.6 Å²	41.6	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-47.5	175.9	0	0	0	0	0	110.8	A204 G205 M212 V241 L245	A204-A208 WeakPolarHBondContact O-CB 3.23Å; A204-A208 PolarHBondContact O-N 3.27Å; G205-A208 PolarHBondContact O-N 2.84Å; A208-M212 VanDerWaalsContact O-CB 3.25Å; A208-M212 WeakPolarHBondContact O-CB 3.46Å; A208-M212 WeakPolarHBondContact O-CG 3.4Å; A208-M212 PolarHBondContact O-N 2.96Å; A208-M212 VanDerWaalsContact O-N 3.09Å; A208-V241 HydrophobicContact CB-CG1 4.21Å; A208-L245 HydrophobicContact CB-CD2 3.8Å; A208-L245 HydrophobicContact CB-CG 4.16Å
209	V	98.6	Very high	97.3	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-45.5	176.7	-178.7	0	0	0	0	111.7	A123 V126 V165 G205 R206 R207 K211 M212 A213 L235 V241	A123-V209 HydrophobicContact CB-CG2 3.55Å; A123-V209 WeakPolarHBondContact O-CG2 3.39Å; V126-V209 HydrophobicContact CB-CB 4.32Å; V126-V209 HydrophobicContact CB-CG1 4.23Å; V126-V209 HydrophobicContact CB-CG2 4.43Å; V126-V209 HydrophobicContact CG1-CB 3.97Å; V126-V209 HydrophobicContact CG1-CG1 3.63Å; V165-V209 HydrophobicContact CG1-CG1 4.39Å; G205-V209 PolarHBondContact O-N 3.39Å; R206-V209 PolarHBondContact O-N 2.68Å; R207-V209 VanDerWaalsContact C-N 3.32Å; R207-V209 PolarHBondContact O-N 3.28Å; V209-K211 PolarHBondContact O-N 2.67Å; V209-M212 PolarHBondContact O-N 3Å; V209-A213 PolarHBondContact O-N 3.32Å; V209-L235 HydrophobicContact CG1-CD2 3.45Å; V209-L235 VanDerWaalsContact CG1-CD2 3.45Å; V209-V241 HydrophobicContact CG2-CG1 3.88Å; V209-V241 HydrophobicContact CG2-CG2 4.41Å
210	Y	97.8	Very high	97	Very high	107 Å²	107	46.2 Å²	46.2	42%	0.42	23%	0.23	S	C	.	.	H	α-helix	trans	-59.9	-47.9	-178.9	-170.6	-89.1	0	0	0	112.6	V165 E166 Y169 R206 R207	V165-Y210 HydrophobicContact CG1-CD2 3.96Å; E166-Y210 VanDerWaalsContact OE2-CE2 3.25Å; E166-Y210 WeakPolarHBondContact OE2-CE2 3.45Å; E166-Y210 PolarHBondContact OE2-OH 3.09Å; Y169-Y210 HydrophobicContact CD2-CD2 4.13Å; Y169-Y210 HydrophobicContact CD2-CG 4.35Å; R206-Y210 PolarHBondContact O-N 2.76Å; R207-Y210 PolarHBondContact O-N 2.85Å
211	K	97.1	Very high	96.6	Very high	128 Å²	128	44.5 Å²	44.5	56%	0.557	23%	0.226	S	C	*	.	H	α-helix	trans	-75.7	-24.4	-177	-74.2	-166.2	165	-162	0	113.9	R207 V209 E276	R207-K211 WeakPolarHBondContact O-CB 3.3Å; R207-K211 PolarHBondContact O-N 3.34Å; V209-K211 PolarHBondContact O-N 2.67Å; K211-E276 WeakPolarHBondContact CE-OE1 2.95Å; K211-E276 VanDerWaalsContact NZ-CD 3.3Å; K211-E276 IonicContact NZ-OE1 2.92Å; K211-E276 PolarHBondContact NZ-OE1 2.94Å; K211-E276 IonicContact NZ-OE2 3.3Å; K211-E276 PolarHBondContact NZ-OE2 3.3Å
212	M	97.4	Very high	96.3	Very high	52 Å²	52	50.4 Å²	50.4	26%	0.256	26%	0.262	S	S	.	.	H	α-helix	trans	-89.2	-6.7	178.2	-66.3	-174	73.5	0	0	113	A208 V209 A236 K240 V241 R244	A208-M212 VanDerWaalsContact O-CB 3.25Å; A208-M212 WeakPolarHBondContact O-CB 3.46Å; A208-M212 WeakPolarHBondContact O-CG 3.4Å; A208-M212 PolarHBondContact O-N 2.96Å; A208-M212 VanDerWaalsContact O-N 3.09Å; V209-M212 PolarHBondContact O-N 3Å; M212-A236 HydrophobicContact CB-CB 4.03Å; M212-A236 VanDerWaalsContact O-CB 3.29Å; M212-A236 WeakPolarHBondContact O-CB 3.25Å; M212-K240 HydrophobicContact CE-CB 3.61Å; M212-K240 WeakPolarHBondContact CE-O 3.47Å; M212-V241 HydrophobicContact SD-CB 4.45Å; M212-V241 HydrophobicContact SD-CG2 4.07Å; M212-R244 HydrophobicContact CE-CB 4.26Å; M212-R244 HydrophobicContact SD-CB 3.59Å; M212-R244 VanDerWaalsContact SD-CB 3.59Å; M212-R244 HydrophobicContact SD-CG 3.84Å
213	A	96.5	Very high	95.8	Very high	17 Å²	17	56.6 Å²	56.6	14%	0.14	31%	0.305	C	S	.	.			trans	-64.4	134.6	168.5	0	0	0	0	0	109.6	V165 V209 L233 Q234	V165-A213 HydrophobicContact CG2-CB 3.97Å; V209-A213 PolarHBondContact O-N 3.32Å; A213-L233 HydrophobicContact CB-CD1 4Å; A213-L233 HydrophobicContact CB-CG 4.32Å; A213-Q234 WeakPolarHBondContact CA-O 3.44Å
214	D	95.1	Very high	95.1	Very high	114 Å²	114	58.2 Å²	58.2	61%	0.61	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	168.7	-171.1	-162.8	9.2	0	0	0	110.9	A216 Q234	D214-A216 PolarHBondContact O-N 3.02Å; D214-Q234 PolarHBondContact N-O 2.93Å; D214-Q234 PolarHBondContact O-N 3.34Å
215	V	95.8	Very high	94.8	Very high	40 Å²	40	60.6 Å²	60.6	24%	0.242	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	118	178.2	-179.3	0	0	0	0	110.1	P149 L152 W158 C231 W232	P149-V215 HydrophobicContact CG-CG2 3.78Å; L152-V215 HydrophobicContact CD1-CG1 3.86Å; W158-V215 HydrophobicContact CH2-CG2 4.5Å; W158-V215 HydrophobicContact CZ3-CG1 4.09Å; W158-V215 HydrophobicContact CZ3-CG2 4.03Å; V215-C231 HydrophobicContact CG1-CB 3.57Å; V215-W232 WeakPolarHBondContact CA-O 3.46Å
216	A	95.6	Very high	94.5	Very high	24 Å²	24	64.2 Å²	64.2	20%	0.198	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.4	167.3	0	0	0	0	0	110	D214 C231 W232 Q234	D214-A216 PolarHBondContact O-N 3.02Å; A216-C231 CarbonylContact O-C 3.53Å; A216-C231 WeakPolarHBondContact O-CA 3.41Å; A216-C231 WeakPolarHBondContact O-CB 3.22Å; A216-W232 PolarHBondContact N-O 2.98Å; A216-W232 PolarHBondContact O-N 3.39Å; A216-Q234 HydrophobicContact CB-CB 3.62Å; A216-Q234 HydrophobicContact CB-CG 4.26Å
217	C	95	Very high	94.1	Very high	51 Å²	51	68.9 Å²	68.9	35%	0.345	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.6	-177.3	-58.9	0	0	0	0	111.9	T230 C231	C217-T230 CarbonylContact C-O 3.42Å; C217-T230 WeakPolarHBondContact CA-O 3.35Å; C217-C231 HydrophobicContact CB-CB 4.04Å; C217-C231 WeakPolarHBondContact CB-SG 3.48Å; C217-C231 WeakPolarHBondContact SG-CB 3.41Å; C217-C231 CovalentContact SG-SG 2.04Å; C217-C231 PolarHBondContact SG-SG 3.38Å
218	K	94.4	Very high	93.7	Very high	125 Å²	125	69 Å²	69	54%	0.543	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.3	169.3	-179.7	175.3	-176.8	179.1	0	110.9	H220 K229 T230 W232	K218-H220 PolarHBondContact O-CD2 3.46Å; K218-K229 WeakPolarHBondContact O-CA 3.34Å; K218-K229 VanDerWaalsContact O-CB 3.27Å; K218-K229 WeakPolarHBondContact O-CB 3.41Å; K218-T230 PolarHBondContact N-O 3Å; K218-T230 PolarHBondContact O-N 3.27Å; K218-W232 HydrophobicContact CB-CH2 3.58Å; K218-W232 HydrophobicContact CB-CZ3 3.91Å
219	C	94.5	Very high	93.5	Very high	42 Å²	42	70.1 Å²	70.1	28%	0.284	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	141.5	179	-62.6	0	0	0	0	111.6	C226	C219-C226 HydrophobicContact CB-CB 3.83Å; C219-C226 WeakPolarHBondContact CB-SG 3.4Å; C219-C226 WeakPolarHBondContact SG-CB 3.49Å; C219-C226 CovalentContact SG-SG 2.03Å; C219-C226 PolarHBondContact SG-SG 3.32Å
220	H	90.9	Very high	93.3	Very high	94 Å²	94	71.3 Å²	71.3	44%	0.435	42%	0.42	S	S	.	.			trans	-127.6	17.2	-171.1	-65.9	-71.2	0	0	0	113.8	K218 L228 T230	K218-H220 PolarHBondContact O-CD2 3.46Å; H220-L228 HydrophobicContact CB-CB 4.24Å; H220-L228 HydrophobicContact CB-CD2 4.15Å; H220-L228 HydrophobicContact CB-CG 4.34Å; H220-L228 PolarHBondContact N-O 2.94Å; H220-T230 PolarHBondContact NE2-OG1 3.39Å
221	G	89.7	Confident	93.3	Very high	16 Å²	16	66.2 Å²	66.2	17%	0.165	40%	0.4	C	S	.	.	S	Bend	trans	-85.4	165.6	-179.2	0	0	0	0	0	114.2	S223 G224 S225 S227	G221-S223 PolarHBondContact O-N 3.3Å; G221-G224 PolarHBondContact O-N 3.42Å; G221-S225 VanDerWaalsContact C-OG 3.27Å; G221-S225 WeakPolarHBondContact CA-O 3.47Å; G221-S225 VanDerWaalsContact CA-OG 3.31Å; G221-S225 WeakPolarHBondContact CA-OG 3.21Å; G221-S225 PolarHBondContact N-O 3.19Å; G221-S227 WeakPolarHBondContact CA-OG 3.48Å
222	V	93.1	Very high	93.3	Very high	123 Å²	123	62.5 Å²	62.5	75%	0.745	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-54.1	135	176.1	-175.5	0	0	0	0	109.6	G224 S225	V222-G224 PolarHBondContact O-N 2.92Å; V222-S225 PolarHBondContact N-OG 3.04Å; V222-S225 WeakPolarHBondContact O-CB 3.21Å; V222-S225 PolarHBondContact O-N 2.9Å; V222-S225 VanDerWaalsContact O-N 3.11Å; V222-S225 PolarHBondContact O-OG 3.4Å
223	S	88.1	Confident	93.2	Very high	131 Å²	131	61.2 Å²	61.2	92%	0.916	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	56.2	27.3	-177.8	-53.2	0	0	0	0	114.6	G221	G221-S223 PolarHBondContact O-N 3.3Å
224	G	84.6	Confident	93.3	Very high	61 Å²	61	63.7 Å²	63.7	63%	0.629	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	81.9	12.6	-179.8	0	0	0	0	0	114.5	G221 V222	G221-G224 PolarHBondContact O-N 3.42Å; V222-G224 PolarHBondContact O-N 2.92Å
225	S	91.9	Very high	93.4	Very high	52 Å²	52	58.6 Å²	58.6	36%	0.364	36%	0.358	S	S	.	.			trans	-64.1	155.2	174.1	56.8	0	0	0	0	112.2	G221 V222	G221-S225 VanDerWaalsContact C-OG 3.27Å; G221-S225 WeakPolarHBondContact CA-O 3.47Å; G221-S225 VanDerWaalsContact CA-OG 3.31Å; G221-S225 WeakPolarHBondContact CA-OG 3.21Å; G221-S225 PolarHBondContact N-O 3.19Å; V222-S225 PolarHBondContact N-OG 3.04Å; V222-S225 WeakPolarHBondContact O-CB 3.21Å; V222-S225 PolarHBondContact O-N 2.9Å; V222-S225 VanDerWaalsContact O-N 3.11Å; V222-S225 PolarHBondContact O-OG 3.4Å
226	C	91.9	Very high	93.5	Very high	76 Å²	76	57.5 Å²	57.5	51%	0.514	35%	0.353	S	S	.	.	S	Bend	trans	-97.3	29.9	178.7	-64.5	0	0	0	0	113.2	C219 L228	C219-C226 HydrophobicContact CB-CB 3.83Å; C219-C226 WeakPolarHBondContact CB-SG 3.4Å; C219-C226 WeakPolarHBondContact SG-CB 3.49Å; C219-C226 CovalentContact SG-SG 2.03Å; C219-C226 PolarHBondContact SG-SG 3.32Å; C226-L228 PolarHBondContact O-N 3.47Å
227	S	90.6	Very high	93.6	Very high	100 Å²	100	62.7 Å²	62.7	70%	0.699	37%	0.373	S	S	*	.	S	Bend	trans	-62.4	-31.2	176.5	54.1	0	0	0	0	112.7	G221	G221-S227 WeakPolarHBondContact CA-OG 3.48Å
228	L	91.3	Very high	93.8	Very high	83 Å²	83	61.4 Å²	61.4	44%	0.435	36%	0.362	S	S	.	.	S	Bend	trans	-124.1	137.7	166.4	-175.5	68.8	0	0	0	108.4	L157 H220 C226	L157-L228 HydrophobicContact CD1-CD1 3.72Å; L157-L228 HydrophobicContact CD1-CG 4.42Å; L157-L228 HydrophobicContact CG-CD1 4.21Å; H220-L228 HydrophobicContact CB-CB 4.24Å; H220-L228 HydrophobicContact CB-CD2 4.15Å; H220-L228 HydrophobicContact CB-CG 4.34Å; H220-L228 PolarHBondContact N-O 2.94Å; C226-L228 PolarHBondContact O-N 3.47Å
229	K	93.8	Very high	94	Very high	35 Å²	35	60 Å²	60	15%	0.152	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	147.1	171.2	61.5	-175.5	170.3	176	0	112.8	W156 L157 K218	W156-K229 HydrophobicContact CB-CG 4.37Å; W156-K229 HydrophobicContact CD2-CD 4.15Å; W156-K229 VanDerWaalsContact CD2-NZ 3.31Å; W156-K229 HydrophobicContact CE3-CD 4.43Å; W156-K229 HydrophobicContact CG-CD 4.24Å; W156-K229 HydrophobicContact CG-CG 4.21Å; W156-K229 VanDerWaalsContact CH2-NZ 3.28Å; W156-K229 VanDerWaalsContact NE1-NZ 3.14Å; L157-K229 PolarHBondContact N-O 3.49Å; K218-K229 WeakPolarHBondContact O-CA 3.34Å; K218-K229 VanDerWaalsContact O-CB 3.27Å; K218-K229 WeakPolarHBondContact O-CB 3.41Å
230	T	94.8	Very high	94.2	Very high	27 Å²	27	63.5 Å²	63.5	17%	0.166	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.4	179.8	-53.8	0	0	0	0	108.4	L157 C217 K218 H220 W232	L157-T230 HydrophobicContact CB-CG2 4.49Å; L157-T230 CarbonylContact O-C 3.54Å; L157-T230 WeakPolarHBondContact O-CA 3.47Å; C217-T230 CarbonylContact C-O 3.42Å; C217-T230 WeakPolarHBondContact CA-O 3.35Å; K218-T230 PolarHBondContact N-O 3Å; K218-T230 PolarHBondContact O-N 3.27Å; H220-T230 PolarHBondContact NE2-OG1 3.39Å; T230-W232 WeakPolarHBondContact O-CZ3 3.36Å
231	C	96.8	Very high	94.5	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149	-176.1	-50.7	0	0	0	0	111.6	L152 L157 W158 G159 V215 A216 C217	L152-C231 HydrophobicContact CD2-CB 4.45Å; L157-C231 PolarHBondContact O-N 3Å; W158-C231 WeakPolarHBondContact CA-O 3.29Å; W158-C231 HydrophobicContact CE3-CB 4.34Å; G159-C231 PolarHBondContact N-O 3.2Å; G159-C231 CarbonylContact O-C 3.54Å; V215-C231 HydrophobicContact CG1-CB 3.57Å; A216-C231 CarbonylContact O-C 3.53Å; A216-C231 WeakPolarHBondContact O-CA 3.41Å; A216-C231 WeakPolarHBondContact O-CB 3.22Å; C217-C231 HydrophobicContact CB-CB 4.04Å; C217-C231 WeakPolarHBondContact CB-SG 3.48Å; C217-C231 WeakPolarHBondContact SG-CB 3.41Å; C217-C231 CovalentContact SG-SG 2.04Å; C217-C231 PolarHBondContact SG-SG 3.38Å
232	W	96.8	Very high	94.9	Very high	49 Å²	49	58.3 Å²	58.3	19%	0.186	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	165.7	178.2	53.1	88.1	0	0	0	110.5	G159 V215 A216 K218 T230 Q234	G159-W232 WeakPolarHBondContact O-CB 3.13Å; V215-W232 WeakPolarHBondContact CA-O 3.46Å; A216-W232 PolarHBondContact N-O 2.98Å; A216-W232 PolarHBondContact O-N 3.39Å; K218-W232 HydrophobicContact CB-CH2 3.58Å; K218-W232 HydrophobicContact CB-CZ3 3.91Å; T230-W232 WeakPolarHBondContact O-CZ3 3.36Å; W232-Q234 VanDerWaalsContact NE1-OE1 3.09Å
233	L	96.7	Very high	95.2	Very high	25 Å²	25	55.7 Å²	55.7	13%	0.131	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.4	170.1	-173.3	69.7	0	0	0	109.9	T146 W158 G162 D163 V165 A213	T146-L233 HydrophobicContact CG2-CD2 4.39Å; W158-L233 HydrophobicContact CH2-CB 3.99Å; W158-L233 VanDerWaalsContact CH2-N 3.26Å; W158-L233 HydrophobicContact CZ2-CB 4.34Å; G162-L233 CarbonylContact C-O 3.53Å; G162-L233 WeakPolarHBondContact CA-O 3.25Å; D163-L233 PolarHBondContact N-O 3.43Å; V165-L233 HydrophobicContact CG2-CD2 4.01Å; A213-L233 HydrophobicContact CB-CD1 4Å; A213-L233 HydrophobicContact CB-CG 4.32Å
234	Q	97.3	Very high	95.7	Very high	69 Å²	69	53.9 Å²	53.9	32%	0.322	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.3	178.8	-173.6	168.6	-35.5	0	0	110.7	D163 A213 D214 A216 W232	D163-Q234 WeakPolarHBondContact OD2-CA 3.47Å; A213-Q234 WeakPolarHBondContact CA-O 3.44Å; D214-Q234 PolarHBondContact N-O 2.93Å; D214-Q234 PolarHBondContact O-N 3.34Å; A216-Q234 HydrophobicContact CB-CB 3.62Å; A216-Q234 HydrophobicContact CB-CG 4.26Å; W232-Q234 VanDerWaalsContact NE1-OE1 3.09Å
235	L	97.9	Very high	96.4	Very high	7 Å²	7	51 Å²	51	4%	0.037	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-62.5	139.1	171.7	-69.2	162	0	0	0	110.4	N127 R131 D163 V165 V209	N127-L235 WeakPolarHBondContact O-CD1 3.49Å; R131-L235 HydrophobicContact CB-CD1 4.33Å; D163-L235 HydrophobicContact CB-CD1 3.91Å; D163-L235 HydrophobicContact CB-CG 3.7Å; D163-L235 PolarHBondContact OD2-N 3.28Å; V165-L235 HydrophobicContact CG1-CD2 4.14Å; V165-L235 HydrophobicContact CG2-CD2 3.71Å; V165-L235 HydrophobicContact CG2-CG 4.21Å; V209-L235 HydrophobicContact CG1-CD2 3.45Å; V209-L235 VanDerWaalsContact CG1-CD2 3.45Å
236	A	97.9	Very high	96.7	Very high	18 Å²	18	49.4 Å²	49.4	15%	0.149	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-58.6	157.3	164.8	0	0	0	0	0	111.5	M212 F238	M212-A236 HydrophobicContact CB-CB 4.03Å; M212-A236 VanDerWaalsContact O-CB 3.29Å; M212-A236 WeakPolarHBondContact O-CB 3.25Å; A236-F238 PolarHBondContact O-N 3.44Å
237	E	97.7	Very high	97	Very high	132 Å²	132	50.9 Å²	50.9	62%	0.617	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-55.4	133.5	166.2	-65.4	-177	156.9	0	0	110	R239 K240 V241	E237-R239 PolarHBondContact O-N 3.33Å; E237-R239 VanDerWaalsContact O-N 3.11Å; E237-K240 HydrophobicContact CB-CG 4.46Å; E237-K240 WeakPolarHBondContact O-CB 3.41Å; E237-K240 PolarHBondContact O-N 2.8Å; E237-V241 PolarHBondContact O-N 3.11Å
238	F	98.4	Very high	97.4	Very high	24 Å²	24	47.5 Å²	47.5	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-25.7	-173.9	-162.6	-103.9	0	0	0	112.9	T78 E82 V120 A123 N127 A236 K240 V241 G242	T78-F238 HydrophobicContact CG2-CB 4.44Å; T78-F238 HydrophobicContact CG2-CD1 3.5Å; T78-F238 VanDerWaalsContact CG2-CD1 3.5Å; T78-F238 HydrophobicContact CG2-CD2 4.33Å; T78-F238 HydrophobicContact CG2-CE1 3.7Å; T78-F238 HydrophobicContact CG2-CG 3.83Å; T78-F238 HydrophobicContact CG2-CZ 4.22Å; E82-F238 HydrophobicContact CB-CD1 3.81Å; E82-F238 HydrophobicContact CB-CE1 3.57Å; E82-F238 HydrophobicContact CG-CD1 3.89Å; E82-F238 HydrophobicContact CG-CE1 3.86Å; V120-F238 HydrophobicContact CG2-CE1 4.21Å; V120-F238 HydrophobicContact CG2-CZ 4.23Å; A123-F238 HydrophobicContact CB-CE2 4.18Å; A123-F238 HydrophobicContact CB-CZ 4.31Å; N127-F238 HydrophobicContact CB-CD2 3.85Å; N127-F238 HydrophobicContact CB-CE2 3.95Å; A236-F238 PolarHBondContact O-N 3.44Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.08Å; F238-V241 HydrophobicContact CD2-CB 4.45Å; F238-V241 WeakPolarHBondContact O-CB 3.45Å; F238-V241 PolarHBondContact O-N 3.45Å; F238-G242 PolarHBondContact O-N 2.84Å
239	R	98.4	Very high	97.7	Very high	97 Å²	97	44.2 Å²	44.2	37%	0.366	20%	0.201	S	C	.	.	H	α-helix	trans	-57	-45.5	171.3	179.7	51.1	48.6	75	5.4	112	E82 H85 E237 V241 G242 D243	E82-R239 VanDerWaalsContact CD-NE 3.27Å; E82-R239 VanDerWaalsContact OE1-CD 3.28Å; E82-R239 WeakPolarHBondContact OE1-CD 3.33Å; E82-R239 IonicContact OE1-CZ 3.86Å; E82-R239 IonicContact OE1-NE 3.37Å; E82-R239 PolarHBondContact OE1-NE 2.92Å; E82-R239 IonicContact OE2-CZ 2.99Å; E82-R239 IonicContact OE2-NE 3.88Å; E82-R239 PolarHBondContact OE2-NE 3Å; E82-R239 IonicContact OE2-NH2 3.82Å; E82-R239 PolarHBondContact OE2-NH2 3.4Å; H85-R239 PolarHBondContact CD2-NE 2.92Å; H85-R239 VanDerWaalsContact CD2-NE 3.26Å; H85-R239 PolarHBondContact CD2-NH1 2.91Å; H85-R239 PolarHBondContact CD2-NH2 2.67Å; H85-R239 PolarHBondContact CE1-NH1 2.99Å; H85-R239 VanDerWaalsContact CG-CZ 3.44Å; H85-R239 VanDerWaalsContact CG-NH2 3.28Å; H85-R239 PolarHBondContact NE2-NH1 3.39Å; E237-R239 PolarHBondContact O-N 3.33Å; E237-R239 VanDerWaalsContact O-N 3.11Å; R239-V241 VanDerWaalsContact C-N 3.28Å; R239-V241 PolarHBondContact O-N 2.74Å; R239-G242 CarbonylContact O-C 3.34Å; R239-G242 WeakPolarHBondContact O-CA 3.14Å; R239-G242 PolarHBondContact O-N 3.47Å; R239-D243 PolarHBondContact O-N 3.29Å
240	K	98.5	Very high	97.8	Very high	114 Å²	114	46.2 Å²	46.2	50%	0.496	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-37.4	177.8	-64	-178	176.8	-179.3	0	111.6	M212 E237 F238 D243 R244	M212-K240 HydrophobicContact CE-CB 3.61Å; M212-K240 WeakPolarHBondContact CE-O 3.47Å; E237-K240 HydrophobicContact CB-CG 4.46Å; E237-K240 WeakPolarHBondContact O-CB 3.41Å; E237-K240 PolarHBondContact O-N 2.8Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.08Å; K240-D243 PolarHBondContact O-N 3.02Å; K240-R244 WeakPolarHBondContact O-CB 3.38Å; K240-R244 PolarHBondContact O-N 3.49Å
241	V	98.7	Very high	97.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-43.7	173.5	179.4	0	0	0	0	110.7	A123 A208 V209 M212 E237 F238 R239 R244 L245	A123-V241 HydrophobicContact CB-CG1 4.12Å; A208-V241 HydrophobicContact CB-CG1 4.21Å; V209-V241 HydrophobicContact CG2-CG1 3.88Å; V209-V241 HydrophobicContact CG2-CG2 4.41Å; M212-V241 HydrophobicContact SD-CB 4.45Å; M212-V241 HydrophobicContact SD-CG2 4.07Å; E237-V241 PolarHBondContact O-N 3.11Å; F238-V241 HydrophobicContact CD2-CB 4.45Å; F238-V241 WeakPolarHBondContact O-CB 3.45Å; F238-V241 PolarHBondContact O-N 3.45Å; R239-V241 VanDerWaalsContact C-N 3.28Å; R239-V241 PolarHBondContact O-N 2.74Å; V241-R244 PolarHBondContact O-N 3.29Å; V241-L245 HydrophobicContact CG1-CD1 4.2Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CG 3.48Å; V241-L245 PolarHBondContact O-N 3Å
242	G	98.6	Very high	98	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.9	-47	174.1	0	0	0	0	0	112.5	F238 R239 R244 L245 K246	F238-G242 PolarHBondContact O-N 2.84Å; R239-G242 CarbonylContact O-C 3.34Å; R239-G242 WeakPolarHBondContact O-CA 3.14Å; R239-G242 PolarHBondContact O-N 3.47Å; G242-R244 PolarHBondContact O-N 3.35Å; G242-L245 PolarHBondContact O-N 2.88Å; G242-K246 VanDerWaalsContact O-CB 3.24Å; G242-K246 WeakPolarHBondContact O-CB 3.4Å; G242-K246 PolarHBondContact O-N 2.98Å
243	D	98.7	Very high	98	Very high	68 Å²	68	47.8 Å²	47.8	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-46.6	177.3	-61.2	-29.5	0	0	0	110.6	Q86 R239 K240 L245 K246 E247	Q86-D243 PolarHBondContact NE2-OD1 3.07Å; R239-D243 PolarHBondContact O-N 3.29Å; K240-D243 PolarHBondContact O-N 3.02Å; D243-L245 PolarHBondContact O-N 2.8Å; D243-K246 WeakPolarHBondContact O-CA 3.43Å; D243-K246 WeakPolarHBondContact O-CB 3.28Å; D243-K246 PolarHBondContact O-N 2.77Å; D243-E247 PolarHBondContact O-N 3.33Å
244	R	98.6	Very high	98.1	Very high	93 Å²	93	48 Å²	48	35%	0.351	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-44.5	176.7	179.5	55.8	172.9	-179.2	-5.1	112.6	M212 K240 V241 G242 K246 E247 K248	M212-R244 HydrophobicContact CE-CB 4.26Å; M212-R244 HydrophobicContact SD-CB 3.59Å; M212-R244 VanDerWaalsContact SD-CB 3.59Å; M212-R244 HydrophobicContact SD-CG 3.84Å; K240-R244 WeakPolarHBondContact O-CB 3.38Å; K240-R244 PolarHBondContact O-N 3.49Å; V241-R244 PolarHBondContact O-N 3.29Å; G242-R244 PolarHBondContact O-N 3.35Å; R244-K246 PolarHBondContact O-N 3.18Å; R244-E247 WeakPolarHBondContact CD-OE2 3.2Å; R244-E247 IonicContact CZ-OE2 2.57Å; R244-E247 IonicContact NH1-OE2 3.22Å; R244-E247 PolarHBondContact NH1-OE2 3.45Å; R244-E247 WeakPolarHBondContact O-CB 3.41Å; R244-E247 PolarHBondContact O-N 3.3Å; R244-K248 WeakPolarHBondContact O-CG 3.46Å; R244-K248 PolarHBondContact O-N 3.26Å
245	L	98.8	Very high	98.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-29.7	175.7	-70.9	177.4	0	0	0	111.5	F116 A119 V120 A123 A208 V241 G242 D243 K248 Y249	F116-L245 HydrophobicContact CD2-CB 4.15Å; F116-L245 HydrophobicContact CE2-CB 3.67Å; F116-L245 HydrophobicContact CZ-CB 4.48Å; A119-L245 HydrophobicContact CB-CD1 4.33Å; A119-L245 HydrophobicContact CB-CD2 4.12Å; V120-L245 HydrophobicContact CB-CD1 4.09Å; V120-L245 HydrophobicContact CG2-CD1 4.35Å; A123-L245 HydrophobicContact CB-CD1 4.1Å; A208-L245 HydrophobicContact CB-CD2 3.8Å; A208-L245 HydrophobicContact CB-CG 4.16Å; V241-L245 HydrophobicContact CG1-CD1 4.2Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CG 3.48Å; V241-L245 PolarHBondContact O-N 3Å; G242-L245 PolarHBondContact O-N 2.88Å; D243-L245 PolarHBondContact O-N 2.8Å; L245-K248 CarbonylContact O-C 3.58Å; L245-K248 PolarHBondContact O-N 3.37Å; L245-Y249 PolarHBondContact O-N 3.29Å
246	K	98.3	Very high	98	Very high	19 Å²	19	51.1 Å²	51.1	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-71.8	-35	179.2	-179.3	63.5	-162.9	62.4	0	111.7	Q86 F87 R90 F116 G242 D243 R244 Y249 D250	Q86-K246 HydrophobicContact CB-CD 4.22Å; Q86-K246 HydrophobicContact CB-CG 4.49Å; Q86-K246 HydrophobicContact CG-CB 4.38Å; F87-K246 HydrophobicContact CE2-CD 4.11Å; F87-K246 HydrophobicContact CZ-CD 4.24Å; R90-K246 VanDerWaalsContact NH2-NZ 3.19Å; F116-K246 HydrophobicContact CE2-CB 4.16Å; G242-K246 VanDerWaalsContact O-CB 3.24Å; G242-K246 WeakPolarHBondContact O-CB 3.4Å; G242-K246 PolarHBondContact O-N 2.98Å; D243-K246 WeakPolarHBondContact O-CA 3.43Å; D243-K246 WeakPolarHBondContact O-CB 3.28Å; D243-K246 PolarHBondContact O-N 2.77Å; R244-K246 PolarHBondContact O-N 3.18Å; K246-Y249 HydrophobicContact CD-CD1 4.27Å; K246-Y249 WeakPolarHBondContact O-CB 3.3Å; K246-Y249 PolarHBondContact O-N 3.19Å; K246-D250 IonicContact NZ-OD1 2.67Å; K246-D250 PolarHBondContact NZ-OD1 2.03Å; K246-D250 IonicContact NZ-OD2 3.78Å; K246-D250 PolarHBondContact NZ-OD2 3.31Å; K246-D250 PolarHBondContact O-N 2.97Å
247	E	98.1	Very high	97.9	Very high	106 Å²	106	51.8 Å²	51.8	50%	0.495	25%	0.25	S	S	.	.	H	α-helix	trans	-59.2	-49.2	166.6	-66.7	170.5	180	0	0	110.6	D243 R244 Y249 D250 S251	D243-E247 PolarHBondContact O-N 3.33Å; R244-E247 WeakPolarHBondContact CD-OE2 3.2Å; R244-E247 IonicContact CZ-OE2 2.57Å; R244-E247 IonicContact NH1-OE2 3.22Å; R244-E247 PolarHBondContact NH1-OE2 3.45Å; R244-E247 WeakPolarHBondContact O-CB 3.41Å; R244-E247 PolarHBondContact O-N 3.3Å; E247-Y249 PolarHBondContact O-N 3.14Å; E247-D250 PolarHBondContact O-N 3.05Å; E247-D250 VanDerWaalsContact O-N 3.08Å; E247-S251 PolarHBondContact O-N 2.84Å; E247-S251 PolarHBondContact O-OG 3.35Å
248	K	98.4	Very high	97.8	Very high	30 Å²	30	46.3 Å²	46.3	13%	0.13	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-29.5	178.5	-65.2	-60	-168.4	175.3	0	113.1	R244 L245 S251 A252 E276 D277 L278	R244-K248 WeakPolarHBondContact O-CG 3.46Å; R244-K248 PolarHBondContact O-N 3.26Å; L245-K248 CarbonylContact O-C 3.58Å; L245-K248 PolarHBondContact O-N 3.37Å; K248-S251 CarbonylContact O-C 3.48Å; K248-A252 WeakPolarHBondContact O-CA 3.46Å; K248-A252 PolarHBondContact O-N 3.15Å; K248-A252 VanDerWaalsContact O-N 3.08Å; K248-E276 WeakPolarHBondContact CE-O 3.49Å; K248-D277 IonicContact NZ-OD1 2.94Å; K248-D277 PolarHBondContact NZ-OD1 3.33Å; K248-L278 HydrophobicContact CB-CD1 4.22Å; K248-L278 HydrophobicContact CB-CG 3.96Å
249	Y	98.3	Very high	97.6	Very high	14 Å²	14	56.6 Å²	56.6	6%	0.055	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-46.4	171.1	164.7	-83.3	0	0	0	111.4	F87 R112 E113 F116 L245 K246 E247 S251 A252	F87-Y249 HydrophobicContact CE1-CD1 4.5Å; F87-Y249 HydrophobicContact CE1-CD2 4.35Å; F87-Y249 AromaticContact CE1-CE1 3.95Å; F87-Y249 HydrophobicContact CE1-CE1 3.95Å; F87-Y249 AromaticContact CE1-CE2 3.77Å; F87-Y249 HydrophobicContact CE1-CE2 3.77Å; F87-Y249 AromaticContact CE1-CZ 3.55Å; F87-Y249 HydrophobicContact CZ-CD1 4.1Å; F87-Y249 AromaticContact CZ-CD2 3.71Å; F87-Y249 HydrophobicContact CZ-CD2 3.71Å; F87-Y249 AromaticContact CZ-CE1 4Å; F87-Y249 HydrophobicContact CZ-CE1 4Å; F87-Y249 AromaticContact CZ-CE2 3.58Å; F87-Y249 HydrophobicContact CZ-CE2 3.58Å; F87-Y249 AromaticContact CZ-CG 3.98Å; F87-Y249 HydrophobicContact CZ-CG 3.98Å; F87-Y249 AromaticContact CZ-CZ 3.75Å; R112-Y249 HydrophobicContact CB-CD2 4.29Å; R112-Y249 HydrophobicContact CB-CE2 3.76Å; R112-Y249 VanDerWaalsContact CD-CE2 3.48Å; R112-Y249 VanDerWaalsContact CD-O 3.22Å; R112-Y249 WeakPolarHBondContact CD-O 3.37Å; R112-Y249 HydrophobicContact CG-CD2 3.49Å; R112-Y249 VanDerWaalsContact CG-CD2 3.49Å; R112-Y249 HydrophobicContact CG-CE2 3.36Å; R112-Y249 HydrophobicContact CG-CG 4.19Å; R112-Y249 PolarHBondContact NH1-O 2.76Å; R112-Y249 WeakPolarHBondContact O-CD2 3.36Å; R112-Y249 WeakPolarHBondContact O-CE2 3.47Å; E113-Y249 HydrophobicContact CG-CE2 4.31Å; E113-Y249 PolarHBondContact OE1-OH 2.84Å; F116-Y249 HydrophobicContact CB-CD2 3.79Å; F116-Y249 HydrophobicContact CB-CG 4.45Å; F116-Y249 HydrophobicContact CG-CD2 4.46Å; L245-Y249 PolarHBondContact O-N 3.29Å; K246-Y249 HydrophobicContact CD-CD1 4.27Å; K246-Y249 WeakPolarHBondContact O-CB 3.3Å; K246-Y249 PolarHBondContact O-N 3.19Å; E247-Y249 PolarHBondContact O-N 3.14Å; Y249-S251 PolarHBondContact O-N 3.22Å; Y249-A252 WeakPolarHBondContact O-CB 3.38Å; Y249-A252 PolarHBondContact O-N 3.4Å
250	D	96.6	Very high	97.3	Very high	77 Å²	77	59.4 Å²	59.4	41%	0.412	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-31.9	-178	-70.3	-37.6	0	0	0	111.5	R90 R112 K246 E247	R90-D250 IonicContact CZ-OD1 2.8Å; R90-D250 IonicContact NH1-OD1 3.39Å; R90-D250 IonicContact NH2-OD1 2.77Å; R90-D250 PolarHBondContact NH2-OD1 3.22Å; R90-D250 IonicContact NH2-OD2 2.73Å; R112-D250 PolarHBondContact NH1-O 2.78Å; K246-D250 IonicContact NZ-OD1 2.67Å; K246-D250 PolarHBondContact NZ-OD1 2.03Å; K246-D250 IonicContact NZ-OD2 3.78Å; K246-D250 PolarHBondContact NZ-OD2 3.31Å; K246-D250 PolarHBondContact O-N 2.97Å; E247-D250 PolarHBondContact O-N 3.05Å; E247-D250 VanDerWaalsContact O-N 3.08Å
251	S	96.6	Very high	97	Very high	79 Å²	79	54.6 Å²	54.6	55%	0.552	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	18.1	176.5	73.9	0	0	0	0	115.2	E247 K248 Y249	E247-S251 PolarHBondContact O-N 2.84Å; E247-S251 PolarHBondContact O-OG 3.35Å; K248-S251 CarbonylContact O-C 3.48Å; Y249-S251 PolarHBondContact O-N 3.22Å
252	A	97.9	Very high	96.7	Very high	11 Å²	11	63 Å²	63	9%	0.091	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-63.4	143.1	-175.6	0	0	0	0	0	112.5	R112 K248 Y249 L278 Y280	R112-A252 HydrophobicContact CG-CB 3.85Å; K248-A252 WeakPolarHBondContact O-CA 3.46Å; K248-A252 PolarHBondContact O-N 3.15Å; K248-A252 VanDerWaalsContact O-N 3.08Å; Y249-A252 WeakPolarHBondContact O-CB 3.38Å; Y249-A252 PolarHBondContact O-N 3.4Å; A252-L278 CarbonylContact C-O 3.59Å; A252-L278 VanDerWaalsContact CA-O 3.29Å; A252-L278 WeakPolarHBondContact CA-O 2.86Å; A252-L278 HydrophobicContact CB-CB 3.99Å; A252-Y280 HydrophobicContact CB-CD1 4.07Å; A252-Y280 HydrophobicContact CB-CE1 4.42Å; A252-Y280 WeakPolarHBondContact O-CE1 3Å
253	A	97.9	Very high	96.6	Very high	18 Å²	18	64.5 Å²	64.5	15%	0.149	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.1	-175.3	0	0	0	0	0	112.8	M255 L265 P273 L278 V279 Y280	A253-M255 HydrophobicContact CB-SD 4.25Å; A253-L265 HydrophobicContact CB-CD2 3.9Å; A253-P273 HydrophobicContact CB-CB 4.22Å; A253-P273 HydrophobicContact CB-CG 4.23Å; A253-L278 PolarHBondContact N-O 3.04Å; A253-V279 HydrophobicContact CB-CG1 4.4Å; A253-V279 WeakPolarHBondContact O-CA 3.06Å; A253-Y280 WeakPolarHBondContact O-CD1 3.42Å; A253-Y280 PolarHBondContact O-N 3.22Å
254	A	97.9	Very high	96.5	Very high	29 Å²	29	65.4 Å²	65.4	24%	0.24	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123.1	171.8	0	0	0	0	0	110.4	V266 Y280	A254-V266 HydrophobicContact CB-CB 4.16Å; A254-V266 HydrophobicContact CB-CG2 4.02Å; A254-V266 PolarHBondContact O-N 3.45Å; A254-Y280 HydrophobicContact CB-CE1 4.02Å; A254-Y280 HydrophobicContact CB-CE2 3.83Å
255	M	97.8	Very high	96.4	Very high	7 Å²	7	62 Å²	62	3%	0.034	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	155.2	-177.1	-54.5	-60.8	-77.7	0	0	111	A253 L263 E264 L265 P273 V279 Y280 V281	A253-M255 HydrophobicContact CB-SD 4.25Å; M255-L263 HydrophobicContact CB-CB 4.36Å; M255-L263 HydrophobicContact CB-CD2 4.35Å; M255-L263 HydrophobicContact CE-CB 3.81Å; M255-E264 CarbonylContact C-O 3.38Å; M255-E264 VanDerWaalsContact CA-O 3.26Å; M255-E264 WeakPolarHBondContact CA-O 3.27Å; M255-L265 HydrophobicContact SD-CD2 3.72Å; M255-L265 HydrophobicContact SD-CG 4Å; M255-P273 HydrophobicContact CE-CG 4Å; M255-P273 HydrophobicContact SD-CG 3.94Å; M255-V279 HydrophobicContact CG-CB 3.64Å; M255-V279 HydrophobicContact CG-CG1 3.83Å; M255-V279 HydrophobicContact CG-CG2 4.5Å; M255-V279 HydrophobicContact SD-CG1 4.31Å; M255-Y280 PolarHBondContact N-O 2.94Å; M255-V281 HydrophobicContact CB-CG1 4.34Å; M255-V281 WeakPolarHBondContact O-CA 3.02Å
256	R	96.1	Very high	96.2	Very high	135 Å²	135	66.2 Å²	66.2	51%	0.509	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150	169.5	62.8	179.9	-173	127.6	10	109.8	L263 E264 V266	R256-L263 WeakPolarHBondContact O-CA 3.29Å; R256-E264 PolarHBondContact N-O 3.09Å; R256-E264 IonicContact NH2-OE2 3.88Å; R256-E264 PolarHBondContact NH2-OE2 3.09Å; R256-E264 PolarHBondContact O-N 2.87Å; R256-V266 HydrophobicContact CB-CG2 4.15Å; R256-V266 HydrophobicContact CG-CG2 4.43Å
257	V	96.6	Very high	96	Very high	32 Å²	32	68.2 Å²	68.2	19%	0.194	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.4	173.7	69.2	0	0	0	0	110.4
258	T	95.5	Very high	95.7	Very high	17 Å²	17	68.5 Å²	68.5	10%	0.104	34%	0.342	C	S	.	.			trans	-88.7	160	174.4	58.9	0	0	0	0	111.2	G188 K260 G261 R262 E264	G188-T258 VanDerWaalsContact CA-O 3.22Å; G188-T258 WeakPolarHBondContact CA-O 3.14Å; T258-K260 PolarHBondContact O-N 3.39Å; T258-K260 PolarHBondContact OG1-N 2.82Å; T258-G261 PolarHBondContact O-N 2.57Å; T258-R262 WeakPolarHBondContact CG2-O 3.13Å; T258-R262 PolarHBondContact N-O 3.44Å; T258-R262 PolarHBondContact OG1-N 3.19Å; T258-R262 PolarHBondContact OG1-O 3.49Å; T258-E264 HydrophobicContact CG2-CB 3.98Å; T258-E264 HydrophobicContact CG2-CG 3.48Å; T258-E264 VanDerWaalsContact CG2-CG 3.48Å; T258-E264 WeakPolarHBondContact CG2-OE1 3.29Å; T258-E264 VanDerWaalsContact CG2-OE2 3.24Å; T258-E264 WeakPolarHBondContact CG2-OE2 3.38Å
259	R	92.4	Very high	95.4	Very high	241 Å²	241	77.7 Å²	77.7	91%	0.909	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.2	168.5	-63.5	-175.7	-178.3	177.5	0.3	113.2	G261	R259-G261 VanDerWaalsContact C-N 3.27Å; R259-G261 PolarHBondContact O-N 2.93Å
260	K	92.4	Very high	95.2	Very high	156 Å²	156	83.5 Å²	83.5	68%	0.678	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	1.8	175.9	-64.7	-176.6	-178.5	176.5	0	113.2	K187 T258	K187-K260 VanDerWaalsContact CE-C 3.42Å; K187-K260 WeakPolarHBondContact CE-O 3.43Å; T258-K260 PolarHBondContact O-N 3.39Å; T258-K260 PolarHBondContact OG1-N 2.82Å
261	G	92.1	Very high	95	Very high	12 Å²	12	85.9 Å²	85.9	12%	0.124	42%	0.42	C	S	.	.	S	Bend	trans	71.2	33.6	179.7	0	0	0	0	0	113.5	Q192 L196 T258 R259	Q192-G261 VanDerWaalsContact OE1-CA 3.24Å; L196-G261 WeakPolarHBondContact CD1-O 3.29Å; T258-G261 PolarHBondContact O-N 2.57Å; R259-G261 VanDerWaalsContact C-N 3.27Å; R259-G261 PolarHBondContact O-N 2.93Å
262	R	93.6	Very high	94.9	Very high	177 Å²	177	88.5 Å²	88.5	67%	0.668	42%	0.423	S	S	*	.			trans	-120.6	147.7	175.8	-63.4	-177.3	178.8	172.3	-1.7	110.3	T258	T258-R262 WeakPolarHBondContact CG2-O 3.13Å; T258-R262 PolarHBondContact N-O 3.44Å; T258-R262 PolarHBondContact OG1-N 3.19Å; T258-R262 PolarHBondContact OG1-O 3.49Å
263	L	95.7	Very high	94.8	Very high	33 Å²	33	89 Å²	89	17%	0.173	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.3	169.6	-65.7	-179.3	0	0	0	110.1	L196 M255 R256 V279 V281	L196-L263 HydrophobicContact CB-CD1 3.72Å; L196-L263 HydrophobicContact CB-CD2 4.32Å; L196-L263 HydrophobicContact CB-CG 3.81Å; L196-L263 HydrophobicContact CD1-CG 4.16Å; M255-L263 HydrophobicContact CB-CB 4.36Å; M255-L263 HydrophobicContact CB-CD2 4.35Å; M255-L263 HydrophobicContact CE-CB 3.81Å; R256-L263 WeakPolarHBondContact O-CA 3.29Å; L263-V279 HydrophobicContact CD1-CG2 4.48Å; L263-V281 HydrophobicContact CD2-CG1 4.13Å
264	E	95.9	Very high	94.8	Very high	87 Å²	87	91.1 Å²	91.1	41%	0.407	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.6	172.3	-77.1	-178.9	-178.6	0	0	109.9	M255 R256 T258 V266	M255-E264 CarbonylContact C-O 3.38Å; M255-E264 VanDerWaalsContact CA-O 3.26Å; M255-E264 WeakPolarHBondContact CA-O 3.27Å; R256-E264 PolarHBondContact N-O 3.09Å; R256-E264 IonicContact NH2-OE2 3.88Å; R256-E264 PolarHBondContact NH2-OE2 3.09Å; R256-E264 PolarHBondContact O-N 2.87Å; T258-E264 HydrophobicContact CG2-CB 3.98Å; T258-E264 HydrophobicContact CG2-CG 3.48Å; T258-E264 VanDerWaalsContact CG2-CG 3.48Å; T258-E264 WeakPolarHBondContact CG2-OE1 3.29Å; T258-E264 VanDerWaalsContact CG2-OE2 3.24Å; T258-E264 WeakPolarHBondContact CG2-OE2 3.38Å; E264-V266 PolarHBondContact O-N 3.27Å
265	L	96.9	Very high	94.8	Very high	21 Å²	21	92.4 Å²	92.4	11%	0.11	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	137.7	173.7	-80.5	165.7	0	0	0	110.5	A253 M255 N267 F270	A253-L265 HydrophobicContact CB-CD2 3.9Å; M255-L265 HydrophobicContact SD-CD2 3.72Å; M255-L265 HydrophobicContact SD-CG 4Å; L265-N267 VanDerWaalsContact C-N 3.29Å; L265-F270 WeakPolarHBondContact CD1-O 3.48Å
266	V	95.9	Very high	94.8	Very high	89 Å²	89	94.1 Å²	94.1	54%	0.539	45%	0.45	S	S	.	.	S	Bend	trans	-65	-39	170.8	174.3	0	0	0	0	110.2	A254 R256 E264	A254-V266 HydrophobicContact CB-CB 4.16Å; A254-V266 HydrophobicContact CB-CG2 4.02Å; A254-V266 PolarHBondContact O-N 3.45Å; R256-V266 HydrophobicContact CB-CG2 4.15Å; R256-V266 HydrophobicContact CG-CG2 4.43Å; E264-V266 PolarHBondContact O-N 3.27Å
267	N	93.7	Very high	94.9	Very high	62 Å²	62	89 Å²	89	33%	0.332	43%	0.433	S	S	.	.	S	Bend	trans	-120.6	111.4	177.1	-178.4	-11	0	0	0	110.3	L265 R269 F270	L265-N267 VanDerWaalsContact C-N 3.29Å; N267-R269 PolarHBondContact O-N 3.22Å; N267-R269 WeakPolarHBondContact OD1-CB 3.25Å; N267-R269 WeakPolarHBondContact OD1-CG 3.44Å; N267-R269 PolarHBondContact OD1-N 3.06Å; N267-F270 HydrophobicContact CB-CD2 3.76Å; N267-F270 HydrophobicContact CB-CE2 3.85Å; N267-F270 WeakPolarHBondContact ND2-CE2 3.37Å; N267-F270 PolarHBondContact O-N 2.89Å
268	S	92.1	Very high	95	Very high	111 Å²	111	87.4 Å²	87.4	78%	0.776	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.3	-176.6	56.3	0	0	0	0	114.9	F270	S268-F270 VanDerWaalsContact C-N 3.26Å
269	R	92.5	Very high	95.1	Very high	224 Å²	224	86.7 Å²	86.7	85%	0.845	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.7	174.9	-61.1	-178.8	-174.4	174.4	2	112.7	N267	N267-R269 PolarHBondContact O-N 3.22Å; N267-R269 WeakPolarHBondContact OD1-CB 3.25Å; N267-R269 WeakPolarHBondContact OD1-CG 3.44Å; N267-R269 PolarHBondContact OD1-N 3.06Å
270	F	92.4	Very high	95.4	Very high	136 Å²	136	77.4 Å²	77.4	60%	0.596	38%	0.384	S	S	*	.	S	Bend	trans	-85.2	156.3	177.1	-62.7	-64.2	0	0	0	111.5	L265 N267 S268	L265-F270 WeakPolarHBondContact CD1-O 3.48Å; N267-F270 HydrophobicContact CB-CD2 3.76Å; N267-F270 HydrophobicContact CB-CE2 3.85Å; N267-F270 WeakPolarHBondContact ND2-CE2 3.37Å; N267-F270 PolarHBondContact O-N 2.89Å; S268-F270 VanDerWaalsContact C-N 3.26Å
271	T	93.3	Very high	95.6	Very high	127 Å²	127	71.6 Å²	71.6	78%	0.779	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-66.7	139.9	175.8	49.1	0	0	0	0	111.3
272	Q	94.7	Very high	95.9	Very high	134 Å²	134	73.7 Å²	73.7	63%	0.626	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-56.7	130.1	175.1	-168.6	79	23.8	0	0	110.2
273	P	96.4	Very high	96	Very high	22 Å²	22	70.3 Å²	70.3	14%	0.143	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-66.9	140.4	178.4	26	-33.2	0	0	0	111.1	A253 M255 D277 V279	A253-P273 HydrophobicContact CB-CB 4.22Å; A253-P273 HydrophobicContact CB-CG 4.23Å; M255-P273 HydrophobicContact CE-CG 4Å; M255-P273 HydrophobicContact SD-CG 3.94Å; P273-D277 HydrophobicContact CB-CB 3.86Å; P273-V279 HydrophobicContact CB-CG1 4.01Å; P273-V279 HydrophobicContact CG-CG1 3.94Å
274	T	97.1	Very high	96	Very high	62 Å²	62	71.1 Å²	71.1	38%	0.38	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-84	168.7	172.1	70.2	0	0	0	0	110.9	Q200 E276 D277	Q200-T274 PolarHBondContact NE2-O 2.84Å; T274-E276 PolarHBondContact O-N 3.06Å; T274-E276 PolarHBondContact OG1-N 2.98Å; T274-D277 WeakPolarHBondContact CB-OD2 3.41Å; T274-D277 PolarHBondContact N-OD2 3.02Å; T274-D277 PolarHBondContact O-N 3.33Å; T274-D277 PolarHBondContact OG1-OD2 3.34Å
275	P	97.1	Very high	95.9	Very high	56 Å²	56	68.1 Å²	68.1	36%	0.364	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-10.3	171.3	-26.8	37.2	0	0	0	115.7	E203 A204	E203-P275 HydrophobicContact CG-CB 4.46Å; A204-P275 VanDerWaalsContact CA-O 3.25Å; A204-P275 WeakPolarHBondContact CA-O 3.48Å; A204-P275 PolarHBondContact N-O 2.65Å
276	E	97.3	Very high	95.8	Very high	43 Å²	43	71.4 Å²	71.4	20%	0.201	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-7.5	176.4	-71.5	162.4	-125.7	0	0	113.1	R207 K211 K248 T274	R207-E276 HydrophobicContact CB-CG 4.1Å; K211-E276 WeakPolarHBondContact CE-OE1 2.95Å; K211-E276 VanDerWaalsContact NZ-CD 3.3Å; K211-E276 IonicContact NZ-OE1 2.92Å; K211-E276 PolarHBondContact NZ-OE1 2.94Å; K211-E276 IonicContact NZ-OE2 3.3Å; K211-E276 PolarHBondContact NZ-OE2 3.3Å; K248-E276 WeakPolarHBondContact CE-O 3.49Å; T274-E276 PolarHBondContact O-N 3.06Å; T274-E276 PolarHBondContact OG1-N 2.98Å
277	D	98.3	Very high	95.7	Very high	26 Å²	26	68.1 Å²	68.1	14%	0.139	36%	0.363	C	S	.	.	S	Bend	trans	-93	142.3	-179.3	-60.8	-47.8	0	0	0	110.6	K248 P273 T274	K248-D277 IonicContact NZ-OD1 2.94Å; K248-D277 PolarHBondContact NZ-OD1 3.33Å; P273-D277 HydrophobicContact CB-CB 3.86Å; T274-D277 WeakPolarHBondContact CB-OD2 3.41Å; T274-D277 PolarHBondContact N-OD2 3.02Å; T274-D277 PolarHBondContact O-N 3.33Å; T274-D277 PolarHBondContact OG1-OD2 3.34Å
278	L	98.7	Very high	95.8	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.351	C	S	.	.			trans	-80.7	143.9	174.5	-60.2	-175.4	0	0	0	110.3	A115 F116 A119 N201 A204 K248 A252 A253	A115-L278 HydrophobicContact CB-CB 4.39Å; F116-L278 HydrophobicContact CB-CD1 4.25Å; F116-L278 HydrophobicContact CD2-CD1 4.41Å; A119-L278 HydrophobicContact CB-CD2 3.53Å; N201-L278 HydrophobicContact CB-CD2 4.27Å; N201-L278 VanDerWaalsContact OD1-CA 3.32Å; N201-L278 WeakPolarHBondContact OD1-CA 3.13Å; A204-L278 HydrophobicContact CB-CD2 3.76Å; K248-L278 HydrophobicContact CB-CD1 4.22Å; K248-L278 HydrophobicContact CB-CG 3.96Å; A252-L278 CarbonylContact C-O 3.59Å; A252-L278 VanDerWaalsContact CA-O 3.29Å; A252-L278 WeakPolarHBondContact CA-O 2.86Å; A252-L278 HydrophobicContact CB-CB 3.99Å; A253-L278 PolarHBondContact N-O 3.04Å
279	V	98.5	Very high	95.9	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.7	179.2	-61.2	0	0	0	0	110.7	A115 M197 Q200 N201 A253 M255 L263 P273	A115-V279 VanDerWaalsContact CB-O 3.27Å; A115-V279 WeakPolarHBondContact CB-O 3.07Å; M197-V279 HydrophobicContact CB-CG2 4.46Å; M197-V279 HydrophobicContact CG-CG2 3.94Å; M197-V279 WeakPolarHBondContact CG-O 3.45Å; Q200-V279 HydrophobicContact CB-CG2 3.91Å; Q200-V279 HydrophobicContact CG-CG1 4.27Å; Q200-V279 HydrophobicContact CG-CG2 3.66Å; N201-V279 PolarHBondContact ND2-O 3.26Å; N201-V279 PolarHBondContact OD1-N 3.35Å; N201-V279 PolarHBondContact OD1-O 3.38Å; A253-V279 HydrophobicContact CB-CG1 4.4Å; A253-V279 WeakPolarHBondContact O-CA 3.06Å; M255-V279 HydrophobicContact CG-CB 3.64Å; M255-V279 HydrophobicContact CG-CG1 3.83Å; M255-V279 HydrophobicContact CG-CG2 4.5Å; M255-V279 HydrophobicContact SD-CG1 4.31Å; L263-V279 HydrophobicContact CD1-CG2 4.48Å; P273-V279 HydrophobicContact CB-CG1 4.01Å; P273-V279 HydrophobicContact CG-CG1 3.94Å
280	Y	98.4	Very high	95.9	Very high	45 Å²	45	63 Å²	63	18%	0.176	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.1	175.9	70.5	-89	0	0	0	110.5	G110 R112 A252 A253 A254 M255 D282	G110-Y280 WeakPolarHBondContact O-CB 3.44Å; R112-Y280 HydrophobicContact CB-CD1 4.43Å; R112-Y280 HydrophobicContact CG-CD1 4.44Å; A252-Y280 HydrophobicContact CB-CD1 4.07Å; A252-Y280 HydrophobicContact CB-CE1 4.42Å; A252-Y280 WeakPolarHBondContact O-CE1 3Å; A253-Y280 WeakPolarHBondContact O-CD1 3.42Å; A253-Y280 PolarHBondContact O-N 3.22Å; A254-Y280 HydrophobicContact CB-CE1 4.02Å; A254-Y280 HydrophobicContact CB-CE2 3.83Å; M255-Y280 PolarHBondContact N-O 2.94Å; Y280-D282 VanDerWaalsContact CD2-O 3.23Å; Y280-D282 WeakPolarHBondContact CD2-O 3.48Å
281	V	97.8	Very high	95.8	Very high	35 Å²	35	59.8 Å²	59.8	21%	0.212	32%	0.321	C	S	.	.	S	Bend	trans	-113.6	-22.6	-177.9	-61.9	0	0	0	0	113.3	G110 M197 M255 L263	G110-V281 PolarHBondContact O-N 2.71Å; M197-V281 HydrophobicContact CB-CG1 4.1Å; M197-V281 HydrophobicContact CG-CG1 4.24Å; M197-V281 HydrophobicContact SD-CB 4.46Å; M197-V281 HydrophobicContact SD-CG1 4.28Å; M197-V281 HydrophobicContact SD-CG2 3.86Å; M255-V281 HydrophobicContact CB-CG1 4.34Å; M255-V281 WeakPolarHBondContact O-CA 3.02Å; L263-V281 HydrophobicContact CD2-CG1 4.13Å
282	D	96.8	Very high	95.6	Very high	56 Å²	56	60.1 Å²	60.1	30%	0.299	31%	0.313	S	S	.	.	S	Bend	trans	-117.9	145.4	-178.8	-60.1	-44.2	0	0	0	111.2	I109 G110 S111 Y280	I109-D282 HydrophobicContact CG2-CB 3.74Å; G110-D282 VanDerWaalsContact CA-OD2 3.29Å; G110-D282 WeakPolarHBondContact CA-OD2 3.37Å; G110-D282 PolarHBondContact N-OD2 2.88Å; G110-D282 PolarHBondContact O-N 3.04Å; S111-D282 WeakPolarHBondContact CA-O 3.45Å; Y280-D282 VanDerWaalsContact CD2-O 3.23Å; Y280-D282 WeakPolarHBondContact CD2-O 3.48Å
283	P	96.1	Very high	95.2	Very high	105 Å²	105	57.8 Å²	57.8	68%	0.682	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-62.3	145.3	171.5	28.4	-34.2	0	0	0	110.9
284	S	95.7	Very high	94.8	Very high	50 Å²	50	58 Å²	58	35%	0.35	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-63.2	135.9	172.5	-65.1	0	0	0	0	110.3	E113	E113-S284 PolarHBondContact OE1-OG 3.05Å; E113-S284 WeakPolarHBondContact OE2-CB 3.49Å; E113-S284 PolarHBondContact OE2-OG 3.47Å
285	P	94.5	Very high	94.2	Very high	24 Å²	24	55.9 Å²	55.9	16%	0.156	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-68.2	167.8	176.2	31.3	-37	0	0	0	111.1	I109 Y287 T294	I109-P285 HydrophobicContact CD1-CB 4.22Å; I109-P285 HydrophobicContact CD1-CG 3.88Å; P285-Y287 WeakPolarHBondContact CD-OH 3.39Å; P285-Y287 HydrophobicContact CG-CD1 4.36Å; P285-Y287 HydrophobicContact CG-CE1 3.69Å; P285-Y287 HydrophobicContact CG-CE2 4.24Å; P285-Y287 WeakPolarHBondContact O-CD2 3.38Å; P285-Y287 PolarHBondContact O-N 2.94Å; P285-T294 HydrophobicContact CB-CG2 3.91Å
286	D	93.9	Very high	93.9	Very high	91 Å²	91	53.4 Å²	53.4	49%	0.487	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-71.8	117.6	169.1	-177.2	20	0	0	0	110.7	C288	D286-C288 WeakPolarHBondContact OD1-CB 3.12Å; D286-C288 PolarHBondContact OD1-N 3.34Å; D286-C288 PolarHBondContact OD1-SG 3.12Å; D286-C288 VanDerWaalsContact OD1-SG 3.34Å
287	Y	95.3	Very high	93.6	Very high	19 Å²	19	55.7 Å²	55.7	8%	0.075	30%	0.3	C	S	.	.			trans	-93	0.7	177.2	-62.2	-67.9	0	0	0	113.5	W92 V106 E113 P285 S296 G298	W92-Y287 HydrophobicContact CB-CD1 3.85Å; W92-Y287 HydrophobicContact CB-CD2 3.86Å; W92-Y287 HydrophobicContact CB-CE1 3.9Å; W92-Y287 HydrophobicContact CB-CE2 3.9Å; W92-Y287 HydrophobicContact CB-CG 3.82Å; W92-Y287 AromaticContact CD1-CE1 3.64Å; W92-Y287 HydrophobicContact CG-CD1 4.3Å; W92-Y287 AromaticContact CG-CE1 3.96Å; W92-Y287 HydrophobicContact CG-CE1 3.96Å; V106-Y287 HydrophobicContact CG2-CE1 4.43Å; E113-Y287 HydrophobicContact CG-CE2 4.13Å; E113-Y287 WeakPolarHBondContact OE2-CE2 3.45Å; E113-Y287 PolarHBondContact OE2-OH 3.48Å; P285-Y287 WeakPolarHBondContact CD-OH 3.39Å; P285-Y287 HydrophobicContact CG-CD1 4.36Å; P285-Y287 HydrophobicContact CG-CE1 3.69Å; P285-Y287 HydrophobicContact CG-CE2 4.24Å; P285-Y287 WeakPolarHBondContact O-CD2 3.38Å; P285-Y287 PolarHBondContact O-N 2.94Å; Y287-S296 WeakPolarHBondContact CA-OG 3.26Å; Y287-G298 WeakPolarHBondContact O-CA 3.45Å
288	C	94.8	Very high	93.4	Very high	12 Å²	12	55 Å²	55	8%	0.081	30%	0.3	C	S	.	.	S	Bend	trans	-68.5	-42	179.9	-74.3	0	0	0	0	112.8	D286 T299 C319 R321	D286-C288 WeakPolarHBondContact OD1-CB 3.12Å; D286-C288 PolarHBondContact OD1-N 3.34Å; D286-C288 PolarHBondContact OD1-SG 3.12Å; D286-C288 VanDerWaalsContact OD1-SG 3.34Å; C288-T299 PolarHBondContact O-N 3.19Å; C288-T299 VanDerWaalsContact O-N 3.07Å; C288-T299 PolarHBondContact O-OG1 2.92Å; C288-C319 VanDerWaalsContact CA-SG 3.55Å; C288-C319 HydrophobicContact CB-CB 3.64Å; C288-C319 WeakPolarHBondContact CB-SG 3.06Å; C288-C319 WeakPolarHBondContact SG-CB 3.03Å; C288-C319 CovalentContact SG-SG 2.02Å; C288-C319 PolarHBondContact SG-SG 3.22Å; C288-R321 PolarHBondContact O-NH1 2.89Å; C288-R321 VanDerWaalsContact O-NH1 3.08Å
289	L	93.8	Very high	93.2	Very high	104 Å²	104	55 Å²	55	55%	0.545	30%	0.3	S	S	.	.	S	Bend	trans	-106.4	149.2	-177.9	-59.9	178.4	0	0	0	110.5	N291 S296	L289-N291 PolarHBondContact O-N 2.6Å; L289-S296 WeakPolarHBondContact O-CB 3.23Å; L289-S296 PolarHBondContact O-OG 3.35Å
290	R	92.7	Very high	93.1	Very high	173 Å²	173	61.7 Å²	61.7	65%	0.653	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	128.7	171.3	-179	172.9	166.9	151	-4	108.8	E292 S296	R290-E292 IonicContact CZ-OE1 3.82Å; R290-E292 IonicContact NE-OE1 3.26Å; R290-E292 IonicContact NH2-OE1 2.97Å; R290-E292 PolarHBondContact NH2-OE1 3.12Å; R290-S296 CarbonylContact C-O 3.6Å; R290-S296 WeakPolarHBondContact CA-O 3.4Å
291	N	91.4	Very high	92.9	Very high	70 Å²	70	61.9 Å²	61.9	37%	0.374	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	111.1	178.2	-176.8	-23.8	0	0	0	109.3	L289 S293 T294 G295 S296	L289-N291 PolarHBondContact O-N 2.6Å; N291-S293 VanDerWaalsContact C-N 3.29Å; N291-S293 PolarHBondContact O-N 2.99Å; N291-S293 VanDerWaalsContact OD1-CB 3.31Å; N291-S293 WeakPolarHBondContact OD1-CB 3.35Å; N291-S293 PolarHBondContact OD1-N 3.06Å; N291-T294 WeakPolarHBondContact CB-OG1 3.45Å; N291-T294 PolarHBondContact O-N 3.48Å; N291-T294 PolarHBondContact O-OG1 3.23Å; N291-T294 PolarHBondContact OD1-N 3.01Å; N291-G295 CarbonylContact O-C 3.57Å; N291-G295 WeakPolarHBondContact O-CA 3.45Å; N291-G295 PolarHBondContact O-N 3.3Å; N291-S296 PolarHBondContact N-O 3.22Å; N291-S296 PolarHBondContact O-N 3.32Å
292	E	88.3	Confident	92.7	Very high	133 Å²	133	61.9 Å²	61.9	62%	0.621	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-25	-176.8	-60.5	-171.3	164.3	0	0	112.7	R105 R290	R105-E292 WeakPolarHBondContact CD-O 3.16Å; R290-E292 IonicContact CZ-OE1 3.82Å; R290-E292 IonicContact NE-OE1 3.26Å; R290-E292 IonicContact NH2-OE1 2.97Å; R290-E292 PolarHBondContact NH2-OE1 3.12Å
293	S	87.3	Confident	92.6	Very high	85 Å²	85	64 Å²	64	59%	0.594	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-42.8	177.2	-169.6	0	0	0	0	111.5	N291	N291-S293 VanDerWaalsContact C-N 3.29Å; N291-S293 PolarHBondContact O-N 2.99Å; N291-S293 VanDerWaalsContact OD1-CB 3.31Å; N291-S293 WeakPolarHBondContact OD1-CB 3.35Å; N291-S293 PolarHBondContact OD1-N 3.06Å
294	T	86.4	Confident	92.5	Very high	26 Å²	26	59.8 Å²	59.8	16%	0.16	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-14.4	178	62.6	0	0	0	0	112.6	V106 I109 P285 N291 S296	V106-T294 WeakPolarHBondContact CA-O 3.49Å; V106-T294 VanDerWaalsContact CG2-O 3.29Å; V106-T294 WeakPolarHBondContact CG2-O 3.37Å; V106-T294 PolarHBondContact N-O 3.17Å; I109-T294 HydrophobicContact CD1-CG2 4.21Å; P285-T294 HydrophobicContact CB-CG2 3.91Å; N291-T294 WeakPolarHBondContact CB-OG1 3.45Å; N291-T294 PolarHBondContact O-N 3.48Å; N291-T294 PolarHBondContact O-OG1 3.23Å; N291-T294 PolarHBondContact OD1-N 3.01Å; T294-S296 VanDerWaalsContact C-N 3.32Å; T294-S296 PolarHBondContact OG1-N 3.23Å
295	G	86	Confident	92.5	Very high	18 Å²	18	60.3 Å²	60.3	19%	0.186	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	13.9	-172.8	0	0	0	0	0	113.8	V106 N291	V106-G295 WeakPolarHBondContact CG2-O 3.48Å; N291-G295 CarbonylContact O-C 3.57Å; N291-G295 WeakPolarHBondContact O-CA 3.45Å; N291-G295 PolarHBondContact O-N 3.3Å
296	S	90.4	Very high	92.5	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.028	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.7	173.4	175.6	0	0	0	0	110.7	Y287 L289 R290 N291 T294 G298	Y287-S296 WeakPolarHBondContact CA-OG 3.26Å; L289-S296 WeakPolarHBondContact O-CB 3.23Å; L289-S296 PolarHBondContact O-OG 3.35Å; R290-S296 CarbonylContact C-O 3.6Å; R290-S296 WeakPolarHBondContact CA-O 3.4Å; N291-S296 PolarHBondContact N-O 3.22Å; N291-S296 PolarHBondContact O-N 3.32Å; T294-S296 VanDerWaalsContact C-N 3.32Å; T294-S296 PolarHBondContact OG1-N 3.23Å; S296-G298 PolarHBondContact OG-N 2.92Å
297	L	91.2	Very high	92.4	Very high	91 Å²	91	66 Å²	66	48%	0.476	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-13.7	173.6	-60.3	-177.6	0	0	0	113.1	S95	S95-L297 WeakPolarHBondContact OG-CD1 3.45Å
298	G	93.3	Very high	92.4	Very high	13 Å²	13	66.6 Å²	66.6	13%	0.134	36%	0.361	C	S	.	.			trans	77	174.1	-171.5	0	0	0	0	0	113.6	Y287 S296	Y287-G298 WeakPolarHBondContact O-CA 3.45Å; S296-G298 PolarHBondContact OG-N 2.92Å
299	T	95.7	Very high	92.3	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.4	C	S	.	.	S	Bend	trans	-107.1	1.6	179.5	61	0	0	0	0	114.5	R91 C288 G301 R302 M317 R321 C358	R91-T299 HydrophobicContact CB-CG2 3.84Å; R91-T299 HydrophobicContact CG-CG2 3.96Å; C288-T299 PolarHBondContact O-N 3.19Å; C288-T299 VanDerWaalsContact O-N 3.07Å; C288-T299 PolarHBondContact O-OG1 2.92Å; T299-G301 PolarHBondContact O-N 2.93Å; T299-R302 VanDerWaalsContact O-CB 3.28Å; T299-R302 WeakPolarHBondContact O-CB 3.38Å; T299-R302 WeakPolarHBondContact O-CG 3.41Å; T299-R302 PolarHBondContact O-N 3.09Å; T299-M317 WeakPolarHBondContact CB-O 3.03Å; T299-M317 WeakPolarHBondContact CG2-O 3.48Å; T299-M317 PolarHBondContact OG1-O 2.85Å; T299-R321 PolarHBondContact OG1-NH2 3.19Å; T299-C358 VanDerWaalsContact O-CB 3.24Å; T299-C358 WeakPolarHBondContact O-CB 3.49Å
300	Q	95.3	Very high	92.2	Very high	142 Å²	142	71.7 Å²	71.7	66%	0.664	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	137.2	174.8	179.3	168.7	36.2	0	0	110.7	R302 K359	Q300-R302 PolarHBondContact O-N 2.7Å; Q300-K359 VanDerWaalsContact CG-OXT 3.31Å; Q300-K359 WeakPolarHBondContact CG-OXT 3.19Å; Q300-K359 PolarHBondContact NE2-OXT 3.44Å
301	G	93.7	Very high	92.2	Very high	48 Å²	48	67.6 Å²	67.6	50%	0.495	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	0.8	-179.4	0	0	0	0	0	114.7	T299 C358	T299-G301 PolarHBondContact O-N 2.93Å; G301-C358 PolarHBondContact N-O 3.41Å
302	R	94.4	Very high	92.3	Very high	35 Å²	35	65.6 Å²	65.6	13%	0.132	37%	0.367	C	S	.	.			trans	-83.1	143.1	178.3	-67.8	-165.2	59.9	-175.3	-6.8	112.9	R88 R90 R91 T299 Q300 I357 C358	R88-R302 PolarHBondContact O-NH2 3.15Å; R90-R302 PolarHBondContact O-NH1 3.43Å; R90-R302 PolarHBondContact O-NH2 3.23Å; R91-R302 VanDerWaalsContact C-NH1 3.25Å; R91-R302 PolarHBondContact O-NH1 2.78Å; T299-R302 VanDerWaalsContact O-CB 3.28Å; T299-R302 WeakPolarHBondContact O-CB 3.38Å; T299-R302 WeakPolarHBondContact O-CG 3.41Å; T299-R302 PolarHBondContact O-N 3.09Å; Q300-R302 PolarHBondContact O-N 2.7Å; R302-I357 CarbonylContact O-C 3.37Å; R302-I357 VanDerWaalsContact O-CA 3.31Å; R302-I357 WeakPolarHBondContact O-CA 3.12Å; R302-C358 PolarHBondContact O-N 2.89Å
303	L	94.2	Very high	92.7	Very high	101 Å²	101	59.3 Å²	59.3	53%	0.529	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.4	168.7	-70.3	167.7	0	0	0	110.5	Q355 Y356 I357	L303-Q355 HydrophobicContact CD2-CB 4.24Å; L303-Y356 WeakPolarHBondContact CA-O 3.33Å; L303-I357 HydrophobicContact CD2-CD1 4.29Å; L303-I357 HydrophobicContact CD2-CG1 3.77Å; L303-I357 HydrophobicContact CG-CG1 4.42Å
304	C	95.3	Very high	93.1	Very high	16 Å²	16	55.5 Å²	55.5	11%	0.108	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161.4	173.4	67.1	0	0	0	0	111	D312 C314 M317 Y356	C304-D312 WeakPolarHBondContact CA-O 3.4Å; C304-C314 HydrophobicContact CB-CB 3.82Å; C304-C314 WeakPolarHBondContact CB-SG 3.5Å; C304-C314 WeakPolarHBondContact SG-CA 3.46Å; C304-C314 WeakPolarHBondContact SG-CB 3.49Å; C304-C314 CovalentContact SG-SG 2.04Å; C304-C314 PolarHBondContact SG-SG 2.86Å; C304-M317 HydrophobicContact CB-CB 3.99Å; C304-M317 HydrophobicContact CB-CG 4.11Å; C304-Y356 PolarHBondContact N-O 2.65Å
305	N	94.9	Very high	93.5	Very high	61 Å²	61	62 Å²	62	33%	0.326	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-103.3	117.5	179.3	-172.1	-10	0	0	0	109.9	T307 D312 G313 C314	N305-T307 VanDerWaalsContact C-N 3.32Å; N305-T307 PolarHBondContact O-N 2.84Å; N305-T307 PolarHBondContact OD1-N 3.18Å; N305-T307 VanDerWaalsContact OD1-N 3.13Å; N305-T307 PolarHBondContact OD1-OG1 3.26Å; N305-D312 WeakPolarHBondContact CB-OD2 3.34Å; N305-D312 PolarHBondContact N-O 3.18Å; N305-D312 PolarHBondContact ND2-OD2 3.07Å; N305-G313 CarbonylContact O-C 3.45Å; N305-G313 VanDerWaalsContact O-CA 3.23Å; N305-G313 WeakPolarHBondContact O-CA 3.44Å; N305-C314 VanDerWaalsContact C-SG 3.54Å; N305-C314 PolarHBondContact O-N 3.39Å
306	K	94.1	Very high	93.9	Very high	106 Å²	106	64.4 Å²	64.4	46%	0.461	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-29.8	-179.1	-179.1	177.2	176.5	-174.9	0	112.9	Y323 Y356	K306-Y323 HydrophobicContact CD-CE2 4.35Å; K306-Y323 WeakPolarHBondContact CD-OH 3.43Å; K306-Y323 WeakPolarHBondContact CE-OH 3.46Å; K306-Y356 HydrophobicContact CB-CD1 4.33Å; K306-Y356 HydrophobicContact CB-CD2 3.77Å; K306-Y356 HydrophobicContact CB-CE1 4.15Å; K306-Y356 HydrophobicContact CB-CE2 3.6Å; K306-Y356 HydrophobicContact CB-CG 4.14Å; K306-Y356 HydrophobicContact CD-CD1 4.32Å; K306-Y356 HydrophobicContact CD-CE1 3.56Å; K306-Y356 HydrophobicContact CD-CE2 4.23Å; K306-Y356 WeakPolarHBondContact CD-OH 3.49Å; K306-Y356 HydrophobicContact CG-CE1 4.45Å
307	T	93.1	Very high	94.2	Very high	128 Å²	128	64.3 Å²	64.3	79%	0.785	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-9.2	-175.7	60.2	0	0	0	0	113.4	N305	N305-T307 VanDerWaalsContact C-N 3.32Å; N305-T307 PolarHBondContact O-N 2.84Å; N305-T307 PolarHBondContact OD1-N 3.18Å; N305-T307 VanDerWaalsContact OD1-N 3.13Å; N305-T307 PolarHBondContact OD1-OG1 3.26Å
308	S	94.8	Very high	94.4	Very high	32 Å²	32	60 Å²	60	22%	0.224	33%	0.325	C	S	.	.			trans	-87.7	132.7	179	-175.4	0	0	0	0	110.8	G310 D312 G313	S308-G310 VanDerWaalsContact C-N 3.29Å; S308-G310 PolarHBondContact OG-N 3.39Å; S308-D312 WeakPolarHBondContact CB-OD1 3.06Å; S308-D312 WeakPolarHBondContact CB-OD2 3.07Å; S308-D312 PolarHBondContact OG-OD1 3.11Å; S308-D312 PolarHBondContact OG-OD2 3.17Å; S308-G313 WeakPolarHBondContact O-CA 3.4Å
309	E	92.6	Very high	94.5	Very high	193 Å²	193	61.2 Å²	61.2	90%	0.902	33%	0.331	S	S	*	.			trans	-87	-4.2	167	-61	-178.4	172.7	0	0	111.9
310	G	91.9	Very high	94.4	Very high	31 Å²	31	64.5 Å²	64.5	32%	0.32	37%	0.365	S	S	.	.	S	Bend	trans	-79	-172.9	178.8	0	0	0	0	0	113.5	S308 D312 G313 L316	S308-G310 VanDerWaalsContact C-N 3.29Å; S308-G310 PolarHBondContact OG-N 3.39Å; G310-D312 PolarHBondContact O-N 3.26Å; G310-G313 VanDerWaalsContact O-CA 3.32Å; G310-G313 WeakPolarHBondContact O-CA 3.11Å; G310-G313 PolarHBondContact O-N 3.42Å; G310-L316 WeakPolarHBondContact O-CD1 3.06Å
311	M	92.1	Very high	94.4	Very high	87 Å²	87	61.4 Å²	61.4	43%	0.429	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.1	-179.1	-83	171.8	-80.5	0	0	114.8	Q89 R90 L316 M317	Q89-M311 CarbonylContact O-C 3.54Å; R90-M311 WeakPolarHBondContact CD-SD 3.42Å; R90-M311 PolarHBondContact NE-SD 2.86Å; R90-M311 PolarHBondContact NH1-SD 3.47Å; R90-M311 VanDerWaalsContact NH2-CE 3.35Å; M311-L316 HydrophobicContact CG-CD1 4.47Å; M311-M317 WeakPolarHBondContact O-CE 3.04Å
312	D	93.5	Very high	94.4	Very high	27 Å²	27	60.4 Å²	60.4	14%	0.144	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.3	169.3	66	-44.6	0	0	0	112.6	Q89 C304 N305 S308 G310	Q89-D312 HydrophobicContact CB-CB 3.86Å; Q89-D312 HydrophobicContact CG-CB 3.67Å; Q89-D312 PolarHBondContact O-N 3.42Å; C304-D312 WeakPolarHBondContact CA-O 3.4Å; N305-D312 WeakPolarHBondContact CB-OD2 3.34Å; N305-D312 PolarHBondContact N-O 3.18Å; N305-D312 PolarHBondContact ND2-OD2 3.07Å; S308-D312 WeakPolarHBondContact CB-OD1 3.06Å; S308-D312 WeakPolarHBondContact CB-OD2 3.07Å; S308-D312 PolarHBondContact OG-OD1 3.11Å; S308-D312 PolarHBondContact OG-OD2 3.17Å; G310-D312 PolarHBondContact O-N 3.26Å
313	G	96.4	Very high	94.5	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.01	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-56.8	139.4	176	0	0	0	0	0	112.6	N305 S308 G310 E315 L316 M317	N305-G313 CarbonylContact O-C 3.45Å; N305-G313 VanDerWaalsContact O-CA 3.23Å; N305-G313 WeakPolarHBondContact O-CA 3.44Å; S308-G313 WeakPolarHBondContact O-CA 3.4Å; G310-G313 VanDerWaalsContact O-CA 3.32Å; G310-G313 WeakPolarHBondContact O-CA 3.11Å; G310-G313 PolarHBondContact O-N 3.42Å; G313-E315 PolarHBondContact O-N 2.04Å; G313-L316 PolarHBondContact O-N 2.03Å; G313-M317 VanDerWaalsContact O-CB 3.25Å; G313-M317 WeakPolarHBondContact O-CB 3.45Å; G313-M317 PolarHBondContact O-N 3.4Å
314	C	96	Very high	94.6	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.034	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-29.8	-178.9	-68.4	0	0	0	0	113.9	C304 N305 C318 Y323	C304-C314 HydrophobicContact CB-CB 3.82Å; C304-C314 WeakPolarHBondContact CB-SG 3.5Å; C304-C314 WeakPolarHBondContact SG-CA 3.46Å; C304-C314 WeakPolarHBondContact SG-CB 3.49Å; C304-C314 CovalentContact SG-SG 2.04Å; C304-C314 PolarHBondContact SG-SG 2.86Å; N305-C314 VanDerWaalsContact C-SG 3.54Å; N305-C314 PolarHBondContact O-N 3.39Å; C314-C318 WeakPolarHBondContact O-CB 3.35Å; C314-C318 PolarHBondContact O-N 2.92Å; C314-C318 VanDerWaalsContact O-N 3.16Å; C314-C318 PolarHBondContact O-SG 3.5Å; C314-Y323 HydrophobicContact CB-CD1 3.39Å; C314-Y323 HydrophobicContact CB-CE1 3.54Å; C314-Y323 HydrophobicContact CB-CG 4.06Å
315	E	94.3	Very high	94.6	Very high	164 Å²	164	66.1 Å²	66.1	77%	0.766	36%	0.361	S	S	*	.	H	α-helix	trans	-63.2	-48.8	174.9	-174	174.4	-178.6	0	0	111.8	G313 C319 G320	G313-E315 PolarHBondContact O-N 2.04Å; E315-C319 PolarHBondContact O-N 3.31Å; E315-G320 PolarHBondContact O-N 2.03Å
316	L	94.6	Very high	94.5	Very high	68 Å²	68	66.9 Å²	66.9	36%	0.356	36%	0.362	S	S	.	.	H	α-helix	trans	-81.9	-41.3	-177.1	-66.2	-177.8	0	0	0	113.1	R91 G310 M311 G313	R91-L316 VanDerWaalsContact CZ-O 3.27Å; R91-L316 PolarHBondContact NE-O 2.89Å; R91-L316 PolarHBondContact NH2-O 2.94Å; G310-L316 WeakPolarHBondContact O-CD1 3.06Å; M311-L316 HydrophobicContact CG-CD1 4.47Å; G313-L316 PolarHBondContact O-N 2.03Å
317	M	95.9	Very high	94.5	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-65.9	-41.6	179.4	-174.9	111.8	-63.7	0	0	111.3	Q89 R90 R91 T299 C304 M311 G313 C319	Q89-M317 WeakPolarHBondContact O-CE 3.4Å; R90-M317 VanDerWaalsContact C-CE 3.43Å; R91-M317 HydrophobicContact CG-CE 4.28Å; T299-M317 WeakPolarHBondContact CB-O 3.03Å; T299-M317 WeakPolarHBondContact CG2-O 3.48Å; T299-M317 PolarHBondContact OG1-O 2.85Å; C304-M317 HydrophobicContact CB-CB 3.99Å; C304-M317 HydrophobicContact CB-CG 4.11Å; M311-M317 WeakPolarHBondContact O-CE 3.04Å; G313-M317 VanDerWaalsContact O-CB 3.25Å; G313-M317 WeakPolarHBondContact O-CB 3.45Å; G313-M317 PolarHBondContact O-N 3.4Å; M317-C319 VanDerWaalsContact C-N 3.33Å
318	C	96.6	Very high	94.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	1.6	-176.8	-47.9	0	0	0	0	113.6	C314 G320 R321 G322 C358	C314-C318 WeakPolarHBondContact O-CB 3.35Å; C314-C318 PolarHBondContact O-N 2.92Å; C314-C318 VanDerWaalsContact O-N 3.16Å; C314-C318 PolarHBondContact O-SG 3.5Å; C318-G320 VanDerWaalsContact C-N 3.26Å; C318-G320 PolarHBondContact O-N 3.44Å; C318-R321 WeakPolarHBondContact O-CB 3.35Å; C318-R321 PolarHBondContact O-N 3.46Å; C318-G322 WeakPolarHBondContact CB-O 3.26Å; C318-C358 WeakPolarHBondContact CA-SG 3.5Å; C318-C358 HydrophobicContact CB-CB 3.59Å; C318-C358 WeakPolarHBondContact CB-SG 3.28Å; C318-C358 PolarHBondContact N-SG 2.91Å; C318-C358 WeakPolarHBondContact SG-CA 3.36Å; C318-C358 WeakPolarHBondContact SG-CB 3.25Å; C318-C358 CovalentContact SG-SG 2.04Å; C318-C358 PolarHBondContact SG-SG 2.96Å
319	C	95.6	Very high	94.3	Very high	38 Å²	38	67.6 Å²	67.6	26%	0.257	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	41.6	173.9	-49.6	0	0	0	0	113.1	C288 E315 M317 R321	C288-C319 VanDerWaalsContact CA-SG 3.55Å; C288-C319 HydrophobicContact CB-CB 3.64Å; C288-C319 WeakPolarHBondContact CB-SG 3.06Å; C288-C319 WeakPolarHBondContact SG-CB 3.03Å; C288-C319 CovalentContact SG-SG 2.02Å; C288-C319 PolarHBondContact SG-SG 3.22Å; E315-C319 PolarHBondContact O-N 3.31Å; M317-C319 VanDerWaalsContact C-N 3.33Å; C319-R321 PolarHBondContact O-N 3.25Å
320	G	93.4	Very high	94.3	Very high	69 Å²	69	63.1 Å²	63.1	71%	0.711	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-2.4	-180	0	0	0	0	0	116.2	E315 C318 G322	E315-G320 PolarHBondContact O-N 2.03Å; C318-G320 VanDerWaalsContact C-N 3.26Å; C318-G320 PolarHBondContact O-N 3.44Å; G320-G322 PolarHBondContact O-N 3.31Å
321	R	95	Very high	94.4	Very high	77 Å²	77	66 Å²	66	29%	0.291	35%	0.351	S	S	.	.	S	Bend	trans	-72	-9.2	178.1	-59.7	-168.8	-59.1	-85.3	-2.9	114	C288 T299 C318 C319 K359	C288-R321 PolarHBondContact O-NH1 2.89Å; C288-R321 VanDerWaalsContact O-NH1 3.08Å; T299-R321 PolarHBondContact OG1-NH2 3.19Å; C318-R321 WeakPolarHBondContact O-CB 3.35Å; C318-R321 PolarHBondContact O-N 3.46Å; C319-R321 PolarHBondContact O-N 3.25Å; R321-K359 PolarHBondContact NE-O 3.25Å; R321-K359 PolarHBondContact NH2-O 2.71Å
322	G	94.7	Very high	94.5	Very high	27 Å²	27	67.2 Å²	67.2	28%	0.278	36%	0.356	S	S	.	.			trans	77.9	-176	-171.4	0	0	0	0	0	113	C318 G320 K359	C318-G322 WeakPolarHBondContact CB-O 3.26Å; G320-G322 PolarHBondContact O-N 3.31Å; G322-K359 PolarHBondContact O-N 2.76Å; G322-K359 VanDerWaalsContact O-N 3.15Å
323	Y	96.4	Very high	94.5	Very high	79 Å²	79	74.4 Å²	74.4	31%	0.31	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.2	-174.9	52.1	-90.3	0	0	0	111.2	K306 C314 Y356 I357	K306-Y323 HydrophobicContact CD-CE2 4.35Å; K306-Y323 WeakPolarHBondContact CD-OH 3.43Å; K306-Y323 WeakPolarHBondContact CE-OH 3.46Å; C314-Y323 HydrophobicContact CB-CD1 3.39Å; C314-Y323 HydrophobicContact CB-CE1 3.54Å; C314-Y323 HydrophobicContact CB-CG 4.06Å; Y323-Y356 AromaticContact CD2-CD1 3.55Å; Y323-Y356 HydrophobicContact CD2-CD1 3.55Å; Y323-Y356 HydrophobicContact CD2-CE1 4.48Å; Y323-Y356 HydrophobicContact CD2-CG 4.15Å; Y323-Y356 AromaticContact CE2-CD1 3.44Å; Y323-Y356 HydrophobicContact CE2-CD1 3.44Å; Y323-Y356 VanDerWaalsContact CE2-CD1 3.44Å; Y323-Y356 AromaticContact CE2-CE1 3.97Å; Y323-Y356 HydrophobicContact CE2-CE1 3.97Å; Y323-Y356 HydrophobicContact CE2-CG 4.25Å; Y323-I357 CarbonylContact C-O 3.58Å; Y323-I357 WeakPolarHBondContact CA-O 3.37Å; Y323-I357 VanDerWaalsContact CB-O 3.3Å; Y323-I357 WeakPolarHBondContact CB-O 3.37Å
324	N	95.8	Very high	94.5	Very high	89 Å²	89	75.1 Å²	75.1	48%	0.476	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	143.2	169.7	-65.2	-33.4	0	0	0	109.2	Y356 I357 K359	N324-Y356 WeakPolarHBondContact O-CA 3.39Å; N324-I357 PolarHBondContact N-O 2.74Å; N324-I357 PolarHBondContact O-N 3.45Å; N324-K359 WeakPolarHBondContact OD1-CE 3Å
325	Q	94.6	Very high	94.5	Very high	104 Å²	104	81.5 Å²	81.5	49%	0.486	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.2	174	179.3	179.6	-15	0	0	109.4	D354 Q355 Y356	Q325-D354 HydrophobicContact CG-CB 4.47Å; Q325-D354 PolarHBondContact NE2-OD1 2.03Å; Q325-Q355 WeakPolarHBondContact CA-O 3.05Å; Q325-Y356 HydrophobicContact CB-CD1 3.96Å; Q325-Y356 HydrophobicContact CB-CE1 3.98Å; Q325-Y356 HydrophobicContact CG-CD1 4.06Å; Q325-Y356 HydrophobicContact CG-CE1 3.69Å
326	F	93.1	Very high	94.5	Very high	78 Å²	78	76.8 Å²	76.8	34%	0.342	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153	170.2	62	-78.4	0	0	0	110	Q355 I357	F326-Q355 HydrophobicContact CD1-CB 4.43Å; F326-Q355 HydrophobicContact CD2-CB 4.38Å; F326-Q355 HydrophobicContact CE1-CB 3.83Å; F326-Q355 HydrophobicContact CE2-CB 3.8Å; F326-Q355 HydrophobicContact CE2-CG 4.46Å; F326-Q355 HydrophobicContact CZ-CB 3.49Å; F326-Q355 VanDerWaalsContact CZ-CB 3.49Å; F326-Q355 HydrophobicContact CZ-CG 4.4Å; F326-Q355 PolarHBondContact N-O 3.44Å; F326-Q355 PolarHBondContact O-N 3.24Å; F326-I357 HydrophobicContact CD1-CD1 4.45Å; F326-I357 HydrophobicContact CE1-CB 4.17Å; F326-I357 HydrophobicContact CE1-CD1 3.28Å; F326-I357 HydrophobicContact CE1-CG1 3.59Å; F326-I357 HydrophobicContact CZ-CD1 3.49Å; F326-I357 VanDerWaalsContact CZ-CD1 3.49Å; F326-I357 HydrophobicContact CZ-CG1 4.09Å
327	K	93.6	Very high	94.5	Very high	158 Å²	158	80.7 Å²	80.7	69%	0.687	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.2	175.6	-67.8	-170.5	175.5	-160.9	0	109.2	I352	K327-I352 HydrophobicContact CB-CG2 3.83Å; K327-I352 HydrophobicContact CD-CG2 3.92Å; K327-I352 HydrophobicContact CG-CG2 4.2Å
328	S	91.1	Very high	94.5	Very high	32 Å²	32	86.4 Å²	86.4	22%	0.224	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.5	176.6	-171.4	0	0	0	0	109.5	Q330 V353 Q355	S328-Q330 PolarHBondContact O-N 2.87Å; S328-V353 PolarHBondContact N-O 3.12Å; S328-V353 PolarHBondContact O-N 2.89Å; S328-Q355 VanDerWaalsContact CB-CD 3.4Å
329	V	93.7	Very high	94.4	Very high	90 Å²	90	90 Å²	90	55%	0.545	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.1	174.4	-177.2	0	0	0	0	107.6	V331 T350 E351 I352	V329-V331 HydrophobicContact CG1-CG2 4.45Å; V329-T350 HydrophobicContact CG1-CG2 4.3Å; V329-E351 CarbonylContact C-O 3.56Å; V329-E351 WeakPolarHBondContact CA-O 3.33Å; V329-I352 HydrophobicContact CG2-CG1 4.47Å
330	Q	91.6	Very high	93.9	Very high	100 Å²	100	99.5 Å²	99.5	47%	0.467	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.8	170.5	-73.1	-161.2	35.6	0	0	109.8	S328 T350 E351 V353	S328-Q330 PolarHBondContact O-N 2.87Å; Q330-T350 WeakPolarHBondContact O-CA 3.42Å; Q330-E351 PolarHBondContact N-O 3.38Å; Q330-E351 PolarHBondContact O-N 3.47Å; Q330-V353 HydrophobicContact CB-CG2 4.33Å; Q330-V353 HydrophobicContact CG-CG2 3.63Å; Q330-V353 VanDerWaalsContact NE2-CG2 3.33Å
331	V	94	Very high	93.2	Very high	91 Å²	91	100.7 Å²	100.7	55%	0.552	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.3	177.3	-171.3	0	0	0	0	108.2	V329 K348 C349 T350	V329-V331 HydrophobicContact CG1-CG2 4.45Å; V331-K348 HydrophobicContact CG1-CB 4.06Å; V331-K348 HydrophobicContact CG1-CD 4.35Å; V331-K348 HydrophobicContact CG1-CG 4.42Å; V331-C349 WeakPolarHBondContact CA-O 3.27Å; V331-T350 HydrophobicContact CG1-CG2 4.44Å; V331-T350 HydrophobicContact CG2-CG2 4.1Å
332	E	94.1	Very high	93	Very high	112 Å²	112	102.5 Å²	102.5	52%	0.523	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	161.3	177.8	61.5	162.7	-152	0	0	112.3	K348 C349	E332-K348 WeakPolarHBondContact O-CA 3.35Å; E332-C349 HydrophobicContact CG-CB 4.37Å; E332-C349 PolarHBondContact N-O 3.31Å; E332-C349 PolarHBondContact O-N 3Å
333	R	94.6	Very high	92.8	Very high	179 Å²	179	106.1 Å²	106.1	68%	0.675	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.3	174.7	-66.1	-178.8	77.1	149.6	1.7	108.2	C346 K347	R333-C346 HydrophobicContact CB-CB 3.88Å; R333-C346 HydrophobicContact CG-CB 4.44Å; R333-K347 WeakPolarHBondContact CA-O 3.1Å
334	C	95	Very high	92.8	Very high	15 Å²	15	105.9 Å²	105.9	10%	0.101	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	168.2	-177.3	64.5	0	0	0	0	110.8	C336 K347 C349	C334-C336 PolarHBondContact O-N 3.37Å; C334-C336 VanDerWaalsContact O-N 3.11Å; C334-K347 PolarHBondContact N-O 2.92Å; C334-K347 PolarHBondContact O-N 2.77Å; C334-C349 HydrophobicContact CB-CB 3.6Å; C334-C349 WeakPolarHBondContact CB-SG 3.19Å; C334-C349 WeakPolarHBondContact SG-CB 3.44Å; C334-C349 PolarHBondContact SG-N 3.25Å; C334-C349 CovalentContact SG-SG 1.99Å; C334-C349 PolarHBondContact SG-SG 3.08Å
335	H	95.8	Very high	92.8	Very high	140 Å²	140	108.4 Å²	108.4	65%	0.648	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48.2	42.6	176.8	-55.9	-62.2	0	0	0	113	K337	H335-K337 PolarHBondContact O-N 2.79Å
336	C	95.9	Very high	92.9	Very high	65 Å²	65	104.8 Å²	104.8	44%	0.439	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.9	179.9	-65.8	0	0	0	0	110.4	C334 V344 K345 C346	C334-C336 PolarHBondContact O-N 3.37Å; C334-C336 VanDerWaalsContact O-N 3.11Å; C336-V344 HydrophobicContact CB-CG1 3.75Å; C336-K345 WeakPolarHBondContact CA-O 3.38Å; C336-C346 HydrophobicContact CB-CB 4.08Å; C336-C346 WeakPolarHBondContact CB-SG 3.31Å; C336-C346 WeakPolarHBondContact SG-CB 3.44Å; C336-C346 CovalentContact SG-SG 2.04Å; C336-C346 PolarHBondContact SG-SG 3.5Å
337	K	94.8	Very high	93.1	Very high	149 Å²	149	108 Å²	108	65%	0.648	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.1	173.1	-65.7	-171.5	178.5	-172.1	0	109.5	H335 H339 K345	H335-K337 PolarHBondContact O-N 2.79Å; K337-H339 PolarHBondContact O-CD2 3.41Å; K337-K345 PolarHBondContact N-O 3.24Å; K337-K345 PolarHBondContact O-N 2.95Å
338	F	95.4	Very high	93.2	Very high	123 Å²	123	109 Å²	109	54%	0.539	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128	169.8	-178.7	-98.7	0	0	0	109.2	W340 V344	F338-W340 HydrophobicContact CE1-CB 4.3Å; F338-W340 HydrophobicContact CE1-CD2 4.4Å; F338-W340 AromaticContact CE1-CE3 3.64Å; F338-W340 HydrophobicContact CE1-CE3 3.64Å; F338-W340 HydrophobicContact CE1-CZ3 4.3Å; F338-W340 HydrophobicContact CZ-CE3 4.46Å; F338-V344 HydrophobicContact CD2-CG2 3.97Å
339	H	93.4	Very high	93.4	Very high	75 Å²	75	109.4 Å²	109.4	35%	0.347	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.2	171.4	-69.5	-91	0	0	0	108	K337 C341 C342 F343	K337-H339 PolarHBondContact O-CD2 3.41Å; H339-C341 CarbonylContact O-C 3.6Å; H339-C341 PolarHBondContact O-N 3Å; H339-C342 PolarHBondContact O-N 2.81Å; H339-F343 HydrophobicContact CB-CD1 4.38Å; H339-F343 HydrophobicContact CB-CD2 4.16Å; H339-F343 HydrophobicContact CB-CE1 3.97Å; H339-F343 HydrophobicContact CB-CE2 3.73Å; H339-F343 HydrophobicContact CB-CG 4.47Å; H339-F343 HydrophobicContact CB-CZ 3.62Å; H339-F343 AromaticContact CD2-CE2 3.57Å; H339-F343 AromaticContact CG-CE2 3.67Å; H339-F343 AromaticContact CG-CZ 3.84Å; H339-F343 PolarHBondContact N-O 2.77Å
340	W	86.3	Confident	93.5	Very high	237 Å²	237	109.9 Å²	109.9	90%	0.898	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	124.2	173.1	-165.2	-96.4	0	0	0	107.9	F338	F338-W340 HydrophobicContact CE1-CB 4.3Å; F338-W340 HydrophobicContact CE1-CD2 4.4Å; F338-W340 AromaticContact CE1-CE3 3.64Å; F338-W340 HydrophobicContact CE1-CE3 3.64Å; F338-W340 HydrophobicContact CE1-CZ3 4.3Å; F338-W340 HydrophobicContact CZ-CE3 4.46Å
341	C	77.9	Confident	93.6	Very high	94 Å²	94	110.5 Å²	110.5	64%	0.635	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.7	21.2	-152	104.3	0	0	0	0	116.4	H339	H339-C341 CarbonylContact O-C 3.6Å; H339-C341 PolarHBondContact O-N 3Å
342	C	90.2	Very high	93.6	Very high	115 Å²	115	111.7 Å²	111.7	78%	0.777	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	28.4	149.3	-51.1	0	0	0	0	117.8	H339	H339-C342 PolarHBondContact O-N 2.81Å
343	F	92.2	Very high	93.5	Very high	103 Å²	103	107.8 Å²	107.8	45%	0.452	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.1	169.9	65	-88	0	0	0	112.9	H339 K345	H339-F343 HydrophobicContact CB-CD1 4.38Å; H339-F343 HydrophobicContact CB-CD2 4.16Å; H339-F343 HydrophobicContact CB-CE1 3.97Å; H339-F343 HydrophobicContact CB-CE2 3.73Å; H339-F343 HydrophobicContact CB-CG 4.47Å; H339-F343 HydrophobicContact CB-CZ 3.62Å; H339-F343 AromaticContact CD2-CE2 3.57Å; H339-F343 AromaticContact CG-CE2 3.67Å; H339-F343 AromaticContact CG-CZ 3.84Å; H339-F343 PolarHBondContact N-O 2.77Å; F343-K345 HydrophobicContact CD2-CB 4.45Å; F343-K345 HydrophobicContact CE2-CB 4.37Å
344	V	95.6	Very high	93.5	Very high	74 Å²	74	102.7 Å²	102.7	45%	0.448	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.3	173.2	-179.3	0	0	0	0	108.3	C336 F338	C336-V344 HydrophobicContact CB-CG1 3.75Å; F338-V344 HydrophobicContact CD2-CG2 3.97Å
345	K	95.5	Very high	93.4	Very high	142 Å²	142	104 Å²	104	62%	0.617	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.7	173.1	-168.2	172.6	-178.4	174.5	0	108.6	C336 K337 F343	C336-K345 WeakPolarHBondContact CA-O 3.38Å; K337-K345 PolarHBondContact N-O 3.24Å; K337-K345 PolarHBondContact O-N 2.95Å; F343-K345 HydrophobicContact CD2-CB 4.45Å; F343-K345 HydrophobicContact CE2-CB 4.37Å
346	C	97.1	Very high	93.4	Very high	28 Å²	28	99 Å²	99	19%	0.189	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	152.4	175	-52.3	0	0	0	0	109.9	R333 C336	R333-C346 HydrophobicContact CB-CB 3.88Å; R333-C346 HydrophobicContact CG-CB 4.44Å; C336-C346 HydrophobicContact CB-CB 4.08Å; C336-C346 WeakPolarHBondContact CB-SG 3.31Å; C336-C346 WeakPolarHBondContact SG-CB 3.44Å; C336-C346 CovalentContact SG-SG 2.04Å; C336-C346 PolarHBondContact SG-SG 3.5Å
347	K	96.6	Very high	93.4	Very high	147 Å²	147	98 Å²	98	64%	0.639	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	156.9	163.3	-64.6	-177	179.2	-177.3	0	108.8	R333 C334	R333-K347 WeakPolarHBondContact CA-O 3.1Å; C334-K347 PolarHBondContact N-O 2.92Å; C334-K347 PolarHBondContact O-N 2.77Å
348	K	95.9	Very high	93.5	Very high	178 Å²	178	91 Å²	91	77%	0.774	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.1	166.1	-68.2	-177.2	179.2	-178.8	0	107.1	V331 E332	V331-K348 HydrophobicContact CG1-CB 4.06Å; V331-K348 HydrophobicContact CG1-CD 4.35Å; V331-K348 HydrophobicContact CG1-CG 4.42Å; E332-K348 WeakPolarHBondContact O-CA 3.35Å
349	C	95.7	Very high	93.5	Very high	40 Å²	40	90.6 Å²	90.6	27%	0.27	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.2	169.2	-75.1	0	0	0	0	108.6	V331 E332 C334	V331-C349 WeakPolarHBondContact CA-O 3.27Å; E332-C349 HydrophobicContact CG-CB 4.37Å; E332-C349 PolarHBondContact N-O 3.31Å; E332-C349 PolarHBondContact O-N 3Å; C334-C349 HydrophobicContact CB-CB 3.6Å; C334-C349 WeakPolarHBondContact CB-SG 3.19Å; C334-C349 WeakPolarHBondContact SG-CB 3.44Å; C334-C349 PolarHBondContact SG-N 3.25Å; C334-C349 CovalentContact SG-SG 1.99Å; C334-C349 PolarHBondContact SG-SG 3.08Å
350	T	95	Very high	93.5	Very high	100 Å²	100	91.4 Å²	91.4	61%	0.613	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.3	175	55.2	0	0	0	0	108.1	V329 Q330 V331	V329-T350 HydrophobicContact CG1-CG2 4.3Å; Q330-T350 WeakPolarHBondContact O-CA 3.42Å; V331-T350 HydrophobicContact CG1-CG2 4.44Å; V331-T350 HydrophobicContact CG2-CG2 4.1Å
351	E	94.4	Very high	93.9	Very high	114 Å²	114	83.7 Å²	83.7	53%	0.533	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.6	174	-169.9	178.2	-174.9	0	0	109.1	V329 Q330 V353	V329-E351 CarbonylContact C-O 3.56Å; V329-E351 WeakPolarHBondContact CA-O 3.33Å; Q330-E351 PolarHBondContact N-O 3.38Å; Q330-E351 PolarHBondContact O-N 3.47Å; E351-V353 HydrophobicContact CB-CG1 4.33Å; E351-V353 HydrophobicContact CG-CG1 3.81Å
352	I	93.8	Very high	94.8	Very high	116 Å²	116	83.1 Å²	83.1	60%	0.595	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	110.2	173.2	-57.2	175.2	0	0	0	106.9	K327 V329	K327-I352 HydrophobicContact CB-CG2 3.83Å; K327-I352 HydrophobicContact CD-CG2 3.92Å; K327-I352 HydrophobicContact CG-CG2 4.2Å; V329-I352 HydrophobicContact CG2-CG1 4.47Å
353	V	93.3	Very high	95	Very high	29 Å²	29	81.2 Å²	81.2	18%	0.176	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.4	-179.8	-58.7	0	0	0	0	110.9	S328 Q330 E351 Q355	S328-V353 PolarHBondContact N-O 3.12Å; S328-V353 PolarHBondContact O-N 2.89Å; Q330-V353 HydrophobicContact CB-CG2 4.33Å; Q330-V353 HydrophobicContact CG-CG2 3.63Å; Q330-V353 VanDerWaalsContact NE2-CG2 3.33Å; E351-V353 HydrophobicContact CB-CG1 4.33Å; E351-V353 HydrophobicContact CG-CG1 3.81Å; V353-Q355 HydrophobicContact CG2-CG 4.44Å; V353-Q355 PolarHBondContact O-N 3.44Å
354	D	93.2	Very high	95.2	Very high	72 Å²	72	79.9 Å²	79.9	39%	0.385	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124	171.9	-69.7	-54.6	0	0	0	109.8	Q325 Y356	Q325-D354 HydrophobicContact CG-CB 4.47Å; Q325-D354 PolarHBondContact NE2-OD1 2.03Å; D354-Y356 HydrophobicContact CB-CE2 4.16Å
355	Q	94.1	Very high	95.2	Very high	43 Å²	43	80.3 Å²	80.3	20%	0.201	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.4	171.8	-71.5	-171.1	-16.9	0	0	110.1	L303 Q325 F326 S328 V353	L303-Q355 HydrophobicContact CD2-CB 4.24Å; Q325-Q355 WeakPolarHBondContact CA-O 3.05Å; F326-Q355 HydrophobicContact CD1-CB 4.43Å; F326-Q355 HydrophobicContact CD2-CB 4.38Å; F326-Q355 HydrophobicContact CE1-CB 3.83Å; F326-Q355 HydrophobicContact CE2-CB 3.8Å; F326-Q355 HydrophobicContact CE2-CG 4.46Å; F326-Q355 HydrophobicContact CZ-CB 3.49Å; F326-Q355 VanDerWaalsContact CZ-CB 3.49Å; F326-Q355 HydrophobicContact CZ-CG 4.4Å; F326-Q355 PolarHBondContact N-O 3.44Å; F326-Q355 PolarHBondContact O-N 3.24Å; S328-Q355 VanDerWaalsContact CB-CD 3.4Å; V353-Q355 HydrophobicContact CG2-CG 4.44Å; V353-Q355 PolarHBondContact O-N 3.44Å
356	Y	95.9	Very high	95.2	Very high	35 Å²	35	75.9 Å²	75.9	14%	0.137	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.1	-179.2	-53.4	-82.8	0	0	0	109.2	L303 C304 K306 Y323 N324 Q325 D354	L303-Y356 WeakPolarHBondContact CA-O 3.33Å; C304-Y356 PolarHBondContact N-O 2.65Å; K306-Y356 HydrophobicContact CB-CD1 4.33Å; K306-Y356 HydrophobicContact CB-CD2 3.77Å; K306-Y356 HydrophobicContact CB-CE1 4.15Å; K306-Y356 HydrophobicContact CB-CE2 3.6Å; K306-Y356 HydrophobicContact CB-CG 4.14Å; K306-Y356 HydrophobicContact CD-CD1 4.32Å; K306-Y356 HydrophobicContact CD-CE1 3.56Å; K306-Y356 HydrophobicContact CD-CE2 4.23Å; K306-Y356 WeakPolarHBondContact CD-OH 3.49Å; K306-Y356 HydrophobicContact CG-CE1 4.45Å; Y323-Y356 AromaticContact CD2-CD1 3.55Å; Y323-Y356 HydrophobicContact CD2-CD1 3.55Å; Y323-Y356 HydrophobicContact CD2-CE1 4.48Å; Y323-Y356 HydrophobicContact CD2-CG 4.15Å; Y323-Y356 AromaticContact CE2-CD1 3.44Å; Y323-Y356 HydrophobicContact CE2-CD1 3.44Å; Y323-Y356 VanDerWaalsContact CE2-CD1 3.44Å; Y323-Y356 AromaticContact CE2-CE1 3.97Å; Y323-Y356 HydrophobicContact CE2-CE1 3.97Å; Y323-Y356 HydrophobicContact CE2-CG 4.25Å; N324-Y356 WeakPolarHBondContact O-CA 3.39Å; Q325-Y356 HydrophobicContact CB-CD1 3.96Å; Q325-Y356 HydrophobicContact CB-CE1 3.98Å; Q325-Y356 HydrophobicContact CG-CD1 4.06Å; Q325-Y356 HydrophobicContact CG-CE1 3.69Å; D354-Y356 HydrophobicContact CB-CE2 4.16Å
357	I	95.9	Very high	95	Very high	44 Å²	44	79.5 Å²	79.5	23%	0.226	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.6	-180	-76.8	177.6	0	0	0	110.3	R302 L303 Y323 N324 F326	R302-I357 CarbonylContact O-C 3.37Å; R302-I357 VanDerWaalsContact O-CA 3.31Å; R302-I357 WeakPolarHBondContact O-CA 3.12Å; L303-I357 HydrophobicContact CD2-CD1 4.29Å; L303-I357 HydrophobicContact CD2-CG1 3.77Å; L303-I357 HydrophobicContact CG-CG1 4.42Å; Y323-I357 CarbonylContact C-O 3.58Å; Y323-I357 WeakPolarHBondContact CA-O 3.37Å; Y323-I357 VanDerWaalsContact CB-O 3.3Å; Y323-I357 WeakPolarHBondContact CB-O 3.37Å; N324-I357 PolarHBondContact N-O 2.74Å; N324-I357 PolarHBondContact O-N 3.45Å; F326-I357 HydrophobicContact CD1-CD1 4.45Å; F326-I357 HydrophobicContact CE1-CB 4.17Å; F326-I357 HydrophobicContact CE1-CD1 3.28Å; F326-I357 HydrophobicContact CE1-CG1 3.59Å; F326-I357 HydrophobicContact CZ-CD1 3.49Å; F326-I357 VanDerWaalsContact CZ-CD1 3.49Å; F326-I357 HydrophobicContact CZ-CG1 4.09Å
358	C	96.3	Very high	94.9	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.014	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.4	177	-62.2	0	0	0	0	112.7	T299 G301 R302 C318	T299-C358 VanDerWaalsContact O-CB 3.24Å; T299-C358 WeakPolarHBondContact O-CB 3.49Å; G301-C358 PolarHBondContact N-O 3.41Å; R302-C358 PolarHBondContact O-N 2.89Å; C318-C358 WeakPolarHBondContact CA-SG 3.5Å; C318-C358 HydrophobicContact CB-CB 3.59Å; C318-C358 WeakPolarHBondContact CB-SG 3.28Å; C318-C358 PolarHBondContact N-SG 2.91Å; C318-C358 WeakPolarHBondContact SG-CA 3.36Å; C318-C358 WeakPolarHBondContact SG-CB 3.25Å; C318-C358 CovalentContact SG-SG 2.04Å; C318-C358 PolarHBondContact SG-SG 2.96Å
359	K	94.9	Very high	94.8	Very high	114 Å²	114	64.5 Å²	64.5	50%	0.496	33%	0.331	S	S	.	.			trans	-69.3	0	176.8	-70	-179.2	-179.6	179	0	113.3	Q300 R321 G322 N324	Q300-K359 VanDerWaalsContact CG-OXT 3.31Å; Q300-K359 WeakPolarHBondContact CG-OXT 3.19Å; Q300-K359 PolarHBondContact NE2-OXT 3.44Å; R321-K359 PolarHBondContact NE-O 3.25Å; R321-K359 PolarHBondContact NH2-O 2.71Å; G322-K359 PolarHBondContact O-N 2.76Å; G322-K359 VanDerWaalsContact O-N 3.15Å; N324-K359 WeakPolarHBondContact OD1-CE 3Å

Retrieved 359 of 359 residues in 2094.2 ms (Link to these results)

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