A0A087YS56_POEFO Loading...

Gap junction protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell.

AlphaFold DB , UniProt , Accession A0A087YS56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 261 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	35.7	Very low	48.7	Very low	196 Å²	196	116 Å²	116	100%	1.188	67%	0.668	S	S	*	*				0	105.1	0	-179.1	0	0	0	0	107.6	T3	V1-T3 PolarHBondContact O-N 3.27Å
2	T	40.6	Very low	49.1	Very low	136 Å²	136	116.2 Å²	116.2	83%	0.834	66%	0.659	S	S	*	*			trans	-69.5	112.6	-177	43.8	0	0	0	0	109.9	M4	T2-M4 PolarHBondContact O-N 2.67Å; T2-M4 VanDerWaalsContact O-N 3.15Å
3	T	46.7	Very low	49.4	Very low	132 Å²	132	111.4 Å²	111.4	81%	0.81	63%	0.63	S	S	*	*			trans	-62	110.2	171.6	44.2	0	0	0	0	108.7	V1 S5	V1-T3 PolarHBondContact O-N 3.27Å; T3-S5 PolarHBondContact O-N 2.71Å
4	M	46.3	Very low	49.2	Very low	181 Å²	181	106.7 Å²	106.7	89%	0.892	62%	0.619	S	S	*	*			trans	-62.1	113	166.6	-70.8	-160.9	83.9	0	0	107.2	T2 W6	T2-M4 PolarHBondContact O-N 2.67Å; T2-M4 VanDerWaalsContact O-N 3.15Å; M4-W6 PolarHBondContact O-N 2.91Å
5	S	52.7	Low	48.9	Very low	80 Å²	80	104.1 Å²	104.1	56%	0.559	62%	0.623	S	S	*	*			trans	-67.9	108.9	-176.7	57.3	0	0	0	0	109.2	T3 G7 A8	T3-S5 PolarHBondContact O-N 2.71Å; S5-G7 PolarHBondContact O-N 2.6Å; S5-A8 WeakPolarHBondContact O-CB 3.1Å; S5-A8 PolarHBondContact O-N 3.24Å
6	W	52.1	Low	48.9	Very low	158 Å²	158	103.8 Å²	103.8	60%	0.598	62%	0.622	S	S	*	*	H	α-helix	trans	-48.3	-30	171.6	-113.5	115.4	0	0	0	111.8	M4 A8 L9 Y10	M4-W6 PolarHBondContact O-N 2.91Å; W6-A8 PolarHBondContact O-N 3.14Å; W6-L9 HydrophobicContact CE3-CB 4.23Å; W6-L9 HydrophobicContact CE3-CD2 3.91Å; W6-L9 HydrophobicContact CH2-CD2 3.77Å; W6-L9 HydrophobicContact CZ3-CB 4.47Å; W6-L9 HydrophobicContact CZ3-CD2 3.42Å; W6-L9 VanDerWaalsContact CZ3-CD2 3.42Å; W6-L9 HydrophobicContact CZ3-CG 4.48Å; W6-L9 PolarHBondContact O-N 3.11Å; W6-Y10 HydrophobicContact CE3-CD2 4.49Å; W6-Y10 WeakPolarHBondContact O-CB 3.19Å; W6-Y10 PolarHBondContact O-N 2.02Å
7	G	48.5	Very low	48.4	Very low	52 Å²	52	104 Å²	104	54%	0.536	62%	0.619	S	S	.	*	H	α-helix	trans	-62.1	-32.3	173.7	0	0	0	0	0	115.3	S5 A11	S5-G7 PolarHBondContact O-N 2.6Å; G7-A11 VanDerWaalsContact O-CB 3.23Å; G7-A11 WeakPolarHBondContact O-CB 3.46Å; G7-A11 PolarHBondContact O-N 2.9Å
8	A	54.6	Low	48	Very low	48 Å²	48	108.5 Å²	108.5	40%	0.397	63%	0.63	S	S	.	*	H	α-helix	trans	-72.6	-38.6	175.6	0	0	0	0	0	111.6	S5 W6 A11 Q12	S5-A8 WeakPolarHBondContact O-CB 3.1Å; S5-A8 PolarHBondContact O-N 3.24Å; W6-A8 PolarHBondContact O-N 3.14Å; A8-A11 PolarHBondContact O-N 3.4Å; A8-Q12 PolarHBondContact O-N 2.83Å
9	L	52.1	Low	47.6	Very low	71 Å²	71	110.8 Å²	110.8	37%	0.372	63%	0.634	S	S	.	*	H	α-helix	trans	-64.2	-44.1	172.2	-158.1	86.8	0	0	0	110.5	W6 A11 Q12 L13	W6-L9 HydrophobicContact CE3-CB 4.23Å; W6-L9 HydrophobicContact CE3-CD2 3.91Å; W6-L9 HydrophobicContact CH2-CD2 3.77Å; W6-L9 HydrophobicContact CZ3-CB 4.47Å; W6-L9 HydrophobicContact CZ3-CD2 3.42Å; W6-L9 VanDerWaalsContact CZ3-CD2 3.42Å; W6-L9 HydrophobicContact CZ3-CG 4.48Å; W6-L9 PolarHBondContact O-N 3.11Å; L9-A11 PolarHBondContact O-N 2.03Å; L9-Q12 PolarHBondContact O-N 3.28Å; L9-L13 HydrophobicContact CD2-CD1 4.13Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.19Å
10	Y	53	Low	47.1	Very low	154 Å²	154	109.2 Å²	109.2	60%	0.604	63%	0.629	S	S	*	*	H	α-helix	trans	-65.5	-35.6	177.1	-139	-90.2	0	0	0	112.4	W6 L13 G14	W6-Y10 HydrophobicContact CE3-CD2 4.49Å; W6-Y10 WeakPolarHBondContact O-CB 3.19Å; W6-Y10 PolarHBondContact O-N 2.02Å; Y10-L13 PolarHBondContact O-N 2.98Å; Y10-G14 WeakPolarHBondContact O-CA 3.31Å; Y10-G14 PolarHBondContact O-N 3.2Å
11	A	53.2	Low	47.2	Very low	68 Å²	68	109.8 Å²	109.8	56%	0.562	64%	0.635	S	S	*	*	H	α-helix	trans	-71.2	-35.4	174.8	0	0	0	0	0	112.4	G7 A8 L9 G15	G7-A11 VanDerWaalsContact O-CB 3.23Å; G7-A11 WeakPolarHBondContact O-CB 3.46Å; G7-A11 PolarHBondContact O-N 2.9Å; A8-A11 PolarHBondContact O-N 3.4Å; L9-A11 PolarHBondContact O-N 2.03Å; A11-G15 PolarHBondContact O-N 2.91Å
12	Q	54.1	Low	48.4	Very low	118 Å²	118	102.5 Å²	102.5	55%	0.551	59%	0.593	S	S	*	*	H	α-helix	trans	-71	-35.8	172.2	-85.6	-179.9	-90.9	0	0	112.6	A8 L9	A8-Q12 PolarHBondContact O-N 2.83Å; L9-Q12 PolarHBondContact O-N 3.28Å
13	L	52.5	Low	49.2	Very low	54 Å²	54	101.8 Å²	101.8	28%	0.283	58%	0.583	S	S	.	*	H	α-helix	trans	-74.5	-39.8	175.1	-70.6	165.8	0	0	0	111.9	L9 Y10	L9-L13 HydrophobicContact CD2-CD1 4.13Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.19Å; Y10-L13 PolarHBondContact O-N 2.98Å
14	G	47.3	Very low	50	Low	46 Å²	46	96.5 Å²	96.5	47%	0.474	56%	0.555	S	S	.	*	H	α-helix	trans	-77.3	-22.8	-179.2	0	0	0	0	0	114.8	Y10 V16 N17	Y10-G14 WeakPolarHBondContact O-CA 3.31Å; Y10-G14 PolarHBondContact O-N 3.2Å; G14-V16 PolarHBondContact O-N 2.88Å; G14-V16 VanDerWaalsContact O-N 3.07Å; G14-N17 PolarHBondContact O-N 2.05Å
15	G	43.8	Very low	51.3	Low	67 Å²	67	91 Å²	91	69%	0.691	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-5	178.2	0	0	0	0	0	115.3	A11	A11-G15 PolarHBondContact O-N 2.91Å
16	V	48.9	Very low	52.5	Low	100 Å²	100	91.1 Å²	91.1	61%	0.606	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.5	179.7	-173.7	0	0	0	0	112.3	G14 K25	G14-V16 PolarHBondContact O-N 2.88Å; G14-V16 VanDerWaalsContact O-N 3.07Å; V16-K25 HydrophobicContact CG1-CD 4.42Å
17	N	41.4	Very low	53.9	Low	107 Å²	107	90.2 Å²	90.2	57%	0.572	52%	0.516	S	S	*	.			trans	-103.7	21.5	-161	-153.8	23.2	0	0	0	117	G14	G14-N17 PolarHBondContact O-N 2.05Å
18	K	40.5	Very low	55.4	Low	185 Å²	185	88.3 Å²	88.3	80%	0.804	49%	0.494	S	S	*	.	S	Bend	trans	-118.7	98	177.2	-98.1	-178.2	175.7	176.1	0	113.8
19	H	41.1	Very low	56.8	Low	153 Å²	153	87.8 Å²	87.8	71%	0.708	49%	0.487	S	S	*	.	S	Bend	trans	87.8	93.3	155.5	-56.8	-69.3	0	0	0	118.3	R127	H19-R127 PolarHBondContact O-NE 3.06Å; H19-R127 PolarHBondContact O-NH2 3.31Å
20	S	37.1	Very low	58.5	Low	78 Å²	78	88 Å²	88	55%	0.545	49%	0.491	S	S	.	.	S	Bend	trans	108.2	101.4	143.7	154.6	0	0	0	0	116.9	R127	S20-R127 VanDerWaalsContact CA-NH2 3.31Å; S20-R127 PolarHBondContact O-NH1 2.88Å; S20-R127 PolarHBondContact O-NH2 2.92Å; S20-R127 PolarHBondContact OG-NH2 3.43Å
21	T	48.7	Very low	60.2	Low	121 Å²	121	81.5 Å²	81.5	74%	0.742	47%	0.466	S	S	*	.			trans	42.3	88.6	164.6	45.1	0	0	0	0	117.8
22	S	60.7	Low	61.9	Low	44 Å²	44	80.3 Å²	80.3	31%	0.308	45%	0.449	S	S	.	.			trans	-135.7	76.2	145.3	-58.1	0	0	0	0	107.1	G24 K25 I26	S22-G24 PolarHBondContact O-N 2.74Å; S22-G24 VanDerWaalsContact O-N 3.14Å; S22-K25 PolarHBondContact O-N 3.21Å; S22-I26 PolarHBondContact O-N 3.43Å
23	L	57.8	Low	63.6	Low	120 Å²	120	78.1 Å²	78.1	63%	0.628	44%	0.44	S	S	*	.	H	α-helix	trans	-46.2	-42.9	174.2	-81.6	161.1	0	0	0	110.1	K25 I26 W27	L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 2.9Å; L23-I26 PolarHBondContact O-N 2.79Å; L23-W27 WeakPolarHBondContact O-CB 2.98Å; L23-W27 PolarHBondContact O-N 2.87Å
24	G	64.4	Low	65.5	Low	21 Å²	21	80 Å²	80	22%	0.216	45%	0.446	C	S	.	.	H	α-helix	trans	-54.7	-39.3	173.3	0	0	0	0	0	114.7	S22 L28	S22-G24 PolarHBondContact O-N 2.74Å; S22-G24 VanDerWaalsContact O-N 3.14Å; G24-L28 WeakPolarHBondContact O-CB 3.47Å; G24-L28 WeakPolarHBondContact O-CD1 3.4Å; G24-L28 WeakPolarHBondContact O-CG 3.06Å; G24-L28 PolarHBondContact O-N 3.17Å
25	K	72.1	Confident	67.7	Low	67 Å²	67	77.9 Å²	77.9	29%	0.291	42%	0.424	S	S	.	.	H	α-helix	trans	-72.4	-38.2	178.8	-68.3	179.9	-176	168.9	0	112.9	V16 S22 L23 S29 Y138 E211	V16-K25 HydrophobicContact CG1-CD 4.42Å; S22-K25 PolarHBondContact O-N 3.21Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 2.9Å; K25-S29 WeakPolarHBondContact O-CB 3.04Å; K25-S29 PolarHBondContact O-N 3.07Å; K25-Y138 WeakPolarHBondContact CE-OH 3.47Å; K25-E211 WeakPolarHBondContact CE-OE1 3.29Å
26	I	78.3	Confident	70	Confident	81 Å²	81	76.8 Å²	76.8	42%	0.415	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-50.8	175.9	-62.5	169.4	0	0	0	108.9	S22 L23 L28 S29 V30	S22-I26 PolarHBondContact O-N 3.43Å; L23-I26 PolarHBondContact O-N 2.79Å; I26-L28 PolarHBondContact O-N 3.39Å; I26-S29 PolarHBondContact O-N 3.4Å; I26-S29 VanDerWaalsContact O-N 3.16Å; I26-V30 HydrophobicContact CG2-CG2 4.4Å; I26-V30 WeakPolarHBondContact O-CG2 2.93Å; I26-V30 PolarHBondContact O-N 3.47Å
27	W	81.1	Confident	72	Confident	139 Å²	139	75.4 Å²	75.4	53%	0.527	39%	0.394	S	S	.	.	H	α-helix	trans	-62.8	-41.3	178.9	-78.3	106.2	0	0	0	112.7	L23 S29 V30 L31 L207	L23-W27 WeakPolarHBondContact O-CB 2.98Å; L23-W27 PolarHBondContact O-N 2.87Å; W27-S29 VanDerWaalsContact C-N 3.32Å; W27-S29 PolarHBondContact O-N 3.42Å; W27-V30 PolarHBondContact O-N 3.24Å; W27-L31 WeakPolarHBondContact O-CB 3.05Å; W27-L31 VanDerWaalsContact O-CG 3.24Å; W27-L31 WeakPolarHBondContact O-CG 3.5Å; W27-L31 PolarHBondContact O-N 2.89Å; W27-L207 HydrophobicContact CB-CD1 3.77Å
28	L	81.2	Confident	74.4	Confident	13 Å²	13	70.9 Å²	70.9	7%	0.068	37%	0.369	C	S	.	.	H	α-helix	trans	-61	-40.3	173.8	-76.2	169.6	0	0	0	111.9	G24 I26 F32 C204 L207	G24-L28 WeakPolarHBondContact O-CB 3.47Å; G24-L28 WeakPolarHBondContact O-CD1 3.4Å; G24-L28 WeakPolarHBondContact O-CG 3.06Å; G24-L28 PolarHBondContact O-N 3.17Å; I26-L28 PolarHBondContact O-N 3.39Å; L28-F32 WeakPolarHBondContact O-CB 3.24Å; L28-F32 PolarHBondContact O-N 2.98Å; L28-C204 HydrophobicContact CD2-CB 4.24Å; L28-L207 HydrophobicContact CD2-CB 4.02Å; L28-L207 HydrophobicContact CD2-CD1 4.29Å; L28-L207 HydrophobicContact CG-CB 4.21Å; L28-L207 HydrophobicContact CG-CD1 4.31Å
29	S	84.1	Confident	76.9	Confident	37 Å²	37	62.7 Å²	62.7	26%	0.259	33%	0.334	S	S	.	.	H	α-helix	trans	-67.7	-42	175.9	-171.2	0	0	0	0	112.2	K25 I26 W27 F32 I33	K25-S29 WeakPolarHBondContact O-CB 3.04Å; K25-S29 PolarHBondContact O-N 3.07Å; I26-S29 PolarHBondContact O-N 3.4Å; I26-S29 VanDerWaalsContact O-N 3.16Å; W27-S29 VanDerWaalsContact C-N 3.32Å; W27-S29 PolarHBondContact O-N 3.42Å; S29-F32 PolarHBondContact O-N 3.2Å; S29-I33 WeakPolarHBondContact O-CG1 3.48Å; S29-I33 PolarHBondContact O-N 3.35Å
30	V	87.5	Confident	79.3	Confident	74 Å²	74	60.1 Å²	60.1	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-47.2	178.1	169.7	0	0	0	0	110.5	I26 W27 F32 I33 F34	I26-V30 HydrophobicContact CG2-CG2 4.4Å; I26-V30 WeakPolarHBondContact O-CG2 2.93Å; I26-V30 PolarHBondContact O-N 3.47Å; W27-V30 PolarHBondContact O-N 3.24Å; V30-F32 VanDerWaalsContact C-N 3.3Å; V30-F32 PolarHBondContact O-N 3.02Å; V30-I33 PolarHBondContact O-N 3.42Å; V30-F34 WeakPolarHBondContact O-CB 3.49Å; V30-F34 PolarHBondContact O-N 3.4Å
31	L	88.7	Confident	81.8	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-37.1	177.1	-69.9	169.2	0	0	0	111.8	W27 F34 R35 I203 C204 L207	W27-L31 WeakPolarHBondContact O-CB 3.05Å; W27-L31 VanDerWaalsContact O-CG 3.24Å; W27-L31 WeakPolarHBondContact O-CG 3.5Å; W27-L31 PolarHBondContact O-N 2.89Å; L31-F34 PolarHBondContact O-N 2.96Å; L31-R35 VanDerWaalsContact O-CG 3.29Å; L31-R35 WeakPolarHBondContact O-CG 3.07Å; L31-R35 PolarHBondContact O-N 3.45Å; L31-I203 HydrophobicContact CD1-CB 4.21Å; L31-I203 HydrophobicContact CD1-CG2 3.57Å; L31-C204 VanDerWaalsContact CB-SG 3.6Å; L31-L207 HydrophobicContact CD1-CD1 3.71Å
32	F	88.4	Confident	83.8	Confident	44 Å²	44	55.6 Å²	55.6	19%	0.193	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-45.7	175.7	-175.3	-101.1	0	0	0	112.2	L28 S29 V30 R35 I36 L84 S88	L28-F32 WeakPolarHBondContact O-CB 3.24Å; L28-F32 PolarHBondContact O-N 2.98Å; S29-F32 PolarHBondContact O-N 3.2Å; V30-F32 VanDerWaalsContact C-N 3.3Å; V30-F32 PolarHBondContact O-N 3.02Å; F32-R35 PolarHBondContact O-N 3.21Å; F32-I36 HydrophobicContact CD1-CD1 3.93Å; F32-I36 HydrophobicContact CE1-CD1 3.39Å; F32-I36 HydrophobicContact CE1-CG1 4.33Å; F32-I36 HydrophobicContact CZ-CD1 3.86Å; F32-I36 HydrophobicContact CZ-CG1 4.48Å; F32-I36 PolarHBondContact O-N 2.71Å; F32-I36 VanDerWaalsContact O-N 3.12Å; F32-L84 HydrophobicContact CD2-CD2 4.16Å; F32-L84 HydrophobicContact CE2-CD2 3.9Å; F32-S88 WeakPolarHBondContact CE2-OG 3.26Å; F32-S88 WeakPolarHBondContact CZ-OG 3.45Å
33	I	90.1	Very high	85.1	Confident	72 Å²	72	55.3 Å²	55.3	37%	0.369	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-46.1	175.7	-66.8	165.2	0	0	0	110.3	S29 V30 R35 I36 T37	S29-I33 WeakPolarHBondContact O-CG1 3.48Å; S29-I33 PolarHBondContact O-N 3.35Å; V30-I33 PolarHBondContact O-N 3.42Å; I33-R35 VanDerWaalsContact C-N 3.28Å; I33-R35 PolarHBondContact O-N 2.97Å; I33-I36 PolarHBondContact O-N 2.99Å; I33-I36 VanDerWaalsContact O-N 3.1Å; I33-T37 PolarHBondContact O-N 3.28Å; I33-T37 PolarHBondContact O-OG1 3.43Å
34	F	92.6	Very high	86.2	Confident	92 Å²	92	57.9 Å²	57.9	40%	0.404	30%	0.303	S	S	.	.	H	α-helix	trans	-54.8	-42.8	176.6	174.8	-109.4	0	0	0	112.4	V30 L31 T37 I38	V30-F34 WeakPolarHBondContact O-CB 3.49Å; V30-F34 PolarHBondContact O-N 3.4Å; L31-F34 PolarHBondContact O-N 2.96Å; F34-T37 PolarHBondContact O-N 3.08Å; F34-I38 HydrophobicContact CD1-CD1 3.82Å; F34-I38 HydrophobicContact CD2-CD1 4.29Å; F34-I38 HydrophobicContact CE1-CD1 3.26Å; F34-I38 HydrophobicContact CE1-CG1 4.45Å; F34-I38 HydrophobicContact CE2-CD1 3.77Å; F34-I38 HydrophobicContact CE2-CG1 4.26Å; F34-I38 HydrophobicContact CG-CD1 4.32Å; F34-I38 HydrophobicContact CZ-CD1 3.25Å; F34-I38 HydrophobicContact CZ-CG1 4.2Å; F34-I38 PolarHBondContact O-N 3.18Å
35	R	93.1	Very high	87.3	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-40.6	176.1	-73	179.6	75.3	168.5	8.8	112.8	L31 F32 I33 T37 I38 L39 Q83 L84 E149 M197 S201	L31-R35 VanDerWaalsContact O-CG 3.29Å; L31-R35 WeakPolarHBondContact O-CG 3.07Å; L31-R35 PolarHBondContact O-N 3.45Å; F32-R35 PolarHBondContact O-N 3.21Å; I33-R35 VanDerWaalsContact C-N 3.28Å; I33-R35 PolarHBondContact O-N 2.97Å; R35-T37 VanDerWaalsContact C-N 3.34Å; R35-I38 PolarHBondContact O-N 3.29Å; R35-L39 WeakPolarHBondContact O-CB 3.09Å; R35-L39 WeakPolarHBondContact O-CG 3.21Å; R35-L39 PolarHBondContact O-N 3.42Å; R35-Q83 VanDerWaalsContact NH2-OE1 3.14Å; R35-L84 HydrophobicContact CB-CD1 4.4Å; R35-L84 HydrophobicContact CB-CD2 4.03Å; R35-E149 IonicContact CZ-OE2 2.8Å; R35-E149 VanDerWaalsContact NH1-CD 3.32Å; R35-E149 IonicContact NH1-OE1 3Å; R35-E149 PolarHBondContact NH1-OE1 3.17Å; R35-E149 IonicContact NH1-OE2 3.98Å; R35-E149 PolarHBondContact NH1-OE2 2.95Å; R35-E149 IonicContact NH2-OE2 3.4Å; R35-M197 HydrophobicContact CB-CE 4.4Å; R35-M197 HydrophobicContact CB-SD 4.44Å; R35-M197 HydrophobicContact CG-SD 4.33Å; R35-S201 PolarHBondContact NH1-OG 3.3Å; R35-S201 PolarHBondContact NH2-OG 3.04Å
36	I	92.6	Very high	88.1	Confident	45 Å²	45	56.6 Å²	56.6	23%	0.231	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-45.8	174	-68.2	172.4	0	0	0	110.1	F32 I33 I38 L39 V40 L84	F32-I36 HydrophobicContact CD1-CD1 3.93Å; F32-I36 HydrophobicContact CE1-CD1 3.39Å; F32-I36 HydrophobicContact CE1-CG1 4.33Å; F32-I36 HydrophobicContact CZ-CD1 3.86Å; F32-I36 HydrophobicContact CZ-CG1 4.48Å; F32-I36 PolarHBondContact O-N 2.71Å; F32-I36 VanDerWaalsContact O-N 3.12Å; I33-I36 PolarHBondContact O-N 2.99Å; I33-I36 VanDerWaalsContact O-N 3.1Å; I36-I38 PolarHBondContact O-N 2.77Å; I36-L39 PolarHBondContact O-N 3.18Å; I36-V40 HydrophobicContact CG2-CG2 4.33Å; I36-V40 WeakPolarHBondContact O-CG2 3.42Å; I36-V40 PolarHBondContact O-N 3.05Å; I36-L84 HydrophobicContact CG1-CD1 3.76Å
37	T	91.6	Very high	88.7	Confident	71 Å²	71	53.4 Å²	53.4	44%	0.436	28%	0.282	S	S	.	.	H	α-helix	trans	-58.8	-48.5	178.5	-58.3	0	0	0	0	111.4	I33 F34 R35 L39 V40 L41	I33-T37 PolarHBondContact O-N 3.28Å; I33-T37 PolarHBondContact O-OG1 3.43Å; F34-T37 PolarHBondContact O-N 3.08Å; R35-T37 VanDerWaalsContact C-N 3.34Å; T37-L39 VanDerWaalsContact C-N 3.33Å; T37-L39 PolarHBondContact O-N 2.83Å; T37-V40 PolarHBondContact O-N 3.22Å; T37-L41 HydrophobicContact CG2-CD1 4.06Å; T37-L41 VanDerWaalsContact O-CG 3.32Å; T37-L41 WeakPolarHBondContact O-CG 3.46Å; T37-L41 PolarHBondContact O-N 3.08Å
38	I	91.8	Very high	89.1	Confident	11 Å²	11	49.6 Å²	49.6	6%	0.056	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-46.6	176.3	-74.8	169.1	0	0	0	111.1	F34 R35 I36 V40 L41 A42 F193 F196 M197	F34-I38 HydrophobicContact CD1-CD1 3.82Å; F34-I38 HydrophobicContact CD2-CD1 4.29Å; F34-I38 HydrophobicContact CE1-CD1 3.26Å; F34-I38 HydrophobicContact CE1-CG1 4.45Å; F34-I38 HydrophobicContact CE2-CD1 3.77Å; F34-I38 HydrophobicContact CE2-CG1 4.26Å; F34-I38 HydrophobicContact CG-CD1 4.32Å; F34-I38 HydrophobicContact CZ-CD1 3.25Å; F34-I38 HydrophobicContact CZ-CG1 4.2Å; F34-I38 PolarHBondContact O-N 3.18Å; R35-I38 PolarHBondContact O-N 3.29Å; I36-I38 PolarHBondContact O-N 2.77Å; I38-V40 VanDerWaalsContact C-N 3.34Å; I38-V40 PolarHBondContact O-N 3.43Å; I38-L41 PolarHBondContact O-N 2.86Å; I38-A42 WeakPolarHBondContact O-CB 3.34Å; I38-A42 PolarHBondContact O-N 3.4Å; I38-F193 HydrophobicContact CG2-CD1 3.73Å; I38-F193 HydrophobicContact CG2-CE1 4.23Å; I38-F196 HydrophobicContact CD1-CB 3.9Å; I38-M197 HydrophobicContact CB-SD 4.05Å; I38-M197 HydrophobicContact CD1-SD 4.48Å; I38-M197 HydrophobicContact CG2-CG 3.98Å; I38-M197 HydrophobicContact CG2-SD 3.64Å
39	L	91.9	Very high	89.4	Confident	13 Å²	13	50.3 Å²	50.3	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-44.7	-179.6	-80.5	175.4	0	0	0	112.8	R35 I36 T37 A42 A43 I77 W80 L84 M197	R35-L39 WeakPolarHBondContact O-CB 3.09Å; R35-L39 WeakPolarHBondContact O-CG 3.21Å; R35-L39 PolarHBondContact O-N 3.42Å; I36-L39 PolarHBondContact O-N 3.18Å; T37-L39 VanDerWaalsContact C-N 3.33Å; T37-L39 PolarHBondContact O-N 2.83Å; L39-A42 PolarHBondContact O-N 3.48Å; L39-A43 WeakPolarHBondContact O-CB 3.5Å; L39-A43 PolarHBondContact O-N 3.06Å; L39-I77 HydrophobicContact CD2-CD1 3.44Å; L39-I77 VanDerWaalsContact CD2-CD1 3.44Å; L39-I77 HydrophobicContact CD2-CG1 4.3Å; L39-W80 HydrophobicContact CD1-CB 4.5Å; L39-W80 HydrophobicContact CD2-CB 3.57Å; L39-W80 HydrophobicContact CD2-CD2 4.36Å; L39-W80 HydrophobicContact CD2-CE3 3.79Å; L39-W80 HydrophobicContact CD2-CG 4.34Å; L39-L84 HydrophobicContact CD1-CD1 3.22Å; L39-L84 HydrophobicContact CD1-CG 3.83Å; L39-M197 HydrophobicContact CD1-CE 4.2Å; L39-M197 HydrophobicContact CD2-CE 3.92Å; L39-M197 HydrophobicContact CG-CE 3.81Å
40	V	91.2	Very high	89.7	Confident	100 Å²	100	48.9 Å²	48.9	61%	0.606	28%	0.279	S	S	*	.	H	α-helix	trans	-64	-44	179.4	171.9	0	0	0	0	110.6	I36 T37 I38	I36-V40 HydrophobicContact CG2-CG2 4.33Å; I36-V40 WeakPolarHBondContact O-CG2 3.42Å; I36-V40 PolarHBondContact O-N 3.05Å; T37-V40 PolarHBondContact O-N 3.22Å; I38-V40 VanDerWaalsContact C-N 3.34Å; I38-V40 PolarHBondContact O-N 3.43Å
41	L	90.6	Very high	89.7	Confident	103 Å²	103	50.1 Å²	50.1	54%	0.539	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-46.7	177.3	-68.1	173.8	0	0	0	111.5	T37 I38 S45	T37-L41 HydrophobicContact CG2-CD1 4.06Å; T37-L41 VanDerWaalsContact O-CG 3.32Å; T37-L41 WeakPolarHBondContact O-CG 3.46Å; T37-L41 PolarHBondContact O-N 3.08Å; I38-L41 PolarHBondContact O-N 2.86Å; L41-S45 WeakPolarHBondContact O-CB 3.09Å; L41-S45 PolarHBondContact O-N 2.85Å; L41-S45 PolarHBondContact O-OG 3.42Å
42	A	89.8	Confident	89.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.3	-38	-176.4	0	0	0	0	0	113.2	I38 L39 E44 V46 W47 I77 F193	I38-A42 WeakPolarHBondContact O-CB 3.34Å; I38-A42 PolarHBondContact O-N 3.4Å; L39-A42 PolarHBondContact O-N 3.48Å; A42-E44 PolarHBondContact O-N 2.9Å; A42-V46 PolarHBondContact O-N 2.52Å; A42-V46 VanDerWaalsContact O-N 3.08Å; A42-W47 HydrophobicContact CB-CE3 3.79Å; A42-W47 HydrophobicContact CB-CZ3 3.69Å; A42-W47 PolarHBondContact O-N 3.37Å; A42-I77 HydrophobicContact CB-CD1 4.13Å; A42-F193 HydrophobicContact CB-CD1 4.02Å; A42-F193 HydrophobicContact CB-CE1 4.23Å; A42-F193 HydrophobicContact CB-CG 4.28Å
43	A	87.4	Confident	90.1	Very high	39 Å²	39	53.9 Å²	53.9	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-56.1	-46.9	-171.1	0	0	0	0	0	112.9	L39 W47 G48 I77	L39-A43 WeakPolarHBondContact O-CB 3.5Å; L39-A43 PolarHBondContact O-N 3.06Å; A43-W47 CarbonylContact O-C 3.56Å; A43-G48 PolarHBondContact O-N 3.12Å; A43-I77 HydrophobicContact CB-CD1 4.03Å; A43-I77 HydrophobicContact CB-CG1 4.05Å
44	E	82.7	Confident	90.3	Very high	174 Å²	174	50.5 Å²	50.5	81%	0.813	29%	0.29	S	S	*	.	H	α-helix	trans	-90.6	-43	-178.5	-64.7	-172.4	171	0	0	112.3	A42	A42-E44 PolarHBondContact O-N 2.9Å
45	S	86.6	Confident	90.5	Very high	60 Å²	60	49.5 Å²	49.5	42%	0.42	29%	0.292	S	S	.	.	H	α-helix	trans	-77	-25.3	-171.1	64.6	0	0	0	0	114.8	L41	L41-S45 WeakPolarHBondContact O-CB 3.09Å; L41-S45 PolarHBondContact O-N 2.85Å; L41-S45 PolarHBondContact O-OG 3.42Å
46	V	89.8	Confident	90.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-32.9	-170.7	-173.2	0	0	0	0	113.3	A42 E189 K190 F193	A42-V46 PolarHBondContact O-N 2.52Å; A42-V46 VanDerWaalsContact O-N 3.08Å; V46-E189 HydrophobicContact CG1-CB 4.29Å; V46-E189 HydrophobicContact CG1-CG 3.89Å; V46-E189 HydrophobicContact CG2-CG 3.79Å; V46-E189 VanDerWaalsContact CG2-OE1 3.24Å; V46-E189 WeakPolarHBondContact CG2-OE1 3.24Å; V46-K190 HydrophobicContact CG1-CB 4.41Å; V46-K190 HydrophobicContact CG1-CG 3.46Å; V46-K190 VanDerWaalsContact CG1-CG 3.46Å; V46-K190 VanDerWaalsContact O-CE 3.28Å; V46-K190 WeakPolarHBondContact O-CE 3.38Å; V46-F193 HydrophobicContact CG1-CD2 4.4Å; V46-F193 HydrophobicContact CG2-CD2 3.83Å; V46-F193 HydrophobicContact CG2-CE2 3.49Å; V46-F193 VanDerWaalsContact CG2-CE2 3.49Å; V46-F193 HydrophobicContact CG2-CZ 4.28Å
47	W	91	Very high	90.9	Very high	15 Å²	15	54.3 Å²	54.3	6%	0.057	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-5	-179.6	-83.2	-89.8	0	0	0	113.7	A42 A43 E50 H76 I77 W80 K190 F193	A42-W47 HydrophobicContact CB-CE3 3.79Å; A42-W47 HydrophobicContact CB-CZ3 3.69Å; A42-W47 PolarHBondContact O-N 3.37Å; A43-W47 CarbonylContact O-C 3.56Å; W47-E50 VanDerWaalsContact CD1-CD 3.45Å; W47-E50 VanDerWaalsContact CD1-OE1 3.3Å; W47-E50 VanDerWaalsContact CD1-OE2 3.28Å; W47-E50 PolarHBondContact NE1-OE1 2.85Å; W47-E50 WeakPolarHBondContact O-CB 3.43Å; W47-E50 PolarHBondContact O-N 2.77Å; W47-H76 HydrophobicContact CZ2-CB 3.99Å; W47-I77 HydrophobicContact CB-CB 4.46Å; W47-I77 HydrophobicContact CB-CG2 4.26Å; W47-I77 HydrophobicContact CG-CB 4.25Å; W47-I77 HydrophobicContact CG-CG2 4.34Å; W47-W80 AromaticContact CH2-CH2 3.51Å; W47-W80 HydrophobicContact CH2-CH2 3.51Å; W47-W80 AromaticContact CH2-CZ3 3.61Å; W47-W80 HydrophobicContact CH2-CZ3 3.61Å; W47-W80 AromaticContact CZ2-CH2 3.69Å; W47-W80 HydrophobicContact CZ2-CH2 3.69Å; W47-W80 AromaticContact CZ2-CZ3 3.9Å; W47-W80 HydrophobicContact CZ2-CZ3 3.9Å; W47-W80 HydrophobicContact CZ3-CH2 4.32Å; W47-W80 AromaticContact CZ3-CZ3 3.99Å; W47-W80 HydrophobicContact CZ3-CZ3 3.99Å; W47-K190 HydrophobicContact CD2-CG 4.39Å; W47-K190 HydrophobicContact CH2-CB 3.88Å; W47-K190 HydrophobicContact CH2-CG 3.92Å; W47-K190 HydrophobicContact CZ2-CB 3.68Å; W47-K190 HydrophobicContact CZ2-CD 4.17Å; W47-K190 HydrophobicContact CZ2-CG 3.62Å; W47-K190 HydrophobicContact CZ3-CG 4.41Å; W47-F193 HydrophobicContact CH2-CB 3.72Å; W47-F193 HydrophobicContact CZ3-CB 3.78Å; W47-F193 HydrophobicContact CZ3-CD2 4.27Å; W47-F193 HydrophobicContact CZ3-CG 4.14Å
48	G	87.7	Confident	91.1	Very high	59 Å²	59	52.9 Å²	52.9	61%	0.608	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-35.8	-178.3	0	0	0	0	0	113.8	A43	A43-G48 PolarHBondContact O-N 3.12Å
49	D	88	Confident	91.3	Very high	27 Å²	27	61.7 Å²	61.7	14%	0.144	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	12.6	180	57.3	-7.3	0	0	0	112.6	Q51 S52 D53 R186	D49-Q51 VanDerWaalsContact C-N 3.33Å; D49-Q51 PolarHBondContact O-N 2.71Å; D49-S52 WeakPolarHBondContact CA-OG 3.31Å; D49-S52 WeakPolarHBondContact CB-OG 3.2Å; D49-S52 PolarHBondContact O-N 2.71Å; D49-S52 PolarHBondContact O-OG 2.97Å; D49-D53 WeakPolarHBondContact O-CB 3.39Å; D49-D53 PolarHBondContact O-N 2.85Å; D49-R186 IonicContact OD1-NE 2.85Å; D49-R186 IonicContact OD2-CZ 2.9Å; D49-R186 IonicContact OD2-NE 2.6Å; D49-R186 PolarHBondContact OD2-NE 3.47Å; D49-R186 IonicContact OD2-NH2 3.59Å; D49-R186 PolarHBondContact OD2-NH2 3.23Å
50	E	89.8	Confident	91.4	Very high	7 Å²	7	65.2 Å²	65.2	3%	0.033	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-40.7	-171	168.7	165.9	-105.6	0	0	113.3	W47 F54 Y68 S75 K190	W47-E50 VanDerWaalsContact CD1-CD 3.45Å; W47-E50 VanDerWaalsContact CD1-OE1 3.3Å; W47-E50 VanDerWaalsContact CD1-OE2 3.28Å; W47-E50 PolarHBondContact NE1-OE1 2.85Å; W47-E50 WeakPolarHBondContact O-CB 3.43Å; W47-E50 PolarHBondContact O-N 2.77Å; E50-F54 WeakPolarHBondContact O-CB 3.27Å; E50-F54 PolarHBondContact O-N 3.28Å; E50-Y68 HydrophobicContact CG-CE2 3.75Å; E50-Y68 WeakPolarHBondContact CG-OH 3.38Å; E50-Y68 PolarHBondContact OE2-OH 2.88Å; E50-S75 VanDerWaalsContact OE2-CB 3.26Å; E50-S75 WeakPolarHBondContact OE2-CB 3.47Å; E50-K190 VanDerWaalsContact CG-NZ 3.31Å; E50-K190 IonicContact OE1-NZ 2.71Å; E50-K190 PolarHBondContact OE1-NZ 2.99Å
51	Q	89.5	Confident	91.7	Very high	100 Å²	100	65.2 Å²	65.2	47%	0.467	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-33.4	178.9	-170.4	174	2.2	0	0	112.7	D49 D53 K64 Y68	D49-Q51 VanDerWaalsContact C-N 3.33Å; D49-Q51 PolarHBondContact O-N 2.71Å; Q51-D53 VanDerWaalsContact C-N 3.34Å; Q51-K64 WeakPolarHBondContact O-CE 3.49Å; Q51-K64 PolarHBondContact O-NZ 3.49Å; Q51-K64 VanDerWaalsContact O-NZ 3.12Å; Q51-Y68 HydrophobicContact CB-CD2 4.5Å; Q51-Y68 HydrophobicContact CB-CE1 4.09Å; Q51-Y68 HydrophobicContact CB-CE2 4.05Å; Q51-Y68 HydrophobicContact CG-CD1 3.93Å; Q51-Y68 HydrophobicContact CG-CD2 4.35Å; Q51-Y68 HydrophobicContact CG-CE1 3.9Å; Q51-Y68 HydrophobicContact CG-CE2 4.33Å; Q51-Y68 HydrophobicContact CG-CG 4.15Å
52	S	90.6	Very high	91.9	Very high	72 Å²	72	62 Å²	62	50%	0.503	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-39.3	179	58.2	0	0	0	0	111.2	D49 K64	D49-S52 WeakPolarHBondContact CA-OG 3.31Å; D49-S52 WeakPolarHBondContact CB-OG 3.2Å; D49-S52 PolarHBondContact O-N 2.71Å; D49-S52 PolarHBondContact O-OG 2.97Å; S52-K64 PolarHBondContact O-NZ 2.82Å
53	D	93.6	Very high	92.2	Very high	69 Å²	69	62 Å²	62	37%	0.369	36%	0.362	S	S	.	.	S	Bend	trans	-98.6	-1.1	-171.8	-67.5	14.4	0	0	0	112.9	D49 Q51 T55 S185	D49-D53 WeakPolarHBondContact O-CB 3.39Å; D49-D53 PolarHBondContact O-N 2.85Å; Q51-D53 VanDerWaalsContact C-N 3.34Å; D53-T55 PolarHBondContact O-N 3.29Å; D53-S185 VanDerWaalsContact CB-CB 3.48Å; D53-S185 WeakPolarHBondContact CB-OG 3.26Å
54	F	95.4	Very high	92.6	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	36%	0.36	C	S	.	.			trans	-67.2	118	165	-174.7	-103.9	0	0	0	109.3	E50 C56 K64 C67 Y68 F72 V169 C182 F183 I184	E50-F54 WeakPolarHBondContact O-CB 3.27Å; E50-F54 PolarHBondContact O-N 3.28Å; F54-C56 VanDerWaalsContact CE1-SG 3.57Å; F54-K64 HydrophobicContact CD1-CG 4.07Å; F54-K64 VanDerWaalsContact O-CD 3.25Å; F54-K64 WeakPolarHBondContact O-CD 3.32Å; F54-K64 WeakPolarHBondContact O-CE 3.36Å; F54-K64 PolarHBondContact O-NZ 3.36Å; F54-C67 HydrophobicContact CE1-CB 4Å; F54-C67 HydrophobicContact CZ-CB 4.27Å; F54-Y68 HydrophobicContact CB-CD2 3.97Å; F54-Y68 HydrophobicContact CD1-CD2 4.07Å; F54-Y68 HydrophobicContact CD1-CG 4.42Å; F54-Y68 HydrophobicContact CD2-CD2 4.34Å; F54-Y68 AromaticContact CG-CD2 3.88Å; F54-Y68 HydrophobicContact CG-CD2 3.88Å; F54-F72 HydrophobicContact CD2-CE2 4.4Å; F54-F72 HydrophobicContact CE2-CE2 4.17Å; F54-V169 HydrophobicContact CE2-CG2 4.22Å; F54-V169 HydrophobicContact CZ-CG2 4.27Å; F54-C182 HydrophobicContact CE1-CB 3.92Å; F54-C182 HydrophobicContact CE2-CB 3.89Å; F54-C182 HydrophobicContact CZ-CB 3.36Å; F54-F183 WeakPolarHBondContact CD2-O 3.38Å; F54-I184 HydrophobicContact CD2-CG1 4.16Å; F54-I184 HydrophobicContact CE2-CG1 3.96Å
55	T	96.1	Very high	93.3	Very high	72 Å²	72	59.4 Å²	59.4	44%	0.442	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.4	-173.5	49.7	0	0	0	0	110.4	D53 C182 F183	D53-T55 PolarHBondContact O-N 3.29Å; T55-C182 CarbonylContact O-C 3.44Å; T55-C182 WeakPolarHBondContact O-CA 3.29Å; T55-F183 PolarHBondContact N-O 3.39Å; T55-F183 VanDerWaalsContact N-O 3.17Å; T55-F183 PolarHBondContact O-N 3.02Å
56	C	97.1	Very high	93.8	Very high	22 Å²	22	58.7 Å²	58.7	15%	0.149	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.3	175	-62.7	0	0	0	0	109.7	F54 T58 D181 C182	F54-C56 VanDerWaalsContact CE1-SG 3.57Å; C56-T58 HydrophobicContact CB-CG2 3.98Å; C56-T58 PolarHBondContact O-N 3.31Å; C56-D181 CarbonylContact C-O 3.52Å; C56-D181 WeakPolarHBondContact CA-O 3.36Å; C56-C182 HydrophobicContact CB-CB 4.09Å; C56-C182 WeakPolarHBondContact CB-SG 3.47Å; C56-C182 WeakPolarHBondContact SG-CB 3.2Å; C56-C182 CovalentContact SG-SG 2.05Å; C56-C182 PolarHBondContact SG-SG 3.02Å
57	N	96.8	Very high	94.1	Very high	126 Å²	126	58.7 Å²	58.7	67%	0.674	34%	0.338	S	S	*	.	S	Bend	trans	-76.2	70.1	177	-172	11	0	0	0	110.7	D181	N57-D181 HydrophobicContact CB-CB 4.37Å; N57-D181 PolarHBondContact N-O 3.48Å
58	T	96.1	Very high	94.3	Very high	40 Å²	40	59 Å²	59	25%	0.245	34%	0.339	C	S	.	.			trans	-159.5	150.1	178.7	-174.7	0	0	0	0	110.3	C56 Q60 C63 V180	C56-T58 HydrophobicContact CB-CG2 3.98Å; C56-T58 PolarHBondContact O-N 3.31Å; T58-Q60 WeakPolarHBondContact OG1-CB 3.31Å; T58-Q60 PolarHBondContact OG1-N 3.48Å; T58-C63 HydrophobicContact CG2-CB 3.91Å; T58-V180 HydrophobicContact CG2-CG1 4.48Å
59	Q	95.1	Very high	94.7	Very high	197 Å²	197	61.3 Å²	61.3	92%	0.921	34%	0.338	S	S	*	.			trans	-95.9	0.3	172.2	-61.6	-175.7	16.4	0	0	112.3	P61	Q59-P61 VanDerWaalsContact O-CD 3.31Å; Q59-P61 WeakPolarHBondContact O-CD 3.29Å
60	Q	95.4	Very high	95	Very high	86 Å²	86	64.7 Å²	64.7	40%	0.402	35%	0.352	S	S	.	.			trans	-69.4	120.7	-177.3	-178	62.2	32	0	0	111.4	T58 C63 P175 P177	T58-Q60 WeakPolarHBondContact OG1-CB 3.31Å; T58-Q60 PolarHBondContact OG1-N 3.48Å; Q60-C63 HydrophobicContact CB-CB 4.2Å; Q60-C63 HydrophobicContact CG-CB 4.32Å; Q60-C63 PolarHBondContact O-N 3.47Å; Q60-P175 VanDerWaalsContact CG-O 3.24Å; Q60-P175 WeakPolarHBondContact CG-O 3.38Å; Q60-P177 HydrophobicContact CB-CG 4.28Å
61	P	96.2	Very high	95.2	Very high	101 Å²	101	67.2 Å²	67.2	66%	0.656	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	140	176.3	-23.3	34.5	0	0	0	111.9	Q59 C63	Q59-P61 VanDerWaalsContact O-CD 3.31Å; Q59-P61 WeakPolarHBondContact O-CD 3.29Å; P61-C63 PolarHBondContact O-N 2.95Å
62	G	95.5	Very high	95.4	Very high	36 Å²	36	63 Å²	63	37%	0.371	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-20.6	177.4	0	0	0	0	0	115.6	K64 N65 V66	G62-K64 VanDerWaalsContact C-N 3.35Å; G62-K64 PolarHBondContact O-N 3.21Å; G62-N65 PolarHBondContact O-N 2.89Å; G62-N65 VanDerWaalsContact O-N 3.08Å; G62-V66 PolarHBondContact O-N 3.32Å
63	C	96.8	Very high	95.6	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.3	-43.9	-179.7	175.2	0	0	0	0	112.5	T58 Q60 P61 N65 V66 C67 C176	T58-C63 HydrophobicContact CG2-CB 3.91Å; Q60-C63 HydrophobicContact CB-CB 4.2Å; Q60-C63 HydrophobicContact CG-CB 4.32Å; Q60-C63 PolarHBondContact O-N 3.47Å; P61-C63 PolarHBondContact O-N 2.95Å; C63-N65 VanDerWaalsContact C-N 3.28Å; C63-N65 PolarHBondContact O-N 2.99Å; C63-V66 WeakPolarHBondContact O-CG2 3.31Å; C63-V66 PolarHBondContact O-N 3.46Å; C63-C67 WeakPolarHBondContact O-CB 3.31Å; C63-C67 PolarHBondContact O-N 3.06Å; C63-C67 PolarHBondContact O-SG 3.43Å; C63-C176 WeakPolarHBondContact CA-SG 3.06Å; C63-C176 HydrophobicContact CB-CB 4.03Å; C63-C176 WeakPolarHBondContact CB-SG 3.17Å; C63-C176 WeakPolarHBondContact SG-CB 3.34Å; C63-C176 CovalentContact SG-SG 2.03Å; C63-C176 PolarHBondContact SG-SG 2.66Å
64	K	95.8	Very high	95.5	Very high	64 Å²	64	62.4 Å²	62.4	28%	0.278	34%	0.34	S	S	.	.	H	α-helix	trans	-54.1	-43.9	174.9	174.2	178.3	162.4	157.1	0	112.4	Q51 S52 F54 G62 Y68	Q51-K64 WeakPolarHBondContact O-CE 3.49Å; Q51-K64 PolarHBondContact O-NZ 3.49Å; Q51-K64 VanDerWaalsContact O-NZ 3.12Å; S52-K64 PolarHBondContact O-NZ 2.82Å; F54-K64 HydrophobicContact CD1-CG 4.07Å; F54-K64 VanDerWaalsContact O-CD 3.25Å; F54-K64 WeakPolarHBondContact O-CD 3.32Å; F54-K64 WeakPolarHBondContact O-CE 3.36Å; F54-K64 PolarHBondContact O-NZ 3.36Å; G62-K64 VanDerWaalsContact C-N 3.35Å; G62-K64 PolarHBondContact O-N 3.21Å; K64-Y68 VanDerWaalsContact O-CB 3.28Å; K64-Y68 WeakPolarHBondContact O-CB 3.48Å; K64-Y68 PolarHBondContact O-N 3.47Å
65	N	95.9	Very high	95.4	Very high	93 Å²	93	62.6 Å²	62.6	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-69.3	-45.6	-174.3	-68.7	-1.4	0	0	0	111.5	G62 C63 Y68 D69	G62-N65 PolarHBondContact O-N 2.89Å; G62-N65 VanDerWaalsContact O-N 3.08Å; C63-N65 VanDerWaalsContact C-N 3.28Å; C63-N65 PolarHBondContact O-N 2.99Å; N65-Y68 PolarHBondContact O-N 3.23Å; N65-D69 WeakPolarHBondContact O-CB 3.28Å; N65-D69 PolarHBondContact O-N 3.29Å
66	V	96.8	Very high	95.2	Very high	46 Å²	46	59.5 Å²	59.5	28%	0.279	32%	0.322	S	S	.	.	H	α-helix	trans	-69.1	-36.8	179.8	-60.2	0	0	0	0	111.9	G62 C63 H70 Q173 W174	G62-V66 PolarHBondContact O-N 3.32Å; C63-V66 WeakPolarHBondContact O-CG2 3.31Å; C63-V66 PolarHBondContact O-N 3.46Å; V66-H70 VanDerWaalsContact O-CB 3.27Å; V66-H70 WeakPolarHBondContact O-CB 3.35Å; V66-H70 PolarHBondContact O-N 3.43Å; V66-Q173 HydrophobicContact CB-CB 4.44Å; V66-Q173 HydrophobicContact CG2-CB 4.07Å; V66-W174 WeakPolarHBondContact CG2-O 3.28Å
67	C	96.8	Very high	95	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-41.5	176.7	-67.1	0	0	0	0	111.3	F54 C63 H70 F71 C171 C176	F54-C67 HydrophobicContact CE1-CB 4Å; F54-C67 HydrophobicContact CZ-CB 4.27Å; C63-C67 WeakPolarHBondContact O-CB 3.31Å; C63-C67 PolarHBondContact O-N 3.06Å; C63-C67 PolarHBondContact O-SG 3.43Å; C67-H70 PolarHBondContact O-N 3.21Å; C67-F71 VanDerWaalsContact O-CD2 3.26Å; C67-F71 WeakPolarHBondContact O-CD2 3.34Å; C67-F71 PolarHBondContact O-N 3.49Å; C67-F71 VanDerWaalsContact O-N 3.07Å; C67-C171 WeakPolarHBondContact CA-SG 3.21Å; C67-C171 HydrophobicContact CB-CB 3.79Å; C67-C171 WeakPolarHBondContact CB-SG 3.47Å; C67-C171 WeakPolarHBondContact SG-CB 3.36Å; C67-C171 CovalentContact SG-SG 2.02Å; C67-C171 PolarHBondContact SG-SG 3.5Å; C67-C176 PolarHBondContact SG-SG 3.23Å
68	Y	95.6	Very high	94.8	Very high	22 Å²	22	60.6 Å²	60.6	9%	0.086	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-50.7	175.1	177.7	-95.8	0	0	0	111.3	E50 Q51 F54 K64 N65 H70 F71 F72	E50-Y68 HydrophobicContact CG-CE2 3.75Å; E50-Y68 WeakPolarHBondContact CG-OH 3.38Å; E50-Y68 PolarHBondContact OE2-OH 2.88Å; Q51-Y68 HydrophobicContact CB-CD2 4.5Å; Q51-Y68 HydrophobicContact CB-CE1 4.09Å; Q51-Y68 HydrophobicContact CB-CE2 4.05Å; Q51-Y68 HydrophobicContact CG-CD1 3.93Å; Q51-Y68 HydrophobicContact CG-CD2 4.35Å; Q51-Y68 HydrophobicContact CG-CE1 3.9Å; Q51-Y68 HydrophobicContact CG-CE2 4.33Å; Q51-Y68 HydrophobicContact CG-CG 4.15Å; F54-Y68 HydrophobicContact CB-CD2 3.97Å; F54-Y68 HydrophobicContact CD1-CD2 4.07Å; F54-Y68 HydrophobicContact CD1-CG 4.42Å; F54-Y68 HydrophobicContact CD2-CD2 4.34Å; F54-Y68 AromaticContact CG-CD2 3.88Å; F54-Y68 HydrophobicContact CG-CD2 3.88Å; K64-Y68 VanDerWaalsContact O-CB 3.28Å; K64-Y68 WeakPolarHBondContact O-CB 3.48Å; K64-Y68 PolarHBondContact O-N 3.47Å; N65-Y68 PolarHBondContact O-N 3.23Å; Y68-H70 VanDerWaalsContact C-N 3.31Å; Y68-H70 PolarHBondContact O-N 2.93Å; Y68-F71 PolarHBondContact O-N 3.03Å; Y68-F72 HydrophobicContact CD2-CD2 4.07Å; Y68-F72 HydrophobicContact CE2-CB 4.25Å; Y68-F72 HydrophobicContact CE2-CD2 4.08Å; Y68-F72 HydrophobicContact CE2-CG 4.37Å; Y68-F72 WeakPolarHBondContact O-CA 3.27Å; Y68-F72 WeakPolarHBondContact O-CB 3.41Å; Y68-F72 PolarHBondContact O-N 3.1Å
69	D	95.6	Very high	94.7	Very high	107 Å²	107	59.9 Å²	59.9	57%	0.572	31%	0.31	S	S	*	.	H	α-helix	trans	-61.8	-38.5	179.6	-171.3	69.2	0	0	0	112.4	N65 F72 P73	N65-D69 WeakPolarHBondContact O-CB 3.28Å; N65-D69 PolarHBondContact O-N 3.29Å; D69-F72 CarbonylContact O-C 3.47Å; D69-P73 VanDerWaalsContact O-CA 3.24Å; D69-P73 WeakPolarHBondContact O-CA 3.24Å; D69-P73 VanDerWaalsContact O-N 3.12Å
70	H	94.9	Very high	94.7	Very high	98 Å²	98	50.6 Å²	50.6	45%	0.454	27%	0.266	S	S	.	.	H	α-helix	trans	-66	-43.6	178.3	-176.6	65.2	0	0	0	113.6	V66 C67 Y68 Q173	V66-H70 VanDerWaalsContact O-CB 3.27Å; V66-H70 WeakPolarHBondContact O-CB 3.35Å; V66-H70 PolarHBondContact O-N 3.43Å; C67-H70 PolarHBondContact O-N 3.21Å; Y68-H70 VanDerWaalsContact C-N 3.31Å; Y68-H70 PolarHBondContact O-N 2.93Å; H70-Q173 HydrophobicContact CB-CG 3.9Å; H70-Q173 PolarHBondContact CE1-NE2 3.36Å; H70-Q173 PolarHBondContact ND1-NE2 3.3Å; H70-Q173 PolarHBondContact NE2-NE2 3.01Å
71	F	93.9	Very high	94.7	Very high	60 Å²	60	49.1 Å²	49.1	26%	0.263	27%	0.265	S	S	.	.	H	α-helix	trans	-84.8	-24.7	-179.4	-75.4	-71.2	0	0	0	113.4	C67 Y68 P73 V169 K170 C171	C67-F71 VanDerWaalsContact O-CD2 3.26Å; C67-F71 WeakPolarHBondContact O-CD2 3.34Å; C67-F71 PolarHBondContact O-N 3.49Å; C67-F71 VanDerWaalsContact O-N 3.07Å; Y68-F71 PolarHBondContact O-N 3.03Å; F71-P73 VanDerWaalsContact C-CD 3.44Å; F71-V169 HydrophobicContact CD1-CB 4.02Å; F71-V169 HydrophobicContact CD1-CG1 3.99Å; F71-V169 HydrophobicContact CD1-CG2 4.3Å; F71-V169 HydrophobicContact CD2-CB 4.09Å; F71-V169 HydrophobicContact CD2-CG2 3.58Å; F71-V169 HydrophobicContact CE1-CB 3.8Å; F71-V169 HydrophobicContact CE1-CG1 4.09Å; F71-V169 HydrophobicContact CE1-CG2 4.38Å; F71-V169 HydrophobicContact CE2-CB 3.89Å; F71-V169 HydrophobicContact CE2-CG2 3.69Å; F71-V169 HydrophobicContact CG-CB 4.18Å; F71-V169 HydrophobicContact CG-CG1 4.34Å; F71-V169 HydrophobicContact CG-CG2 3.93Å; F71-V169 HydrophobicContact CZ-CB 3.75Å; F71-V169 HydrophobicContact CZ-CG2 4.11Å; F71-K170 WeakPolarHBondContact CZ-O 3.21Å; F71-C171 HydrophobicContact CE2-CB 3.86Å
72	F	94.1	Very high	94.7	Very high	12 Å²	12	47.9 Å²	47.9	5%	0.053	25%	0.252	C	S	.	.			trans	-129.2	61.2	-179.3	-59.6	-79.8	0	0	0	111.5	F54 Y68 D69 V74 Y160 M165 I184	F54-F72 HydrophobicContact CD2-CE2 4.4Å; F54-F72 HydrophobicContact CE2-CE2 4.17Å; Y68-F72 HydrophobicContact CD2-CD2 4.07Å; Y68-F72 HydrophobicContact CE2-CB 4.25Å; Y68-F72 HydrophobicContact CE2-CD2 4.08Å; Y68-F72 HydrophobicContact CE2-CG 4.37Å; Y68-F72 WeakPolarHBondContact O-CA 3.27Å; Y68-F72 WeakPolarHBondContact O-CB 3.41Å; Y68-F72 PolarHBondContact O-N 3.1Å; D69-F72 CarbonylContact O-C 3.47Å; F72-V74 PolarHBondContact O-N 2.96Å; F72-Y160 HydrophobicContact CD1-CE1 4.2Å; F72-M165 HydrophobicContact CE1-CE 4.39Å; F72-M165 HydrophobicContact CE1-SD 3.58Å; F72-M165 VanDerWaalsContact CE1-SD 3.58Å; F72-M165 HydrophobicContact CZ-SD 3.81Å; F72-I184 HydrophobicContact CE2-CD1 4.04Å; F72-I184 HydrophobicContact CE2-CG1 3.92Å; F72-I184 HydrophobicContact CZ-CD1 3.64Å; F72-I184 HydrophobicContact CZ-CG1 3.84Å; F72-I184 HydrophobicContact CZ-CG2 4.03Å
73	P	93.2	Very high	94.7	Very high	72 Å²	72	46.4 Å²	46.4	47%	0.468	24%	0.236	S	C	.	.	S	Bend	trans	-60.8	-32.6	-177.1	25	-35.1	0	0	0	112	D69 F71 V159	D69-P73 VanDerWaalsContact O-CA 3.24Å; D69-P73 WeakPolarHBondContact O-CA 3.24Å; D69-P73 VanDerWaalsContact O-N 3.12Å; F71-P73 VanDerWaalsContact C-CD 3.44Å; P73-V159 HydrophobicContact CG-CG1 4.34Å
74	V	93.3	Very high	94.6	Very high	55 Å²	55	47 Å²	47	33%	0.333	24%	0.239	S	C	.	.	S	Bend	trans	-128.2	146.4	164.3	-173.6	0	0	0	0	106.1	F72 R78 L79 Y160	F72-V74 PolarHBondContact O-N 2.96Å; V74-R78 HydrophobicContact CG1-CB 3.79Å; V74-L79 HydrophobicContact CB-CG 4.3Å; V74-L79 HydrophobicContact CG1-CD2 4.22Å; V74-L79 HydrophobicContact CG1-CG 3.83Å; V74-Y160 PolarHBondContact O-OH 2.59Å
75	S	92.3	Very high	94.5	Very high	5 Å²	5	48.8 Å²	48.8	4%	0.035	25%	0.251	C	S	.	.			trans	-81	150.5	172.9	60.2	0	0	0	0	111	E50 I77 R78 L79	E50-S75 VanDerWaalsContact OE2-CB 3.26Å; E50-S75 WeakPolarHBondContact OE2-CB 3.47Å; S75-I77 PolarHBondContact O-N 3.29Å; S75-I77 WeakPolarHBondContact OG-CG2 3.49Å; S75-R78 WeakPolarHBondContact O-CB 3.43Å; S75-R78 PolarHBondContact O-N 3Å; S75-R78 VanDerWaalsContact OG-CD 3.31Å; S75-R78 WeakPolarHBondContact OG-CD 3.26Å; S75-R78 VanDerWaalsContact OG-CG 3.24Å; S75-R78 WeakPolarHBondContact OG-CG 3.28Å; S75-R78 PolarHBondContact OG-NE 3.27Å; S75-L79 PolarHBondContact O-N 2.99Å
76	H	92.3	Very high	94.5	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-54.9	-43.7	-179.2	-72.1	70.6	0	0	0	111.6	W47 R78 L79 W80 Y160	W47-H76 HydrophobicContact CZ2-CB 3.99Å; H76-R78 VanDerWaalsContact C-N 3.3Å; H76-R78 PolarHBondContact O-N 2.96Å; H76-L79 PolarHBondContact O-N 3.31Å; H76-W80 HydrophobicContact CB-CH2 3.95Å; H76-W80 HydrophobicContact CB-CZ2 3.97Å; H76-W80 HydrophobicContact CB-CZ3 4.25Å; H76-W80 PolarHBondContact O-N 2.88Å; H76-Y160 AromaticContact CD2-CD2 3.92Å; H76-Y160 AromaticContact CD2-CE2 3.83Å; H76-Y160 AromaticContact CE1-CD1 3.32Å; H76-Y160 WeakPolarHBondContact CE1-CD1 3.44Å; H76-Y160 AromaticContact CE1-CD2 3.7Å; H76-Y160 AromaticContact CE1-CE1 3.33Å; H76-Y160 WeakPolarHBondContact CE1-CE1 3.11Å; H76-Y160 AromaticContact CE1-CE2 3.71Å; H76-Y160 AromaticContact CE1-CG 3.49Å; H76-Y160 VanDerWaalsContact CE1-CG 3.49Å; H76-Y160 AromaticContact CE1-CZ 3.52Å; H76-Y160 AromaticContact CG-CE2 3.98Å; H76-Y160 AromaticContact CG-CZ 3.98Å; H76-Y160 PolarHBondContact N-OH 3.44Å; H76-Y160 AromaticContact ND1-CE1 3.66Å; H76-Y160 AromaticContact ND1-CE2 3.92Å; H76-Y160 AromaticContact ND1-CZ 3.53Å; H76-Y160 AromaticContact NE2-CD1 3.81Å; H76-Y160 AromaticContact NE2-CD2 3.4Å; H76-Y160 WeakPolarHBondContact NE2-CD2 3.15Å; H76-Y160 AromaticContact NE2-CE2 3.67Å; H76-Y160 AromaticContact NE2-CG 3.46Å; H76-Y160 AromaticContact NE2-CZ 3.97Å
77	I	92.1	Very high	94.3	Very high	20 Å²	20	46.7 Å²	46.7	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-39.6	179	-163.4	78.4	0	0	0	112.1	L39 A42 A43 W47 S75 W80 C81	L39-I77 HydrophobicContact CD2-CD1 3.44Å; L39-I77 VanDerWaalsContact CD2-CD1 3.44Å; L39-I77 HydrophobicContact CD2-CG1 4.3Å; A42-I77 HydrophobicContact CB-CD1 4.13Å; A43-I77 HydrophobicContact CB-CD1 4.03Å; A43-I77 HydrophobicContact CB-CG1 4.05Å; W47-I77 HydrophobicContact CB-CB 4.46Å; W47-I77 HydrophobicContact CB-CG2 4.26Å; W47-I77 HydrophobicContact CG-CB 4.25Å; W47-I77 HydrophobicContact CG-CG2 4.34Å; S75-I77 PolarHBondContact O-N 3.29Å; S75-I77 WeakPolarHBondContact OG-CG2 3.49Å; I77-W80 HydrophobicContact CD1-CE3 4.12Å; I77-W80 HydrophobicContact CD1-CZ3 4.44Å; I77-W80 PolarHBondContact O-N 3.46Å; I77-C81 WeakPolarHBondContact O-CB 3.4Å; I77-C81 PolarHBondContact O-N 2.89Å; I77-C81 PolarHBondContact O-SG 3.29Å
78	R	93.9	Very high	93.9	Very high	151 Å²	151	47.7 Å²	47.7	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-67.3	-42.5	177.9	-71.8	173.9	-166.9	158.8	5.6	111.2	V74 S75 H76 W80 C81 L82	V74-R78 HydrophobicContact CG1-CB 3.79Å; S75-R78 WeakPolarHBondContact O-CB 3.43Å; S75-R78 PolarHBondContact O-N 3Å; S75-R78 VanDerWaalsContact OG-CD 3.31Å; S75-R78 WeakPolarHBondContact OG-CD 3.26Å; S75-R78 VanDerWaalsContact OG-CG 3.24Å; S75-R78 WeakPolarHBondContact OG-CG 3.28Å; S75-R78 PolarHBondContact OG-NE 3.27Å; H76-R78 VanDerWaalsContact C-N 3.3Å; H76-R78 PolarHBondContact O-N 2.96Å; R78-W80 VanDerWaalsContact C-N 3.34Å; R78-W80 PolarHBondContact O-N 2.97Å; R78-C81 PolarHBondContact O-N 3.01Å; R78-L82 WeakPolarHBondContact O-CG 3.33Å; R78-L82 PolarHBondContact O-N 2.91Å
79	L	94.1	Very high	93.7	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.131	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-41.1	175.4	-76.6	172.1	0	0	0	112	V74 S75 H76 L82 Q83 L156 Y160	V74-L79 HydrophobicContact CB-CG 4.3Å; V74-L79 HydrophobicContact CG1-CD2 4.22Å; V74-L79 HydrophobicContact CG1-CG 3.83Å; S75-L79 PolarHBondContact O-N 2.99Å; H76-L79 PolarHBondContact O-N 3.31Å; L79-L82 PolarHBondContact O-N 3.39Å; L79-Q83 WeakPolarHBondContact O-CB 3.48Å; L79-Q83 PolarHBondContact O-N 3.2Å; L79-L156 HydrophobicContact CD1-CD1 4.36Å; L79-Y160 HydrophobicContact CD1-CE2 3.61Å; L79-Y160 WeakPolarHBondContact CD1-OH 3.39Å
80	W	95.2	Very high	93.5	Very high	2 Å²	2	45 Å²	45	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-68.9	-35.8	176.5	-63.4	-30.9	0	0	0	113.3	L39 W47 H76 I77 R78 Q83 L84 T194 M197	L39-W80 HydrophobicContact CD1-CB 4.5Å; L39-W80 HydrophobicContact CD2-CB 3.57Å; L39-W80 HydrophobicContact CD2-CD2 4.36Å; L39-W80 HydrophobicContact CD2-CE3 3.79Å; L39-W80 HydrophobicContact CD2-CG 4.34Å; W47-W80 AromaticContact CH2-CH2 3.51Å; W47-W80 HydrophobicContact CH2-CH2 3.51Å; W47-W80 AromaticContact CH2-CZ3 3.61Å; W47-W80 HydrophobicContact CH2-CZ3 3.61Å; W47-W80 AromaticContact CZ2-CH2 3.69Å; W47-W80 HydrophobicContact CZ2-CH2 3.69Å; W47-W80 AromaticContact CZ2-CZ3 3.9Å; W47-W80 HydrophobicContact CZ2-CZ3 3.9Å; W47-W80 HydrophobicContact CZ3-CH2 4.32Å; W47-W80 AromaticContact CZ3-CZ3 3.99Å; W47-W80 HydrophobicContact CZ3-CZ3 3.99Å; H76-W80 HydrophobicContact CB-CH2 3.95Å; H76-W80 HydrophobicContact CB-CZ2 3.97Å; H76-W80 HydrophobicContact CB-CZ3 4.25Å; H76-W80 PolarHBondContact O-N 2.88Å; I77-W80 HydrophobicContact CD1-CE3 4.12Å; I77-W80 HydrophobicContact CD1-CZ3 4.44Å; I77-W80 PolarHBondContact O-N 3.46Å; R78-W80 VanDerWaalsContact C-N 3.34Å; R78-W80 PolarHBondContact O-N 2.97Å; W80-Q83 WeakPolarHBondContact O-CB 2.88Å; W80-Q83 PolarHBondContact O-N 3.49Å; W80-L84 PolarHBondContact O-N 3.23Å; W80-T194 WeakPolarHBondContact CH2-OG1 3.32Å; W80-T194 HydrophobicContact CZ2-CG2 4.07Å; W80-T194 WeakPolarHBondContact CZ2-OG1 3.33Å; W80-M197 HydrophobicContact CB-CE 3.87Å; W80-M197 HydrophobicContact CD2-CB 4.31Å; W80-M197 HydrophobicContact CD2-CE 4.16Å; W80-M197 HydrophobicContact CD2-CG 4.04Å; W80-M197 HydrophobicContact CE3-CE 4.49Å; W80-M197 HydrophobicContact CE3-CG 4.13Å; W80-M197 HydrophobicContact CG-CE 3.88Å; W80-M197 HydrophobicContact CH2-CG 4.39Å; W80-M197 HydrophobicContact CZ2-CB 4.19Å; W80-M197 HydrophobicContact CZ2-CG 4.31Å; W80-M197 HydrophobicContact CZ3-CG 4.31Å
81	C	95.1	Very high	93	Very high	55 Å²	55	42.1 Å²	42.1	37%	0.372	22%	0.224	S	C	.	.	H	α-helix	trans	-60.8	-47.3	171.7	-74.8	0	0	0	0	111.2	I77 R78 L84 I85	I77-C81 WeakPolarHBondContact O-CB 3.4Å; I77-C81 PolarHBondContact O-N 2.89Å; I77-C81 PolarHBondContact O-SG 3.29Å; R78-C81 PolarHBondContact O-N 3.01Å; C81-L84 PolarHBondContact O-N 2.75Å; C81-I85 VanDerWaalsContact O-CG1 3.32Å; C81-I85 WeakPolarHBondContact O-CG1 3.42Å; C81-I85 PolarHBondContact O-N 3.36Å
82	L	95.6	Very high	92.6	Very high	74 Å²	74	43.1 Å²	43.1	39%	0.387	23%	0.232	S	C	.	.	H	α-helix	trans	-60.1	-46.4	174.6	-70.3	170.6	0	0	0	111	R78 L79 L84 I85 F86 F152	R78-L82 WeakPolarHBondContact O-CG 3.33Å; R78-L82 PolarHBondContact O-N 2.91Å; L79-L82 PolarHBondContact O-N 3.39Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 2.96Å; L82-I85 PolarHBondContact O-N 2.98Å; L82-I85 VanDerWaalsContact O-N 3.13Å; L82-F86 HydrophobicContact CD2-CE2 4.49Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.12Å; L82-F86 PolarHBondContact O-N 3.22Å; L82-F152 HydrophobicContact CB-CE1 3.69Å; L82-F152 HydrophobicContact CB-CZ 3.82Å
83	Q	95.8	Very high	92.3	Very high	5 Å²	5	47.6 Å²	47.6	2%	0.023	26%	0.255	C	S	.	.	H	α-helix	trans	-54	-48.9	176.1	-176.8	179.8	6	0	0	111.5	R35 L79 W80 I85 F86 V87 E149 F152 S201	R35-Q83 VanDerWaalsContact NH2-OE1 3.14Å; L79-Q83 WeakPolarHBondContact O-CB 3.48Å; L79-Q83 PolarHBondContact O-N 3.2Å; W80-Q83 WeakPolarHBondContact O-CB 2.88Å; W80-Q83 PolarHBondContact O-N 3.49Å; Q83-I85 PolarHBondContact O-N 2.9Å; Q83-F86 PolarHBondContact O-N 2.98Å; Q83-V87 HydrophobicContact CG-CG2 4.31Å; Q83-V87 VanDerWaalsContact O-CB 3.29Å; Q83-V87 WeakPolarHBondContact O-CB 3.25Å; Q83-V87 WeakPolarHBondContact O-CG2 3.36Å; Q83-V87 PolarHBondContact O-N 3.39Å; Q83-E149 PolarHBondContact NE2-OE2 2.89Å; Q83-F152 HydrophobicContact CB-CB 3.83Å; Q83-F152 HydrophobicContact CB-CD1 3.93Å; Q83-F152 HydrophobicContact CB-CD2 3.99Å; Q83-F152 HydrophobicContact CB-CG 3.65Å; Q83-F152 HydrophobicContact CG-CB 3.61Å; Q83-F152 HydrophobicContact CG-CD2 4.11Å; Q83-F152 HydrophobicContact CG-CG 3.88Å; Q83-S201 PolarHBondContact NE2-OG 3.48Å
84	L	93.4	Very high	91.9	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-42.1	177.5	-78.8	-163	0	0	0	112.8	F32 R35 I36 L39 W80 C81 L82 S88	F32-L84 HydrophobicContact CD2-CD2 4.16Å; F32-L84 HydrophobicContact CE2-CD2 3.9Å; R35-L84 HydrophobicContact CB-CD1 4.4Å; R35-L84 HydrophobicContact CB-CD2 4.03Å; I36-L84 HydrophobicContact CG1-CD1 3.76Å; L39-L84 HydrophobicContact CD1-CD1 3.22Å; L39-L84 HydrophobicContact CD1-CG 3.83Å; W80-L84 PolarHBondContact O-N 3.23Å; C81-L84 PolarHBondContact O-N 2.75Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 2.96Å; L84-S88 VanDerWaalsContact O-CB 3.22Å; L84-S88 WeakPolarHBondContact O-CB 3.48Å; L84-S88 PolarHBondContact O-N 3.37Å; L84-S88 PolarHBondContact O-OG 3.49Å
85	I	94.1	Very high	91.3	Very high	102 Å²	102	44.5 Å²	44.5	52%	0.523	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-50.4	178.8	-68.7	165.4	0	0	0	110.6	C81 L82 Q83 S88 T89	C81-I85 VanDerWaalsContact O-CG1 3.32Å; C81-I85 WeakPolarHBondContact O-CG1 3.42Å; C81-I85 PolarHBondContact O-N 3.36Å; L82-I85 PolarHBondContact O-N 2.98Å; L82-I85 VanDerWaalsContact O-N 3.13Å; Q83-I85 PolarHBondContact O-N 2.9Å; I85-S88 PolarHBondContact O-N 2.83Å; I85-T89 PolarHBondContact O-N 3.34Å; I85-T89 PolarHBondContact O-OG1 3.05Å
86	F	95.8	Very high	90.8	Very high	90 Å²	90	50.2 Å²	50.2	40%	0.395	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-39.8	-178.9	-84.4	-83.3	0	0	0	112.1	L82 Q83 S88 P90 F148 F152	L82-F86 HydrophobicContact CD2-CE2 4.49Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.12Å; L82-F86 PolarHBondContact O-N 3.22Å; Q83-F86 PolarHBondContact O-N 2.98Å; F86-S88 VanDerWaalsContact C-N 3.34Å; F86-S88 PolarHBondContact O-N 3.19Å; F86-P90 WeakPolarHBondContact O-CD 3.44Å; F86-F148 HydrophobicContact CB-CB 4.21Å; F86-F148 HydrophobicContact CB-CD1 4.17Å; F86-F148 HydrophobicContact CB-CD2 4.13Å; F86-F148 HydrophobicContact CB-CG 3.93Å; F86-F148 HydrophobicContact CD1-CD1 4.1Å; F86-F148 AromaticContact CD1-CE1 3.76Å; F86-F148 HydrophobicContact CD1-CE1 3.76Å; F86-F148 HydrophobicContact CD1-CE2 4.28Å; F86-F148 AromaticContact CD1-CZ 3.86Å; F86-F148 HydrophobicContact CD1-CZ 3.86Å; F86-F148 HydrophobicContact CE1-CE1 4.42Å; F86-F148 HydrophobicContact CG-CD1 4.45Å; F86-F148 VanDerWaalsContact O-CD2 3.27Å; F86-F148 WeakPolarHBondContact O-CD2 3.34Å; F86-F152 HydrophobicContact CB-CE2 3.77Å; F86-F152 HydrophobicContact CB-CZ 4.49Å; F86-F152 AromaticContact CD2-CE2 3.8Å; F86-F152 HydrophobicContact CD2-CE2 3.8Å; F86-F152 AromaticContact CD2-CZ 3.68Å; F86-F152 HydrophobicContact CD2-CZ 3.68Å; F86-F152 HydrophobicContact CE2-CZ 4.25Å; F86-F152 AromaticContact CG-CE2 3.91Å; F86-F152 HydrophobicContact CG-CE2 3.91Å; F86-F152 HydrophobicContact CG-CZ 4.27Å
87	V	93.3	Very high	90.3	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-70.2	-31.2	177.4	172.5	0	0	0	0	112.2	Q83 F148 E149	Q83-V87 HydrophobicContact CG-CG2 4.31Å; Q83-V87 VanDerWaalsContact O-CB 3.29Å; Q83-V87 WeakPolarHBondContact O-CB 3.25Å; Q83-V87 WeakPolarHBondContact O-CG2 3.36Å; Q83-V87 PolarHBondContact O-N 3.39Å; V87-F148 HydrophobicContact CG2-CB 3.94Å; V87-E149 HydrophobicContact CG1-CG 4.09Å; V87-E149 HydrophobicContact CG2-CB 4.48Å; V87-E149 HydrophobicContact CG2-CG 3.64Å
88	S	89.3	Confident	89.8	Confident	21 Å²	21	53.9 Å²	53.9	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-75.1	-35.1	177.8	-59	0	0	0	0	113	F32 L84 I85 F86 A91 L92	F32-S88 WeakPolarHBondContact CE2-OG 3.26Å; F32-S88 WeakPolarHBondContact CZ-OG 3.45Å; L84-S88 VanDerWaalsContact O-CB 3.22Å; L84-S88 WeakPolarHBondContact O-CB 3.48Å; L84-S88 PolarHBondContact O-N 3.37Å; L84-S88 PolarHBondContact O-OG 3.49Å; I85-S88 PolarHBondContact O-N 2.83Å; F86-S88 VanDerWaalsContact C-N 3.34Å; F86-S88 PolarHBondContact O-N 3.19Å; S88-A91 WeakPolarHBondContact O-CB 3.45Å; S88-A91 PolarHBondContact O-N 3.37Å; S88-L92 WeakPolarHBondContact O-CG 3.41Å; S88-L92 PolarHBondContact O-N 3.18Å
89	T	91.2	Very high	89.2	Confident	61 Å²	61	48.9 Å²	48.9	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-54.4	-51.3	-172.6	-64.1	0	0	0	0	112.8	I85 A91 L92 L93	I85-T89 PolarHBondContact O-N 3.34Å; I85-T89 PolarHBondContact O-OG1 3.05Å; T89-A91 VanDerWaalsContact C-N 3.3Å; T89-A91 PolarHBondContact O-N 3.42Å; T89-L92 PolarHBondContact O-N 2.95Å; T89-L93 HydrophobicContact CG2-CD1 4.01Å; T89-L93 HydrophobicContact CG2-CG 4.35Å; T89-L93 VanDerWaalsContact O-CG 3.31Å; T89-L93 WeakPolarHBondContact O-CG 3.5Å; T89-L93 PolarHBondContact O-N 2.84Å
90	P	90.1	Very high	88.7	Confident	10 Å²	10	56 Å²	56	7%	0.065	31%	0.305	C	S	.	.	H	α-helix	trans	-60.5	-36.5	177	-23.4	32.7	0	0	0	113.6	F86 L93 V94 F144 R145 F148	F86-P90 WeakPolarHBondContact O-CD 3.44Å; P90-L93 PolarHBondContact O-N 3.49Å; P90-V94 WeakPolarHBondContact O-CG2 3.41Å; P90-V94 PolarHBondContact O-N 3.26Å; P90-F144 HydrophobicContact CG-CB 3.97Å; P90-R145 HydrophobicContact CB-CG 3.95Å; P90-R145 HydrophobicContact CG-CG 4.04Å; P90-F148 HydrophobicContact CG-CD2 4.23Å; P90-F148 HydrophobicContact CG-CE2 4.08Å
91	A	85.9	Confident	88	Confident	38 Å²	38	60 Å²	60	31%	0.314	32%	0.319	S	S	.	.	H	α-helix	trans	-67.9	-42.7	179.2	0	0	0	0	0	111.3	S88 T89 V94 A95	S88-A91 WeakPolarHBondContact O-CB 3.45Å; S88-A91 PolarHBondContact O-N 3.37Å; T89-A91 VanDerWaalsContact C-N 3.3Å; T89-A91 PolarHBondContact O-N 3.42Å; A91-V94 PolarHBondContact O-N 3Å; A91-A95 WeakPolarHBondContact O-CB 3.32Å; A91-A95 PolarHBondContact O-N 2.87Å
92	L	85.5	Confident	87.1	Confident	82 Å²	82	61.1 Å²	61.1	43%	0.429	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-40.4	175.6	-68.1	176.6	0	0	0	112	S88 T89 V94 A95 M96	S88-L92 WeakPolarHBondContact O-CG 3.41Å; S88-L92 PolarHBondContact O-N 3.18Å; T89-L92 PolarHBondContact O-N 2.95Å; L92-V94 PolarHBondContact O-N 3.16Å; L92-A95 PolarHBondContact O-N 2.95Å; L92-M96 VanDerWaalsContact O-CB 3.29Å; L92-M96 WeakPolarHBondContact O-CB 3.28Å; L92-M96 PolarHBondContact O-N 3.34Å
93	L	87	Confident	86.5	Confident	105 Å²	105	66.8 Å²	66.8	55%	0.55	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-42.1	176	-72.8	175.2	0	0	0	112	T89 P90 M96 H97	T89-L93 HydrophobicContact CG2-CD1 4.01Å; T89-L93 HydrophobicContact CG2-CG 4.35Å; T89-L93 VanDerWaalsContact O-CG 3.31Å; T89-L93 WeakPolarHBondContact O-CG 3.5Å; T89-L93 PolarHBondContact O-N 2.84Å; P90-L93 PolarHBondContact O-N 3.49Å; L93-M96 PolarHBondContact O-N 3.34Å; L93-H97 WeakPolarHBondContact O-CB 3.22Å; L93-H97 PolarHBondContact O-N 3.46Å
94	V	84.2	Confident	85.8	Confident	20 Å²	20	68.3 Å²	68.3	12%	0.121	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-45.4	174.2	167.6	0	0	0	0	111.3	P90 A91 L92 M96 H97 V98 Y138 S141	P90-V94 WeakPolarHBondContact O-CG2 3.41Å; P90-V94 PolarHBondContact O-N 3.26Å; A91-V94 PolarHBondContact O-N 3Å; L92-V94 PolarHBondContact O-N 3.16Å; V94-M96 VanDerWaalsContact C-N 3.3Å; V94-M96 PolarHBondContact O-N 3.47Å; V94-H97 PolarHBondContact O-N 2.85Å; V94-V98 WeakPolarHBondContact O-CG2 3.38Å; V94-V98 PolarHBondContact O-N 3.34Å; V94-Y138 HydrophobicContact CG1-CD2 3.95Å; V94-Y138 HydrophobicContact CG1-CE2 4.48Å; V94-S141 VanDerWaalsContact CG2-CB 3.42Å; V94-S141 WeakPolarHBondContact CG2-OG 3.35Å
95	A	80.9	Confident	85.2	Confident	42 Å²	42	70.6 Å²	70.6	35%	0.347	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-42.4	177.3	0	0	0	0	0	111.4	A91 L92 V98 A99	A91-A95 WeakPolarHBondContact O-CB 3.32Å; A91-A95 PolarHBondContact O-N 2.87Å; L92-A95 PolarHBondContact O-N 2.95Å; A95-V98 PolarHBondContact O-N 3.4Å; A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.49Å; A95-A99 PolarHBondContact O-N 3.4Å
96	M	82.8	Confident	84.5	Confident	125 Å²	125	70.5 Å²	70.5	62%	0.616	36%	0.359	S	S	*	.	H	α-helix	trans	-63	-46.2	175	-175.6	-178.4	-179	0	0	111.5	L92 L93 V94 V98 A99 Y100	L92-M96 VanDerWaalsContact O-CB 3.29Å; L92-M96 WeakPolarHBondContact O-CB 3.28Å; L92-M96 PolarHBondContact O-N 3.34Å; L93-M96 PolarHBondContact O-N 3.34Å; V94-M96 VanDerWaalsContact C-N 3.3Å; V94-M96 PolarHBondContact O-N 3.47Å; M96-V98 PolarHBondContact O-N 3.29Å; M96-A99 PolarHBondContact O-N 2.84Å; M96-Y100 VanDerWaalsContact O-CB 3.3Å; M96-Y100 WeakPolarHBondContact O-CB 3.48Å; M96-Y100 PolarHBondContact O-N 3.5Å
97	H	82.1	Confident	83.8	Confident	57 Å²	57	75.9 Å²	75.9	26%	0.264	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-43.5	177.2	176.1	-119.8	0	0	0	111.8	L93 V94 Y100 R101	L93-H97 WeakPolarHBondContact O-CB 3.22Å; L93-H97 PolarHBondContact O-N 3.46Å; V94-H97 PolarHBondContact O-N 2.85Å; H97-Y100 PolarHBondContact O-N 3.21Å; H97-R101 WeakPolarHBondContact O-CG 3.35Å; H97-R101 PolarHBondContact O-N 2.96Å
98	V	81.5	Confident	83.2	Confident	48 Å²	48	80.4 Å²	80.4	29%	0.291	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-45.5	174.8	171.9	0	0	0	0	111.2	V94 A95 M96 Y100 R101 K102 L134	V94-V98 WeakPolarHBondContact O-CG2 3.38Å; V94-V98 PolarHBondContact O-N 3.34Å; A95-V98 PolarHBondContact O-N 3.4Å; M96-V98 PolarHBondContact O-N 3.29Å; V98-Y100 PolarHBondContact O-N 3.39Å; V98-R101 PolarHBondContact O-N 3.27Å; V98-K102 WeakPolarHBondContact O-CB 3.26Å; V98-K102 PolarHBondContact O-N 3.42Å; V98-L134 HydrophobicContact CG2-CD1 3.64Å; V98-L134 HydrophobicContact CG2-CD2 4.38Å
99	A	80.8	Confident	82.7	Confident	46 Å²	46	82.1 Å²	82.1	38%	0.38	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-41.3	178.8	0	0	0	0	0	111.9	A95 M96 K102 R103	A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.49Å; A95-A99 PolarHBondContact O-N 3.4Å; M96-A99 PolarHBondContact O-N 2.84Å; A99-K102 PolarHBondContact O-N 3.23Å; A99-R103 WeakPolarHBondContact O-CG 3.3Å; A99-R103 PolarHBondContact O-N 2.78Å
100	Y	83.3	Confident	82.1	Confident	176 Å²	176	84 Å²	84	69%	0.69	42%	0.419	S	S	*	.	H	α-helix	trans	-61.9	-48.9	176.8	-178.4	-96.9	0	0	0	111.4	M96 H97 V98 K102 R103 G104	M96-Y100 VanDerWaalsContact O-CB 3.3Å; M96-Y100 WeakPolarHBondContact O-CB 3.48Å; M96-Y100 PolarHBondContact O-N 3.5Å; H97-Y100 PolarHBondContact O-N 3.21Å; V98-Y100 PolarHBondContact O-N 3.39Å; Y100-K102 PolarHBondContact O-N 3.29Å; Y100-R103 WeakPolarHBondContact O-CB 3.21Å; Y100-R103 PolarHBondContact O-N 3.02Å; Y100-G104 PolarHBondContact O-N 2.8Å
101	R	80.6	Confident	81.5	Confident	85 Å²	85	87.3 Å²	87.3	32%	0.321	45%	0.447	S	S	.	.	H	α-helix	trans	-61.2	-44.1	176.6	-72.5	-169.2	66.6	159.9	3.2	112.5	H97 V98 R103 G104 D105	H97-R101 WeakPolarHBondContact O-CG 3.35Å; H97-R101 PolarHBondContact O-N 2.96Å; V98-R101 PolarHBondContact O-N 3.27Å; R101-R103 VanDerWaalsContact C-N 3.27Å; R101-R103 PolarHBondContact O-N 2.99Å; R101-G104 PolarHBondContact O-N 2.67Å; R101-G104 VanDerWaalsContact O-N 3.12Å; R101-D105 PolarHBondContact O-N 3.2Å
102	K	77	Confident	81	Confident	78 Å²	78	88.4 Å²	88.4	34%	0.339	45%	0.452	S	S	.	.	H	α-helix	trans	-61.5	-35.8	177.4	-170.4	171.7	-172.8	168.7	0	112.3	V98 A99 Y100 K106 K124	V98-K102 WeakPolarHBondContact O-CB 3.26Å; V98-K102 PolarHBondContact O-N 3.42Å; A99-K102 PolarHBondContact O-N 3.23Å; Y100-K102 PolarHBondContact O-N 3.29Å; K102-K106 WeakPolarHBondContact O-CB 3.5Å; K102-K106 PolarHBondContact O-N 2.83Å; K102-K106 VanDerWaalsContact O-N 3.09Å; K102-K124 PolarHBondContact NZ-O 3.01Å; K102-K124 VanDerWaalsContact NZ-O 3.15Å
103	R	82.2	Confident	79.7	Confident	194 Å²	194	92.2 Å²	92.2	73%	0.732	47%	0.473	S	S	*	.	H	α-helix	trans	-67.7	-40.9	173.7	-74.8	-180	-174.2	-160.9	3.3	112	A99 Y100 R101 R107	A99-R103 WeakPolarHBondContact O-CG 3.3Å; A99-R103 PolarHBondContact O-N 2.78Å; Y100-R103 WeakPolarHBondContact O-CB 3.21Å; Y100-R103 PolarHBondContact O-N 3.02Å; R101-R103 VanDerWaalsContact C-N 3.27Å; R101-R103 PolarHBondContact O-N 2.99Å; R103-R107 PolarHBondContact O-N 3.27Å
104	G	81.9	Confident	78.3	Confident	36 Å²	36	95.1 Å²	95.1	37%	0.371	48%	0.483	S	S	.	.	H	α-helix	trans	-59.1	-53.9	174.2	0	0	0	0	0	112.1	Y100 R101 K106 R107 T108	Y100-G104 PolarHBondContact O-N 2.8Å; R101-G104 PolarHBondContact O-N 2.67Å; R101-G104 VanDerWaalsContact O-N 3.12Å; G104-K106 VanDerWaalsContact C-N 3.3Å; G104-K106 PolarHBondContact O-N 2.96Å; G104-R107 WeakPolarHBondContact O-CB 3.31Å; G104-R107 PolarHBondContact O-N 2.94Å; G104-T108 PolarHBondContact O-N 3.01Å; G104-T108 PolarHBondContact O-OG1 2.9Å
105	D	79.6	Confident	77	Confident	62 Å²	62	99 Å²	99	33%	0.332	51%	0.507	S	S	.	.	H	α-helix	trans	-58	-42.5	179.2	-64.7	-14	0	0	0	111.6	R101 R107 T108 I109 L123	R101-D105 PolarHBondContact O-N 3.2Å; D105-R107 VanDerWaalsContact C-N 3.31Å; D105-R107 PolarHBondContact O-N 3.32Å; D105-T108 PolarHBondContact O-N 3Å; D105-I109 WeakPolarHBondContact O-CG1 3.38Å; D105-I109 PolarHBondContact O-N 3.05Å; D105-I109 VanDerWaalsContact O-N 3.1Å; D105-L123 HydrophobicContact CB-CD2 4.25Å
106	K	79.3	Confident	76.1	Confident	100 Å²	100	103.4 Å²	103.4	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-59.6	-41	175.1	-178.6	179	174.8	-178.7	0	111.7	K102 G104 I109 L110 L120	K102-K106 WeakPolarHBondContact O-CB 3.5Å; K102-K106 PolarHBondContact O-N 2.83Å; K102-K106 VanDerWaalsContact O-N 3.09Å; G104-K106 VanDerWaalsContact C-N 3.3Å; G104-K106 PolarHBondContact O-N 2.96Å; K106-I109 PolarHBondContact O-N 3.38Å; K106-L110 HydrophobicContact CG-CD1 3.86Å; K106-L110 WeakPolarHBondContact O-CB 3.28Å; K106-L110 WeakPolarHBondContact O-CD1 3.38Å; K106-L110 VanDerWaalsContact O-CG 3.29Å; K106-L110 WeakPolarHBondContact O-CG 3.37Å; K106-L110 PolarHBondContact O-N 3.06Å; K106-L120 HydrophobicContact CD-CD1 3.99Å; K106-L120 HydrophobicContact CG-CD1 4.03Å
107	R	82.1	Confident	75	Confident	203 Å²	203	106.6 Å²	106.6	77%	0.766	53%	0.531	S	S	*	.	H	α-helix	trans	-69	-38.6	-179.7	-173.6	171	173.7	173.5	-3.1	111.9	R103 G104 D105 A111	R103-R107 PolarHBondContact O-N 3.27Å; G104-R107 WeakPolarHBondContact O-CB 3.31Å; G104-R107 PolarHBondContact O-N 2.94Å; D105-R107 VanDerWaalsContact C-N 3.31Å; D105-R107 PolarHBondContact O-N 3.32Å; R107-A111 WeakPolarHBondContact O-CB 3.4Å; R107-A111 PolarHBondContact O-N 3.18Å; R107-A111 VanDerWaalsContact O-N 3.14Å
108	T	80.5	Confident	73.8	Confident	100 Å²	100	106 Å²	106	61%	0.613	53%	0.533	S	S	*	.	H	α-helix	trans	-64.2	-41.2	175.3	-54.4	0	0	0	0	111.9	G104 D105 A111 S112	G104-T108 PolarHBondContact O-N 3.01Å; G104-T108 PolarHBondContact O-OG1 2.9Å; D105-T108 PolarHBondContact O-N 3Å; T108-A111 PolarHBondContact O-N 3.08Å; T108-S112 PolarHBondContact O-N 3.32Å; T108-S112 VanDerWaalsContact O-N 3.16Å
109	I	78.1	Confident	72.8	Confident	57 Å²	57	107.1 Å²	107.1	29%	0.292	54%	0.537	S	S	.	.	H	α-helix	trans	-73	-34.4	-178.8	-68.5	168.3	0	0	0	111.8	D105 K106 A111 S112 L123	D105-I109 WeakPolarHBondContact O-CG1 3.38Å; D105-I109 PolarHBondContact O-N 3.05Å; D105-I109 VanDerWaalsContact O-N 3.1Å; K106-I109 PolarHBondContact O-N 3.38Å; I109-A111 PolarHBondContact O-N 3.1Å; I109-S112 PolarHBondContact O-N 3.45Å; I109-S112 VanDerWaalsContact O-O 3.13Å; I109-S112 PolarHBondContact O-OG 3.05Å; I109-L123 HydrophobicContact CB-CD1 4.28Å; I109-L123 HydrophobicContact CD1-CD1 3.27Å; I109-L123 HydrophobicContact CD1-CD2 3.83Å; I109-L123 HydrophobicContact CD1-CG 3.91Å; I109-L123 HydrophobicContact CG1-CD1 4.33Å; I109-L123 HydrophobicContact CG2-CD1 4.2Å
110	L	79	Confident	71.8	Confident	101 Å²	101	108.4 Å²	108.4	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-66.4	-25.1	170.1	-75	161.9	0	0	0	113.1	K106 T115	K106-L110 HydrophobicContact CG-CD1 3.86Å; K106-L110 WeakPolarHBondContact O-CB 3.28Å; K106-L110 WeakPolarHBondContact O-CD1 3.38Å; K106-L110 VanDerWaalsContact O-CG 3.29Å; K106-L110 WeakPolarHBondContact O-CG 3.37Å; K106-L110 PolarHBondContact O-N 3.06Å; L110-T115 HydrophobicContact CD2-CG2 4.19Å
111	A	78.3	Confident	70.8	Confident	79 Å²	79	105.4 Å²	105.4	65%	0.653	53%	0.53	S	S	*	.	H	α-helix	trans	-84.9	-20.9	178.2	0	0	0	0	0	113.1	R107 T108 I109	R107-A111 WeakPolarHBondContact O-CB 3.4Å; R107-A111 PolarHBondContact O-N 3.18Å; R107-A111 VanDerWaalsContact O-N 3.14Å; T108-A111 PolarHBondContact O-N 3.08Å; I109-A111 PolarHBondContact O-N 3.1Å
112	S	75.2	Confident	69.7	Low	60 Å²	60	105.9 Å²	105.9	42%	0.42	54%	0.539	S	S	.	.	S	Bend	trans	-79.4	119.1	166.9	58.4	0	0	0	0	109.3	T108 I109 H114	T108-S112 PolarHBondContact O-N 3.32Å; T108-S112 VanDerWaalsContact O-N 3.16Å; I109-S112 PolarHBondContact O-N 3.45Å; I109-S112 VanDerWaalsContact O-O 3.13Å; I109-S112 PolarHBondContact O-OG 3.05Å; S112-H114 PolarHBondContact O-N 3.32Å
113	N	56.8	Low	68.9	Low	162 Å²	162	103.4 Å²	103.4	87%	0.866	53%	0.529	S	S	*	.	S	Bend	trans	-58.5	10.4	-174.6	-87.3	-16.5	0	0	0	117.2
114	H	58.6	Low	67.7	Low	167 Å²	167	100.7 Å²	100.7	77%	0.773	52%	0.523	S	S	*	.			trans	-103.5	74.4	170.6	-85	-74.9	0	0	0	110.2	S112 E116	S112-H114 PolarHBondContact O-N 3.32Å; H114-E116 PolarHBondContact O-N 3.07Å
115	T	57.5	Low	66.3	Low	102 Å²	102	107.6 Å²	107.6	63%	0.626	54%	0.542	S	S	*	.			trans	-84.5	87.2	174.1	32.3	0	0	0	0	111.2	L110	L110-T115 HydrophobicContact CD2-CG2 4.19Å
116	E	61.4	Low	64.9	Low	133 Å²	133	113.2 Å²	113.2	62%	0.621	56%	0.559	S	S	*	*			trans	-90.7	128	164.8	-144.5	-175.5	-150.5	0	0	109	H114 S118 D119	H114-E116 PolarHBondContact O-N 3.07Å; E116-S118 VanDerWaalsContact CB-OG 3.23Å; E116-S118 WeakPolarHBondContact CB-OG 3.48Å; E116-S118 WeakPolarHBondContact CG-OG 3.3Å; E116-S118 PolarHBondContact O-N 3.47Å; E116-S118 VanDerWaalsContact O-N 3.09Å; E116-S118 PolarHBondContact OE2-OG 3.41Å; E116-D119 PolarHBondContact O-N 3.12Å
117	K	58.9	Low	63.7	Low	192 Å²	192	115.3 Å²	115.3	84%	0.835	56%	0.564	S	S	*	*	H	α-helix	trans	-57.6	-24.5	179.5	-77.7	177.6	178.5	171.7	0	112.3	E121	K117-E121 PolarHBondContact O-N 3.18Å
118	S	57.6	Low	62.5	Low	44 Å²	44	108 Å²	108	31%	0.308	54%	0.54	S	S	.	.	H	α-helix	trans	-57.4	-42.9	172.6	51.3	0	0	0	0	112.4	E116 E121 N122	E116-S118 VanDerWaalsContact CB-OG 3.23Å; E116-S118 WeakPolarHBondContact CB-OG 3.48Å; E116-S118 WeakPolarHBondContact CG-OG 3.3Å; E116-S118 PolarHBondContact O-N 3.47Å; E116-S118 VanDerWaalsContact O-N 3.09Å; E116-S118 PolarHBondContact OE2-OG 3.41Å; S118-E121 PolarHBondContact O-N 3.17Å; S118-N122 VanDerWaalsContact O-CB 3.29Å; S118-N122 WeakPolarHBondContact O-CB 3.4Å; S118-N122 PolarHBondContact O-N 3.5Å; S118-N122 PolarHBondContact O-ND2 3.46Å; S118-N122 VanDerWaalsContact O-ND2 3.09Å
119	D	59.2	Low	61.2	Low	72 Å²	72	107.5 Å²	107.5	39%	0.385	54%	0.539	S	S	.	.	H	α-helix	trans	-70.8	-34.8	-177.7	-78.8	-27.1	0	0	0	113	E116 N122 L123	E116-D119 PolarHBondContact O-N 3.12Å; D119-N122 PolarHBondContact O-N 3.15Å; D119-L123 WeakPolarHBondContact O-CB 3.41Å; D119-L123 WeakPolarHBondContact O-CD1 3.38Å; D119-L123 WeakPolarHBondContact O-CG 3.41Å; D119-L123 PolarHBondContact O-N 3.32Å
120	L	61.8	Low	60.2	Low	74 Å²	74	107.6 Å²	107.6	39%	0.387	54%	0.539	S	S	.	.	H	α-helix	trans	-68.8	-40.5	174.8	-176.7	61.1	0	0	0	112	K106 K124	K106-L120 HydrophobicContact CD-CD1 3.99Å; K106-L120 HydrophobicContact CG-CD1 4.03Å; L120-K124 WeakPolarHBondContact O-CB 3.48Å; L120-K124 PolarHBondContact O-N 2.98Å
121	E	60.5	Low	59	Low	112 Å²	112	106.4 Å²	106.4	52%	0.523	54%	0.536	S	S	.	.	H	α-helix	trans	-67.9	-38.5	173.1	-79.2	-63.1	133	0	0	111.4	K117 S118 K124 K125	K117-E121 PolarHBondContact O-N 3.18Å; S118-E121 PolarHBondContact O-N 3.17Å; E121-K124 WeakPolarHBondContact O-CB 3.47Å; E121-K124 PolarHBondContact O-N 3.38Å; E121-K124 IonicContact OE1-NZ 3.99Å; E121-K125 WeakPolarHBondContact O-CB 3.36Å; E121-K125 PolarHBondContact O-N 3.25Å
122	N	58.4	Low	58.7	Low	95 Å²	95	104.9 Å²	104.9	51%	0.508	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-41.7	174.2	-75	-32.3	0	0	0	112.2	S118 D119 K124 K125 R126	S118-N122 VanDerWaalsContact O-CB 3.29Å; S118-N122 WeakPolarHBondContact O-CB 3.4Å; S118-N122 PolarHBondContact O-N 3.5Å; S118-N122 PolarHBondContact O-ND2 3.46Å; S118-N122 VanDerWaalsContact O-ND2 3.09Å; D119-N122 PolarHBondContact O-N 3.15Å; N122-K124 VanDerWaalsContact C-N 3.34Å; N122-K124 PolarHBondContact O-N 2.99Å; N122-K125 CarbonylContact O-C 3.48Å; N122-K125 PolarHBondContact O-N 3.39Å; N122-R126 WeakPolarHBondContact O-CA 3.31Å; N122-R126 VanDerWaalsContact O-CB 3.27Å; N122-R126 WeakPolarHBondContact O-CB 3.24Å; N122-R126 PolarHBondContact O-N 3.49Å
123	L	59.6	Low	58.5	Low	26 Å²	26	106.3 Å²	106.3	14%	0.136	54%	0.536	C	S	.	.	H	α-helix	trans	-62	-38.2	171.2	-85.7	151.9	0	0	0	113.2	D105 I109 D119 K125 R126	D105-L123 HydrophobicContact CB-CD2 4.25Å; I109-L123 HydrophobicContact CB-CD1 4.28Å; I109-L123 HydrophobicContact CD1-CD1 3.27Å; I109-L123 HydrophobicContact CD1-CD2 3.83Å; I109-L123 HydrophobicContact CD1-CG 3.91Å; I109-L123 HydrophobicContact CG1-CD1 4.33Å; I109-L123 HydrophobicContact CG2-CD1 4.2Å; D119-L123 WeakPolarHBondContact O-CB 3.41Å; D119-L123 WeakPolarHBondContact O-CD1 3.38Å; D119-L123 WeakPolarHBondContact O-CG 3.41Å; D119-L123 PolarHBondContact O-N 3.32Å; L123-K125 VanDerWaalsContact C-N 3.25Å; L123-K125 PolarHBondContact O-N 3.03Å; L123-R126 PolarHBondContact O-N 3.47Å
124	K	57.5	Low	59.3	Low	138 Å²	138	99.2 Å²	99.2	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-64.6	-37.6	178.1	-168.1	177.2	176.4	-172.8	0	110.4	K102 L120 E121 N122	K102-K124 PolarHBondContact NZ-O 3.01Å; K102-K124 VanDerWaalsContact NZ-O 3.15Å; L120-K124 WeakPolarHBondContact O-CB 3.48Å; L120-K124 PolarHBondContact O-N 2.98Å; E121-K124 WeakPolarHBondContact O-CB 3.47Å; E121-K124 PolarHBondContact O-N 3.38Å; E121-K124 IonicContact OE1-NZ 3.99Å; N122-K124 VanDerWaalsContact C-N 3.34Å; N122-K124 PolarHBondContact O-N 2.99Å
125	K	52.1	Low	60.2	Low	180 Å²	180	94.1 Å²	94.1	78%	0.783	47%	0.472	S	S	*	.	H	α-helix	trans	-87.5	-18	-179.9	-156.1	173.7	-175.2	-178.1	0	114.1	E121 N122 L123 R127	E121-K125 WeakPolarHBondContact O-CB 3.36Å; E121-K125 PolarHBondContact O-N 3.25Å; N122-K125 CarbonylContact O-C 3.48Å; N122-K125 PolarHBondContact O-N 3.39Å; L123-K125 VanDerWaalsContact C-N 3.25Å; L123-K125 PolarHBondContact O-N 3.03Å; K125-R127 PolarHBondContact O-N 3.45Å; K125-R127 VanDerWaalsContact O-N 3.15Å
126	R	51	Low	61.4	Low	181 Å²	181	97.5 Å²	97.5	68%	0.683	47%	0.473	S	S	*	.			trans	-67.4	112.5	-179.4	-154.7	177.5	-168.8	-156.9	5.4	109.2	N122 L123 L128	N122-R126 WeakPolarHBondContact O-CA 3.31Å; N122-R126 VanDerWaalsContact O-CB 3.27Å; N122-R126 WeakPolarHBondContact O-CB 3.24Å; N122-R126 PolarHBondContact O-N 3.49Å; L123-R126 PolarHBondContact O-N 3.47Å; R126-L128 PolarHBondContact O-N 3.12Å
127	R	53.5	Low	62.5	Low	144 Å²	144	93.3 Å²	93.3	54%	0.543	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-66.7	117.1	163.5	-65.1	-148.4	-153.1	170.1	19.2	107.3	H19 S20 K125 P129	H19-R127 PolarHBondContact O-NE 3.06Å; H19-R127 PolarHBondContact O-NH2 3.31Å; S20-R127 VanDerWaalsContact CA-NH2 3.31Å; S20-R127 PolarHBondContact O-NH1 2.88Å; S20-R127 PolarHBondContact O-NH2 2.92Å; S20-R127 PolarHBondContact OG-NH2 3.43Å; K125-R127 PolarHBondContact O-N 3.45Å; K125-R127 VanDerWaalsContact O-N 3.15Å; R127-P129 VanDerWaalsContact O-CD 3.23Å; R127-P129 WeakPolarHBondContact O-CD 3.46Å
128	L	55.9	Low	63.7	Low	49 Å²	49	85.5 Å²	85.5	26%	0.257	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-58.8	117.3	167.8	-80.7	100.7	0	0	0	106.8	R126 I130 L134	R126-L128 PolarHBondContact O-N 3.12Å; L128-I130 PolarHBondContact O-N 3Å; L128-L134 HydrophobicContact CB-CD2 3.93Å; L128-L134 HydrophobicContact CD2-CD2 4.41Å
129	P	53.2	Low	65	Low	90 Å²	90	84.5 Å²	84.5	58%	0.584	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-60	131.2	177.2	25.3	-32.3	0	0	0	107.1	R127 T131	R127-P129 VanDerWaalsContact O-CD 3.23Å; R127-P129 WeakPolarHBondContact O-CD 3.46Å; P129-T131 PolarHBondContact O-N 3.4Å
130	I	58.2	Low	66.5	Low	59 Å²	59	82.9 Å²	82.9	30%	0.303	41%	0.408	S	S	.	.	S	Bend	trans	-69.9	75.5	174.8	-47.2	175.6	0	0	0	107.5	L128 W135	L128-I130 PolarHBondContact O-N 3Å; I130-W135 HydrophobicContact CG2-CB 3.85Å; I130-W135 HydrophobicContact CG2-CG 4.1Å
131	T	54.5	Low	67.8	Low	76 Å²	76	79.7 Å²	79.7	47%	0.466	39%	0.392	S	S	.	.			trans	-142.8	137.2	-172.7	-54.5	0	0	0	0	108.3	P129	P129-T131 PolarHBondContact O-N 3.4Å
132	G	71.1	Confident	69.2	Low	47 Å²	47	74.4 Å²	74.4	49%	0.485	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-142.6	-177.5	0	0	0	0	0	113.2	L134 W135	G132-L134 PolarHBondContact O-N 2.92Å; G132-L134 VanDerWaalsContact O-N 3.15Å; G132-W135 WeakPolarHBondContact O-CB 3.49Å; G132-W135 PolarHBondContact O-N 3.09Å
133	P	71.4	Confident	70.8	Confident	89 Å²	89	75.1 Å²	75.1	58%	0.578	37%	0.366	S	S	*	.	H	α-helix	trans	-57.9	-31.5	-172.7	-26.3	33.8	0	0	0	114.8	W135 W136 T137	P133-W135 VanDerWaalsContact C-N 3.3Å; P133-W135 PolarHBondContact O-N 2.97Å; P133-W136 PolarHBondContact O-N 3.23Å; P133-T137 PolarHBondContact O-N 3.24Å; P133-T137 VanDerWaalsContact O-N 3.11Å; P133-T137 PolarHBondContact O-OG1 3.32Å
134	L	73.9	Confident	72.5	Confident	14 Å²	14	78.7 Å²	78.7	7%	0.073	38%	0.381	C	S	.	.	H	α-helix	trans	-68	-31.4	180	-174.1	62.5	0	0	0	112.3	V98 L128 G132 T137 Y138	V98-L134 HydrophobicContact CG2-CD1 3.64Å; V98-L134 HydrophobicContact CG2-CD2 4.38Å; L128-L134 HydrophobicContact CB-CD2 3.93Å; L128-L134 HydrophobicContact CD2-CD2 4.41Å; G132-L134 PolarHBondContact O-N 2.92Å; G132-L134 VanDerWaalsContact O-N 3.15Å; L134-T137 WeakPolarHBondContact CA-OG1 3.35Å; L134-T137 PolarHBondContact O-OG1 2.93Å; L134-Y138 WeakPolarHBondContact O-CB 3.3Å; L134-Y138 PolarHBondContact O-N 3.23Å; L134-Y138 VanDerWaalsContact O-N 3.09Å
135	W	77.8	Confident	74.2	Confident	60 Å²	60	73.8 Å²	73.8	23%	0.227	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-44.6	173.8	-175	87.9	0	0	0	110.6	I130 G132 P133 Y138 T139 A219	I130-W135 HydrophobicContact CG2-CB 3.85Å; I130-W135 HydrophobicContact CG2-CG 4.1Å; G132-W135 WeakPolarHBondContact O-CB 3.49Å; G132-W135 PolarHBondContact O-N 3.09Å; P133-W135 VanDerWaalsContact C-N 3.3Å; P133-W135 PolarHBondContact O-N 2.97Å; W135-Y138 WeakPolarHBondContact O-CB 3.26Å; W135-Y138 PolarHBondContact O-N 3.22Å; W135-T139 PolarHBondContact O-N 3.34Å; W135-T139 PolarHBondContact O-OG1 2.91Å; W135-A219 HydrophobicContact CZ2-CB 3.92Å
136	W	82.1	Confident	76.2	Confident	172 Å²	172	66.7 Å²	66.7	65%	0.652	33%	0.329	S	S	*	.	H	α-helix	trans	-60.8	-50	177.9	-172.5	-104.9	0	0	0	112.1	P133 Y138 T139 C140	P133-W136 PolarHBondContact O-N 3.23Å; W136-Y138 PolarHBondContact O-N 3.31Å; W136-T139 PolarHBondContact O-N 3.37Å; W136-C140 WeakPolarHBondContact O-CB 3.45Å; W136-C140 PolarHBondContact O-N 2.92Å; W136-C140 PolarHBondContact O-SG 3.44Å; W136-C140 VanDerWaalsContact O-SG 3.33Å
137	T	83.9	Confident	78.4	Confident	45 Å²	45	61.9 Å²	61.9	28%	0.276	32%	0.316	S	S	.	.	H	α-helix	trans	-59.4	-36	177.3	54.7	0	0	0	0	112.4	P133 L134 S141	P133-T137 PolarHBondContact O-N 3.24Å; P133-T137 VanDerWaalsContact O-N 3.11Å; P133-T137 PolarHBondContact O-OG1 3.32Å; L134-T137 WeakPolarHBondContact CA-OG1 3.35Å; L134-T137 PolarHBondContact O-OG1 2.93Å; T137-S141 WeakPolarHBondContact O-CB 3.34Å; T137-S141 PolarHBondContact O-N 3.44Å
138	Y	84.4	Confident	80.5	Confident	28 Å²	28	57.6 Å²	57.6	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-48.9	177.7	-166.5	-102.4	0	0	0	111.7	K25 V94 L134 W135 W136 C140 S141 L142 E211 L215	K25-Y138 WeakPolarHBondContact CE-OH 3.47Å; V94-Y138 HydrophobicContact CG1-CD2 3.95Å; V94-Y138 HydrophobicContact CG1-CE2 4.48Å; L134-Y138 WeakPolarHBondContact O-CB 3.3Å; L134-Y138 PolarHBondContact O-N 3.23Å; L134-Y138 VanDerWaalsContact O-N 3.09Å; W135-Y138 WeakPolarHBondContact O-CB 3.26Å; W135-Y138 PolarHBondContact O-N 3.22Å; W136-Y138 PolarHBondContact O-N 3.31Å; Y138-C140 PolarHBondContact O-N 3.36Å; Y138-S141 WeakPolarHBondContact O-CB 3.46Å; Y138-S141 PolarHBondContact O-N 3.36Å; Y138-S141 VanDerWaalsContact O-N 3.12Å; Y138-S141 PolarHBondContact O-OG 2.93Å; Y138-L142 HydrophobicContact CD1-CD1 3.94Å; Y138-L142 HydrophobicContact CD1-CG 4.34Å; Y138-L142 HydrophobicContact CE1-CD1 3.63Å; Y138-L142 HydrophobicContact CE1-CD2 4.45Å; Y138-L142 HydrophobicContact CE1-CG 4.09Å; Y138-L142 PolarHBondContact O-N 3.13Å; Y138-E211 HydrophobicContact CE1-CG 4.42Å; Y138-E211 PolarHBondContact OH-OE1 3.21Å; Y138-E211 PolarHBondContact OH-OE2 3.06Å; Y138-L215 HydrophobicContact CD1-CD1 3.45Å; Y138-L215 VanDerWaalsContact CD1-CD1 3.45Å; Y138-L215 HydrophobicContact CE1-CD1 3.57Å
139	T	85.6	Confident	82.4	Confident	24 Å²	24	55.5 Å²	55.5	15%	0.147	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-45.9	178.1	-55.5	0	0	0	0	111.3	W135 W136 S141 L142 F143 L212	W135-T139 PolarHBondContact O-N 3.34Å; W135-T139 PolarHBondContact O-OG1 2.91Å; W136-T139 PolarHBondContact O-N 3.37Å; T139-S141 VanDerWaalsContact C-N 3.29Å; T139-S141 PolarHBondContact O-N 3.03Å; T139-L142 PolarHBondContact O-N 2.96Å; T139-F143 PolarHBondContact O-N 3.05Å; T139-L212 HydrophobicContact CG2-CD1 3.96Å
140	C	89.3	Confident	84.4	Confident	37 Å²	37	52.3 Å²	52.3	25%	0.25	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-40.9	174	-68.1	0	0	0	0	111.6	W136 Y138 L142 F143 F144	W136-C140 WeakPolarHBondContact O-CB 3.45Å; W136-C140 PolarHBondContact O-N 2.92Å; W136-C140 PolarHBondContact O-SG 3.44Å; W136-C140 VanDerWaalsContact O-SG 3.33Å; Y138-C140 PolarHBondContact O-N 3.36Å; C140-L142 PolarHBondContact O-N 3.32Å; C140-F143 PolarHBondContact O-N 3.33Å; C140-F144 WeakPolarHBondContact O-CD2 3.38Å; C140-F144 PolarHBondContact O-N 2.92Å
141	S	89.8	Confident	86.3	Confident	8 Å²	8	51.3 Å²	51.3	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-41.7	177.9	81.5	0	0	0	0	112.8	V94 T137 Y138 T139 F143 F144 R145	V94-S141 VanDerWaalsContact CG2-CB 3.42Å; V94-S141 WeakPolarHBondContact CG2-OG 3.35Å; T137-S141 WeakPolarHBondContact O-CB 3.34Å; T137-S141 PolarHBondContact O-N 3.44Å; Y138-S141 WeakPolarHBondContact O-CB 3.46Å; Y138-S141 PolarHBondContact O-N 3.36Å; Y138-S141 VanDerWaalsContact O-N 3.12Å; Y138-S141 PolarHBondContact O-OG 2.93Å; T139-S141 VanDerWaalsContact C-N 3.29Å; T139-S141 PolarHBondContact O-N 3.03Å; S141-F143 VanDerWaalsContact C-N 3.34Å; S141-F144 PolarHBondContact O-N 3Å; S141-R145 WeakPolarHBondContact O-CB 3.41Å; S141-R145 WeakPolarHBondContact O-CG 3.38Å; S141-R145 PolarHBondContact O-N 3.39Å
142	L	89.8	Confident	88.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-41.3	177.5	-69.2	177.7	0	0	0	111	Y138 T139 C140 R145 L146 E211 L212 L215	Y138-L142 HydrophobicContact CD1-CD1 3.94Å; Y138-L142 HydrophobicContact CD1-CG 4.34Å; Y138-L142 HydrophobicContact CE1-CD1 3.63Å; Y138-L142 HydrophobicContact CE1-CD2 4.45Å; Y138-L142 HydrophobicContact CE1-CG 4.09Å; Y138-L142 PolarHBondContact O-N 3.13Å; T139-L142 PolarHBondContact O-N 2.96Å; C140-L142 PolarHBondContact O-N 3.32Å; L142-R145 PolarHBondContact O-N 2.98Å; L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 2.84Å; L142-E211 HydrophobicContact CD1-CG 4.08Å; L142-L212 HydrophobicContact CD1-CB 4.37Å; L142-L212 HydrophobicContact CD1-CD1 4.47Å; L142-L215 HydrophobicContact CD1-CD1 3.78Å
143	F	92.1	Very high	89.5	Confident	111 Å²	111	49 Å²	49	49%	0.487	25%	0.25	S	C	.	.	H	α-helix	trans	-59.9	-50.1	175.7	176.6	-105	0	0	0	112.1	T139 C140 S141 R145 L146 I147	T139-F143 PolarHBondContact O-N 3.05Å; C140-F143 PolarHBondContact O-N 3.33Å; S141-F143 VanDerWaalsContact C-N 3.34Å; F143-R145 VanDerWaalsContact C-N 3.31Å; F143-R145 PolarHBondContact O-N 2.93Å; F143-L146 PolarHBondContact O-N 3.27Å; F143-I147 HydrophobicContact CD1-CD1 3.84Å; F143-I147 HydrophobicContact CE1-CD1 3.26Å; F143-I147 HydrophobicContact CE1-CG1 4.4Å; F143-I147 HydrophobicContact CE2-CD1 4.01Å; F143-I147 HydrophobicContact CG-CD1 4.45Å; F143-I147 HydrophobicContact CZ-CD1 3.37Å; F143-I147 HydrophobicContact CZ-CG1 4.32Å; F143-I147 PolarHBondContact O-N 3.46Å
144	F	94.7	Very high	90.6	Very high	100 Å²	100	52.2 Å²	52.2	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-37	176.4	-77.8	-64.9	0	0	0	112.5	P90 C140 S141 L146 I147 F148	P90-F144 HydrophobicContact CG-CB 3.97Å; C140-F144 WeakPolarHBondContact O-CD2 3.38Å; C140-F144 PolarHBondContact O-N 2.92Å; S141-F144 PolarHBondContact O-N 3Å; F144-L146 VanDerWaalsContact C-N 3.35Å; F144-L146 PolarHBondContact O-N 3.08Å; F144-I147 PolarHBondContact O-N 3.42Å; F144-F148 HydrophobicContact CB-CD2 4.38Å; F144-F148 HydrophobicContact CB-CE2 4.05Å; F144-F148 HydrophobicContact CD1-CZ 4.45Å; F144-F148 WeakPolarHBondContact O-CD2 3.43Å; F144-F148 WeakPolarHBondContact O-CG 3.45Å; F144-F148 PolarHBondContact O-N 3.29Å
145	R	93.3	Very high	91.6	Very high	35 Å²	35	53.2 Å²	53.2	13%	0.132	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-41.3	174.9	-72.8	172	77.5	-157.9	-0.8	112.1	P90 S141 L142 F143 F148 E149 N208	P90-R145 HydrophobicContact CB-CG 3.95Å; P90-R145 HydrophobicContact CG-CG 4.04Å; S141-R145 WeakPolarHBondContact O-CB 3.41Å; S141-R145 WeakPolarHBondContact O-CG 3.38Å; S141-R145 PolarHBondContact O-N 3.39Å; L142-R145 PolarHBondContact O-N 2.98Å; F143-R145 VanDerWaalsContact C-N 3.31Å; F143-R145 PolarHBondContact O-N 2.93Å; R145-F148 PolarHBondContact O-N 2.86Å; R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 WeakPolarHBondContact O-CG 3.35Å; R145-E149 PolarHBondContact O-N 3.03Å; R145-N208 PolarHBondContact NH1-OD1 3.02Å
146	L	94.9	Very high	92.4	Very high	32 Å²	32	50.6 Å²	50.6	17%	0.168	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-42.7	175.2	-71.9	173.1	0	0	0	111.9	L142 F143 F144 G150 M205 N208 V209 L212	L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 2.84Å; F143-L146 PolarHBondContact O-N 3.27Å; F144-L146 VanDerWaalsContact C-N 3.35Å; F144-L146 PolarHBondContact O-N 3.08Å; L146-G150 PolarHBondContact O-N 3.14Å; L146-M205 HydrophobicContact CD2-CG 3.88Å; L146-N208 HydrophobicContact CD2-CB 3.69Å; L146-N208 HydrophobicContact CG-CB 4.2Å; L146-V209 HydrophobicContact CD1-CG2 4.06Å; L146-V209 HydrophobicContact CD2-CG2 3.57Å; L146-V209 HydrophobicContact CG-CG2 4.49Å; L146-L212 HydrophobicContact CD1-CD2 3.76Å
147	I	96.9	Very high	93	Very high	80 Å²	80	48.3 Å²	48.3	41%	0.41	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-47.2	175.5	-71.7	175.9	0	0	0	110.9	F143 F144 G151	F143-I147 HydrophobicContact CD1-CD1 3.84Å; F143-I147 HydrophobicContact CE1-CD1 3.26Å; F143-I147 HydrophobicContact CE1-CG1 4.4Å; F143-I147 HydrophobicContact CE2-CD1 4.01Å; F143-I147 HydrophobicContact CG-CD1 4.45Å; F143-I147 HydrophobicContact CZ-CD1 3.37Å; F143-I147 HydrophobicContact CZ-CG1 4.32Å; F143-I147 PolarHBondContact O-N 3.46Å; F144-I147 PolarHBondContact O-N 3.42Å; I147-G151 WeakPolarHBondContact O-CA 3.35Å; I147-G151 PolarHBondContact O-N 2.94Å
148	F	96.9	Very high	93.5	Very high	54 Å²	54	52.7 Å²	52.7	24%	0.237	26%	0.259	C	S	.	.	H	α-helix	trans	-68.3	-47.2	-179.1	-65.2	-43.7	0	0	0	111.9	F86 V87 P90 F144 R145 G150 G151 F152	F86-F148 HydrophobicContact CB-CB 4.21Å; F86-F148 HydrophobicContact CB-CD1 4.17Å; F86-F148 HydrophobicContact CB-CD2 4.13Å; F86-F148 HydrophobicContact CB-CG 3.93Å; F86-F148 HydrophobicContact CD1-CD1 4.1Å; F86-F148 AromaticContact CD1-CE1 3.76Å; F86-F148 HydrophobicContact CD1-CE1 3.76Å; F86-F148 HydrophobicContact CD1-CE2 4.28Å; F86-F148 AromaticContact CD1-CZ 3.86Å; F86-F148 HydrophobicContact CD1-CZ 3.86Å; F86-F148 HydrophobicContact CE1-CE1 4.42Å; F86-F148 HydrophobicContact CG-CD1 4.45Å; F86-F148 VanDerWaalsContact O-CD2 3.27Å; F86-F148 WeakPolarHBondContact O-CD2 3.34Å; V87-F148 HydrophobicContact CG2-CB 3.94Å; P90-F148 HydrophobicContact CG-CD2 4.23Å; P90-F148 HydrophobicContact CG-CE2 4.08Å; F144-F148 HydrophobicContact CB-CD2 4.38Å; F144-F148 HydrophobicContact CB-CE2 4.05Å; F144-F148 HydrophobicContact CD1-CZ 4.45Å; F144-F148 WeakPolarHBondContact O-CD2 3.43Å; F144-F148 WeakPolarHBondContact O-CG 3.45Å; F144-F148 PolarHBondContact O-N 3.29Å; R145-F148 PolarHBondContact O-N 2.86Å; F148-G150 PolarHBondContact O-N 3.38Å; F148-G151 PolarHBondContact O-N 3.1Å; F148-F152 WeakPolarHBondContact O-CB 3.46Å; F148-F152 VanDerWaalsContact O-CD2 3.28Å; F148-F152 WeakPolarHBondContact O-CD2 3.24Å; F148-F152 PolarHBondContact O-N 3.31Å
149	E	96	Very high	93.9	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-50.5	176.1	-76.8	-73.2	-164.6	0	0	111.5	R35 Q83 V87 R145 M153	R35-E149 IonicContact CZ-OE2 2.8Å; R35-E149 VanDerWaalsContact NH1-CD 3.32Å; R35-E149 IonicContact NH1-OE1 3Å; R35-E149 PolarHBondContact NH1-OE1 3.17Å; R35-E149 IonicContact NH1-OE2 3.98Å; R35-E149 PolarHBondContact NH1-OE2 2.95Å; R35-E149 IonicContact NH2-OE2 3.4Å; Q83-E149 PolarHBondContact NE2-OE2 2.89Å; V87-E149 HydrophobicContact CG1-CG 4.09Å; V87-E149 HydrophobicContact CG2-CB 4.48Å; V87-E149 HydrophobicContact CG2-CG 3.64Å; R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 WeakPolarHBondContact O-CG 3.35Å; R145-E149 PolarHBondContact O-N 3.03Å; E149-M153 VanDerWaalsContact O-CB 3.26Å; E149-M153 WeakPolarHBondContact O-CB 3.4Å; E149-M153 PolarHBondContact O-N 3.32Å
150	G	96.6	Very high	94.1	Very high	23 Å²	23	54.7 Å²	54.7	24%	0.237	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-41.3	-179.9	0	0	0	0	0	112.7	L146 F148 M153 Y154	L146-G150 PolarHBondContact O-N 3.14Å; F148-G150 PolarHBondContact O-N 3.38Å; G150-M153 PolarHBondContact O-N 3.43Å; G150-Y154 VanDerWaalsContact O-CB 3.28Å; G150-Y154 WeakPolarHBondContact O-CB 3.45Å; G150-Y154 PolarHBondContact O-N 3.41Å
151	G	97.1	Very high	94.1	Very high	39 Å²	39	60.1 Å²	60.1	40%	0.402	30%	0.298	S	S	.	.	H	α-helix	trans	-65.9	-46.1	-179.3	0	0	0	0	0	113	I147 F148 Y154 A155	I147-G151 WeakPolarHBondContact O-CA 3.35Å; I147-G151 PolarHBondContact O-N 2.94Å; F148-G151 PolarHBondContact O-N 3.1Å; G151-Y154 PolarHBondContact O-N 3.12Å; G151-A155 WeakPolarHBondContact O-CB 3.22Å; G151-A155 PolarHBondContact O-N 2.98Å
152	F	96.8	Very high	94.2	Very high	37 Å²	37	60.3 Å²	60.3	16%	0.162	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-37.6	175.1	-84.1	-78.9	0	0	0	112.1	L82 Q83 F86 F148 A155 L156	L82-F152 HydrophobicContact CB-CE1 3.69Å; L82-F152 HydrophobicContact CB-CZ 3.82Å; Q83-F152 HydrophobicContact CB-CB 3.83Å; Q83-F152 HydrophobicContact CB-CD1 3.93Å; Q83-F152 HydrophobicContact CB-CD2 3.99Å; Q83-F152 HydrophobicContact CB-CG 3.65Å; Q83-F152 HydrophobicContact CG-CB 3.61Å; Q83-F152 HydrophobicContact CG-CD2 4.11Å; Q83-F152 HydrophobicContact CG-CG 3.88Å; F86-F152 HydrophobicContact CB-CE2 3.77Å; F86-F152 HydrophobicContact CB-CZ 4.49Å; F86-F152 AromaticContact CD2-CE2 3.8Å; F86-F152 HydrophobicContact CD2-CE2 3.8Å; F86-F152 AromaticContact CD2-CZ 3.68Å; F86-F152 HydrophobicContact CD2-CZ 3.68Å; F86-F152 HydrophobicContact CE2-CZ 4.25Å; F86-F152 AromaticContact CG-CE2 3.91Å; F86-F152 HydrophobicContact CG-CE2 3.91Å; F86-F152 HydrophobicContact CG-CZ 4.27Å; F148-F152 WeakPolarHBondContact O-CB 3.46Å; F148-F152 VanDerWaalsContact O-CD2 3.28Å; F148-F152 WeakPolarHBondContact O-CD2 3.24Å; F148-F152 PolarHBondContact O-N 3.31Å; F152-A155 PolarHBondContact O-N 3.23Å; F152-L156 WeakPolarHBondContact O-CB 3.17Å; F152-L156 PolarHBondContact O-N 3.43Å
153	M	95.2	Very high	94.2	Very high	38 Å²	38	63.7 Å²	63.7	19%	0.187	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-41.4	175.3	-172.6	164	71	0	0	111.8	E149 G150 L156 Y157 F163 V198 M205	E149-M153 VanDerWaalsContact O-CB 3.26Å; E149-M153 WeakPolarHBondContact O-CB 3.4Å; E149-M153 PolarHBondContact O-N 3.32Å; G150-M153 PolarHBondContact O-N 3.43Å; M153-L156 PolarHBondContact O-N 2.85Å; M153-Y157 PolarHBondContact O-N 3.3Å; M153-Y157 VanDerWaalsContact O-N 3.08Å; M153-F163 HydrophobicContact CG-CZ 4.5Å; M153-V198 HydrophobicContact SD-CG1 4.29Å; M153-M205 HydrophobicContact CE-CE 3.71Å; M153-M205 HydrophobicContact CE-SD 4.17Å
154	Y	95.7	Very high	94.2	Very high	156 Å²	156	65.6 Å²	65.6	61%	0.612	33%	0.327	S	S	*	.	H	α-helix	trans	-64.5	-45.8	174	178.1	-99.5	0	0	0	111.8	G150 G151 L156 Y157 F158	G150-Y154 VanDerWaalsContact O-CB 3.28Å; G150-Y154 WeakPolarHBondContact O-CB 3.45Å; G150-Y154 PolarHBondContact O-N 3.41Å; G151-Y154 PolarHBondContact O-N 3.12Å; Y154-L156 VanDerWaalsContact C-N 3.32Å; Y154-L156 PolarHBondContact O-N 3.29Å; Y154-Y157 PolarHBondContact O-N 2.94Å; Y154-F158 WeakPolarHBondContact O-CB 3.44Å; Y154-F158 PolarHBondContact O-N 3.43Å
155	A	95.1	Very high	94.1	Very high	34 Å²	34	61.8 Å²	61.8	28%	0.281	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-42.9	176.7	0	0	0	0	0	111.6	G151 F152 F158 V159	G151-A155 WeakPolarHBondContact O-CB 3.22Å; G151-A155 PolarHBondContact O-N 2.98Å; F152-A155 PolarHBondContact O-N 3.23Å; A155-F158 PolarHBondContact O-N 3.48Å; A155-V159 VanDerWaalsContact O-CB 3.27Å; A155-V159 WeakPolarHBondContact O-CB 3.48Å; A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 2.9Å
156	L	94.3	Very high	94	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-58.7	-49.6	175.4	-168.7	80.9	0	0	0	111.2	L79 F152 M153 Y154 F158 Y160 F163 T194 V198	L79-L156 HydrophobicContact CD1-CD1 4.36Å; F152-L156 WeakPolarHBondContact O-CB 3.17Å; F152-L156 PolarHBondContact O-N 3.43Å; M153-L156 PolarHBondContact O-N 2.85Å; Y154-L156 VanDerWaalsContact C-N 3.32Å; Y154-L156 PolarHBondContact O-N 3.29Å; L156-F158 PolarHBondContact O-N 3.47Å; L156-Y160 HydrophobicContact CD1-CD2 3.78Å; L156-Y160 HydrophobicContact CD1-CE2 3.64Å; L156-Y160 HydrophobicContact CG-CD2 4.17Å; L156-Y160 HydrophobicContact CG-CE2 4.49Å; L156-Y160 VanDerWaalsContact O-CD2 3.29Å; L156-Y160 WeakPolarHBondContact O-CD2 3.31Å; L156-Y160 PolarHBondContact O-N 3.43Å; L156-F163 HydrophobicContact CD2-CD1 4.27Å; L156-F163 HydrophobicContact CD2-CE1 4.31Å; L156-T194 HydrophobicContact CD2-CG2 4.23Å; L156-V198 HydrophobicContact CD2-CG2 3.78Å
157	Y	94.1	Very high	93.9	Very high	125 Å²	125	70.4 Å²	70.4	49%	0.49	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-43.8	-179.7	179.8	-98.4	0	0	0	112.3	M153 Y154 N161 G162 F163	M153-Y157 PolarHBondContact O-N 3.3Å; M153-Y157 VanDerWaalsContact O-N 3.08Å; Y154-Y157 PolarHBondContact O-N 2.94Å; Y157-N161 WeakPolarHBondContact O-CA 3.33Å; Y157-N161 PolarHBondContact O-N 3.05Å; Y157-G162 PolarHBondContact O-N 2.97Å; Y157-F163 HydrophobicContact CD2-CD2 4.1Å; Y157-F163 HydrophobicContact CD2-CE1 4.25Å; Y157-F163 AromaticContact CD2-CE2 3.65Å; Y157-F163 HydrophobicContact CD2-CE2 3.65Å; Y157-F163 AromaticContact CD2-CZ 3.75Å; Y157-F163 HydrophobicContact CD2-CZ 3.75Å; Y157-F163 HydrophobicContact CE2-CE2 4.24Å; Y157-F163 HydrophobicContact CG-CZ 4.29Å
158	F	94.2	Very high	93.8	Very high	136 Å²	136	69.5 Å²	69.5	60%	0.596	35%	0.345	S	S	*	.	H	α-helix	trans	-72.9	-44.8	-177.2	-175.7	-97.4	0	0	0	112.7	Y154 A155 L156	Y154-F158 WeakPolarHBondContact O-CB 3.44Å; Y154-F158 PolarHBondContact O-N 3.43Å; A155-F158 PolarHBondContact O-N 3.48Å; L156-F158 PolarHBondContact O-N 3.47Å
159	V	92.8	Very high	93.8	Very high	67 Å²	67	67.7 Å²	67.7	41%	0.406	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-38.7	-177	171.9	0	0	0	0	111.7	P73 A155	P73-V159 HydrophobicContact CG-CG1 4.34Å; A155-V159 VanDerWaalsContact O-CB 3.27Å; A155-V159 WeakPolarHBondContact O-CB 3.48Å; A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 2.9Å
160	Y	91.2	Very high	93.8	Very high	27 Å²	27	72.3 Å²	72.3	11%	0.106	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	12.6	-176.9	-56	-69.9	0	0	0	114.1	F72 V74 H76 L79 L156 G162	F72-Y160 HydrophobicContact CD1-CE1 4.2Å; V74-Y160 PolarHBondContact O-OH 2.59Å; H76-Y160 AromaticContact CD2-CD2 3.92Å; H76-Y160 AromaticContact CD2-CE2 3.83Å; H76-Y160 AromaticContact CE1-CD1 3.32Å; H76-Y160 WeakPolarHBondContact CE1-CD1 3.44Å; H76-Y160 AromaticContact CE1-CD2 3.7Å; H76-Y160 AromaticContact CE1-CE1 3.33Å; H76-Y160 WeakPolarHBondContact CE1-CE1 3.11Å; H76-Y160 AromaticContact CE1-CE2 3.71Å; H76-Y160 AromaticContact CE1-CG 3.49Å; H76-Y160 VanDerWaalsContact CE1-CG 3.49Å; H76-Y160 AromaticContact CE1-CZ 3.52Å; H76-Y160 AromaticContact CG-CE2 3.98Å; H76-Y160 AromaticContact CG-CZ 3.98Å; H76-Y160 PolarHBondContact N-OH 3.44Å; H76-Y160 AromaticContact ND1-CE1 3.66Å; H76-Y160 AromaticContact ND1-CE2 3.92Å; H76-Y160 AromaticContact ND1-CZ 3.53Å; H76-Y160 AromaticContact NE2-CD1 3.81Å; H76-Y160 AromaticContact NE2-CD2 3.4Å; H76-Y160 WeakPolarHBondContact NE2-CD2 3.15Å; H76-Y160 AromaticContact NE2-CE2 3.67Å; H76-Y160 AromaticContact NE2-CG 3.46Å; H76-Y160 AromaticContact NE2-CZ 3.97Å; L79-Y160 HydrophobicContact CD1-CE2 3.61Å; L79-Y160 WeakPolarHBondContact CD1-OH 3.39Å; L156-Y160 HydrophobicContact CD1-CD2 3.78Å; L156-Y160 HydrophobicContact CD1-CE2 3.64Å; L156-Y160 HydrophobicContact CG-CD2 4.17Å; L156-Y160 HydrophobicContact CG-CE2 4.49Å; L156-Y160 VanDerWaalsContact O-CD2 3.29Å; L156-Y160 WeakPolarHBondContact O-CD2 3.31Å; L156-Y160 PolarHBondContact O-N 3.43Å; Y160-G162 PolarHBondContact O-N 3.35Å
161	N	89.4	Confident	93.8	Very high	152 Å²	152	71.2 Å²	71.2	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.8	180	-67.7	-43.8	0	0	0	113.8	Y157	Y157-N161 WeakPolarHBondContact O-CA 3.33Å; Y157-N161 PolarHBondContact O-N 3.05Å
162	G	90.8	Very high	93.8	Very high	12 Å²	12	75.1 Å²	75.1	12%	0.124	36%	0.355	C	S	.	.	S	Bend	trans	133.3	-168.7	179.1	0	0	0	0	0	114.2	Y157 Y160	Y157-G162 PolarHBondContact O-N 2.97Å; Y160-G162 PolarHBondContact O-N 3.35Å
163	F	90.1	Very high	93.8	Very high	70 Å²	70	76.9 Å²	76.9	31%	0.307	36%	0.363	S	S	.	.	S	Bend	trans	-105	3.6	179.1	-59.4	-60.5	0	0	0	113.3	M153 L156 Y157 V198	M153-F163 HydrophobicContact CG-CZ 4.5Å; L156-F163 HydrophobicContact CD2-CD1 4.27Å; L156-F163 HydrophobicContact CD2-CE1 4.31Å; Y157-F163 HydrophobicContact CD2-CD2 4.1Å; Y157-F163 HydrophobicContact CD2-CE1 4.25Å; Y157-F163 AromaticContact CD2-CE2 3.65Å; Y157-F163 HydrophobicContact CD2-CE2 3.65Å; Y157-F163 AromaticContact CD2-CZ 3.75Å; Y157-F163 HydrophobicContact CD2-CZ 3.75Å; Y157-F163 HydrophobicContact CE2-CE2 4.24Å; Y157-F163 HydrophobicContact CG-CZ 4.29Å; F163-V198 HydrophobicContact CD1-CB 4.42Å; F163-V198 HydrophobicContact CD1-CG1 4.18Å; F163-V198 HydrophobicContact CD1-CG2 3.54Å; F163-V198 HydrophobicContact CE1-CB 4.43Å; F163-V198 HydrophobicContact CE1-CG1 3.88Å; F163-V198 HydrophobicContact CE1-CG2 3.64Å; F163-V198 HydrophobicContact CE2-CG1 4.43Å; F163-V198 HydrophobicContact CG-CG2 4.4Å; F163-V198 HydrophobicContact CZ-CG1 4.01Å
164	Q	92.5	Very high	93.8	Very high	151 Å²	151	85.5 Å²	85.5	71%	0.706	39%	0.394	S	S	*	.	S	Bend	trans	-113.1	128.2	-178.8	-67.2	-172.9	-38.7	0	0	109.9	P166 T191	Q164-P166 WeakPolarHBondContact O-CD 3.38Å; Q164-T191 HydrophobicContact CB-CG2 4.32Å; Q164-T191 HydrophobicContact CG-CG2 4.07Å
165	M	91.2	Very high	93.8	Very high	20 Å²	20	79.3 Å²	79.3	10%	0.099	37%	0.373	C	S	.	.			trans	-77.8	121.8	174.5	-166.7	87.3	66	0	0	109.2	F72 I184 P187 K190 T191	F72-M165 HydrophobicContact CE1-CE 4.39Å; F72-M165 HydrophobicContact CE1-SD 3.58Å; F72-M165 VanDerWaalsContact CE1-SD 3.58Å; F72-M165 HydrophobicContact CZ-SD 3.81Å; M165-I184 HydrophobicContact CG-CD1 4.37Å; M165-I184 HydrophobicContact CG-CG2 3.94Å; M165-I184 HydrophobicContact SD-CG2 4.2Å; M165-P187 HydrophobicContact CB-CB 4.23Å; M165-P187 HydrophobicContact CG-CB 4.04Å; M165-K190 HydrophobicContact CE-CB 3.44Å; M165-K190 VanDerWaalsContact CE-CB 3.44Å; M165-K190 HydrophobicContact CE-CD 3.43Å; M165-K190 VanDerWaalsContact CE-CD 3.43Å; M165-K190 HydrophobicContact CE-CG 4Å; M165-T191 WeakPolarHBondContact CB-OG1 3.27Å; M165-T191 PolarHBondContact N-OG1 3.24Å
166	P	93	Very high	93.9	Very high	63 Å²	63	78.5 Å²	78.5	41%	0.409	37%	0.365	S	S	.	.			trans	-66.8	152.9	172.7	28.9	-33.4	0	0	0	110.2	Q164 V169 I184	Q164-P166 WeakPolarHBondContact O-CD 3.38Å; P166-V169 HydrophobicContact CG-CG1 3.82Å; P166-I184 HydrophobicContact CG-CD1 4.02Å; P166-I184 VanDerWaalsContact O-CD1 3.24Å; P166-I184 WeakPolarHBondContact O-CD1 3.3Å
167	R	93.1	Very high	93.9	Very high	186 Å²	186	81.2 Å²	81.2	70%	0.702	38%	0.383	S	S	*	.	S	Bend	trans	-77.6	-28.6	174.8	-55.3	-171.8	-169.8	174.7	3.3	112.3	I184 P187	R167-I184 PolarHBondContact O-N 2.93Å; R167-P187 HydrophobicContact CB-CG 4.17Å; R167-P187 HydrophobicContact CG-CB 4.31Å; R167-P187 HydrophobicContact CG-CG 3.78Å
168	L	94.8	Very high	93.9	Very high	61 Å²	61	82.1 Å²	82.1	32%	0.319	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.1	-175.7	175.1	146.1	0	0	0	109.8	K170 D181 C182 F183	L168-K170 HydrophobicContact CD2-CD 3.83Å; L168-K170 HydrophobicContact CD2-CG 4.12Å; L168-D181 HydrophobicContact CD1-CB 3.93Å; L168-C182 CarbonylContact C-O 3.58Å; L168-C182 VanDerWaalsContact CA-O 3.31Å; L168-C182 WeakPolarHBondContact CA-O 3.46Å; L168-F183 HydrophobicContact CB-CD1 4.46Å; L168-F183 HydrophobicContact CD1-CD1 4.12Å; L168-F183 HydrophobicContact CD1-CE1 3.57Å; L168-F183 HydrophobicContact CD1-CZ 3.81Å
169	V	95.4	Very high	94	Very high	16 Å²	16	81.1 Å²	81.1	10%	0.097	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.5	172	-65.1	0	0	0	0	109.5	F54 F71 P166 C182 I184	F54-V169 HydrophobicContact CE2-CG2 4.22Å; F54-V169 HydrophobicContact CZ-CG2 4.27Å; F71-V169 HydrophobicContact CD1-CB 4.02Å; F71-V169 HydrophobicContact CD1-CG1 3.99Å; F71-V169 HydrophobicContact CD1-CG2 4.3Å; F71-V169 HydrophobicContact CD2-CB 4.09Å; F71-V169 HydrophobicContact CD2-CG2 3.58Å; F71-V169 HydrophobicContact CE1-CB 3.8Å; F71-V169 HydrophobicContact CE1-CG1 4.09Å; F71-V169 HydrophobicContact CE1-CG2 4.38Å; F71-V169 HydrophobicContact CE2-CB 3.89Å; F71-V169 HydrophobicContact CE2-CG2 3.69Å; F71-V169 HydrophobicContact CG-CB 4.18Å; F71-V169 HydrophobicContact CG-CG1 4.34Å; F71-V169 HydrophobicContact CG-CG2 3.93Å; F71-V169 HydrophobicContact CZ-CB 3.75Å; F71-V169 HydrophobicContact CZ-CG2 4.11Å; P166-V169 HydrophobicContact CG-CG1 3.82Å; V169-C182 HydrophobicContact CG2-CB 3.93Å; V169-C182 PolarHBondContact N-O 2.91Å; V169-C182 PolarHBondContact O-N 3.28Å; V169-I184 HydrophobicContact CG1-CD1 3.76Å
170	K	96.8	Very high	94.2	Very high	100 Å²	100	78.3 Å²	78.3	44%	0.435	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.6	-179.9	-61.3	-69.4	-166.7	174.1	0	108.8	F71 L168 K179 V180 D181	F71-K170 WeakPolarHBondContact CZ-O 3.21Å; L168-K170 HydrophobicContact CD2-CD 3.83Å; L168-K170 HydrophobicContact CD2-CG 4.12Å; K170-K179 HydrophobicContact CB-CD 4.07Å; K170-K179 HydrophobicContact CB-CG 4.03Å; K170-V180 WeakPolarHBondContact CA-O 3.45Å; K170-D181 WeakPolarHBondContact CD-OD1 3.36Å; K170-D181 VanDerWaalsContact CE-OD1 3.31Å; K170-D181 WeakPolarHBondContact CE-OD1 3.38Å; K170-D181 IonicContact NZ-OD1 2.67Å; K170-D181 PolarHBondContact NZ-OD1 3.49Å; K170-D181 IonicContact NZ-OD2 3.78Å; K170-D181 PolarHBondContact NZ-OD2 3.39Å
171	C	97.2	Very high	94.5	Very high	1 Å²	1	79 Å²	79	1%	0.007	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.2	-174.1	-172.7	0	0	0	0	112	C67 F71 K179 V180	C67-C171 WeakPolarHBondContact CA-SG 3.21Å; C67-C171 HydrophobicContact CB-CB 3.79Å; C67-C171 WeakPolarHBondContact CB-SG 3.47Å; C67-C171 WeakPolarHBondContact SG-CB 3.36Å; C67-C171 CovalentContact SG-SG 2.02Å; C67-C171 PolarHBondContact SG-SG 3.5Å; F71-C171 HydrophobicContact CE2-CB 3.86Å; C171-K179 WeakPolarHBondContact O-CA 3.24Å; C171-V180 HydrophobicContact CB-CG2 3.91Å; C171-V180 PolarHBondContact N-O 3.31Å; C171-V180 PolarHBondContact O-N 3.44Å
172	E	96.8	Very high	94.9	Very high	121 Å²	121	71.7 Å²	71.7	57%	0.565	34%	0.341	S	S	*	.			trans	-127.1	19.3	177.1	-66.9	177.4	165.1	0	0	112	K179	E172-K179 HydrophobicContact CG-CB 3.78Å; E172-K179 HydrophobicContact CG-CD 4.34Å; E172-K179 HydrophobicContact CG-CG 3.76Å; E172-K179 WeakPolarHBondContact OE1-CB 3.18Å; E172-K179 WeakPolarHBondContact OE1-CD 3.32Å; E172-K179 WeakPolarHBondContact OE1-CE 3.49Å; E172-K179 WeakPolarHBondContact OE1-CG 3.29Å; E172-K179 IonicContact OE1-NZ 3.02Å; E172-K179 PolarHBondContact OE1-NZ 3.47Å; E172-K179 IonicContact OE2-NZ 3.85Å
173	Q	97	Very high	95.1	Very high	74 Å²	74	75.7 Å²	75.7	35%	0.346	36%	0.355	S	S	.	.			trans	-78.3	141.7	-176.6	-64	-57.7	-28.9	0	0	112	V66 H70 C176	V66-Q173 HydrophobicContact CB-CB 4.44Å; V66-Q173 HydrophobicContact CG2-CB 4.07Å; H70-Q173 HydrophobicContact CB-CG 3.9Å; H70-Q173 PolarHBondContact CE1-NE2 3.36Å; H70-Q173 PolarHBondContact ND1-NE2 3.3Å; H70-Q173 PolarHBondContact NE2-NE2 3.01Å; Q173-C176 WeakPolarHBondContact O-CA 3.39Å; Q173-C176 WeakPolarHBondContact O-CB 3.22Å; Q173-C176 PolarHBondContact O-N 3.15Å; Q173-C176 PolarHBondContact O-SG 3.48Å
174	W	94.6	Very high	95.3	Very high	219 Å²	219	73 Å²	73	83%	0.83	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	133.7	173	-174.5	91.1	0	0	0	110.3	V66	V66-W174 WeakPolarHBondContact CG2-O 3.28Å
175	P	96.3	Very high	95.3	Very high	26 Å²	26	66.5 Å²	66.5	17%	0.169	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.8	22.6	16	38.2	-38.1	0	0	0	115.9	Q60	Q60-P175 VanDerWaalsContact CG-O 3.24Å; Q60-P175 WeakPolarHBondContact CG-O 3.38Å
176	C	96.4	Very high	95.4	Very high	16 Å²	16	70.7 Å²	70.7	11%	0.108	33%	0.33	C	S	.	.	S	Bend	trans	-65.9	139.8	-176.2	-57.6	0	0	0	0	113.4	C63 C67 Q173 N178 V180	C63-C176 WeakPolarHBondContact CA-SG 3.06Å; C63-C176 HydrophobicContact CB-CB 4.03Å; C63-C176 WeakPolarHBondContact CB-SG 3.17Å; C63-C176 WeakPolarHBondContact SG-CB 3.34Å; C63-C176 CovalentContact SG-SG 2.03Å; C63-C176 PolarHBondContact SG-SG 2.66Å; C67-C176 PolarHBondContact SG-SG 3.23Å; Q173-C176 WeakPolarHBondContact O-CA 3.39Å; Q173-C176 WeakPolarHBondContact O-CB 3.22Å; Q173-C176 PolarHBondContact O-N 3.15Å; Q173-C176 PolarHBondContact O-SG 3.48Å; C176-N178 PolarHBondContact O-N 3.2Å; C176-V180 HydrophobicContact CB-CG1 4.37Å; C176-V180 HydrophobicContact CB-CG2 4.2Å
177	P	93.6	Very high	95.5	Very high	62 Å²	62	68.5 Å²	68.5	40%	0.403	32%	0.316	S	S	.	.			trans	-76.9	110.5	174.1	30.7	-32.1	0	0	0	109.6	Q60 V180	Q60-P177 HydrophobicContact CB-CG 4.28Å; P177-V180 HydrophobicContact CG-CG1 4.3Å
178	N	94.2	Very high	95.5	Very high	145 Å²	145	64 Å²	64	78%	0.775	31%	0.309	S	S	*	.	S	Bend	trans	52.7	-144.4	-178.2	-53.7	-58.4	0	0	0	111.9	C176	C176-N178 PolarHBondContact O-N 3.2Å
179	K	96.6	Very high	95.5	Very high	114 Å²	114	64.2 Å²	64.2	50%	0.496	31%	0.308	S	S	.	.	S	Bend	trans	-89.7	117.6	177.7	-165.7	171.4	-135.7	129.7	0	110.4	K170 C171 E172	K170-K179 HydrophobicContact CB-CD 4.07Å; K170-K179 HydrophobicContact CB-CG 4.03Å; C171-K179 WeakPolarHBondContact O-CA 3.24Å; E172-K179 HydrophobicContact CG-CB 3.78Å; E172-K179 HydrophobicContact CG-CD 4.34Å; E172-K179 HydrophobicContact CG-CG 3.76Å; E172-K179 WeakPolarHBondContact OE1-CB 3.18Å; E172-K179 WeakPolarHBondContact OE1-CD 3.32Å; E172-K179 WeakPolarHBondContact OE1-CE 3.49Å; E172-K179 WeakPolarHBondContact OE1-CG 3.29Å; E172-K179 IonicContact OE1-NZ 3.02Å; E172-K179 PolarHBondContact OE1-NZ 3.47Å; E172-K179 IonicContact OE2-NZ 3.85Å
180	V	97.2	Very high	95.4	Very high	8 Å²	8	63.5 Å²	63.5	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	152.6	178.1	-58.1	0	0	0	0	111.7	T58 K170 C171 C176 P177	T58-V180 HydrophobicContact CG2-CG1 4.48Å; K170-V180 WeakPolarHBondContact CA-O 3.45Å; C171-V180 HydrophobicContact CB-CG2 3.91Å; C171-V180 PolarHBondContact N-O 3.31Å; C171-V180 PolarHBondContact O-N 3.44Å; C176-V180 HydrophobicContact CB-CG1 4.37Å; C176-V180 HydrophobicContact CB-CG2 4.2Å; P177-V180 HydrophobicContact CG-CG1 4.3Å
181	D	97.3	Very high	95.3	Very high	41 Å²	41	59.6 Å²	59.6	22%	0.219	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.8	179.1	-73.1	14.3	0	0	0	109.5	C56 N57 L168 K170 F183	C56-D181 CarbonylContact C-O 3.52Å; C56-D181 WeakPolarHBondContact CA-O 3.36Å; N57-D181 HydrophobicContact CB-CB 4.37Å; N57-D181 PolarHBondContact N-O 3.48Å; L168-D181 HydrophobicContact CD1-CB 3.93Å; K170-D181 WeakPolarHBondContact CD-OD1 3.36Å; K170-D181 VanDerWaalsContact CE-OD1 3.31Å; K170-D181 WeakPolarHBondContact CE-OD1 3.38Å; K170-D181 IonicContact NZ-OD1 2.67Å; K170-D181 PolarHBondContact NZ-OD1 3.49Å; K170-D181 IonicContact NZ-OD2 3.78Å; K170-D181 PolarHBondContact NZ-OD2 3.39Å; D181-F183 HydrophobicContact CB-CE2 4.47Å
182	C	97.1	Very high	95.2	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.4	175.1	-55.5	0	0	0	0	111.2	F54 T55 C56 L168 V169	F54-C182 HydrophobicContact CE1-CB 3.92Å; F54-C182 HydrophobicContact CE2-CB 3.89Å; F54-C182 HydrophobicContact CZ-CB 3.36Å; T55-C182 CarbonylContact O-C 3.44Å; T55-C182 WeakPolarHBondContact O-CA 3.29Å; C56-C182 HydrophobicContact CB-CB 4.09Å; C56-C182 WeakPolarHBondContact CB-SG 3.47Å; C56-C182 WeakPolarHBondContact SG-CB 3.2Å; C56-C182 CovalentContact SG-SG 2.05Å; C56-C182 PolarHBondContact SG-SG 3.02Å; L168-C182 CarbonylContact C-O 3.58Å; L168-C182 VanDerWaalsContact CA-O 3.31Å; L168-C182 WeakPolarHBondContact CA-O 3.46Å; V169-C182 HydrophobicContact CG2-CB 3.93Å; V169-C182 PolarHBondContact N-O 2.91Å; V169-C182 PolarHBondContact O-N 3.28Å
183	F	96.4	Very high	95.1	Very high	95 Å²	95	58.9 Å²	58.9	42%	0.417	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.5	-177.9	-58.2	-90.1	0	0	0	110	F54 T55 L168 D181	F54-F183 WeakPolarHBondContact CD2-O 3.38Å; T55-F183 PolarHBondContact N-O 3.39Å; T55-F183 VanDerWaalsContact N-O 3.17Å; T55-F183 PolarHBondContact O-N 3.02Å; L168-F183 HydrophobicContact CB-CD1 4.46Å; L168-F183 HydrophobicContact CD1-CD1 4.12Å; L168-F183 HydrophobicContact CD1-CE1 3.57Å; L168-F183 HydrophobicContact CD1-CZ 3.81Å; D181-F183 HydrophobicContact CB-CE2 4.47Å
184	I	94.3	Very high	94.9	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.067	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-91.3	135.7	-179.4	-64.5	160.1	0	0	0	108.9	F54 F72 M165 P166 R167 V169 P187	F54-I184 HydrophobicContact CD2-CG1 4.16Å; F54-I184 HydrophobicContact CE2-CG1 3.96Å; F72-I184 HydrophobicContact CE2-CD1 4.04Å; F72-I184 HydrophobicContact CE2-CG1 3.92Å; F72-I184 HydrophobicContact CZ-CD1 3.64Å; F72-I184 HydrophobicContact CZ-CG1 3.84Å; F72-I184 HydrophobicContact CZ-CG2 4.03Å; M165-I184 HydrophobicContact CG-CD1 4.37Å; M165-I184 HydrophobicContact CG-CG2 3.94Å; M165-I184 HydrophobicContact SD-CG2 4.2Å; P166-I184 HydrophobicContact CG-CD1 4.02Å; P166-I184 VanDerWaalsContact O-CD1 3.24Å; P166-I184 WeakPolarHBondContact O-CD1 3.3Å; R167-I184 PolarHBondContact O-N 2.93Å; V169-I184 HydrophobicContact CG1-CD1 3.76Å; I184-P187 WeakPolarHBondContact O-CD 3.39Å
185	S	92.7	Very high	94.9	Very high	15 Å²	15	49.2 Å²	49.2	11%	0.105	26%	0.256	C	S	.	.	S	Bend	trans	-69.8	136.9	175.2	-174.7	0	0	0	0	112	D53 K190	D53-S185 VanDerWaalsContact CB-CB 3.48Å; D53-S185 WeakPolarHBondContact CB-OG 3.26Å; S185-K190 WeakPolarHBondContact O-CD 3.49Å; S185-K190 VanDerWaalsContact O-CE 3.22Å; S185-K190 WeakPolarHBondContact O-CE 3.48Å; S185-K190 PolarHBondContact O-NZ 3.23Å
186	R	93.2	Very high	94.9	Very high	108 Å²	108	53.1 Å²	53.1	41%	0.408	27%	0.27	S	S	.	.	S	Bend	trans	45.9	51.2	174.4	-55.8	166.8	-165.4	-91.9	-1.2	114.5	D49 T188 E189 K190	D49-R186 IonicContact OD1-NE 2.85Å; D49-R186 IonicContact OD2-CZ 2.9Å; D49-R186 IonicContact OD2-NE 2.6Å; D49-R186 PolarHBondContact OD2-NE 3.47Å; D49-R186 IonicContact OD2-NH2 3.59Å; D49-R186 PolarHBondContact OD2-NH2 3.23Å; R186-T188 VanDerWaalsContact C-N 3.31Å; R186-T188 PolarHBondContact O-N 3.4Å; R186-E189 HydrophobicContact CB-CB 4.11Å; R186-E189 WeakPolarHBondContact CD-OE2 3.48Å; R186-E189 IonicContact NH1-OE2 3.97Å; R186-E189 PolarHBondContact O-N 3.03Å; R186-K190 WeakPolarHBondContact O-CG 3.47Å; R186-K190 PolarHBondContact O-N 3.43Å
187	P	93.9	Very high	94.7	Very high	18 Å²	18	52.4 Å²	52.4	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-34.3	-171.6	27.2	-34.1	0	0	0	112.6	M165 R167 I184 T191	M165-P187 HydrophobicContact CB-CB 4.23Å; M165-P187 HydrophobicContact CG-CB 4.04Å; R167-P187 HydrophobicContact CB-CG 4.17Å; R167-P187 HydrophobicContact CG-CB 4.31Å; R167-P187 HydrophobicContact CG-CG 3.78Å; I184-P187 WeakPolarHBondContact O-CD 3.39Å; P187-T191 VanDerWaalsContact O-CB 3.31Å; P187-T191 WeakPolarHBondContact O-CB 3.37Å; P187-T191 PolarHBondContact O-N 3.1Å; P187-T191 PolarHBondContact O-OG1 3.02Å
188	T	94.2	Very high	94.8	Very high	90 Å²	90	50.5 Å²	50.5	55%	0.552	25%	0.252	S	S	*	.	H	α-helix	trans	-67.7	-46.5	177.1	47	0	0	0	0	111.8	R186 T191 V192	R186-T188 VanDerWaalsContact C-N 3.31Å; R186-T188 PolarHBondContact O-N 3.4Å; T188-T191 WeakPolarHBondContact O-CB 2.78Å; T188-T191 PolarHBondContact O-N 3.32Å; T188-V192 WeakPolarHBondContact O-CG2 3.47Å; T188-V192 PolarHBondContact O-N 3.17Å
189	E	93.4	Very high	94.9	Very high	66 Å²	66	45.8 Å²	45.8	31%	0.308	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-48	177.8	-170.6	171.9	-169.6	0	0	111.1	V46 R186 T191 V192 F193	V46-E189 HydrophobicContact CG1-CB 4.29Å; V46-E189 HydrophobicContact CG1-CG 3.89Å; V46-E189 HydrophobicContact CG2-CG 3.79Å; V46-E189 VanDerWaalsContact CG2-OE1 3.24Å; V46-E189 WeakPolarHBondContact CG2-OE1 3.24Å; R186-E189 HydrophobicContact CB-CB 4.11Å; R186-E189 WeakPolarHBondContact CD-OE2 3.48Å; R186-E189 IonicContact NH1-OE2 3.97Å; R186-E189 PolarHBondContact O-N 3.03Å; E189-T191 VanDerWaalsContact C-N 3.26Å; E189-T191 PolarHBondContact O-N 3.42Å; E189-V192 PolarHBondContact O-N 3.33Å; E189-V192 VanDerWaalsContact O-N 3.1Å; E189-F193 HydrophobicContact CG-CD2 3.95Å; E189-F193 HydrophobicContact CG-CE2 3.81Å; E189-F193 VanDerWaalsContact O-CD2 3.31Å; E189-F193 WeakPolarHBondContact O-CD2 3.32Å; E189-F193 PolarHBondContact O-N 3.26Å
190	K	94.2	Very high	94.8	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-57.9	-39.2	174.9	-70.3	-178.6	-177.3	179.5	0	112.5	V46 W47 E50 M165 S185 R186 T194	V46-K190 HydrophobicContact CG1-CB 4.41Å; V46-K190 HydrophobicContact CG1-CG 3.46Å; V46-K190 VanDerWaalsContact CG1-CG 3.46Å; V46-K190 VanDerWaalsContact O-CE 3.28Å; V46-K190 WeakPolarHBondContact O-CE 3.38Å; W47-K190 HydrophobicContact CD2-CG 4.39Å; W47-K190 HydrophobicContact CH2-CB 3.88Å; W47-K190 HydrophobicContact CH2-CG 3.92Å; W47-K190 HydrophobicContact CZ2-CB 3.68Å; W47-K190 HydrophobicContact CZ2-CD 4.17Å; W47-K190 HydrophobicContact CZ2-CG 3.62Å; W47-K190 HydrophobicContact CZ3-CG 4.41Å; E50-K190 VanDerWaalsContact CG-NZ 3.31Å; E50-K190 IonicContact OE1-NZ 2.71Å; E50-K190 PolarHBondContact OE1-NZ 2.99Å; M165-K190 HydrophobicContact CE-CB 3.44Å; M165-K190 VanDerWaalsContact CE-CB 3.44Å; M165-K190 HydrophobicContact CE-CD 3.43Å; M165-K190 VanDerWaalsContact CE-CD 3.43Å; M165-K190 HydrophobicContact CE-CG 4Å; S185-K190 WeakPolarHBondContact O-CD 3.49Å; S185-K190 VanDerWaalsContact O-CE 3.22Å; S185-K190 WeakPolarHBondContact O-CE 3.48Å; S185-K190 PolarHBondContact O-NZ 3.23Å; R186-K190 WeakPolarHBondContact O-CG 3.47Å; R186-K190 PolarHBondContact O-N 3.43Å; K190-T194 VanDerWaalsContact O-CB 3.32Å; K190-T194 WeakPolarHBondContact O-CB 3.42Å; K190-T194 PolarHBondContact O-N 2.97Å; K190-T194 PolarHBondContact O-OG1 3.45Å
191	T	94.5	Very high	94.7	Very high	18 Å²	18	40.3 Å²	40.3	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-44	175.8	-61.5	0	0	0	0	111.6	Q164 M165 P187 T188 E189 F193 T194 I195	Q164-T191 HydrophobicContact CB-CG2 4.32Å; Q164-T191 HydrophobicContact CG-CG2 4.07Å; M165-T191 WeakPolarHBondContact CB-OG1 3.27Å; M165-T191 PolarHBondContact N-OG1 3.24Å; P187-T191 VanDerWaalsContact O-CB 3.31Å; P187-T191 WeakPolarHBondContact O-CB 3.37Å; P187-T191 PolarHBondContact O-N 3.1Å; P187-T191 PolarHBondContact O-OG1 3.02Å; T188-T191 WeakPolarHBondContact O-CB 2.78Å; T188-T191 PolarHBondContact O-N 3.32Å; E189-T191 VanDerWaalsContact C-N 3.26Å; E189-T191 PolarHBondContact O-N 3.42Å; T191-F193 PolarHBondContact O-N 3.05Å; T191-T194 WeakPolarHBondContact O-CB 3Å; T191-T194 PolarHBondContact O-N 2.7Å; T191-I195 HydrophobicContact CG2-CD1 3.88Å; T191-I195 HydrophobicContact CG2-CG1 4.42Å; T191-I195 VanDerWaalsContact O-CG1 3.31Å; T191-I195 WeakPolarHBondContact O-CG1 3.49Å; T191-I195 PolarHBondContact O-N 3.27Å
192	V	94.9	Very high	94.6	Very high	72 Å²	72	40 Å²	40	44%	0.436	21%	0.213	S	C	.	.	H	α-helix	trans	-59.5	-48.8	177.6	168.1	0	0	0	0	111.1	T188 E189 T194 I195 F196	T188-V192 WeakPolarHBondContact O-CG2 3.47Å; T188-V192 PolarHBondContact O-N 3.17Å; E189-V192 PolarHBondContact O-N 3.33Å; E189-V192 VanDerWaalsContact O-N 3.1Å; V192-T194 VanDerWaalsContact C-N 3.32Å; V192-T194 PolarHBondContact O-N 3.44Å; V192-I195 PolarHBondContact O-N 3.02Å; V192-F196 HydrophobicContact CG1-CD2 3.85Å; V192-F196 HydrophobicContact CG1-CE2 3.41Å; V192-F196 VanDerWaalsContact CG1-CE2 3.41Å; V192-F196 HydrophobicContact CG1-CZ 4.37Å; V192-F196 VanDerWaalsContact O-CD2 3.26Å; V192-F196 WeakPolarHBondContact O-CD2 3.13Å; V192-F196 PolarHBondContact O-N 3.01Å
193	F	94.1	Very high	94.4	Very high	36 Å²	36	44.2 Å²	44.2	16%	0.158	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-39.6	175.9	-81.4	-71.9	0	0	0	112.4	I38 A42 V46 W47 E189 T191 I195 F196 M197	I38-F193 HydrophobicContact CG2-CD1 3.73Å; I38-F193 HydrophobicContact CG2-CE1 4.23Å; A42-F193 HydrophobicContact CB-CD1 4.02Å; A42-F193 HydrophobicContact CB-CE1 4.23Å; A42-F193 HydrophobicContact CB-CG 4.28Å; V46-F193 HydrophobicContact CG1-CD2 4.4Å; V46-F193 HydrophobicContact CG2-CD2 3.83Å; V46-F193 HydrophobicContact CG2-CE2 3.49Å; V46-F193 VanDerWaalsContact CG2-CE2 3.49Å; V46-F193 HydrophobicContact CG2-CZ 4.28Å; W47-F193 HydrophobicContact CH2-CB 3.72Å; W47-F193 HydrophobicContact CZ3-CB 3.78Å; W47-F193 HydrophobicContact CZ3-CD2 4.27Å; W47-F193 HydrophobicContact CZ3-CG 4.14Å; E189-F193 HydrophobicContact CG-CD2 3.95Å; E189-F193 HydrophobicContact CG-CE2 3.81Å; E189-F193 VanDerWaalsContact O-CD2 3.31Å; E189-F193 WeakPolarHBondContact O-CD2 3.32Å; E189-F193 PolarHBondContact O-N 3.26Å; T191-F193 PolarHBondContact O-N 3.05Å; F193-I195 PolarHBondContact O-N 3.2Å; F193-F196 PolarHBondContact O-N 2.94Å; F193-M197 WeakPolarHBondContact O-CG 3.49Å; F193-M197 PolarHBondContact O-N 3.25Å
194	T	94.2	Very high	94.2	Very high	4 Å²	4	40 Å²	40	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-44	175	-60.1	0	0	0	0	111.6	W80 L156 K190 T191 V192 M197 V198	W80-T194 WeakPolarHBondContact CH2-OG1 3.32Å; W80-T194 HydrophobicContact CZ2-CG2 4.07Å; W80-T194 WeakPolarHBondContact CZ2-OG1 3.33Å; L156-T194 HydrophobicContact CD2-CG2 4.23Å; K190-T194 VanDerWaalsContact O-CB 3.32Å; K190-T194 WeakPolarHBondContact O-CB 3.42Å; K190-T194 PolarHBondContact O-N 2.97Å; K190-T194 PolarHBondContact O-OG1 3.45Å; T191-T194 WeakPolarHBondContact O-CB 3Å; T191-T194 PolarHBondContact O-N 2.7Å; V192-T194 VanDerWaalsContact C-N 3.32Å; V192-T194 PolarHBondContact O-N 3.44Å; T194-M197 PolarHBondContact O-N 3.11Å; T194-V198 HydrophobicContact CG2-CG2 4.28Å; T194-V198 WeakPolarHBondContact O-CB 3.46Å; T194-V198 VanDerWaalsContact O-CG2 3.26Å; T194-V198 WeakPolarHBondContact O-CG2 3.45Å; T194-V198 PolarHBondContact O-N 3.37Å
195	I	94.8	Very high	94.2	Very high	86 Å²	86	42.1 Å²	42.1	44%	0.441	23%	0.227	S	C	.	.	H	α-helix	trans	-62.5	-44.5	177.2	-68.9	166.1	0	0	0	111	T191 V192 F193 M197 V198 A199	T191-I195 HydrophobicContact CG2-CD1 3.88Å; T191-I195 HydrophobicContact CG2-CG1 4.42Å; T191-I195 VanDerWaalsContact O-CG1 3.31Å; T191-I195 WeakPolarHBondContact O-CG1 3.49Å; T191-I195 PolarHBondContact O-N 3.27Å; V192-I195 PolarHBondContact O-N 3.02Å; F193-I195 PolarHBondContact O-N 3.2Å; I195-M197 VanDerWaalsContact C-N 3.33Å; I195-M197 PolarHBondContact O-N 3.24Å; I195-V198 PolarHBondContact O-N 3.34Å; I195-A199 WeakPolarHBondContact O-CB 3.42Å; I195-A199 PolarHBondContact O-N 3.25Å
196	F	94.8	Very high	94.3	Very high	107 Å²	107	46 Å²	46	47%	0.469	25%	0.25	S	C	.	.	H	α-helix	trans	-61.8	-40.6	176.7	-73.4	-55.3	0	0	0	112.6	I38 V192 F193 S200	I38-F196 HydrophobicContact CD1-CB 3.9Å; V192-F196 HydrophobicContact CG1-CD2 3.85Å; V192-F196 HydrophobicContact CG1-CE2 3.41Å; V192-F196 VanDerWaalsContact CG1-CE2 3.41Å; V192-F196 HydrophobicContact CG1-CZ 4.37Å; V192-F196 VanDerWaalsContact O-CD2 3.26Å; V192-F196 WeakPolarHBondContact O-CD2 3.13Å; V192-F196 PolarHBondContact O-N 3.01Å; F193-F196 PolarHBondContact O-N 2.94Å; F196-S200 WeakPolarHBondContact O-CB 3.45Å; F196-S200 PolarHBondContact O-N 3.09Å; F196-S200 PolarHBondContact O-OG 3.25Å
197	M	93.6	Very high	94.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-42	177.2	-70.8	-60.6	-75.6	0	0	112.2	R35 I38 L39 W80 F193 T194 I195 S200 S201	R35-M197 HydrophobicContact CB-CE 4.4Å; R35-M197 HydrophobicContact CB-SD 4.44Å; R35-M197 HydrophobicContact CG-SD 4.33Å; I38-M197 HydrophobicContact CB-SD 4.05Å; I38-M197 HydrophobicContact CD1-SD 4.48Å; I38-M197 HydrophobicContact CG2-CG 3.98Å; I38-M197 HydrophobicContact CG2-SD 3.64Å; L39-M197 HydrophobicContact CD1-CE 4.2Å; L39-M197 HydrophobicContact CD2-CE 3.92Å; L39-M197 HydrophobicContact CG-CE 3.81Å; W80-M197 HydrophobicContact CB-CE 3.87Å; W80-M197 HydrophobicContact CD2-CB 4.31Å; W80-M197 HydrophobicContact CD2-CE 4.16Å; W80-M197 HydrophobicContact CD2-CG 4.04Å; W80-M197 HydrophobicContact CE3-CE 4.49Å; W80-M197 HydrophobicContact CE3-CG 4.13Å; W80-M197 HydrophobicContact CG-CE 3.88Å; W80-M197 HydrophobicContact CH2-CG 4.39Å; W80-M197 HydrophobicContact CZ2-CB 4.19Å; W80-M197 HydrophobicContact CZ2-CG 4.31Å; W80-M197 HydrophobicContact CZ3-CG 4.31Å; F193-M197 WeakPolarHBondContact O-CG 3.49Å; F193-M197 PolarHBondContact O-N 3.25Å; T194-M197 PolarHBondContact O-N 3.11Å; I195-M197 VanDerWaalsContact C-N 3.33Å; I195-M197 PolarHBondContact O-N 3.24Å; M197-S200 PolarHBondContact O-OG 2.9Å; M197-S200 VanDerWaalsContact O-OG 3.05Å; M197-S201 WeakPolarHBondContact O-CB 3.22Å; M197-S201 PolarHBondContact O-N 3.27Å; M197-S201 PolarHBondContact O-OG 3.12Å
198	V	94.9	Very high	94	Very high	22 Å²	22	41.9 Å²	41.9	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-45.3	177.3	171.7	0	0	0	0	111.1	M153 L156 F163 T194 I195 S200 S201 A202	M153-V198 HydrophobicContact SD-CG1 4.29Å; L156-V198 HydrophobicContact CD2-CG2 3.78Å; F163-V198 HydrophobicContact CD1-CB 4.42Å; F163-V198 HydrophobicContact CD1-CG1 4.18Å; F163-V198 HydrophobicContact CD1-CG2 3.54Å; F163-V198 HydrophobicContact CE1-CB 4.43Å; F163-V198 HydrophobicContact CE1-CG1 3.88Å; F163-V198 HydrophobicContact CE1-CG2 3.64Å; F163-V198 HydrophobicContact CE2-CG1 4.43Å; F163-V198 HydrophobicContact CG-CG2 4.4Å; F163-V198 HydrophobicContact CZ-CG1 4.01Å; T194-V198 HydrophobicContact CG2-CG2 4.28Å; T194-V198 WeakPolarHBondContact O-CB 3.46Å; T194-V198 VanDerWaalsContact O-CG2 3.26Å; T194-V198 WeakPolarHBondContact O-CG2 3.45Å; T194-V198 PolarHBondContact O-N 3.37Å; I195-V198 PolarHBondContact O-N 3.34Å; V198-S200 PolarHBondContact O-N 3.08Å; V198-S201 WeakPolarHBondContact O-CB 3.48Å; V198-S201 PolarHBondContact O-N 2.98Å; V198-A202 WeakPolarHBondContact O-CB 3.07Å; V198-A202 PolarHBondContact O-N 3.48Å
199	A	95.8	Very high	93.9	Very high	46 Å²	46	40.4 Å²	40.4	38%	0.38	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-46.6	178.7	0	0	0	0	0	111.7	I195 S201 A202 I203	I195-A199 WeakPolarHBondContact O-CB 3.42Å; I195-A199 PolarHBondContact O-N 3.25Å; A199-S201 VanDerWaalsContact C-N 3.33Å; A199-S201 PolarHBondContact O-N 3.23Å; A199-A202 PolarHBondContact O-N 2.8Å; A199-I203 VanDerWaalsContact O-CG1 3.3Å; A199-I203 WeakPolarHBondContact O-CG1 3.43Å; A199-I203 PolarHBondContact O-N 2.66Å
200	S	94.9	Very high	93.7	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-36.7	175.7	59.2	0	0	0	0	112.5	F196 M197 V198 I203 C204	F196-S200 WeakPolarHBondContact O-CB 3.45Å; F196-S200 PolarHBondContact O-N 3.09Å; F196-S200 PolarHBondContact O-OG 3.25Å; M197-S200 PolarHBondContact O-OG 2.9Å; M197-S200 VanDerWaalsContact O-OG 3.05Å; V198-S200 PolarHBondContact O-N 3.08Å; S200-I203 PolarHBondContact O-N 3.31Å; S200-C204 WeakPolarHBondContact O-CB 3.33Å; S200-C204 PolarHBondContact O-N 3.07Å; S200-C204 PolarHBondContact O-SG 3.11Å
201	S	94.8	Very high	93.4	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.028	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-42.5	173.3	-56.9	0	0	0	0	112	R35 Q83 M197 V198 A199 C204 M205	R35-S201 PolarHBondContact NH1-OG 3.3Å; R35-S201 PolarHBondContact NH2-OG 3.04Å; Q83-S201 PolarHBondContact NE2-OG 3.48Å; M197-S201 WeakPolarHBondContact O-CB 3.22Å; M197-S201 PolarHBondContact O-N 3.27Å; M197-S201 PolarHBondContact O-OG 3.12Å; V198-S201 WeakPolarHBondContact O-CB 3.48Å; V198-S201 PolarHBondContact O-N 2.98Å; A199-S201 VanDerWaalsContact C-N 3.33Å; A199-S201 PolarHBondContact O-N 3.23Å; S201-C204 WeakPolarHBondContact O-CB 3.36Å; S201-C204 PolarHBondContact O-N 2.9Å; S201-M205 WeakPolarHBondContact O-CB 3.34Å; S201-M205 PolarHBondContact O-N 3.03Å
202	A	95.1	Very high	93	Very high	35 Å²	35	41.8 Å²	41.8	29%	0.289	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-44.2	177	0	0	0	0	0	111.7	V198 A199 M205 V206	V198-A202 WeakPolarHBondContact O-CB 3.07Å; V198-A202 PolarHBondContact O-N 3.48Å; A199-A202 PolarHBondContact O-N 2.8Å; A202-M205 WeakPolarHBondContact O-CB 2.98Å; A202-M205 PolarHBondContact O-N 3.35Å; A202-V206 WeakPolarHBondContact O-CG2 3.03Å; A202-V206 PolarHBondContact O-N 2.8Å
203	I	94.6	Very high	92.6	Very high	89 Å²	89	43.1 Å²	43.1	46%	0.456	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-45.3	174.8	-62.9	164.6	0	0	0	110.3	L31 A199 S200 M205 V206 L207	L31-I203 HydrophobicContact CD1-CB 4.21Å; L31-I203 HydrophobicContact CD1-CG2 3.57Å; A199-I203 VanDerWaalsContact O-CG1 3.3Å; A199-I203 WeakPolarHBondContact O-CG1 3.43Å; A199-I203 PolarHBondContact O-N 2.66Å; S200-I203 PolarHBondContact O-N 3.31Å; I203-M205 VanDerWaalsContact C-N 3.31Å; I203-M205 PolarHBondContact O-N 2.94Å; I203-V206 PolarHBondContact O-N 3.31Å; I203-L207 HydrophobicContact CG2-CD1 4.15Å; I203-L207 HydrophobicContact CG2-CG 4.45Å; I203-L207 WeakPolarHBondContact O-CG 3.31Å; I203-L207 PolarHBondContact O-N 2.94Å
204	C	92.3	Very high	92.2	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-42.9	174.7	-78.5	0	0	0	0	112.1	L28 L31 S200 S201 L207 N208	L28-C204 HydrophobicContact CD2-CB 4.24Å; L31-C204 VanDerWaalsContact CB-SG 3.6Å; S200-C204 WeakPolarHBondContact O-CB 3.33Å; S200-C204 PolarHBondContact O-N 3.07Å; S200-C204 PolarHBondContact O-SG 3.11Å; S201-C204 WeakPolarHBondContact O-CB 3.36Å; S201-C204 PolarHBondContact O-N 2.9Å; C204-L207 PolarHBondContact O-N 3.07Å; C204-N208 PolarHBondContact O-N 2.62Å; C204-N208 PolarHBondContact O-ND2 3.48Å
205	M	93.8	Very high	91.7	Very high	57 Å²	57	48.5 Å²	48.5	28%	0.281	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-47.8	177.5	-172.2	172	65.4	0	0	111	L146 M153 S201 A202 I203 L207 N208 V209	L146-M205 HydrophobicContact CD2-CG 3.88Å; M153-M205 HydrophobicContact CE-CE 3.71Å; M153-M205 HydrophobicContact CE-SD 4.17Å; S201-M205 WeakPolarHBondContact O-CB 3.34Å; S201-M205 PolarHBondContact O-N 3.03Å; A202-M205 WeakPolarHBondContact O-CB 2.98Å; A202-M205 PolarHBondContact O-N 3.35Å; I203-M205 VanDerWaalsContact C-N 3.31Å; I203-M205 PolarHBondContact O-N 2.94Å; M205-L207 VanDerWaalsContact C-N 3.34Å; M205-L207 PolarHBondContact O-N 3.5Å; M205-N208 PolarHBondContact O-N 2.51Å; M205-V209 WeakPolarHBondContact O-CG2 3.34Å; M205-V209 PolarHBondContact O-N 3.16Å
206	V	93.7	Very high	91.2	Very high	96 Å²	96	47.9 Å²	47.9	58%	0.582	26%	0.262	S	S	*	.	H	α-helix	trans	-58.5	-44.4	176.5	171.8	0	0	0	0	111.5	A202 I203 N208 V209 A210	A202-V206 WeakPolarHBondContact O-CG2 3.03Å; A202-V206 PolarHBondContact O-N 2.8Å; I203-V206 PolarHBondContact O-N 3.31Å; V206-N208 PolarHBondContact O-N 2.82Å; V206-V209 PolarHBondContact O-N 3.04Å; V206-A210 WeakPolarHBondContact O-CB 3.4Å; V206-A210 PolarHBondContact O-N 3.17Å
207	L	91	Very high	90.8	Very high	40 Å²	40	46.6 Å²	46.6	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-41.9	177.4	-69.6	174.1	0	0	0	112.3	W27 L28 L31 I203 C204 M205 A210 E211	W27-L207 HydrophobicContact CB-CD1 3.77Å; L28-L207 HydrophobicContact CD2-CB 4.02Å; L28-L207 HydrophobicContact CD2-CD1 4.29Å; L28-L207 HydrophobicContact CG-CB 4.21Å; L28-L207 HydrophobicContact CG-CD1 4.31Å; L31-L207 HydrophobicContact CD1-CD1 3.71Å; I203-L207 HydrophobicContact CG2-CD1 4.15Å; I203-L207 HydrophobicContact CG2-CG 4.45Å; I203-L207 WeakPolarHBondContact O-CG 3.31Å; I203-L207 PolarHBondContact O-N 2.94Å; C204-L207 PolarHBondContact O-N 3.07Å; M205-L207 VanDerWaalsContact C-N 3.34Å; M205-L207 PolarHBondContact O-N 3.5Å; L207-A210 PolarHBondContact O-N 2.92Å; L207-E211 WeakPolarHBondContact O-CB 3.45Å; L207-E211 PolarHBondContact O-N 3.22Å
208	N	90.1	Very high	90.3	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-39.1	176.3	-76.9	-68.6	0	0	0	112	R145 L146 C204 M205 V206 E211 L212	R145-N208 PolarHBondContact NH1-OD1 3.02Å; L146-N208 HydrophobicContact CD2-CB 3.69Å; L146-N208 HydrophobicContact CG-CB 4.2Å; C204-N208 PolarHBondContact O-N 2.62Å; C204-N208 PolarHBondContact O-ND2 3.48Å; M205-N208 PolarHBondContact O-N 2.51Å; V206-N208 PolarHBondContact O-N 2.82Å; N208-E211 PolarHBondContact O-N 2.89Å; N208-L212 WeakPolarHBondContact O-CB 3.48Å; N208-L212 PolarHBondContact O-N 3.29Å
209	V	91.9	Very high	89.6	Confident	59 Å²	59	51 Å²	51	36%	0.358	29%	0.285	S	S	.	.	H	α-helix	trans	-63.9	-47.6	174.2	171.8	0	0	0	0	110.5	L146 M205 V206 E211 L212 L213	L146-V209 HydrophobicContact CD1-CG2 4.06Å; L146-V209 HydrophobicContact CD2-CG2 3.57Å; L146-V209 HydrophobicContact CG-CG2 4.49Å; M205-V209 WeakPolarHBondContact O-CG2 3.34Å; M205-V209 PolarHBondContact O-N 3.16Å; V206-V209 PolarHBondContact O-N 3.04Å; V209-E211 VanDerWaalsContact C-N 3.28Å; V209-E211 PolarHBondContact O-N 3.39Å; V209-L212 PolarHBondContact O-N 3.3Å; V209-L212 VanDerWaalsContact O-N 3.16Å; V209-L213 HydrophobicContact CG1-CD1 3.81Å; V209-L213 HydrophobicContact CG1-CG 4.15Å; V209-L213 WeakPolarHBondContact O-CB 3.28Å; V209-L213 VanDerWaalsContact O-CG 3.3Å; V209-L213 WeakPolarHBondContact O-CG 3.4Å; V209-L213 PolarHBondContact O-N 3.43Å
210	A	90.1	Very high	89.1	Confident	55 Å²	55	53.7 Å²	53.7	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-59.1	-40.6	178.3	0	0	0	0	0	111.7	V206 L207 Y214	V206-A210 WeakPolarHBondContact O-CB 3.4Å; V206-A210 PolarHBondContact O-N 3.17Å; L207-A210 PolarHBondContact O-N 2.92Å; A210-Y214 WeakPolarHBondContact O-CB 3.35Å; A210-Y214 PolarHBondContact O-N 2.84Å
211	E	87.2	Confident	88.6	Confident	30 Å²	30	58.6 Å²	58.6	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-41.8	175.5	-173.6	163.2	-160.1	0	0	112.5	K25 Y138 L142 L207 N208 V209 Y214 L215	K25-E211 WeakPolarHBondContact CE-OE1 3.29Å; Y138-E211 HydrophobicContact CE1-CG 4.42Å; Y138-E211 PolarHBondContact OH-OE1 3.21Å; Y138-E211 PolarHBondContact OH-OE2 3.06Å; L142-E211 HydrophobicContact CD1-CG 4.08Å; L207-E211 WeakPolarHBondContact O-CB 3.45Å; L207-E211 PolarHBondContact O-N 3.22Å; N208-E211 PolarHBondContact O-N 2.89Å; V209-E211 VanDerWaalsContact C-N 3.28Å; V209-E211 PolarHBondContact O-N 3.39Å; E211-Y214 PolarHBondContact O-N 2.7Å; E211-L215 WeakPolarHBondContact O-CG 3.3Å; E211-L215 PolarHBondContact O-N 2.92Å; E211-L215 VanDerWaalsContact O-N 3.08Å
212	L	86.9	Confident	87.8	Confident	29 Å²	29	62.7 Å²	62.7	15%	0.152	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-46.5	175.2	-178.5	61	0	0	0	111.4	T139 L142 L146 N208 V209 Y214 L215 I216	T139-L212 HydrophobicContact CG2-CD1 3.96Å; L142-L212 HydrophobicContact CD1-CB 4.37Å; L142-L212 HydrophobicContact CD1-CD1 4.47Å; L146-L212 HydrophobicContact CD1-CD2 3.76Å; N208-L212 WeakPolarHBondContact O-CB 3.48Å; N208-L212 PolarHBondContact O-N 3.29Å; V209-L212 PolarHBondContact O-N 3.3Å; V209-L212 VanDerWaalsContact O-N 3.16Å; L212-Y214 PolarHBondContact O-N 3.15Å; L212-L215 PolarHBondContact O-N 3.44Å; L212-I216 HydrophobicContact CD1-CD1 4.18Å; L212-I216 HydrophobicContact CD1-CG1 4.49Å; L212-I216 HydrophobicContact CG-CD1 3.93Å; L212-I216 VanDerWaalsContact O-CG1 3.3Å; L212-I216 WeakPolarHBondContact O-CG1 3.41Å; L212-I216 PolarHBondContact O-N 2.96Å
213	L	87.2	Confident	87	Confident	100 Å²	100	65 Å²	65	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-44.8	177.1	-70.3	175	0	0	0	111.6	V209 L215 I216 V217	V209-L213 HydrophobicContact CG1-CD1 3.81Å; V209-L213 HydrophobicContact CG1-CG 4.15Å; V209-L213 WeakPolarHBondContact O-CB 3.28Å; V209-L213 VanDerWaalsContact O-CG 3.3Å; V209-L213 WeakPolarHBondContact O-CG 3.4Å; V209-L213 PolarHBondContact O-N 3.43Å; L213-L215 VanDerWaalsContact C-N 3.28Å; L213-L215 PolarHBondContact O-N 3.42Å; L213-I216 PolarHBondContact O-N 3.27Å; L213-V217 WeakPolarHBondContact O-CG2 3.43Å; L213-V217 PolarHBondContact O-N 3.49Å
214	Y	85.6	Confident	86.3	Confident	144 Å²	144	66.9 Å²	66.9	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-56.6	-43	175.6	173.2	-98	0	0	0	112	A210 E211 L212 K218	A210-Y214 WeakPolarHBondContact O-CB 3.35Å; A210-Y214 PolarHBondContact O-N 2.84Å; E211-Y214 PolarHBondContact O-N 2.7Å; L212-Y214 PolarHBondContact O-N 3.15Å; Y214-K218 HydrophobicContact CE1-CD 4.17Å; Y214-K218 VanDerWaalsContact O-CB 3.28Å; Y214-K218 WeakPolarHBondContact O-CB 3.5Å; Y214-K218 PolarHBondContact O-N 3.42Å
215	L	83.1	Confident	85.5	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.047	37%	0.373	C	S	.	.	H	α-helix	trans	-68.6	-38.9	178.4	-71.2	175	0	0	0	113.2	Y138 L142 E211 L212 L213 A219	Y138-L215 HydrophobicContact CD1-CD1 3.45Å; Y138-L215 VanDerWaalsContact CD1-CD1 3.45Å; Y138-L215 HydrophobicContact CE1-CD1 3.57Å; L142-L215 HydrophobicContact CD1-CD1 3.78Å; E211-L215 WeakPolarHBondContact O-CG 3.3Å; E211-L215 PolarHBondContact O-N 2.92Å; E211-L215 VanDerWaalsContact O-N 3.08Å; L212-L215 PolarHBondContact O-N 3.44Å; L213-L215 VanDerWaalsContact C-N 3.28Å; L213-L215 PolarHBondContact O-N 3.42Å; L215-A219 WeakPolarHBondContact O-CB 3.39Å; L215-A219 PolarHBondContact O-N 2.8Å
216	I	84.4	Confident	84.2	Confident	73 Å²	73	76.3 Å²	76.3	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-63.7	-50.7	176.4	-68.7	166.3	0	0	0	109.6	L212 L213 K218 A219 L220	L212-I216 HydrophobicContact CD1-CD1 4.18Å; L212-I216 HydrophobicContact CD1-CG1 4.49Å; L212-I216 HydrophobicContact CG-CD1 3.93Å; L212-I216 VanDerWaalsContact O-CG1 3.3Å; L212-I216 WeakPolarHBondContact O-CG1 3.41Å; L212-I216 PolarHBondContact O-N 2.96Å; L213-I216 PolarHBondContact O-N 3.27Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 3.43Å; I216-A219 WeakPolarHBondContact O-CA 3.23Å; I216-A219 WeakPolarHBondContact O-CB 3.44Å; I216-A219 PolarHBondContact O-N 3.27Å; I216-L220 HydrophobicContact CG2-CD1 4.02Å; I216-L220 HydrophobicContact CG2-CG 4.36Å; I216-L220 WeakPolarHBondContact O-CG 3.36Å; I216-L220 PolarHBondContact O-N 2.98Å
217	V	85.4	Confident	83	Confident	81 Å²	81	74.8 Å²	74.8	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-57.5	-46	177.6	172.4	0	0	0	0	110.8	L213 A219 L220 L221	L213-V217 WeakPolarHBondContact O-CG2 3.43Å; L213-V217 PolarHBondContact O-N 3.49Å; V217-A219 VanDerWaalsContact C-N 3.27Å; V217-A219 PolarHBondContact O-N 3.27Å; V217-L220 PolarHBondContact O-N 3.25Å; V217-L221 HydrophobicContact CG1-CD1 3.96Å; V217-L221 HydrophobicContact CG1-CG 4.32Å; V217-L221 WeakPolarHBondContact O-CG 3.27Å; V217-L221 PolarHBondContact O-N 2.77Å
218	K	82.8	Confident	81.6	Confident	92 Å²	92	78.1 Å²	78.1	40%	0.4	40%	0.404	S	S	.	.	H	α-helix	trans	-63.8	-30.4	176.6	-173	173.7	-175.2	170	0	113.3	Y214 I216 R222	Y214-K218 HydrophobicContact CE1-CD 4.17Å; Y214-K218 VanDerWaalsContact O-CB 3.28Å; Y214-K218 WeakPolarHBondContact O-CB 3.5Å; Y214-K218 PolarHBondContact O-N 3.42Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 3.43Å; K218-R222 WeakPolarHBondContact O-CG 3.3Å; K218-R222 PolarHBondContact O-N 3.29Å; K218-R222 PolarHBondContact O-NE 2.92Å
219	A	81.6	Confident	80.1	Confident	23 Å²	23	84.9 Å²	84.9	19%	0.19	43%	0.433	C	S	.	.	H	α-helix	trans	-72	-46.2	173.8	0	0	0	0	0	111.1	W135 L215 I216 V217 R222 C223	W135-A219 HydrophobicContact CZ2-CB 3.92Å; L215-A219 WeakPolarHBondContact O-CB 3.39Å; L215-A219 PolarHBondContact O-N 2.8Å; I216-A219 WeakPolarHBondContact O-CA 3.23Å; I216-A219 WeakPolarHBondContact O-CB 3.44Å; I216-A219 PolarHBondContact O-N 3.27Å; V217-A219 VanDerWaalsContact C-N 3.27Å; V217-A219 PolarHBondContact O-N 3.27Å; A219-R222 PolarHBondContact O-N 2.83Å; A219-C223 PolarHBondContact O-N 2.75Å; A219-C223 PolarHBondContact O-SG 3.45Å; A219-C223 VanDerWaalsContact O-SG 3.39Å
220	L	84.1	Confident	78.4	Confident	103 Å²	103	92 Å²	92	54%	0.539	45%	0.454	S	S	.	.	H	α-helix	trans	-59.9	-47.4	177.8	-66.6	175.2	0	0	0	112	I216 V217 R222 C223 M224	I216-L220 HydrophobicContact CG2-CD1 4.02Å; I216-L220 HydrophobicContact CG2-CG 4.36Å; I216-L220 WeakPolarHBondContact O-CG 3.36Å; I216-L220 PolarHBondContact O-N 2.98Å; V217-L220 PolarHBondContact O-N 3.25Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.98Å; L220-C223 WeakPolarHBondContact O-CB 3.48Å; L220-C223 PolarHBondContact O-N 3.24Å; L220-C223 VanDerWaalsContact O-N 3.09Å; L220-M224 WeakPolarHBondContact O-CG 3.36Å; L220-M224 PolarHBondContact O-N 3.45Å
221	L	84.4	Confident	76.6	Confident	106 Å²	106	96.3 Å²	96.3	56%	0.555	46%	0.462	S	S	*	.	H	α-helix	trans	-59.7	-39	176.8	-68.6	174.3	0	0	0	112.3	V217 M224 D225	V217-L221 HydrophobicContact CG1-CD1 3.96Å; V217-L221 HydrophobicContact CG1-CG 4.32Å; V217-L221 WeakPolarHBondContact O-CG 3.27Å; V217-L221 PolarHBondContact O-N 2.77Å; L221-M224 PolarHBondContact O-N 3.03Å; L221-D225 PolarHBondContact O-N 3.45Å
222	R	79.4	Confident	75	Confident	90 Å²	90	100.9 Å²	100.9	34%	0.34	48%	0.483	S	S	.	.	H	α-helix	trans	-67.7	-36.4	174.8	-77.6	-172.8	-72.7	-175.7	2.4	112.6	K218 A219 L220 R226	K218-R222 WeakPolarHBondContact O-CG 3.3Å; K218-R222 PolarHBondContact O-N 3.29Å; K218-R222 PolarHBondContact O-NE 2.92Å; A219-R222 PolarHBondContact O-N 2.83Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.98Å; R222-R226 WeakPolarHBondContact O-CG 3.5Å; R222-R226 PolarHBondContact O-N 2.8Å; R222-R226 VanDerWaalsContact O-N 3.12Å
223	C	78	Confident	73.3	Confident	83 Å²	83	102.9 Å²	102.9	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-66	-40.5	174.3	-70.9	0	0	0	0	111.6	A219 L220 R226 S227	A219-C223 PolarHBondContact O-N 2.75Å; A219-C223 PolarHBondContact O-SG 3.45Å; A219-C223 VanDerWaalsContact O-SG 3.39Å; L220-C223 WeakPolarHBondContact O-CB 3.48Å; L220-C223 PolarHBondContact O-N 3.24Å; L220-C223 VanDerWaalsContact O-N 3.09Å; C223-R226 PolarHBondContact O-N 2.89Å; C223-S227 PolarHBondContact O-N 2.97Å
224	M	79.3	Confident	71.5	Confident	128 Å²	128	106.2 Å²	106.2	63%	0.631	50%	0.504	S	S	*	.	H	α-helix	trans	-64.7	-46.2	176.4	-68	170.7	69.3	0	0	112.1	L220 L221 R226 S227 N228	L220-M224 WeakPolarHBondContact O-CG 3.36Å; L220-M224 PolarHBondContact O-N 3.45Å; L221-M224 PolarHBondContact O-N 3.03Å; M224-R226 VanDerWaalsContact C-N 3.34Å; M224-R226 PolarHBondContact O-N 3.22Å; M224-S227 WeakPolarHBondContact O-CB 3.44Å; M224-S227 PolarHBondContact O-N 3.41Å; M224-S227 VanDerWaalsContact O-N 3.15Å; M224-N228 PolarHBondContact O-N 3.15Å
225	D	75.3	Confident	70	Confident	83 Å²	83	102.2 Å²	102.2	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-39.6	176.9	-175.2	44.8	0	0	0	112.1	L221 S227 N228 K229	L221-D225 PolarHBondContact O-N 3.45Å; D225-S227 PolarHBondContact O-N 3.32Å; D225-N228 PolarHBondContact O-N 3.07Å; D225-K229 WeakPolarHBondContact O-CB 3.23Å; D225-K229 PolarHBondContact O-N 3.03Å; D225-K229 IonicContact OD2-NZ 3.7Å
226	R	67.7	Low	68.7	Low	178 Å²	178	105.8 Å²	105.8	67%	0.672	52%	0.518	S	S	*	.	H	α-helix	trans	-64.9	-37.2	173.3	-75.9	179.1	177.1	-174.7	-1.9	113.1	R222 C223 M224 R230	R222-R226 WeakPolarHBondContact O-CG 3.5Å; R222-R226 PolarHBondContact O-N 2.8Å; R222-R226 VanDerWaalsContact O-N 3.12Å; C223-R226 PolarHBondContact O-N 2.89Å; M224-R226 VanDerWaalsContact C-N 3.34Å; M224-R226 PolarHBondContact O-N 3.22Å; R226-R230 PolarHBondContact O-N 2.75Å; R226-R230 VanDerWaalsContact O-N 3.08Å
227	S	67.1	Low	67.4	Low	64 Å²	64	104.8 Å²	104.8	45%	0.448	52%	0.517	S	S	.	.	H	α-helix	trans	-65.8	-41.4	174.7	-171.6	0	0	0	0	111	C223 M224 D225 R230 K231	C223-S227 PolarHBondContact O-N 2.97Å; M224-S227 WeakPolarHBondContact O-CB 3.44Å; M224-S227 PolarHBondContact O-N 3.41Å; M224-S227 VanDerWaalsContact O-N 3.15Å; D225-S227 PolarHBondContact O-N 3.32Å; S227-R230 PolarHBondContact O-N 3.03Å; S227-R230 VanDerWaalsContact O-N 3.17Å; S227-K231 PolarHBondContact O-N 2.87Å; S227-K231 VanDerWaalsContact O-N 3.12Å
228	N	61.4	Low	66.1	Low	111 Å²	111	103.6 Å²	103.6	59%	0.594	51%	0.51	S	S	*	.	H	α-helix	trans	-68.2	-40.9	178.3	-140.1	18.2	0	0	0	112.2	M224 D225 R230 K231 H232	M224-N228 PolarHBondContact O-N 3.15Å; D225-N228 PolarHBondContact O-N 3.07Å; N228-R230 VanDerWaalsContact C-N 3.25Å; N228-R230 PolarHBondContact O-N 3.49Å; N228-K231 PolarHBondContact O-N 3.28Å; N228-H232 PolarHBondContact O-N 2.85Å
229	K	58.7	Low	64.9	Low	141 Å²	141	103.1 Å²	103.1	61%	0.613	52%	0.518	S	S	*	.	H	α-helix	trans	-69.1	-13.6	171.1	-78.2	-177	-178.7	171.8	0	114.8	D225 P233	D225-K229 WeakPolarHBondContact O-CB 3.23Å; D225-K229 PolarHBondContact O-N 3.03Å; D225-K229 IonicContact OD2-NZ 3.7Å; K229-P233 WeakPolarHBondContact O-CD 3.42Å; K229-P233 WeakPolarHBondContact O-CG 3.41Å
230	R	56.3	Low	63.8	Low	210 Å²	210	109.3 Å²	109.3	79%	0.792	54%	0.537	S	S	*	.	H	α-helix	trans	-86.2	-30.4	168.3	-85.5	-178.4	170.8	-179.2	-3.8	112.1	R226 S227 N228 P233	R226-R230 PolarHBondContact O-N 2.75Å; R226-R230 VanDerWaalsContact O-N 3.08Å; S227-R230 PolarHBondContact O-N 3.03Å; S227-R230 VanDerWaalsContact O-N 3.17Å; N228-R230 VanDerWaalsContact C-N 3.25Å; N228-R230 PolarHBondContact O-N 3.49Å; R230-P233 WeakPolarHBondContact O-CD 3.33Å
231	K	52.1	Low	62.5	Low	144 Å²	144	108.5 Å²	108.5	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-71.8	-38.9	174.3	-71.7	-176.3	177.5	-174.2	0	112.8	S227 N228 Y234 A235	S227-K231 PolarHBondContact O-N 2.87Å; S227-K231 VanDerWaalsContact O-N 3.12Å; N228-K231 PolarHBondContact O-N 3.28Å; K231-Y234 PolarHBondContact O-N 3.47Å; K231-A235 PolarHBondContact O-N 3.02Å
232	H	53.5	Low	61.6	Low	127 Å²	127	108.1 Å²	108.1	59%	0.588	53%	0.531	S	S	*	.	H	α-helix	trans	-60.5	-48.3	179.6	-156.7	-73.7	0	0	0	115	N228 Y234 A235 E236	N228-H232 PolarHBondContact O-N 2.85Å; H232-Y234 VanDerWaalsContact C-N 3.3Å; H232-Y234 PolarHBondContact O-N 2.88Å; H232-A235 PolarHBondContact O-N 3.21Å; H232-E236 IonicContact CE1-OE2 3.35Å; H232-E236 IonicContact ND1-OE2 3.92Å; H232-E236 PolarHBondContact ND1-OE2 2.97Å; H232-E236 VanDerWaalsContact O-CB 3.32Å; H232-E236 WeakPolarHBondContact O-CB 3.48Å; H232-E236 PolarHBondContact O-N 3.46Å
233	P	51	Low	61.1	Low	70 Å²	70	111.2 Å²	111.2	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-68.1	-27.2	179.5	23.6	-32	0	0	0	113	K229 R230 S237	K229-P233 WeakPolarHBondContact O-CD 3.42Å; K229-P233 WeakPolarHBondContact O-CG 3.41Å; R230-P233 WeakPolarHBondContact O-CD 3.33Å; P233-S237 WeakPolarHBondContact O-CB 3.47Å; P233-S237 PolarHBondContact O-N 2.94Å; P233-S237 PolarHBondContact O-OG 3.12Å
234	Y	50.5	Low	60.5	Low	170 Å²	170	113.7 Å²	113.7	67%	0.667	55%	0.549	S	S	*	.	H	α-helix	trans	-72.7	-42.6	173.2	-176.7	-102.5	0	0	0	112	K231 H232 E236 S237 V238	K231-Y234 PolarHBondContact O-N 3.47Å; H232-Y234 VanDerWaalsContact C-N 3.3Å; H232-Y234 PolarHBondContact O-N 2.88Å; Y234-E236 VanDerWaalsContact C-N 3.31Å; Y234-E236 PolarHBondContact O-N 3.43Å; Y234-S237 PolarHBondContact O-OG 3.34Å; Y234-V238 HydrophobicContact CD1-CG2 4.44Å; Y234-V238 HydrophobicContact CE1-CG2 4.14Å; Y234-V238 HydrophobicContact CE2-CG2 4.25Å; Y234-V238 WeakPolarHBondContact O-CB 3.29Å; Y234-V238 VanDerWaalsContact O-CG2 3.22Å; Y234-V238 WeakPolarHBondContact O-CG2 3.45Å; Y234-V238 PolarHBondContact O-N 3.29Å; Y234-V238 VanDerWaalsContact O-N 3.07Å
235	A	54.3	Low	59.8	Low	61 Å²	61	112 Å²	112	50%	0.504	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-36.1	174.6	0	0	0	0	0	112.1	K231 H232 S239	K231-A235 PolarHBondContact O-N 3.02Å; H232-A235 PolarHBondContact O-N 3.21Å; A235-S239 VanDerWaalsContact O-CB 3.31Å; A235-S239 WeakPolarHBondContact O-CB 3.47Å; A235-S239 PolarHBondContact O-N 3.01Å; A235-S239 VanDerWaalsContact O-N 3.1Å
236	E	55.4	Low	59.6	Low	84 Å²	84	114 Å²	114	39%	0.393	55%	0.549	S	S	.	.	H	α-helix	trans	-76	-31.9	179.7	-150.5	-176.6	150.7	0	0	113.1	H232 Y234 R240	H232-E236 IonicContact CE1-OE2 3.35Å; H232-E236 IonicContact ND1-OE2 3.92Å; H232-E236 PolarHBondContact ND1-OE2 2.97Å; H232-E236 VanDerWaalsContact O-CB 3.32Å; H232-E236 WeakPolarHBondContact O-CB 3.48Å; H232-E236 PolarHBondContact O-N 3.46Å; Y234-E236 VanDerWaalsContact C-N 3.31Å; Y234-E236 PolarHBondContact O-N 3.43Å; E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 2.8Å; E236-R240 IonicContact OE1-NH2 3.71Å; E236-R240 PolarHBondContact OE1-NH2 3.45Å
237	S	56.8	Low	59.7	Low	52 Å²	52	109.8 Å²	109.8	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-71.4	-44.9	172.5	64.8	0	0	0	0	111.9	P233 Y234 S239 R240 D241	P233-S237 WeakPolarHBondContact O-CB 3.47Å; P233-S237 PolarHBondContact O-N 2.94Å; P233-S237 PolarHBondContact O-OG 3.12Å; Y234-S237 PolarHBondContact O-OG 3.34Å; S237-S239 VanDerWaalsContact C-N 3.31Å; S237-S239 PolarHBondContact O-N 3.15Å; S237-R240 PolarHBondContact O-N 3.49Å; S237-D241 PolarHBondContact O-N 3.15Å
238	V	58.8	Low	59.5	Low	55 Å²	55	111.9 Å²	111.9	33%	0.333	55%	0.549	S	S	.	.	H	α-helix	trans	-61.7	-38.8	177	171.2	0	0	0	0	111.5	Y234 D241 N242	Y234-V238 HydrophobicContact CD1-CG2 4.44Å; Y234-V238 HydrophobicContact CE1-CG2 4.14Å; Y234-V238 HydrophobicContact CE2-CG2 4.25Å; Y234-V238 WeakPolarHBondContact O-CB 3.29Å; Y234-V238 VanDerWaalsContact O-CG2 3.22Å; Y234-V238 WeakPolarHBondContact O-CG2 3.45Å; Y234-V238 PolarHBondContact O-N 3.29Å; Y234-V238 VanDerWaalsContact O-N 3.07Å; V238-D241 PolarHBondContact O-N 3.44Å; V238-N242 PolarHBondContact O-N 3.5Å
239	S	57.9	Low	59.6	Low	82 Å²	82	112 Å²	112	57%	0.573	55%	0.549	S	S	*	.	H	α-helix	trans	-69.7	-32.9	177.6	-154.3	0	0	0	0	112.9	A235 S237 K243	A235-S239 VanDerWaalsContact O-CB 3.31Å; A235-S239 WeakPolarHBondContact O-CB 3.47Å; A235-S239 PolarHBondContact O-N 3.01Å; A235-S239 VanDerWaalsContact O-N 3.1Å; S237-S239 VanDerWaalsContact C-N 3.31Å; S237-S239 PolarHBondContact O-N 3.15Å; S239-K243 WeakPolarHBondContact O-CB 3.37Å; S239-K243 PolarHBondContact O-N 3.05Å
240	R	57.5	Low	59.8	Low	154 Å²	154	110.7 Å²	110.7	58%	0.581	55%	0.547	S	S	*	.	H	α-helix	trans	-70.6	-38.8	172.8	-85.7	-178.6	-131.8	-176.1	0.3	113.1	E236 S237 K243 K244	E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 2.8Å; E236-R240 IonicContact OE1-NH2 3.71Å; E236-R240 PolarHBondContact OE1-NH2 3.45Å; S237-R240 PolarHBondContact O-N 3.49Å; R240-K243 PolarHBondContact O-N 3.26Å; R240-K244 PolarHBondContact O-N 3.48Å; R240-K244 VanDerWaalsContact O-N 3.11Å
241	D	58	Low	59.9	Low	85 Å²	85	104 Å²	104	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-70.4	-40.1	179.5	-69.7	-29.1	0	0	0	111.6	S237 V238 K243 K244 N245	S237-D241 PolarHBondContact O-N 3.15Å; V238-D241 PolarHBondContact O-N 3.44Å; D241-K243 VanDerWaalsContact C-N 3.34Å; D241-K243 PolarHBondContact O-N 2.86Å; D241-K244 PolarHBondContact O-N 2.99Å; D241-N245 VanDerWaalsContact O-CG 3.23Å; D241-N245 PolarHBondContact O-N 3.03Å; D241-N245 PolarHBondContact O-ND2 3.32Å
242	N	64.4	Low	60.2	Low	98 Å²	98	100.2 Å²	100.2	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-60.2	-42.5	172.7	-81.3	-8.5	0	0	0	112.2	V238 K244 N245 E246	V238-N242 PolarHBondContact O-N 3.5Å; N242-K244 VanDerWaalsContact C-N 3.34Å; N242-K244 PolarHBondContact O-N 3.26Å; N242-N245 PolarHBondContact O-N 2.99Å; N242-E246 PolarHBondContact O-N 3.09Å
243	K	68.4	Low	60.4	Low	155 Å²	155	100.7 Å²	100.7	67%	0.674	53%	0.529	S	S	*	.	H	α-helix	trans	-68	-32.8	-179.8	-151.1	171.1	-169.1	175.6	0	113	S239 R240 D241 T247	S239-K243 WeakPolarHBondContact O-CB 3.37Å; S239-K243 PolarHBondContact O-N 3.05Å; R240-K243 PolarHBondContact O-N 3.26Å; D241-K243 VanDerWaalsContact C-N 3.34Å; D241-K243 PolarHBondContact O-N 2.86Å; K243-T247 PolarHBondContact O-N 3.36Å; K243-T247 PolarHBondContact O-OG1 2.72Å
244	K	66.8	Low	60.4	Low	136 Å²	136	103.2 Å²	103.2	59%	0.591	54%	0.538	S	S	*	.	H	α-helix	trans	-68.8	-40.7	171.5	-83.1	-178.5	176.6	178.8	0	112.2	R240 D241 N242 T247 L248	R240-K244 PolarHBondContact O-N 3.48Å; R240-K244 VanDerWaalsContact O-N 3.11Å; D241-K244 PolarHBondContact O-N 2.99Å; N242-K244 VanDerWaalsContact C-N 3.34Å; N242-K244 PolarHBondContact O-N 3.26Å; K244-T247 WeakPolarHBondContact CA-OG1 3.29Å; K244-T247 PolarHBondContact O-N 3Å; K244-T247 PolarHBondContact O-OG1 3.31Å; K244-T247 VanDerWaalsContact O-OG1 3.1Å; K244-L248 WeakPolarHBondContact O-CB 3.47Å; K244-L248 PolarHBondContact O-N 3.41Å
245	N	64.6	Low	60.4	Low	92 Å²	92	99.1 Å²	99.1	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-67.5	-38.7	178.5	-68.5	-14.5	0	0	0	111.8	D241 N242 L248 L249	D241-N245 VanDerWaalsContact O-CG 3.23Å; D241-N245 PolarHBondContact O-N 3.03Å; D241-N245 PolarHBondContact O-ND2 3.32Å; N242-N245 PolarHBondContact O-N 2.99Å; N245-L248 PolarHBondContact O-N 3.1Å; N245-L249 WeakPolarHBondContact O-CG 3.19Å; N245-L249 PolarHBondContact O-N 2.86Å
246	E	70.6	Confident	60.1	Low	126 Å²	126	100.3 Å²	100.3	59%	0.589	54%	0.54	S	S	*	.	H	α-helix	trans	-63	-42.9	173.3	-76	-175.5	136.4	0	0	112.4	N242 L248 L249 L250	N242-E246 PolarHBondContact O-N 3.09Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.05Å; E246-L249 PolarHBondContact O-N 3.42Å; E246-L250 PolarHBondContact O-N 3.23Å
247	T	68.8	Low	59.8	Low	89 Å²	89	100.9 Å²	100.9	55%	0.546	55%	0.553	S	S	.	*	H	α-helix	trans	-68.5	-30.9	177.7	26.8	0	0	0	0	113.2	K243 K244 S251	K243-T247 PolarHBondContact O-N 3.36Å; K243-T247 PolarHBondContact O-OG1 2.72Å; K244-T247 WeakPolarHBondContact CA-OG1 3.29Å; K244-T247 PolarHBondContact O-N 3Å; K244-T247 PolarHBondContact O-OG1 3.31Å; K244-T247 VanDerWaalsContact O-OG1 3.1Å; T247-S251 PolarHBondContact O-N 3.05Å; T247-S251 PolarHBondContact O-OG 3.4Å
248	L	64.2	Low	59.3	Low	108 Å²	108	105.6 Å²	105.6	57%	0.565	57%	0.574	S	S	*	*	H	α-helix	trans	-70.8	-35.3	172	-108.9	147	0	0	0	112.7	K244 N245 E246 S251 S252	K244-L248 WeakPolarHBondContact O-CB 3.47Å; K244-L248 PolarHBondContact O-N 3.41Å; N245-L248 PolarHBondContact O-N 3.1Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.05Å; L248-S251 PolarHBondContact O-OG 3.09Å; L248-S252 PolarHBondContact O-N 3.25Å; L248-S252 PolarHBondContact O-OG 3.41Å
249	L	62.1	Low	58.7	Low	114 Å²	114	111.9 Å²	111.9	60%	0.597	60%	0.597	S	S	*	*	H	α-helix	trans	-69.9	-41.7	175.5	-77.4	167.3	0	0	0	112	N245 E246 S251 S252 M253	N245-L249 WeakPolarHBondContact O-CG 3.19Å; N245-L249 PolarHBondContact O-N 2.86Å; E246-L249 PolarHBondContact O-N 3.42Å; L249-S251 PolarHBondContact O-N 2.84Å; L249-S252 WeakPolarHBondContact O-CB 3.23Å; L249-S252 PolarHBondContact O-N 2.86Å; L249-M253 WeakPolarHBondContact O-CG 3.48Å; L249-M253 PolarHBondContact O-N 3.49Å; L249-M253 VanDerWaalsContact O-N 3.15Å
250	L	63.2	Low	58.1	Low	112 Å²	112	113.6 Å²	113.6	59%	0.586	60%	0.604	S	S	*	*	H	α-helix	trans	-61.1	-42.3	175.8	-87	146.9	0	0	0	112.5	E246 S252 M253 D254	E246-L250 PolarHBondContact O-N 3.23Å; L250-S252 VanDerWaalsContact C-N 3.31Å; L250-S252 PolarHBondContact O-N 3.4Å; L250-M253 PolarHBondContact O-N 3.16Å; L250-D254 PolarHBondContact O-N 3.05Å
251	S	59.8	Low	57.2	Low	69 Å²	69	116.8 Å²	116.8	48%	0.483	64%	0.64	S	S	.	*	H	α-helix	trans	-70.9	-25.4	177	59.7	0	0	0	0	113.7	T247 L248 L249 S255	T247-S251 PolarHBondContact O-N 3.05Å; T247-S251 PolarHBondContact O-OG 3.4Å; L248-S251 PolarHBondContact O-OG 3.09Å; L249-S251 PolarHBondContact O-N 2.84Å; S251-S255 PolarHBondContact O-N 3.14Å
252	S	58.7	Low	57.2	Low	66 Å²	66	118.4 Å²	118.4	46%	0.462	65%	0.649	S	S	.	*	H	α-helix	trans	-73.2	-33.4	174.7	-54.8	0	0	0	0	112.4	L248 L249 L250 S256	L248-S252 PolarHBondContact O-N 3.25Å; L248-S252 PolarHBondContact O-OG 3.41Å; L249-S252 WeakPolarHBondContact O-CB 3.23Å; L249-S252 PolarHBondContact O-N 2.86Å; L250-S252 VanDerWaalsContact C-N 3.31Å; L250-S252 PolarHBondContact O-N 3.4Å; S252-S256 PolarHBondContact O-N 2.65Å
253	M	56.6	Low	56.8	Low	137 Å²	137	119.5 Å²	119.5	68%	0.675	66%	0.656	S	S	*	*	H	α-helix	trans	-73.9	-36.4	178.2	-67.2	172.5	99.5	0	0	111.8	L249 L250 S255 S256 S257	L249-M253 WeakPolarHBondContact O-CG 3.48Å; L249-M253 PolarHBondContact O-N 3.49Å; L249-M253 VanDerWaalsContact O-N 3.15Å; L250-M253 PolarHBondContact O-N 3.16Å; M253-S255 VanDerWaalsContact C-N 3.35Å; M253-S255 PolarHBondContact O-N 3.17Å; M253-S256 PolarHBondContact O-N 3.03Å; M253-S257 PolarHBondContact O-N 2.75Å
254	D	52	Low	56.1	Low	122 Å²	122	117.5 Å²	117.5	65%	0.652	66%	0.655	S	S	*	*	H	α-helix	trans	-68.1	-31.3	174.9	-79.2	-21.6	0	0	0	113	L250 S256	L250-D254 PolarHBondContact O-N 3.05Å; D254-S256 VanDerWaalsContact C-N 3.33Å; D254-S256 PolarHBondContact O-N 3.09Å
255	S	50.1	Low	55.5	Low	85 Å²	85	116.4 Å²	116.4	59%	0.594	66%	0.659	S	S	*	*	H	α-helix	trans	-73.3	-24.3	176.4	-168.1	0	0	0	0	113.1	S251 M253	S251-S255 PolarHBondContact O-N 3.14Å; M253-S255 VanDerWaalsContact C-N 3.35Å; M253-S255 PolarHBondContact O-N 3.17Å
256	S	48.3	Very low	54.9	Low	86 Å²	86	117.9 Å²	117.9	60%	0.601	67%	0.669	S	S	*	*	H	α-helix	trans	-85.2	-21.7	178.6	-159.1	0	0	0	0	113.7	S252 M253 D254 N258	S252-S256 PolarHBondContact O-N 2.65Å; M253-S256 PolarHBondContact O-N 3.03Å; D254-S256 VanDerWaalsContact C-N 3.33Å; D254-S256 PolarHBondContact O-N 3.09Å; S256-N258 VanDerWaalsContact C-N 3.29Å; S256-N258 PolarHBondContact O-N 3.2Å
257	S	49.1	Very low	53.9	Low	96 Å²	96	117.4 Å²	117.4	67%	0.671	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-75.2	-13.8	173.3	-88.1	0	0	0	0	114	M253	M253-S257 PolarHBondContact O-N 2.75Å
258	N	46.1	Very low	52.8	Low	151 Å²	151	119.4 Å²	119.4	81%	0.807	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-96.6	16.9	-179.8	-102.2	-1.7	0	0	0	114.5	S256	S256-N258 VanDerWaalsContact C-N 3.29Å; S256-N258 PolarHBondContact O-N 3.2Å
259	K	45.5	Very low	52	Low	187 Å²	187	120.3 Å²	120.3	81%	0.813	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-119.2	10.7	179.1	-88.2	-173.1	177.9	177.6	0	115.8
260	T	46.4	Very low	51.1	Low	118 Å²	118	120.8 Å²	120.8	72%	0.724	70%	0.701	S	S	*	*			trans	-141.2	81.8	172.4	34.5	0	0	0	0	110.3
261	V	37.8	Very low	50	Low	221 Å²	221	121.6 Å²	121.6	100%	1.339	71%	0.711	S	S	*	*				-163.5	0	129.2	174.1	0	0	0	0	106.8

Retrieved 261 of 261 residues in 698.2 ms (Link to these results)

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