A0A087YR89_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 A0A087YR89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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	M	53.5	Low	60.3	Low	148 Å²	148	97.8 Å²	97.8	73%	0.729	53%	0.526	S	S	*	.				0	127.9	0	-155.1	153.9	74.5	0	0	108.6	W3 L6 V37	M1-W3 PolarHBondContact O-N 3.42Å; M1-L6 HydrophobicContact CE-CD1 4.15Å; M1-L6 HydrophobicContact CG-CD1 4.21Å; M1-V37 HydrophobicContact CE-CG2 3.83Å
2	N	64.3	Low	60.1	Low	136 Å²	136	92.2 Å²	92.2	73%	0.727	51%	0.508	S	S	*	.			trans	-76.7	100.2	-176.5	-87.5	-11.5	0	0	0	111.3	A4 F5	N2-A4 PolarHBondContact O-N 2.84Å; N2-F5 HydrophobicContact CB-CB 4.47Å; N2-F5 PolarHBondContact O-N 3.03Å; N2-F5 VanDerWaalsContact O-N 3.13Å
3	W	62	Low	60.1	Low	171 Å²	171	85.9 Å²	85.9	65%	0.648	47%	0.474	S	S	*	.	H	α-helix	trans	-57.8	-29.7	178.3	-69.2	99.5	0	0	0	113.8	M1 F5 L6 Q7	M1-W3 PolarHBondContact O-N 3.42Å; W3-F5 VanDerWaalsContact C-N 3.33Å; W3-F5 PolarHBondContact O-N 3.16Å; W3-L6 PolarHBondContact O-N 2.92Å; W3-Q7 WeakPolarHBondContact O-CB 3.38Å; W3-Q7 PolarHBondContact O-N 3.21Å
4	A	61.9	Low	60.1	Low	77 Å²	77	85.6 Å²	85.6	64%	0.636	47%	0.472	S	S	*	.	H	α-helix	trans	-63.3	-35	176.8	0	0	0	0	0	113.3	N2 Q7 G8	N2-A4 PolarHBondContact O-N 2.84Å; A4-Q7 PolarHBondContact O-N 3.05Å; A4-G8 PolarHBondContact O-N 2.02Å
5	F	62.6	Low	60	Low	142 Å²	142	89.4 Å²	89.4	62%	0.623	48%	0.484	S	S	*	.	H	α-helix	trans	-70	-43.5	176.8	175.8	-104.1	0	0	0	111.4	N2 W3 Q7 G8 L9	N2-F5 HydrophobicContact CB-CB 4.47Å; N2-F5 PolarHBondContact O-N 3.03Å; N2-F5 VanDerWaalsContact O-N 3.13Å; W3-F5 VanDerWaalsContact C-N 3.33Å; W3-F5 PolarHBondContact O-N 3.16Å; F5-Q7 VanDerWaalsContact C-N 3.33Å; F5-Q7 PolarHBondContact O-N 3.12Å; F5-G8 PolarHBondContact O-N 3.06Å; F5-L9 HydrophobicContact CD1-CD1 4.01Å; F5-L9 HydrophobicContact CE1-CD1 3.45Å; F5-L9 VanDerWaalsContact CE1-CD1 3.45Å; F5-L9 HydrophobicContact CE1-CG 4.31Å; F5-L9 HydrophobicContact CE2-CD1 4.43Å; F5-L9 HydrophobicContact CZ-CD1 3.69Å; F5-L9 HydrophobicContact CZ-CG 4.24Å; F5-L9 PolarHBondContact O-N 2.93Å
6	L	58.7	Low	59.8	Low	24 Å²	24	89.4 Å²	89.4	13%	0.126	48%	0.476	C	S	.	.	H	α-helix	trans	-60.2	-42.2	173.5	-91.8	121.3	0	0	0	111.4	M1 W3 L9 L10 F29 I33	M1-L6 HydrophobicContact CE-CD1 4.15Å; M1-L6 HydrophobicContact CG-CD1 4.21Å; W3-L6 PolarHBondContact O-N 2.92Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-L10 PolarHBondContact O-N 2.9Å; L6-F29 HydrophobicContact CB-CE1 4.09Å; L6-F29 HydrophobicContact CB-CZ 3.55Å; L6-F29 HydrophobicContact CD2-CE1 3.56Å; L6-F29 HydrophobicContact CD2-CE2 3.57Å; L6-F29 HydrophobicContact CD2-CZ 3.02Å; L6-F29 HydrophobicContact CG-CE1 4.39Å; L6-F29 HydrophobicContact CG-CE2 4.41Å; L6-F29 HydrophobicContact CG-CZ 3.7Å; L6-F29 WeakPolarHBondContact O-CZ 3.29Å; L6-I33 HydrophobicContact CD2-CD1 4.48Å
7	Q	61.4	Low	60	Low	139 Å²	139	85.5 Å²	85.5	65%	0.65	46%	0.458	S	S	*	.	H	α-helix	trans	-65.8	-38.7	177.1	-170.7	172.8	-4.4	0	0	112.6	W3 A4 F5 L10 S11	W3-Q7 WeakPolarHBondContact O-CB 3.38Å; W3-Q7 PolarHBondContact O-N 3.21Å; A4-Q7 PolarHBondContact O-N 3.05Å; F5-Q7 VanDerWaalsContact C-N 3.33Å; F5-Q7 PolarHBondContact O-N 3.12Å; Q7-L10 PolarHBondContact O-N 2.03Å; Q7-S11 PolarHBondContact O-N 3.19Å
8	G	59.6	Low	60.4	Low	50 Å²	50	82.4 Å²	82.4	52%	0.515	44%	0.443	S	S	.	.	H	α-helix	trans	-62.8	-43.8	174.1	0	0	0	0	0	112.7	A4 F5 G12	A4-G8 PolarHBondContact O-N 2.02Å; F5-G8 PolarHBondContact O-N 3.06Å; G8-G12 PolarHBondContact O-N 3.4Å
9	L	60.8	Low	60.7	Low	61 Å²	61	80.9 Å²	80.9	32%	0.319	44%	0.443	S	S	.	.	H	α-helix	trans	-63.3	-42.5	174.5	-72.5	176.6	0	0	0	112	F5 L6 V13 F89	F5-L9 HydrophobicContact CD1-CD1 4.01Å; F5-L9 HydrophobicContact CE1-CD1 3.45Å; F5-L9 VanDerWaalsContact CE1-CD1 3.45Å; F5-L9 HydrophobicContact CE1-CG 4.31Å; F5-L9 HydrophobicContact CE2-CD1 4.43Å; F5-L9 HydrophobicContact CZ-CD1 3.69Å; F5-L9 HydrophobicContact CZ-CG 4.24Å; F5-L9 PolarHBondContact O-N 2.93Å; L6-L9 PolarHBondContact O-N 3.44Å; L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 3.33Å; L9-V13 VanDerWaalsContact O-N 3.14Å; L9-F89 HydrophobicContact CB-CE1 4.29Å; L9-F89 HydrophobicContact CD1-CE1 4.33Å; L9-F89 HydrophobicContact CD1-CZ 4.25Å; L9-F89 HydrophobicContact CD2-CE1 4.23Å
10	L	59.6	Low	61	Low	45 Å²	45	81.4 Å²	81.4	24%	0.236	44%	0.44	C	S	.	.	H	α-helix	trans	-61.1	-46.2	177.6	-87.6	176.3	0	0	0	113.4	L6 Q7 G12 V13 N14 F29	L6-L10 PolarHBondContact O-N 2.9Å; Q7-L10 PolarHBondContact O-N 2.03Å; L10-G12 VanDerWaalsContact C-N 3.32Å; L10-G12 PolarHBondContact O-N 3.48Å; L10-V13 PolarHBondContact O-N 3.13Å; L10-N14 VanDerWaalsContact O-CB 3.29Å; L10-N14 WeakPolarHBondContact O-CB 3.04Å; L10-N14 PolarHBondContact O-N 2.05Å; L10-F29 HydrophobicContact CD1-CD1 3.35Å; L10-F29 HydrophobicContact CD1-CE1 3.06Å; L10-F29 HydrophobicContact CD1-CE2 4.47Å; L10-F29 HydrophobicContact CD1-CG 4.16Å; L10-F29 HydrophobicContact CD1-CZ 3.65Å; L10-F29 HydrophobicContact CD2-CB 3.9Å; L10-F29 HydrophobicContact CD2-CD1 3.61Å; L10-F29 HydrophobicContact CD2-CD2 3.75Å; L10-F29 HydrophobicContact CD2-CE1 3.89Å; L10-F29 HydrophobicContact CD2-CE2 4Å; L10-F29 HydrophobicContact CD2-CG 3.49Å; L10-F29 VanDerWaalsContact CD2-CG 3.49Å; L10-F29 HydrophobicContact CD2-CZ 4Å; L10-F29 HydrophobicContact CG-CD1 3.61Å; L10-F29 HydrophobicContact CG-CD2 4.08Å; L10-F29 HydrophobicContact CG-CE1 3.33Å; L10-F29 HydrophobicContact CG-CE2 3.81Å; L10-F29 HydrophobicContact CG-CG 3.93Å; L10-F29 HydrophobicContact CG-CZ 3.38Å
11	S	58.5	Low	61.4	Low	83 Å²	83	77.7 Å²	77.7	58%	0.58	42%	0.421	S	S	*	.	H	α-helix	trans	-60.3	-45	-178	-174.5	0	0	0	0	111.1	Q7 N14 Q15	Q7-S11 PolarHBondContact O-N 3.19Å; S11-N14 PolarHBondContact O-N 2.9Å; S11-Q15 PolarHBondContact O-N 2.83Å
12	G	57.7	Low	62.3	Low	30 Å²	30	76 Å²	76	31%	0.309	41%	0.407	S	S	.	.	H	α-helix	trans	-63.6	-41.9	177.5	0	0	0	0	0	113	G8 L10 Y16	G8-G12 PolarHBondContact O-N 3.4Å; L10-G12 VanDerWaalsContact C-N 3.32Å; L10-G12 PolarHBondContact O-N 3.48Å; G12-Y16 WeakPolarHBondContact O-CD2 3.1Å; G12-Y16 WeakPolarHBondContact O-CE2 3.4Å
13	V	60.7	Low	62.9	Low	11 Å²	11	73 Å²	73	7%	0.067	39%	0.394	C	S	.	.	H	α-helix	trans	-71.8	-35.4	-179.6	-179.1	0	0	0	0	111.6	L9 L10 Q15 Y16 L25 F89 V92	L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 3.33Å; L9-V13 VanDerWaalsContact O-N 3.14Å; L10-V13 PolarHBondContact O-N 3.13Å; V13-Q15 VanDerWaalsContact C-N 3.29Å; V13-Q15 PolarHBondContact O-N 2.86Å; V13-Y16 PolarHBondContact O-N 3.17Å; V13-L25 HydrophobicContact CB-CD1 4.23Å; V13-L25 HydrophobicContact CG1-CD1 3.22Å; V13-L25 HydrophobicContact CG1-CD2 3.73Å; V13-L25 HydrophobicContact CG1-CG 4.09Å; V13-F89 HydrophobicContact CG2-CD1 4.29Å; V13-F89 HydrophobicContact CG2-CE1 4.09Å; V13-V92 HydrophobicContact CB-CG2 4.19Å; V13-V92 HydrophobicContact CG1-CG2 3.69Å; V13-V92 HydrophobicContact CG2-CB 4.41Å; V13-V92 HydrophobicContact CG2-CG1 4.11Å; V13-V92 HydrophobicContact CG2-CG2 3.91Å
14	N	60.1	Low	63.5	Low	82 Å²	82	65.4 Å²	65.4	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-64.2	-31.4	-177.9	-164.2	36.9	0	0	0	113	L10 S11 Y16 R22	L10-N14 VanDerWaalsContact O-CB 3.29Å; L10-N14 WeakPolarHBondContact O-CB 3.04Å; L10-N14 PolarHBondContact O-N 2.05Å; S11-N14 PolarHBondContact O-N 2.9Å; N14-Y16 VanDerWaalsContact C-N 3.35Å; N14-Y16 PolarHBondContact O-N 2.96Å; N14-R22 WeakPolarHBondContact OD1-CD 3.38Å; N14-R22 WeakPolarHBondContact OD1-CG 2.95Å
15	Q	58.6	Low	64	Low	142 Å²	142	62.9 Å²	62.9	66%	0.664	34%	0.34	S	S	*	.	H	α-helix	trans	-69.3	-28	-176.7	-172.5	173.3	-15	0	0	113.7	S11 V13	S11-Q15 PolarHBondContact O-N 2.83Å; V13-Q15 VanDerWaalsContact C-N 3.29Å; V13-Q15 PolarHBondContact O-N 2.86Å
16	Y	57.1	Low	64.6	Low	89 Å²	89	58.6 Å²	58.6	35%	0.349	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	1.8	-175.5	-54.4	-74.5	0	0	0	113.7	G12 V13 N14 V95 E99	G12-Y16 WeakPolarHBondContact O-CD2 3.1Å; G12-Y16 WeakPolarHBondContact O-CE2 3.4Å; V13-Y16 PolarHBondContact O-N 3.17Å; N14-Y16 VanDerWaalsContact C-N 3.35Å; N14-Y16 PolarHBondContact O-N 2.96Å; Y16-V95 HydrophobicContact CD1-CG1 3.79Å; Y16-V95 HydrophobicContact CE1-CG1 4.38Å; Y16-V95 HydrophobicContact CG-CG1 4.1Å; Y16-E99 VanDerWaalsContact CE1-OE1 3.26Å; Y16-E99 WeakPolarHBondContact CE1-OE1 3.37Å; Y16-E99 VanDerWaalsContact CE1-OE2 3.27Å; Y16-E99 WeakPolarHBondContact CE1-OE2 3.45Å; Y16-E99 PolarHBondContact OH-OE2 3.18Å
17	S	62.4	Low	65.4	Low	24 Å²	24	59.4 Å²	59.4	17%	0.168	33%	0.332	C	S	.	.	S	Bend	trans	-95.1	145	-173.3	-153.8	0	0	0	0	112.6	G21 R22	S17-G21 WeakPolarHBondContact OG-CA 3.48Å; S17-R22 PolarHBondContact O-NH1 3.16Å
18	T	66.9	Low	65.9	Low	30 Å²	30	53 Å²	53	18%	0.184	30%	0.302	C	S	.	.			trans	-60.2	159.9	170	49.1	0	0	0	0	110.1	F20 G21 R22 E204	T18-F20 PolarHBondContact O-N 3.06Å; T18-F20 VanDerWaalsContact O-N 3.12Å; T18-G21 PolarHBondContact O-N 2.87Å; T18-G21 PolarHBondContact OG1-N 3.28Å; T18-G21 VanDerWaalsContact OG1-N 3.07Å; T18-R22 WeakPolarHBondContact O-CG 3.48Å; T18-R22 PolarHBondContact O-N 3.42Å; T18-E204 PolarHBondContact OG1-OE1 3.18Å
19	A	67.4	Low	66.3	Low	54 Å²	54	51.9 Å²	51.9	45%	0.446	28%	0.283	S	S	.	.	H	α-helix	trans	-51	-39	174.9	0	0	0	0	0	112.3	R22 V23	A19-R22 PolarHBondContact O-N 2.72Å; A19-V23 WeakPolarHBondContact O-CG2 3.48Å; A19-V23 PolarHBondContact O-N 3.22Å
20	F	66.2	Low	66.7	Low	89 Å²	89	53.2 Å²	53.2	39%	0.39	29%	0.29	S	S	.	.	H	α-helix	trans	-67.5	-44	174.5	-65.3	-76.9	0	0	0	113.2	T18 R22 V23 W24	T18-F20 PolarHBondContact O-N 3.06Å; T18-F20 VanDerWaalsContact O-N 3.12Å; F20-R22 VanDerWaalsContact C-N 3.29Å; F20-R22 PolarHBondContact O-N 3.22Å; F20-V23 PolarHBondContact O-N 2.89Å; F20-W24 PolarHBondContact O-N 2.77Å
21	G	68.9	Low	67.6	Low	4 Å²	4	56.1 Å²	56.1	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-65.6	-29.7	176.2	0	0	0	0	0	113.4	S17 T18 L25	S17-G21 WeakPolarHBondContact OG-CA 3.48Å; T18-G21 PolarHBondContact O-N 2.87Å; T18-G21 PolarHBondContact OG1-N 3.28Å; T18-G21 VanDerWaalsContact OG1-N 3.07Å; G21-L25 WeakPolarHBondContact O-CB 3.02Å; G21-L25 VanDerWaalsContact O-CD1 3.29Å; G21-L25 WeakPolarHBondContact O-CD1 3.1Å; G21-L25 WeakPolarHBondContact O-CG 3.32Å; G21-L25 PolarHBondContact O-N 3.24Å
22	R	73.5	Confident	68.9	Low	113 Å²	113	52.2 Å²	52.2	43%	0.426	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-43.5	171.7	-64.7	-167.2	-67.9	-104.3	8.7	112.2	N14 S17 T18 A19 F20 L25 S26	N14-R22 WeakPolarHBondContact OD1-CD 3.38Å; N14-R22 WeakPolarHBondContact OD1-CG 2.95Å; S17-R22 PolarHBondContact O-NH1 3.16Å; T18-R22 WeakPolarHBondContact O-CG 3.48Å; T18-R22 PolarHBondContact O-N 3.42Å; A19-R22 PolarHBondContact O-N 2.72Å; F20-R22 VanDerWaalsContact C-N 3.29Å; F20-R22 PolarHBondContact O-N 3.22Å; R22-L25 PolarHBondContact O-N 3.47Å; R22-S26 WeakPolarHBondContact O-CB 3.36Å; R22-S26 PolarHBondContact O-N 3.48Å
23	V	75.7	Confident	70.2	Confident	74 Å²	74	52.4 Å²	52.4	45%	0.448	27%	0.267	S	S	.	.	H	α-helix	trans	-63.9	-45	174.6	173.8	0	0	0	0	110.5	A19 F20 L25 S26 I27 L200	A19-V23 WeakPolarHBondContact O-CG2 3.48Å; A19-V23 PolarHBondContact O-N 3.22Å; F20-V23 PolarHBondContact O-N 2.89Å; V23-L25 PolarHBondContact O-N 3.02Å; V23-S26 WeakPolarHBondContact O-CB 3.31Å; V23-S26 PolarHBondContact O-N 3.42Å; V23-I27 HydrophobicContact CG1-CD1 3.82Å; V23-I27 WeakPolarHBondContact O-CG1 3.43Å; V23-I27 PolarHBondContact O-N 3.08Å; V23-L200 HydrophobicContact CG1-CD1 4.44Å
24	W	75.8	Confident	71.3	Confident	11 Å²	11	56.3 Å²	56.3	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-46.1	176.4	-177.4	91	0	0	0	112.1	F20 S26 I27 V28 V84 S88 K138	F20-W24 PolarHBondContact O-N 2.77Å; W24-S26 VanDerWaalsContact C-N 3.35Å; W24-S26 PolarHBondContact O-N 3.28Å; W24-I27 PolarHBondContact O-N 3.22Å; W24-V28 HydrophobicContact CD2-CG2 3.89Å; W24-V28 HydrophobicContact CE3-CG2 4.32Å; W24-V28 HydrophobicContact CG-CG2 4.39Å; W24-V28 HydrophobicContact CH2-CB 4.45Å; W24-V28 HydrophobicContact CH2-CG1 4.26Å; W24-V28 HydrophobicContact CH2-CG2 4.15Å; W24-V28 HydrophobicContact CZ2-CG2 3.74Å; W24-V28 HydrophobicContact CZ3-CB 4.48Å; W24-V28 HydrophobicContact CZ3-CG2 4.43Å; W24-V28 WeakPolarHBondContact O-CB 3.39Å; W24-V28 WeakPolarHBondContact O-CG2 3.42Å; W24-V28 PolarHBondContact O-N 3.48Å; W24-V84 HydrophobicContact CH2-CG1 3.62Å; W24-V84 HydrophobicContact CZ2-CG1 3.39Å; W24-S88 WeakPolarHBondContact CH2-OG 3.24Å; W24-K138 HydrophobicContact CH2-CD 4.19Å; W24-K138 HydrophobicContact CZ2-CD 3.88Å; W24-K138 VanDerWaalsContact CZ3-NZ 3.26Å
25	L	72.2	Confident	72.6	Confident	23 Å²	23	53.2 Å²	53.2	12%	0.12	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-42.1	176.6	-76	160.2	0	0	0	111.8	V13 G21 R22 V23 I27 F29	V13-L25 HydrophobicContact CB-CD1 4.23Å; V13-L25 HydrophobicContact CG1-CD1 3.22Å; V13-L25 HydrophobicContact CG1-CD2 3.73Å; V13-L25 HydrophobicContact CG1-CG 4.09Å; G21-L25 WeakPolarHBondContact O-CB 3.02Å; G21-L25 VanDerWaalsContact O-CD1 3.29Å; G21-L25 WeakPolarHBondContact O-CD1 3.1Å; G21-L25 WeakPolarHBondContact O-CG 3.32Å; G21-L25 PolarHBondContact O-N 3.24Å; R22-L25 PolarHBondContact O-N 3.47Å; V23-L25 PolarHBondContact O-N 3.02Å; L25-I27 VanDerWaalsContact C-N 3.35Å; L25-I27 PolarHBondContact O-N 2.87Å; L25-F29 WeakPolarHBondContact O-CA 3.28Å; L25-F29 WeakPolarHBondContact O-CB 3.24Å; L25-F29 PolarHBondContact O-N 3.42Å
26	S	75.6	Confident	74.1	Confident	53 Å²	53	48.3 Å²	48.3	37%	0.371	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-45.8	176	-176.6	0	0	0	0	111.4	R22 V23 W24 L30	R22-S26 WeakPolarHBondContact O-CB 3.36Å; R22-S26 PolarHBondContact O-N 3.48Å; V23-S26 WeakPolarHBondContact O-CB 3.31Å; V23-S26 PolarHBondContact O-N 3.42Å; W24-S26 VanDerWaalsContact C-N 3.35Å; W24-S26 PolarHBondContact O-N 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.07Å; S26-L30 PolarHBondContact O-N 3.46Å
27	I	75.1	Confident	75.6	Confident	40 Å²	40	46 Å²	46	21%	0.205	24%	0.242	C	C	.	.	I	π-helix	trans	-66	-52.1	179.2	-67.7	169	0	0	0	111.6	V23 W24 L25 F31 R32 V196 L200	V23-I27 HydrophobicContact CG1-CD1 3.82Å; V23-I27 WeakPolarHBondContact O-CG1 3.43Å; V23-I27 PolarHBondContact O-N 3.08Å; W24-I27 PolarHBondContact O-N 3.22Å; L25-I27 VanDerWaalsContact C-N 3.35Å; L25-I27 PolarHBondContact O-N 2.87Å; I27-F31 WeakPolarHBondContact O-CB 3.1Å; I27-F31 PolarHBondContact O-N 3.07Å; I27-R32 PolarHBondContact O-N 3.35Å; I27-V196 HydrophobicContact CD1-CG1 4.48Å; I27-L200 HydrophobicContact CD1-CD1 3.7Å
28	V	72.2	Confident	76.7	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.024	25%	0.254	C	S	.	.	I	π-helix	trans	-66.9	-42.5	-177.7	172.3	0	0	0	0	111.3	W24 R32 I33 C197	W24-V28 HydrophobicContact CD2-CG2 3.89Å; W24-V28 HydrophobicContact CE3-CG2 4.32Å; W24-V28 HydrophobicContact CG-CG2 4.39Å; W24-V28 HydrophobicContact CH2-CB 4.45Å; W24-V28 HydrophobicContact CH2-CG1 4.26Å; W24-V28 HydrophobicContact CH2-CG2 4.15Å; W24-V28 HydrophobicContact CZ2-CG2 3.74Å; W24-V28 HydrophobicContact CZ3-CB 4.48Å; W24-V28 HydrophobicContact CZ3-CG2 4.43Å; W24-V28 WeakPolarHBondContact O-CB 3.39Å; W24-V28 WeakPolarHBondContact O-CG2 3.42Å; W24-V28 PolarHBondContact O-N 3.48Å; V28-R32 WeakPolarHBondContact O-CB 3.43Å; V28-R32 PolarHBondContact O-N 3.11Å; V28-I33 PolarHBondContact O-N 2.83Å; V28-C197 WeakPolarHBondContact CG2-SG 3.48Å
29	F	67	Low	77.7	Confident	28 Å²	28	46.8 Å²	46.8	12%	0.123	25%	0.245	C	C	.	.	I	π-helix	trans	-82	-44.8	-172.5	-166.6	-83.8	0	0	0	112.7	L6 L10 L25 I33	L6-F29 HydrophobicContact CB-CE1 4.09Å; L6-F29 HydrophobicContact CB-CZ 3.55Å; L6-F29 HydrophobicContact CD2-CE1 3.56Å; L6-F29 HydrophobicContact CD2-CE2 3.57Å; L6-F29 HydrophobicContact CD2-CZ 3.02Å; L6-F29 HydrophobicContact CG-CE1 4.39Å; L6-F29 HydrophobicContact CG-CE2 4.41Å; L6-F29 HydrophobicContact CG-CZ 3.7Å; L6-F29 WeakPolarHBondContact O-CZ 3.29Å; L10-F29 HydrophobicContact CD1-CD1 3.35Å; L10-F29 HydrophobicContact CD1-CE1 3.06Å; L10-F29 HydrophobicContact CD1-CE2 4.47Å; L10-F29 HydrophobicContact CD1-CG 4.16Å; L10-F29 HydrophobicContact CD1-CZ 3.65Å; L10-F29 HydrophobicContact CD2-CB 3.9Å; L10-F29 HydrophobicContact CD2-CD1 3.61Å; L10-F29 HydrophobicContact CD2-CD2 3.75Å; L10-F29 HydrophobicContact CD2-CE1 3.89Å; L10-F29 HydrophobicContact CD2-CE2 4Å; L10-F29 HydrophobicContact CD2-CG 3.49Å; L10-F29 VanDerWaalsContact CD2-CG 3.49Å; L10-F29 HydrophobicContact CD2-CZ 4Å; L10-F29 HydrophobicContact CG-CD1 3.61Å; L10-F29 HydrophobicContact CG-CD2 4.08Å; L10-F29 HydrophobicContact CG-CE1 3.33Å; L10-F29 HydrophobicContact CG-CE2 3.81Å; L10-F29 HydrophobicContact CG-CG 3.93Å; L10-F29 HydrophobicContact CG-CZ 3.38Å; L25-F29 WeakPolarHBondContact O-CA 3.28Å; L25-F29 WeakPolarHBondContact O-CB 3.24Å; L25-F29 PolarHBondContact O-N 3.42Å; F29-I33 HydrophobicContact CD2-CD1 3.73Å; F29-I33 HydrophobicContact CE2-CD1 4.17Å; F29-I33 HydrophobicContact CG-CD1 4.07Å; F29-I33 WeakPolarHBondContact O-CB 3.49Å
30	L	70.2	Confident	78.6	Confident	89 Å²	89	45.4 Å²	45.4	47%	0.466	23%	0.234	S	C	.	.	I	π-helix	trans	-80.8	-46.4	-176.4	-62.8	174.8	0	0	0	111.5	S26 M34	S26-L30 WeakPolarHBondContact O-CB 3.07Å; S26-L30 PolarHBondContact O-N 3.46Å; L30-M34 WeakPolarHBondContact O-CB 3.34Å
31	F	77.7	Confident	79.4	Confident	105 Å²	105	47.9 Å²	47.9	46%	0.461	25%	0.246	S	C	.	.	I	π-helix	trans	-86.2	-46.1	-174	-69.4	-83.8	0	0	0	112	I27 V35 F189	I27-F31 WeakPolarHBondContact O-CB 3.1Å; I27-F31 PolarHBondContact O-N 3.07Å; F31-V35 VanDerWaalsContact O-CB 3.27Å; F31-V35 WeakPolarHBondContact O-CB 3.41Å; F31-V35 WeakPolarHBondContact O-CG2 3.46Å; F31-V35 PolarHBondContact O-N 3.45Å; F31-F189 HydrophobicContact CB-CZ 4.28Å; F31-F189 HydrophobicContact CD1-CZ 4.49Å
32	R	86	Confident	80.2	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.008	28%	0.275	C	S	.	.	I	π-helix	trans	-74	-44.2	-171.7	-148.5	179.4	169.5	174	1.1	113.2	I27 V28 F36 L81 D142 M190 S194	I27-R32 PolarHBondContact O-N 3.35Å; V28-R32 WeakPolarHBondContact O-CB 3.43Å; V28-R32 PolarHBondContact O-N 3.11Å; R32-F36 WeakPolarHBondContact O-CB 3.29Å; R32-F36 PolarHBondContact O-N 2.82Å; R32-L81 HydrophobicContact CB-CD2 4.22Å; R32-L81 HydrophobicContact CG-CD2 3.87Å; R32-D142 IonicContact CZ-OD1 3.96Å; R32-D142 IonicContact NH1-OD1 3.04Å; R32-D142 PolarHBondContact NH1-OD1 3.34Å; R32-D142 IonicContact NH1-OD2 3.08Å; R32-D142 IonicContact NH2-OD1 3.78Å; R32-D142 PolarHBondContact NH2-OD1 2.88Å; R32-M190 HydrophobicContact CG-CE 3.87Å; R32-M190 HydrophobicContact CG-SD 3.86Å; R32-S194 PolarHBondContact NH2-OG 3.18Å
33	I	85.3	Confident	80.8	Confident	33 Å²	33	49.7 Å²	49.7	17%	0.169	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-43.1	176.5	-60.1	176.6	0	0	0	110.4	L6 V28 F29 F36 V37	L6-I33 HydrophobicContact CD2-CD1 4.48Å; V28-I33 PolarHBondContact O-N 2.83Å; F29-I33 HydrophobicContact CD2-CD1 3.73Å; F29-I33 HydrophobicContact CE2-CD1 4.17Å; F29-I33 HydrophobicContact CG-CD1 4.07Å; F29-I33 WeakPolarHBondContact O-CB 3.49Å; I33-F36 PolarHBondContact O-N 3.02Å; I33-V37 HydrophobicContact CG2-CG2 4.36Å; I33-V37 VanDerWaalsContact O-CG2 3.31Å; I33-V37 WeakPolarHBondContact O-CG2 3.18Å; I33-V37 PolarHBondContact O-N 3.23Å
34	M	84.5	Confident	81.4	Confident	94 Å²	94	47 Å²	47	46%	0.463	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-49.7	178.1	-176.3	-176	79.4	0	0	111.4	L30 F36 V37 V38	L30-M34 WeakPolarHBondContact O-CB 3.34Å; M34-F36 VanDerWaalsContact C-N 3.33Å; M34-F36 PolarHBondContact O-N 3.06Å; M34-V37 PolarHBondContact O-N 3.21Å; M34-V38 WeakPolarHBondContact O-CG2 3.26Å; M34-V38 PolarHBondContact O-N 2.94Å
35	V	86.7	Confident	81.9	Confident	17 Å²	17	48.9 Å²	48.9	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-41.2	179	170.6	0	0	0	0	111.1	F31 V37 V38 A39 F186 F189 M190	F31-V35 VanDerWaalsContact O-CB 3.27Å; F31-V35 WeakPolarHBondContact O-CB 3.41Å; F31-V35 WeakPolarHBondContact O-CG2 3.46Å; F31-V35 PolarHBondContact O-N 3.45Å; V35-V37 PolarHBondContact O-N 3.47Å; V35-V38 PolarHBondContact O-N 3.49Å; V35-A39 WeakPolarHBondContact O-CB 3.22Å; V35-A39 PolarHBondContact O-N 2.89Å; V35-F186 HydrophobicContact CG1-CD1 3.71Å; V35-F186 HydrophobicContact CG1-CE1 4.1Å; V35-F189 HydrophobicContact CB-CD1 4.17Å; V35-F189 HydrophobicContact CB-CE1 3.97Å; V35-F189 HydrophobicContact CG1-CD1 3.79Å; V35-F189 HydrophobicContact CG1-CE1 4.12Å; V35-F189 HydrophobicContact CG2-CD1 3.98Å; V35-F189 HydrophobicContact CG2-CE1 3.51Å; V35-F189 HydrophobicContact CG2-CZ 4.07Å; V35-M190 HydrophobicContact CG1-SD 4.24Å
36	F	89.8	Confident	82.6	Confident	39 Å²	39	51.7 Å²	51.7	17%	0.171	28%	0.277	C	S	.	.	H	α-helix	trans	-56.2	-48.5	174	169.9	-98.3	0	0	0	112.3	R32 I33 M34 A39 A40 V74 W77 A78 L81	R32-F36 WeakPolarHBondContact O-CB 3.29Å; R32-F36 PolarHBondContact O-N 2.82Å; I33-F36 PolarHBondContact O-N 3.02Å; M34-F36 VanDerWaalsContact C-N 3.33Å; M34-F36 PolarHBondContact O-N 3.06Å; F36-A39 PolarHBondContact O-N 3.22Å; F36-A40 HydrophobicContact CZ-CB 4.46Å; F36-A40 WeakPolarHBondContact O-CB 3.05Å; F36-A40 PolarHBondContact O-N 2.93Å; F36-V74 HydrophobicContact CD2-CG1 4.32Å; F36-V74 HydrophobicContact CE2-CB 4.5Å; F36-V74 HydrophobicContact CE2-CG1 3.48Å; F36-V74 VanDerWaalsContact CE2-CG1 3.48Å; F36-V74 WeakPolarHBondContact CE2-O 3.33Å; F36-V74 HydrophobicContact CZ-CG1 3.94Å; F36-W77 HydrophobicContact CD2-CB 4Å; F36-W77 HydrophobicContact CE2-CB 4.27Å; F36-A78 HydrophobicContact CE2-CB 3.84Å; F36-A78 HydrophobicContact CZ-CB 3.69Å; F36-L81 HydrophobicContact CB-CD1 3.86Å; F36-L81 HydrophobicContact CD1-CD1 4.12Å; F36-L81 HydrophobicContact CD2-CD1 4.17Å; F36-L81 HydrophobicContact CG-CD1 3.77Å
37	V	87.6	Confident	83.1	Confident	41 Å²	41	49.5 Å²	49.5	25%	0.248	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-47.3	-179.4	170.6	0	0	0	0	111.1	M1 I33 M34 V35 E41	M1-V37 HydrophobicContact CE-CG2 3.83Å; I33-V37 HydrophobicContact CG2-CG2 4.36Å; I33-V37 VanDerWaalsContact O-CG2 3.31Å; I33-V37 WeakPolarHBondContact O-CG2 3.18Å; I33-V37 PolarHBondContact O-N 3.23Å; M34-V37 PolarHBondContact O-N 3.21Å; V35-V37 PolarHBondContact O-N 3.47Å; V37-E41 PolarHBondContact O-N 3.2Å
38	V	87	Confident	83.8	Confident	70 Å²	70	52.5 Å²	52.5	42%	0.424	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-46.5	179.2	172.6	0	0	0	0	111	M34 V35 K42	M34-V38 WeakPolarHBondContact O-CG2 3.26Å; M34-V38 PolarHBondContact O-N 2.94Å; V35-V38 PolarHBondContact O-N 3.49Å; V38-K42 VanDerWaalsContact O-CB 3.3Å; V38-K42 WeakPolarHBondContact O-CB 3.27Å; V38-K42 PolarHBondContact O-N 3.5Å
39	A	86.7	Confident	84.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-48.5	179.6	0	0	0	0	0	111.8	V35 F36 E41 V43 W44 W77 F186	V35-A39 WeakPolarHBondContact O-CB 3.22Å; V35-A39 PolarHBondContact O-N 2.89Å; F36-A39 PolarHBondContact O-N 3.22Å; A39-E41 VanDerWaalsContact C-N 3.32Å; A39-E41 PolarHBondContact O-N 3.39Å; A39-V43 WeakPolarHBondContact O-CB 3.48Å; A39-V43 PolarHBondContact O-N 2.67Å; A39-W44 HydrophobicContact CB-CE3 3.91Å; A39-W44 HydrophobicContact CB-CZ3 3.73Å; A39-W44 PolarHBondContact O-N 2.94Å; A39-W77 HydrophobicContact CB-CZ3 4.45Å; A39-F186 HydrophobicContact CB-CD1 4Å; A39-F186 HydrophobicContact CB-CE1 4.39Å; A39-F186 HydrophobicContact CB-CG 4.19Å
40	A	86.8	Confident	85.7	Confident	25 Å²	25	60.5 Å²	60.5	21%	0.207	31%	0.312	C	S	.	.	H	α-helix	trans	-55.4	-46.3	-177	0	0	0	0	0	112	F36 G45 V74	F36-A40 HydrophobicContact CZ-CB 4.46Å; F36-A40 WeakPolarHBondContact O-CB 3.05Å; F36-A40 PolarHBondContact O-N 2.93Å; A40-G45 PolarHBondContact O-N 2.92Å; A40-V74 HydrophobicContact CB-CG1 3.51Å
41	E	83.2	Confident	86.8	Confident	140 Å²	140	56.4 Å²	56.4	65%	0.654	29%	0.29	S	S	*	.	H	α-helix	trans	-80.2	-45.9	-178.2	-66.2	-176.4	175.7	0	0	112.6	V37 A39	V37-E41 PolarHBondContact O-N 3.2Å; A39-E41 VanDerWaalsContact C-N 3.32Å; A39-E41 PolarHBondContact O-N 3.39Å
42	K	85.5	Confident	87.6	Confident	147 Å²	147	57.3 Å²	57.3	64%	0.639	29%	0.294	S	S	*	.	H	α-helix	trans	-88.4	-29.4	-168.1	-64.6	-62.3	-174.1	179.8	0	114.8	V38	V38-K42 VanDerWaalsContact O-CB 3.3Å; V38-K42 WeakPolarHBondContact O-CB 3.27Å; V38-K42 PolarHBondContact O-N 3.5Å
43	V	87.2	Confident	88.1	Confident	8 Å²	8	58.2 Å²	58.2	5%	0.048	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-37.7	-169.9	-179.9	0	0	0	0	111.4	A39 E182 K183 F186	A39-V43 WeakPolarHBondContact O-CB 3.48Å; A39-V43 PolarHBondContact O-N 2.67Å; V43-E182 HydrophobicContact CG1-CB 4.29Å; V43-K183 HydrophobicContact CG1-CG 3.55Å; V43-F186 HydrophobicContact CG1-CD2 4.42Å; V43-F186 HydrophobicContact CG2-CD2 3.78Å; V43-F186 HydrophobicContact CG2-CE2 3.49Å; V43-F186 VanDerWaalsContact CG2-CE2 3.49Å; V43-F186 HydrophobicContact CG2-CZ 4.31Å
44	W	88.4	Confident	88.6	Confident	17 Å²	17	62.6 Å²	62.6	6%	0.064	32%	0.324	C	S	.	.	S	Bend	trans	-104.3	-8.1	-178.4	-80.7	-92.5	0	0	0	114.2	A39 D46 E47 H73 V74 W77 F158 K183 F186	A39-W44 HydrophobicContact CB-CE3 3.91Å; A39-W44 HydrophobicContact CB-CZ3 3.73Å; A39-W44 PolarHBondContact O-N 2.94Å; W44-D46 PolarHBondContact O-N 3.49Å; W44-E47 WeakPolarHBondContact O-CB 3.47Å; W44-E47 PolarHBondContact O-N 3.49Å; W44-H73 HydrophobicContact CZ2-CB 4.14Å; W44-V74 HydrophobicContact CB-CB 4.48Å; W44-V74 HydrophobicContact CB-CG2 3.52Å; W44-V74 HydrophobicContact CD2-CG2 3.46Å; W44-V74 VanDerWaalsContact CD2-CG2 3.46Å; W44-V74 HydrophobicContact CE3-CG2 3.75Å; W44-V74 HydrophobicContact CG-CB 4.47Å; W44-V74 HydrophobicContact CG-CG2 3.32Å; W44-W77 HydrophobicContact CE3-CZ3 4.29Å; W44-W77 AromaticContact CH2-CH2 3.42Å; W44-W77 HydrophobicContact CH2-CH2 3.42Å; W44-W77 VanDerWaalsContact CH2-CH2 3.42Å; W44-W77 AromaticContact CH2-CZ3 3.71Å; W44-W77 HydrophobicContact CH2-CZ3 3.71Å; W44-W77 AromaticContact CZ2-CH2 3.75Å; W44-W77 HydrophobicContact CZ2-CH2 3.75Å; W44-W77 HydrophobicContact CZ2-CZ3 4.13Å; W44-W77 HydrophobicContact CZ3-CH2 4.01Å; W44-W77 AromaticContact CZ3-CZ3 3.8Å; W44-W77 HydrophobicContact CZ3-CZ3 3.8Å; W44-F158 HydrophobicContact CZ2-CZ 4.42Å; W44-K183 HydrophobicContact CD2-CG 4.5Å; W44-K183 HydrophobicContact CH2-CB 3.96Å; W44-K183 HydrophobicContact CH2-CG 3.99Å; W44-K183 HydrophobicContact CZ2-CB 3.71Å; W44-K183 HydrophobicContact CZ2-CD 4.29Å; W44-K183 HydrophobicContact CZ2-CG 3.63Å; W44-F186 HydrophobicContact CH2-CB 3.74Å; W44-F186 HydrophobicContact CZ3-CB 3.76Å; W44-F186 HydrophobicContact CZ3-CD2 4.3Å; W44-F186 HydrophobicContact CZ3-CG 4.2Å
45	G	85.3	Confident	89.1	Confident	52 Å²	52	60.2 Å²	60.2	54%	0.536	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-40	-178	0	0	0	0	0	114.1	A40	A40-G45 PolarHBondContact O-N 2.92Å
46	D	86.4	Confident	89.4	Confident	82 Å²	82	64.3 Å²	64.3	44%	0.439	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	15.9	-179.6	-67.7	-59	0	0	0	113	W44 Q48 K49 D50	W44-D46 PolarHBondContact O-N 3.49Å; D46-Q48 PolarHBondContact O-N 2.98Å; D46-K49 PolarHBondContact O-N 3.21Å; D46-K49 VanDerWaalsContact O-N 3.1Å; D46-D50 PolarHBondContact O-N 3.31Å
47	E	87.4	Confident	89.6	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.028	36%	0.361	C	S	.	.	H	α-helix	trans	-55.9	-45.7	-171	170.5	171.2	-123.9	0	0	113.2	W44 F51 Y65 K183	W44-E47 WeakPolarHBondContact O-CB 3.47Å; W44-E47 PolarHBondContact O-N 3.49Å; E47-F51 WeakPolarHBondContact O-CB 3.39Å; E47-F51 PolarHBondContact O-N 3.35Å; E47-F51 VanDerWaalsContact O-N 3.16Å; E47-Y65 HydrophobicContact CG-CE2 3.79Å; E47-Y65 WeakPolarHBondContact CG-OH 3.31Å; E47-Y65 PolarHBondContact OE2-OH 3.2Å; E47-K183 VanDerWaalsContact CG-NZ 3.34Å; E47-K183 IonicContact OE1-NZ 2.99Å; E47-K183 PolarHBondContact OE1-NZ 2.56Å
48	Q	88.2	Confident	90	Very high	103 Å²	103	69.3 Å²	69.3	48%	0.481	38%	0.38	S	S	.	.	H	α-helix	trans	-72.9	-31	-179.7	-172.3	175.1	3	0	0	112.9	D46 H61 Y65	D46-Q48 PolarHBondContact O-N 2.98Å; Q48-H61 PolarHBondContact O-NE2 2.93Å; Q48-H61 VanDerWaalsContact O-NE2 3.11Å; Q48-Y65 HydrophobicContact CB-CD1 4.49Å; Q48-Y65 HydrophobicContact CB-CE1 4.04Å; Q48-Y65 HydrophobicContact CB-CE2 4.12Å; Q48-Y65 HydrophobicContact CG-CD1 3.94Å; Q48-Y65 HydrophobicContact CG-CD2 4.43Å; Q48-Y65 HydrophobicContact CG-CE1 3.93Å; Q48-Y65 HydrophobicContact CG-CE2 4.43Å; Q48-Y65 HydrophobicContact CG-CG 4.19Å
49	K	88.9	Confident	90.3	Very high	143 Å²	143	67.7 Å²	67.7	62%	0.622	38%	0.378	S	S	*	.	H	α-helix	trans	-75.5	-40.3	-177.2	-179.2	-174.1	172.6	-169.1	0	112	D46 K52	D46-K49 PolarHBondContact O-N 3.21Å; D46-K49 VanDerWaalsContact O-N 3.1Å; K49-K52 PolarHBondContact O-NZ 3.1Å; K49-K52 VanDerWaalsContact O-NZ 3.11Å
50	D	91.4	Very high	90.7	Very high	58 Å²	58	67.7 Å²	67.7	31%	0.31	38%	0.378	S	S	.	.	H	α-helix	trans	-92.2	-6.4	-177.4	-69.1	-12.4	0	0	0	113.3	D46 K52 S178	D46-D50 PolarHBondContact O-N 3.31Å; D50-K52 PolarHBondContact O-N 3.27Å; D50-S178 VanDerWaalsContact CB-CB 3.47Å; D50-S178 WeakPolarHBondContact CB-OG 3.27Å
51	F	93.1	Very high	91.1	Very high	3 Å²	3	68.8 Å²	68.8	1%	0.013	38%	0.378	C	S	.	.			trans	-57.8	136.9	160.1	-170.4	-120.3	0	0	0	107.7	E47 H61 C64 Y65 F69 I162 C175 F176 I177	E47-F51 WeakPolarHBondContact O-CB 3.39Å; E47-F51 PolarHBondContact O-N 3.35Å; E47-F51 VanDerWaalsContact O-N 3.16Å; F51-H61 AromaticContact CD1-CE1 3.18Å; F51-H61 WeakPolarHBondContact CD1-CE1 3.2Å; F51-H61 AromaticContact CD1-ND1 3.72Å; F51-H61 AromaticContact CD1-NE2 3.81Å; F51-H61 AromaticContact CG-CE1 3.72Å; F51-H61 PolarHBondContact O-CE1 2.97Å; F51-C64 HydrophobicContact CE1-CB 4.07Å; F51-C64 HydrophobicContact CZ-CB 4.37Å; F51-Y65 HydrophobicContact CB-CD2 4.07Å; F51-Y65 AromaticContact CD1-CD2 3.82Å; F51-Y65 HydrophobicContact CD1-CD2 3.82Å; F51-Y65 HydrophobicContact CD1-CG 4.27Å; F51-Y65 HydrophobicContact CE1-CD2 4.43Å; F51-Y65 AromaticContact CG-CD2 3.9Å; F51-Y65 HydrophobicContact CG-CD2 3.9Å; F51-F69 HydrophobicContact CE2-CE2 4.43Å; F51-I162 HydrophobicContact CE2-CD1 3.76Å; F51-I162 HydrophobicContact CE2-CG1 4.28Å; F51-I162 HydrophobicContact CZ-CD1 3.75Å; F51-I162 HydrophobicContact CZ-CG1 4.5Å; F51-C175 HydrophobicContact CE1-CB 4.09Å; F51-C175 HydrophobicContact CE2-CB 3.74Å; F51-C175 HydrophobicContact CZ-CB 3.35Å; F51-F176 VanDerWaalsContact CD2-O 3.27Å; F51-F176 WeakPolarHBondContact CD2-O 3.41Å; F51-I177 HydrophobicContact CD2-CG1 4.31Å; F51-I177 HydrophobicContact CE2-CG1 4.07Å
52	K	94.8	Very high	91.6	Very high	124 Å²	124	66.5 Å²	66.5	54%	0.539	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	126	178	-65.9	-64.6	171.9	-155.4	0	111	K49 D50 C175 F176	K49-K52 PolarHBondContact O-NZ 3.1Å; K49-K52 VanDerWaalsContact O-NZ 3.11Å; D50-K52 PolarHBondContact O-N 3.27Å; K52-C175 CarbonylContact O-C 3.48Å; K52-C175 VanDerWaalsContact O-CA 3.28Å; K52-C175 WeakPolarHBondContact O-CA 3.45Å; K52-F176 PolarHBondContact N-O 2.91Å; K52-F176 PolarHBondContact O-N 3.21Å
53	C	95.8	Very high	92.1	Very high	21 Å²	21	61.9 Å²	61.9	14%	0.142	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140	171.2	-62.3	0	0	0	0	111	T55 V173 D174 C175	C53-T55 HydrophobicContact CB-CG2 3.95Å; C53-T55 PolarHBondContact O-N 3.11Å; C53-V173 HydrophobicContact CB-CG2 4.5Å; C53-D174 CarbonylContact C-O 3.5Å; C53-D174 WeakPolarHBondContact CA-O 3.27Å; C53-C175 HydrophobicContact CB-CB 4.07Å; C53-C175 WeakPolarHBondContact CB-SG 3.46Å; C53-C175 WeakPolarHBondContact SG-CB 3.28Å; C53-C175 CovalentContact SG-SG 2.05Å; C53-C175 PolarHBondContact SG-SG 3.4Å
54	N	95.7	Very high	92.5	Very high	124 Å²	124	61.5 Å²	61.5	66%	0.663	35%	0.352	S	S	*	.	S	Bend	trans	-77.1	70.7	176.4	-172.8	12.9	0	0	0	111	D174	N54-D174 PolarHBondContact N-O 3.16Å
55	T	94.6	Very high	92.7	Very high	44 Å²	44	62.1 Å²	62.1	27%	0.27	36%	0.355	S	S	.	.			trans	-160.2	146.1	179.4	-176.9	0	0	0	0	111	C53 Q57 C60 V173	C53-T55 HydrophobicContact CB-CG2 3.95Å; C53-T55 PolarHBondContact O-N 3.11Å; T55-Q57 VanDerWaalsContact C-N 3.35Å; T55-Q57 WeakPolarHBondContact OG1-CB 3.49Å; T55-Q57 PolarHBondContact OG1-N 3.45Å; T55-Q57 VanDerWaalsContact OG1-N 3.13Å; T55-C60 HydrophobicContact CG2-CB 3.96Å; T55-V173 HydrophobicContact CG2-CG1 4.26Å
56	A	93.9	Very high	93.1	Very high	104 Å²	104	64.8 Å²	64.8	86%	0.86	36%	0.357	S	S	*	.			trans	-90.7	-0.9	171.4	0	0	0	0	0	112.7	P58	A56-P58 WeakPolarHBondContact O-CD 3.13Å
57	Q	94.2	Very high	93.5	Very high	84 Å²	84	65.6 Å²	65.6	39%	0.393	36%	0.358	S	S	.	.			trans	-69.8	122	-176	-176.6	63.6	24.9	0	0	111.2	T55 C60 P168	T55-Q57 VanDerWaalsContact C-N 3.35Å; T55-Q57 WeakPolarHBondContact OG1-CB 3.49Å; T55-Q57 PolarHBondContact OG1-N 3.45Å; T55-Q57 VanDerWaalsContact OG1-N 3.13Å; Q57-C60 HydrophobicContact CB-CB 4.16Å; Q57-C60 HydrophobicContact CG-CB 4.3Å; Q57-P168 VanDerWaalsContact CG-O 3.31Å; Q57-P168 WeakPolarHBondContact CG-O 3.41Å
58	P	95.1	Very high	93.6	Very high	101 Å²	101	68.5 Å²	68.5	66%	0.656	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	141.2	177.2	26.4	-34.5	0	0	0	111.1	A56 C60	A56-P58 WeakPolarHBondContact O-CD 3.13Å; P58-C60 PolarHBondContact O-N 3.38Å
59	G	93.8	Very high	93.8	Very high	36 Å²	36	64.3 Å²	64.3	37%	0.371	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-23.7	178.2	0	0	0	0	0	115.5	H61 N62 V63	G59-H61 VanDerWaalsContact C-N 3.27Å; G59-H61 PolarHBondContact O-N 2.9Å; G59-N62 PolarHBondContact O-N 3.39Å; G59-N62 VanDerWaalsContact O-N 3.08Å; G59-V63 PolarHBondContact O-N 3Å
60	C	95.3	Very high	93.8	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57.3	-40.7	178.9	177.7	0	0	0	0	112.1	T55 Q57 P58 N62 V63 C64 C169	T55-C60 HydrophobicContact CG2-CB 3.96Å; Q57-C60 HydrophobicContact CB-CB 4.16Å; Q57-C60 HydrophobicContact CG-CB 4.3Å; P58-C60 PolarHBondContact O-N 3.38Å; C60-N62 VanDerWaalsContact C-N 3.32Å; C60-N62 PolarHBondContact O-N 2.73Å; C60-V63 VanDerWaalsContact O-CG2 3.24Å; C60-V63 WeakPolarHBondContact O-CG2 3.4Å; C60-V63 PolarHBondContact O-N 3.28Å; C60-C64 WeakPolarHBondContact O-CB 3.37Å; C60-C64 PolarHBondContact O-N 3.41Å; C60-C64 PolarHBondContact O-SG 2.94Å; C60-C169 VanDerWaalsContact CA-SG 3.56Å; C60-C169 HydrophobicContact CB-CB 4.1Å; C60-C169 WeakPolarHBondContact CB-SG 3.43Å; C60-C169 WeakPolarHBondContact SG-CB 3.39Å; C60-C169 CovalentContact SG-SG 2.03Å; C60-C169 PolarHBondContact SG-SG 3.2Å
61	H	93.9	Very high	93.8	Very high	47 Å²	47	60.8 Å²	60.8	22%	0.218	34%	0.344	C	S	.	.	H	α-helix	trans	-54.1	-45.8	174.8	-173.4	68.7	0	0	0	113.4	Q48 F51 G59 Y65	Q48-H61 PolarHBondContact O-NE2 2.93Å; Q48-H61 VanDerWaalsContact O-NE2 3.11Å; F51-H61 AromaticContact CD1-CE1 3.18Å; F51-H61 WeakPolarHBondContact CD1-CE1 3.2Å; F51-H61 AromaticContact CD1-ND1 3.72Å; F51-H61 AromaticContact CD1-NE2 3.81Å; F51-H61 AromaticContact CG-CE1 3.72Å; F51-H61 PolarHBondContact O-CE1 2.97Å; G59-H61 VanDerWaalsContact C-N 3.27Å; G59-H61 PolarHBondContact O-N 2.9Å; H61-Y65 WeakPolarHBondContact O-CB 3.34Å; H61-Y65 PolarHBondContact O-N 3.49Å; H61-Y65 VanDerWaalsContact O-N 3.07Å
62	N	94.4	Very high	93.6	Very high	93 Å²	93	61.3 Å²	61.3	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-72.4	-43	-174.3	-68.7	-5.9	0	0	0	111.7	G59 C60 Y65 D66	G59-N62 PolarHBondContact O-N 3.39Å; G59-N62 VanDerWaalsContact O-N 3.08Å; C60-N62 VanDerWaalsContact C-N 3.32Å; C60-N62 PolarHBondContact O-N 2.73Å; N62-Y65 PolarHBondContact O-N 3.29Å; N62-D66 WeakPolarHBondContact O-CB 3.46Å; N62-D66 PolarHBondContact O-N 2.74Å
63	V	95.6	Very high	93.4	Very high	49 Å²	49	55.5 Å²	55.5	30%	0.297	32%	0.323	S	S	.	.	H	α-helix	trans	-69.3	-39	-179.6	-61	0	0	0	0	111.7	G59 C60 Y65 D66 H67 E166 V167	G59-V63 PolarHBondContact O-N 3Å; C60-V63 VanDerWaalsContact O-CG2 3.24Å; C60-V63 WeakPolarHBondContact O-CG2 3.4Å; C60-V63 PolarHBondContact O-N 3.28Å; V63-Y65 VanDerWaalsContact C-N 3.34Å; V63-D66 PolarHBondContact O-N 3.24Å; V63-H67 VanDerWaalsContact O-CB 3.32Å; V63-H67 WeakPolarHBondContact O-CB 3.25Å; V63-H67 PolarHBondContact O-N 3.11Å; V63-E166 HydrophobicContact CB-CB 4.5Å; V63-E166 HydrophobicContact CG2-CB 4.14Å; V63-V167 WeakPolarHBondContact CG2-O 3.39Å
64	C	95.4	Very high	93.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.1	-40.9	176	-66.6	0	0	0	0	111	F51 C60 H67 F68 C164 C169	F51-C64 HydrophobicContact CE1-CB 4.07Å; F51-C64 HydrophobicContact CZ-CB 4.37Å; C60-C64 WeakPolarHBondContact O-CB 3.37Å; C60-C64 PolarHBondContact O-N 3.41Å; C60-C64 PolarHBondContact O-SG 2.94Å; C64-H67 PolarHBondContact O-N 3.46Å; C64-F68 VanDerWaalsContact O-CD2 3.31Å; C64-F68 WeakPolarHBondContact O-CD2 3.34Å; C64-F68 PolarHBondContact O-N 3.32Å; C64-C164 WeakPolarHBondContact CA-SG 3.48Å; C64-C164 HydrophobicContact CB-CB 3.73Å; C64-C164 WeakPolarHBondContact CB-SG 3.28Å; C64-C164 WeakPolarHBondContact SG-CB 3.43Å; C64-C164 CovalentContact SG-SG 2.02Å; C64-C164 PolarHBondContact SG-SG 3Å; C64-C169 PolarHBondContact SG-SG 3.14Å
65	Y	93.8	Very high	92.9	Very high	30 Å²	30	57.2 Å²	57.2	12%	0.118	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-48.9	175.3	-178.4	-97.5	0	0	0	111.9	E47 Q48 F51 H61 N62 V63 H67 F68 F69	E47-Y65 HydrophobicContact CG-CE2 3.79Å; E47-Y65 WeakPolarHBondContact CG-OH 3.31Å; E47-Y65 PolarHBondContact OE2-OH 3.2Å; Q48-Y65 HydrophobicContact CB-CD1 4.49Å; Q48-Y65 HydrophobicContact CB-CE1 4.04Å; Q48-Y65 HydrophobicContact CB-CE2 4.12Å; Q48-Y65 HydrophobicContact CG-CD1 3.94Å; Q48-Y65 HydrophobicContact CG-CD2 4.43Å; Q48-Y65 HydrophobicContact CG-CE1 3.93Å; Q48-Y65 HydrophobicContact CG-CE2 4.43Å; Q48-Y65 HydrophobicContact CG-CG 4.19Å; F51-Y65 HydrophobicContact CB-CD2 4.07Å; F51-Y65 AromaticContact CD1-CD2 3.82Å; F51-Y65 HydrophobicContact CD1-CD2 3.82Å; F51-Y65 HydrophobicContact CD1-CG 4.27Å; F51-Y65 HydrophobicContact CE1-CD2 4.43Å; F51-Y65 AromaticContact CG-CD2 3.9Å; F51-Y65 HydrophobicContact CG-CD2 3.9Å; H61-Y65 WeakPolarHBondContact O-CB 3.34Å; H61-Y65 PolarHBondContact O-N 3.49Å; H61-Y65 VanDerWaalsContact O-N 3.07Å; N62-Y65 PolarHBondContact O-N 3.29Å; V63-Y65 VanDerWaalsContact C-N 3.34Å; Y65-H67 PolarHBondContact O-N 3.34Å; Y65-F68 PolarHBondContact O-N 3.24Å; Y65-F69 HydrophobicContact CD2-CD2 4.01Å; Y65-F69 HydrophobicContact CE2-CB 4.32Å; Y65-F69 AromaticContact CE2-CD2 3.96Å; Y65-F69 HydrophobicContact CE2-CD2 3.96Å; Y65-F69 HydrophobicContact CE2-CG 4.35Å; Y65-F69 WeakPolarHBondContact O-CA 3.34Å; Y65-F69 WeakPolarHBondContact O-CB 3.41Å; Y65-F69 PolarHBondContact O-N 3.42Å
66	D	94.2	Very high	92.8	Very high	109 Å²	109	55.8 Å²	55.8	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-38.5	-179	-167.7	67.3	0	0	0	112.5	N62 V63 F69 P70	N62-D66 WeakPolarHBondContact O-CB 3.46Å; N62-D66 PolarHBondContact O-N 2.74Å; V63-D66 PolarHBondContact O-N 3.24Å; D66-F69 CarbonylContact O-C 3.56Å; D66-P70 VanDerWaalsContact O-CA 3.24Å; D66-P70 WeakPolarHBondContact O-CA 3.49Å; D66-P70 VanDerWaalsContact O-N 3.15Å
67	H	92.9	Very high	92.7	Very high	99 Å²	99	50.8 Å²	50.8	46%	0.458	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-45.9	178.1	-177.1	89.2	0	0	0	113	V63 C64 Y65 E166	V63-H67 VanDerWaalsContact O-CB 3.32Å; V63-H67 WeakPolarHBondContact O-CB 3.25Å; V63-H67 PolarHBondContact O-N 3.11Å; C64-H67 PolarHBondContact O-N 3.46Å; Y65-H67 PolarHBondContact O-N 3.34Å; H67-E166 HydrophobicContact CB-CG 4.02Å; H67-E166 IonicContact CE1-OE1 3.05Å; H67-E166 PolarHBondContact CE1-OE1 2.93Å; H67-E166 IonicContact CG-OE1 3.94Å; H67-E166 IonicContact ND1-OE1 2.73Å; H67-E166 PolarHBondContact ND1-OE1 2.98Å; H67-E166 IonicContact NE2-OE1 3.92Å
68	F	90.6	Very high	92.5	Very high	66 Å²	66	48.1 Å²	48.1	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-85	-24.1	-177.8	-76.3	-81	0	0	0	113.5	C64 Y65 P70 I162 K163 C164	C64-F68 VanDerWaalsContact O-CD2 3.31Å; C64-F68 WeakPolarHBondContact O-CD2 3.34Å; C64-F68 PolarHBondContact O-N 3.32Å; Y65-F68 PolarHBondContact O-N 3.24Å; F68-P70 VanDerWaalsContact C-CD 3.42Å; F68-I162 HydrophobicContact CB-CD1 3.78Å; F68-I162 HydrophobicContact CD1-CB 4.35Å; F68-I162 HydrophobicContact CD1-CD1 3.79Å; F68-I162 HydrophobicContact CD1-CG2 4.3Å; F68-I162 HydrophobicContact CD2-CD1 3.29Å; F68-I162 HydrophobicContact CE1-CB 4.06Å; F68-I162 HydrophobicContact CE1-CD1 4.17Å; F68-I162 HydrophobicContact CE1-CG2 4.24Å; F68-I162 HydrophobicContact CE2-CB 4.47Å; F68-I162 HydrophobicContact CE2-CD1 3.72Å; F68-I162 HydrophobicContact CG-CD1 3.32Å; F68-I162 HydrophobicContact CZ-CB 4.13Å; F68-I162 HydrophobicContact CZ-CD1 4.14Å; F68-K163 WeakPolarHBondContact CZ-O 3.49Å; F68-C164 HydrophobicContact CE2-CB 3.87Å
69	F	91.3	Very high	92.4	Very high	15 Å²	15	47.1 Å²	47.1	7%	0.066	25%	0.25	C	C	.	.			trans	-127.5	61.7	178.8	-59.2	-79.4	0	0	0	111.5	F51 Y65 D66 V71 Y153 F158 I177	F51-F69 HydrophobicContact CE2-CE2 4.43Å; Y65-F69 HydrophobicContact CD2-CD2 4.01Å; Y65-F69 HydrophobicContact CE2-CB 4.32Å; Y65-F69 AromaticContact CE2-CD2 3.96Å; Y65-F69 HydrophobicContact CE2-CD2 3.96Å; Y65-F69 HydrophobicContact CE2-CG 4.35Å; Y65-F69 WeakPolarHBondContact O-CA 3.34Å; Y65-F69 WeakPolarHBondContact O-CB 3.41Å; Y65-F69 PolarHBondContact O-N 3.42Å; D66-F69 CarbonylContact O-C 3.56Å; F69-V71 PolarHBondContact O-N 3.36Å; F69-Y153 HydrophobicContact CD1-CE1 4.38Å; F69-F158 HydrophobicContact CE1-CE1 4.34Å; F69-I177 HydrophobicContact CE2-CD1 4.14Å; F69-I177 HydrophobicContact CE2-CG1 4.05Å; F69-I177 HydrophobicContact CZ-CD1 3.69Å; F69-I177 HydrophobicContact CZ-CG1 3.91Å; F69-I177 HydrophobicContact CZ-CG2 4.16Å
70	P	90.8	Very high	92.3	Very high	73 Å²	73	45.4 Å²	45.4	47%	0.474	23%	0.232	S	C	.	.	S	Bend	trans	-61.9	-33.5	-175.7	25.1	-35.1	0	0	0	112.2	D66 F68	D66-P70 VanDerWaalsContact O-CA 3.24Å; D66-P70 WeakPolarHBondContact O-CA 3.49Å; D66-P70 VanDerWaalsContact O-N 3.15Å; F68-P70 VanDerWaalsContact C-CD 3.42Å
71	V	90.7	Very high	92.1	Very high	54 Å²	54	46.1 Å²	46.1	33%	0.327	24%	0.236	S	C	.	.	S	Bend	trans	-127.5	143.7	166.3	-173.5	0	0	0	0	106.5	F69 R75 L76 Y153	F69-V71 PolarHBondContact O-N 3.36Å; V71-R75 HydrophobicContact CG1-CB 4.03Å; V71-L76 HydrophobicContact CB-CG 4.46Å; V71-L76 HydrophobicContact CG1-CD1 4.49Å; V71-L76 HydrophobicContact CG1-CD2 3.97Å; V71-L76 HydrophobicContact CG1-CG 3.82Å; V71-Y153 PolarHBondContact O-OH 3.27Å
72	S	89.1	Confident	91.9	Very high	15 Å²	15	48.2 Å²	48.2	11%	0.105	25%	0.248	C	C	.	.			trans	-81.6	146	173.5	68.3	0	0	0	0	111.1	V74 R75 L76	S72-V74 PolarHBondContact O-N 3.02Å; S72-R75 WeakPolarHBondContact O-CB 3.45Å; S72-R75 PolarHBondContact O-N 3.29Å; S72-R75 WeakPolarHBondContact OG-CD 3.22Å; S72-R75 VanDerWaalsContact OG-CG 3.22Å; S72-R75 WeakPolarHBondContact OG-CG 3.27Å; S72-L76 PolarHBondContact O-N 3.29Å
73	H	89.3	Confident	91.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-52.9	-42.2	178.9	-72.8	78.7	0	0	0	112.4	W44 R75 L76 W77 Y153 F158	W44-H73 HydrophobicContact CZ2-CB 4.14Å; H73-R75 VanDerWaalsContact C-N 3.32Å; H73-R75 PolarHBondContact O-N 3.42Å; H73-L76 PolarHBondContact O-N 2.97Å; H73-W77 HydrophobicContact CB-CH2 4.2Å; H73-W77 HydrophobicContact CB-CZ2 4.02Å; H73-W77 VanDerWaalsContact O-CG 3.27Å; H73-W77 PolarHBondContact O-N 2.88Å; H73-Y153 AromaticContact CD2-CD2 3.82Å; H73-Y153 AromaticContact CD2-CE2 3.61Å; H73-Y153 AromaticContact CD2-CZ 3.95Å; H73-Y153 AromaticContact CE1-CD1 3.2Å; H73-Y153 WeakPolarHBondContact CE1-CD1 3.47Å; H73-Y153 AromaticContact CE1-CD2 3.62Å; H73-Y153 AromaticContact CE1-CE1 3.05Å; H73-Y153 WeakPolarHBondContact CE1-CE1 3.39Å; H73-Y153 AromaticContact CE1-CE2 3.49Å; H73-Y153 VanDerWaalsContact CE1-CE2 3.49Å; H73-Y153 WeakPolarHBondContact CE1-CE2 3.42Å; H73-Y153 AromaticContact CE1-CG 3.45Å; H73-Y153 VanDerWaalsContact CE1-CG 3.45Å; H73-Y153 AromaticContact CE1-CZ 3.17Å; H73-Y153 AromaticContact CG-CZ 3.93Å; H73-Y153 AromaticContact ND1-CE1 3.65Å; H73-Y153 AromaticContact ND1-CE2 3.94Å; H73-Y153 AromaticContact ND1-CZ 3.46Å; H73-Y153 AromaticContact NE2-CD1 3.55Å; H73-Y153 AromaticContact NE2-CD2 3.13Å; H73-Y153 WeakPolarHBondContact NE2-CD2 3.44Å; H73-Y153 AromaticContact NE2-CE1 3.68Å; H73-Y153 AromaticContact NE2-CE2 3.27Å; H73-Y153 VanDerWaalsContact NE2-CE2 3.27Å; H73-Y153 WeakPolarHBondContact NE2-CE2 3.05Å; H73-Y153 AromaticContact NE2-CG 3.24Å; H73-Y153 AromaticContact NE2-CZ 3.51Å; H73-F158 AromaticContact CD2-CZ 3.73Å; H73-F158 AromaticContact CE1-CE1 3.4Å; H73-F158 WeakPolarHBondContact CE1-CE1 3.3Å; H73-F158 AromaticContact CE1-CZ 3.15Å; H73-F158 WeakPolarHBondContact CE1-CZ 3.43Å; H73-F158 AromaticContact CG-CZ 4Å; H73-F158 AromaticContact ND1-CE1 3.88Å; H73-F158 AromaticContact ND1-CZ 3.67Å; H73-F158 AromaticContact NE2-CE1 3.9Å; H73-F158 AromaticContact NE2-CE2 3.89Å; H73-F158 AromaticContact NE2-CZ 3.17Å; H73-F158 WeakPolarHBondContact NE2-CZ 3.26Å
74	V	90.1	Very high	91.4	Very high	17 Å²	17	46.2 Å²	46.2	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-37.7	178.9	177.2	0	0	0	0	111.4	F36 A40 W44 S72 W77 A78	F36-V74 HydrophobicContact CD2-CG1 4.32Å; F36-V74 HydrophobicContact CE2-CB 4.5Å; F36-V74 HydrophobicContact CE2-CG1 3.48Å; F36-V74 VanDerWaalsContact CE2-CG1 3.48Å; F36-V74 WeakPolarHBondContact CE2-O 3.33Å; F36-V74 HydrophobicContact CZ-CG1 3.94Å; A40-V74 HydrophobicContact CB-CG1 3.51Å; W44-V74 HydrophobicContact CB-CB 4.48Å; W44-V74 HydrophobicContact CB-CG2 3.52Å; W44-V74 HydrophobicContact CD2-CG2 3.46Å; W44-V74 VanDerWaalsContact CD2-CG2 3.46Å; W44-V74 HydrophobicContact CE3-CG2 3.75Å; W44-V74 HydrophobicContact CG-CB 4.47Å; W44-V74 HydrophobicContact CG-CG2 3.32Å; S72-V74 PolarHBondContact O-N 3.02Å; V74-W77 HydrophobicContact CG2-CE3 4.2Å; V74-W77 HydrophobicContact CG2-CZ3 4.23Å; V74-W77 PolarHBondContact O-N 3.49Å; V74-A78 WeakPolarHBondContact O-CB 3.41Å; V74-A78 PolarHBondContact O-N 3.38Å
75	R	92	Very high	90.9	Very high	164 Å²	164	47.7 Å²	47.7	62%	0.619	24%	0.24	S	C	*	.	H	α-helix	trans	-65.3	-42.1	175.3	-71.6	171.4	-170.5	172.1	5.2	111.3	V71 S72 H73 A78 L79	V71-R75 HydrophobicContact CG1-CB 4.03Å; S72-R75 WeakPolarHBondContact O-CB 3.45Å; S72-R75 PolarHBondContact O-N 3.29Å; S72-R75 WeakPolarHBondContact OG-CD 3.22Å; S72-R75 VanDerWaalsContact OG-CG 3.22Å; S72-R75 WeakPolarHBondContact OG-CG 3.27Å; H73-R75 VanDerWaalsContact C-N 3.32Å; H73-R75 PolarHBondContact O-N 3.42Å; R75-A78 PolarHBondContact O-N 2.88Å; R75-L79 WeakPolarHBondContact O-CG 3.36Å; R75-L79 PolarHBondContact O-N 3.02Å
76	L	91.6	Very high	90.6	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.073	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-43.5	175.2	-68.7	173.9	0	0	0	111.5	V71 S72 H73 A78 L79 Q80 F145 L149 I152 Y153	V71-L76 HydrophobicContact CB-CG 4.46Å; V71-L76 HydrophobicContact CG1-CD1 4.49Å; V71-L76 HydrophobicContact CG1-CD2 3.97Å; V71-L76 HydrophobicContact CG1-CG 3.82Å; S72-L76 PolarHBondContact O-N 3.29Å; H73-L76 PolarHBondContact O-N 2.97Å; L76-A78 PolarHBondContact O-N 3.02Å; L76-L79 PolarHBondContact O-N 3.5Å; L76-Q80 WeakPolarHBondContact O-CB 3.17Å; L76-Q80 PolarHBondContact O-N 2.88Å; L76-F145 HydrophobicContact CB-CD1 4.47Å; L76-F145 HydrophobicContact CD2-CE1 4.32Å; L76-F145 WeakPolarHBondContact O-CD1 3.35Å; L76-F145 VanDerWaalsContact O-CE1 3.22Å; L76-F145 WeakPolarHBondContact O-CE1 3.43Å; L76-L149 HydrophobicContact CB-CD2 4.3Å; L76-L149 HydrophobicContact CD1-CD2 3.72Å; L76-I152 HydrophobicContact CD1-CD1 4.49Å; L76-Y153 HydrophobicContact CD1-CE2 3.86Å
77	W	91.8	Very high	90.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-37.5	176.1	-62.5	-22.2	0	0	0	113.1	F36 A39 W44 H73 V74 Q80 L81 F186 T187 M190	F36-W77 HydrophobicContact CD2-CB 4Å; F36-W77 HydrophobicContact CE2-CB 4.27Å; A39-W77 HydrophobicContact CB-CZ3 4.45Å; W44-W77 HydrophobicContact CE3-CZ3 4.29Å; W44-W77 AromaticContact CH2-CH2 3.42Å; W44-W77 HydrophobicContact CH2-CH2 3.42Å; W44-W77 VanDerWaalsContact CH2-CH2 3.42Å; W44-W77 AromaticContact CH2-CZ3 3.71Å; W44-W77 HydrophobicContact CH2-CZ3 3.71Å; W44-W77 AromaticContact CZ2-CH2 3.75Å; W44-W77 HydrophobicContact CZ2-CH2 3.75Å; W44-W77 HydrophobicContact CZ2-CZ3 4.13Å; W44-W77 HydrophobicContact CZ3-CH2 4.01Å; W44-W77 AromaticContact CZ3-CZ3 3.8Å; W44-W77 HydrophobicContact CZ3-CZ3 3.8Å; H73-W77 HydrophobicContact CB-CH2 4.2Å; H73-W77 HydrophobicContact CB-CZ2 4.02Å; H73-W77 VanDerWaalsContact O-CG 3.27Å; H73-W77 PolarHBondContact O-N 2.88Å; V74-W77 HydrophobicContact CG2-CE3 4.2Å; V74-W77 HydrophobicContact CG2-CZ3 4.23Å; V74-W77 PolarHBondContact O-N 3.49Å; W77-Q80 PolarHBondContact O-N 3.43Å; W77-L81 WeakPolarHBondContact O-CB 3.15Å; W77-L81 WeakPolarHBondContact O-CG 3.14Å; W77-L81 PolarHBondContact O-N 2.99Å; W77-F186 HydrophobicContact CH2-CB 4.49Å; W77-T187 WeakPolarHBondContact CH2-OG1 3.43Å; W77-T187 HydrophobicContact CZ2-CG2 4.07Å; W77-T187 WeakPolarHBondContact CZ2-OG1 3.4Å; W77-M190 HydrophobicContact CB-CE 3.87Å; W77-M190 HydrophobicContact CD2-CB 4.43Å; W77-M190 HydrophobicContact CD2-CE 4Å; W77-M190 HydrophobicContact CD2-CG 4.11Å; W77-M190 HydrophobicContact CE3-CE 4.3Å; W77-M190 HydrophobicContact CE3-CG 4.21Å; W77-M190 HydrophobicContact CG-CE 3.8Å; W77-M190 HydrophobicContact CH2-CG 4.32Å; W77-M190 HydrophobicContact CZ2-CB 4.21Å; W77-M190 HydrophobicContact CZ2-CG 4.24Å; W77-M190 HydrophobicContact CZ3-CG 4.3Å
78	A	91.6	Very high	89.7	Confident	28 Å²	28	40.9 Å²	40.9	23%	0.231	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-48.1	175.3	0	0	0	0	0	110.8	F36 V74 R75 L76 Q80 L81 I82	F36-A78 HydrophobicContact CE2-CB 3.84Å; F36-A78 HydrophobicContact CZ-CB 3.69Å; V74-A78 WeakPolarHBondContact O-CB 3.41Å; V74-A78 PolarHBondContact O-N 3.38Å; R75-A78 PolarHBondContact O-N 2.88Å; L76-A78 PolarHBondContact O-N 3.02Å; A78-Q80 VanDerWaalsContact C-N 3.35Å; A78-Q80 PolarHBondContact O-N 2.9Å; A78-L81 PolarHBondContact O-N 3.15Å; A78-I82 WeakPolarHBondContact O-CD1 3.41Å; A78-I82 VanDerWaalsContact O-CG1 3.27Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 2.91Å
79	L	92.4	Very high	89.2	Confident	79 Å²	79	41.4 Å²	41.4	41%	0.414	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-44.6	176.1	-69.4	172.1	0	0	0	111.3	R75 L76 L81 I82 F83 F145	R75-L79 WeakPolarHBondContact O-CG 3.36Å; R75-L79 PolarHBondContact O-N 3.02Å; L76-L79 PolarHBondContact O-N 3.5Å; L79-L81 PolarHBondContact O-N 3.28Å; L79-I82 PolarHBondContact O-N 3.32Å; L79-F83 HydrophobicContact CB-CD2 4.48Å; L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 3.36Å; L79-F145 HydrophobicContact CB-CE1 3.88Å; L79-F145 HydrophobicContact CB-CZ 3.7Å
80	Q	92.1	Very high	88.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-47.5	176.5	-168.6	178.1	13	0	0	111.6	L76 W77 A78 I82 F83 V84 D142 F145 S194	L76-Q80 WeakPolarHBondContact O-CB 3.17Å; L76-Q80 PolarHBondContact O-N 2.88Å; W77-Q80 PolarHBondContact O-N 3.43Å; A78-Q80 VanDerWaalsContact C-N 3.35Å; A78-Q80 PolarHBondContact O-N 2.9Å; Q80-I82 PolarHBondContact O-N 3.46Å; Q80-F83 PolarHBondContact O-N 3.37Å; Q80-V84 WeakPolarHBondContact O-CB 3.48Å; Q80-V84 VanDerWaalsContact O-CG2 3.24Å; Q80-V84 WeakPolarHBondContact O-CG2 3.33Å; Q80-V84 PolarHBondContact O-N 3.03Å; Q80-D142 PolarHBondContact NE2-OD1 3.31Å; Q80-F145 HydrophobicContact CB-CB 4.14Å; Q80-F145 HydrophobicContact CB-CD1 3.76Å; Q80-F145 HydrophobicContact CB-CD2 3.9Å; Q80-F145 HydrophobicContact CB-CE1 4.09Å; Q80-F145 HydrophobicContact CB-CE2 4.23Å; Q80-F145 HydrophobicContact CB-CG 3.65Å; Q80-F145 HydrophobicContact CB-CZ 4.32Å; Q80-F145 HydrophobicContact CG-CB 3.68Å; Q80-F145 HydrophobicContact CG-CD1 4.26Å; Q80-F145 HydrophobicContact CG-CD2 3.8Å; Q80-F145 HydrophobicContact CG-CG 3.65Å; Q80-S194 PolarHBondContact NE2-OG 3.32Å
81	L	89.8	Confident	88.4	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-43.1	177.2	-76	175	0	0	0	111.8	R32 F36 W77 A78 L79 V84 T85	R32-L81 HydrophobicContact CB-CD2 4.22Å; R32-L81 HydrophobicContact CG-CD2 3.87Å; F36-L81 HydrophobicContact CB-CD1 3.86Å; F36-L81 HydrophobicContact CD1-CD1 4.12Å; F36-L81 HydrophobicContact CD2-CD1 4.17Å; F36-L81 HydrophobicContact CG-CD1 3.77Å; W77-L81 WeakPolarHBondContact O-CB 3.15Å; W77-L81 WeakPolarHBondContact O-CG 3.14Å; W77-L81 PolarHBondContact O-N 2.99Å; A78-L81 PolarHBondContact O-N 3.15Å; L79-L81 PolarHBondContact O-N 3.28Å; L81-V84 PolarHBondContact O-N 3.49Å; L81-T85 VanDerWaalsContact O-CB 3.26Å; L81-T85 WeakPolarHBondContact O-CB 3.43Å; L81-T85 WeakPolarHBondContact O-CG2 3.39Å; L81-T85 PolarHBondContact O-N 2.9Å; L81-T85 PolarHBondContact O-OG1 3.47Å
82	I	89.9	Confident	87.8	Confident	91 Å²	91	42.3 Å²	42.3	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-61.7	-52.3	177.4	-69.3	163.4	0	0	0	110.5	A78 L79 Q80 V84 T85 C86	A78-I82 WeakPolarHBondContact O-CD1 3.41Å; A78-I82 VanDerWaalsContact O-CG1 3.27Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 2.91Å; L79-I82 PolarHBondContact O-N 3.32Å; Q80-I82 PolarHBondContact O-N 3.46Å; I82-V84 VanDerWaalsContact C-N 3.27Å; I82-V84 PolarHBondContact O-N 3.33Å; I82-T85 PolarHBondContact O-N 3.36Å; I82-T85 PolarHBondContact O-OG1 2.9Å; I82-C86 WeakPolarHBondContact O-CB 3.42Å; I82-C86 PolarHBondContact O-N 3.48Å
83	F	91.4	Very high	87.4	Confident	99 Å²	99	47.9 Å²	47.9	43%	0.434	25%	0.245	S	C	.	.	H	α-helix	trans	-65.6	-28.7	-178.2	-78.2	-64.9	0	0	0	113.3	L79 Q80 P87 F137 V141 F145	L79-F83 HydrophobicContact CB-CD2 4.48Å; L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 3.36Å; Q80-F83 PolarHBondContact O-N 3.37Å; F83-P87 WeakPolarHBondContact O-CD 3.28Å; F83-P87 WeakPolarHBondContact O-CG 3.45Å; F83-F137 HydrophobicContact CD1-CZ 4.4Å; F83-V141 HydrophobicContact CB-CG1 3.6Å; F83-V141 HydrophobicContact CB-CG2 4.11Å; F83-F145 HydrophobicContact CD2-CE2 4.09Å; F83-F145 HydrophobicContact CD2-CZ 4.16Å
84	V	88.9	Confident	87.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-80.6	-34.6	176	169.6	0	0	0	0	112.2	W24 Q80 L81 I82 S88 V141	W24-V84 HydrophobicContact CH2-CG1 3.62Å; W24-V84 HydrophobicContact CZ2-CG1 3.39Å; Q80-V84 WeakPolarHBondContact O-CB 3.48Å; Q80-V84 VanDerWaalsContact O-CG2 3.24Å; Q80-V84 WeakPolarHBondContact O-CG2 3.33Å; Q80-V84 PolarHBondContact O-N 3.03Å; L81-V84 PolarHBondContact O-N 3.49Å; I82-V84 VanDerWaalsContact C-N 3.27Å; I82-V84 PolarHBondContact O-N 3.33Å; V84-S88 PolarHBondContact O-OG 2.87Å; V84-S88 VanDerWaalsContact O-OG 3.12Å; V84-V141 HydrophobicContact CG2-CB 4.35Å; V84-V141 HydrophobicContact CG2-CG1 3.74Å
85	T	84.8	Confident	86.5	Confident	32 Å²	32	51.3 Å²	51.3	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-81.8	-41.1	-177.7	55	0	0	0	0	112.9	L81 I82 S88 F89	L81-T85 VanDerWaalsContact O-CB 3.26Å; L81-T85 WeakPolarHBondContact O-CB 3.43Å; L81-T85 WeakPolarHBondContact O-CG2 3.39Å; L81-T85 PolarHBondContact O-N 2.9Å; L81-T85 PolarHBondContact O-OG1 3.47Å; I82-T85 PolarHBondContact O-N 3.36Å; I82-T85 PolarHBondContact O-OG1 2.9Å; T85-S88 WeakPolarHBondContact O-CA 3.29Å; T85-S88 VanDerWaalsContact O-CB 3.23Å; T85-S88 WeakPolarHBondContact O-CB 3.38Å; T85-S88 PolarHBondContact O-N 2.92Å; T85-F89 VanDerWaalsContact O-CD2 3.28Å; T85-F89 WeakPolarHBondContact O-CD2 3.38Å; T85-F89 PolarHBondContact O-N 3.32Å
86	C	86.9	Confident	86	Confident	66 Å²	66	45.5 Å²	45.5	45%	0.446	25%	0.248	S	C	.	.	H	α-helix	trans	-50.5	-52	-180	-95.9	0	0	0	0	113.5	I82 S88 F89 L90	I82-C86 WeakPolarHBondContact O-CB 3.42Å; I82-C86 PolarHBondContact O-N 3.48Å; C86-S88 VanDerWaalsContact C-N 3.27Å; C86-S88 PolarHBondContact O-N 3.01Å; C86-F89 PolarHBondContact O-N 2.97Å; C86-L90 WeakPolarHBondContact O-CG 3.4Å; C86-L90 PolarHBondContact O-N 3.19Å
87	P	86.5	Confident	85.6	Confident	14 Å²	14	51 Å²	51	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-34.6	177.5	-23.5	33.3	0	0	0	113.3	F83 L90 V91 T134 F137	F83-P87 WeakPolarHBondContact O-CD 3.28Å; F83-P87 WeakPolarHBondContact O-CG 3.45Å; P87-L90 PolarHBondContact O-N 3.41Å; P87-V91 WeakPolarHBondContact O-CG2 3.18Å; P87-V91 PolarHBondContact O-N 2.88Å; P87-T134 HydrophobicContact CB-CG2 3.65Å; P87-F137 HydrophobicContact CB-CD1 4.29Å; P87-F137 HydrophobicContact CG-CD1 3.45Å; P87-F137 VanDerWaalsContact CG-CD1 3.45Å; P87-F137 HydrophobicContact CG-CE1 3.52Å
88	S	81.7	Confident	85	Confident	14 Å²	14	52.6 Å²	52.6	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-46.3	176.2	-48.8	0	0	0	0	111.1	W24 V84 T85 C86 V91 V92 K138	W24-S88 WeakPolarHBondContact CH2-OG 3.24Å; V84-S88 PolarHBondContact O-OG 2.87Å; V84-S88 VanDerWaalsContact O-OG 3.12Å; T85-S88 WeakPolarHBondContact O-CA 3.29Å; T85-S88 VanDerWaalsContact O-CB 3.23Å; T85-S88 WeakPolarHBondContact O-CB 3.38Å; T85-S88 PolarHBondContact O-N 2.92Å; C86-S88 VanDerWaalsContact C-N 3.27Å; C86-S88 PolarHBondContact O-N 3.01Å; S88-V91 PolarHBondContact O-N 2.9Å; S88-V92 VanDerWaalsContact O-CG2 3.26Å; S88-V92 WeakPolarHBondContact O-CG2 3.17Å; S88-V92 PolarHBondContact O-N 3.48Å; S88-K138 WeakPolarHBondContact OG-CE 3.26Å; S88-K138 PolarHBondContact OG-NZ 3.34Å
89	F	80.8	Confident	84.3	Confident	78 Å²	78	54.6 Å²	54.6	34%	0.342	28%	0.279	S	S	.	.	H	α-helix	trans	-65.2	-39.5	176.8	-73.4	-60.4	0	0	0	111.9	L9 V13 T85 C86 V91 V92 M93	L9-F89 HydrophobicContact CB-CE1 4.29Å; L9-F89 HydrophobicContact CD1-CE1 4.33Å; L9-F89 HydrophobicContact CD1-CZ 4.25Å; L9-F89 HydrophobicContact CD2-CE1 4.23Å; V13-F89 HydrophobicContact CG2-CD1 4.29Å; V13-F89 HydrophobicContact CG2-CE1 4.09Å; T85-F89 VanDerWaalsContact O-CD2 3.28Å; T85-F89 WeakPolarHBondContact O-CD2 3.38Å; T85-F89 PolarHBondContact O-N 3.32Å; C86-F89 PolarHBondContact O-N 2.97Å; F89-V91 VanDerWaalsContact C-N 3.35Å; F89-V91 PolarHBondContact O-N 3.36Å; F89-V92 PolarHBondContact O-N 2.92Å; F89-M93 VanDerWaalsContact O-CB 3.26Å; F89-M93 WeakPolarHBondContact O-CB 3.39Å; F89-M93 PolarHBondContact O-N 2.88Å
90	L	83.8	Confident	83.9	Confident	113 Å²	113	54 Å²	54	59%	0.592	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-41.9	176.2	-71.4	177	0	0	0	112.3	C86 P87 M93 H94	C86-L90 WeakPolarHBondContact O-CG 3.4Å; C86-L90 PolarHBondContact O-N 3.19Å; P87-L90 PolarHBondContact O-N 3.41Å; L90-M93 PolarHBondContact O-N 3.34Å; L90-H94 VanDerWaalsContact O-CB 3.23Å; L90-H94 WeakPolarHBondContact O-CB 3.34Å; L90-H94 PolarHBondContact O-N 3.42Å
91	V	81.6	Confident	83.6	Confident	19 Å²	19	60 Å²	60	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-44.2	176.5	169.7	0	0	0	0	111.3	P87 S88 F89 H94 V95 Y131 T134	P87-V91 WeakPolarHBondContact O-CG2 3.18Å; P87-V91 PolarHBondContact O-N 2.88Å; S88-V91 PolarHBondContact O-N 2.9Å; F89-V91 VanDerWaalsContact C-N 3.35Å; F89-V91 PolarHBondContact O-N 3.36Å; V91-H94 PolarHBondContact O-N 2.99Å; V91-V95 WeakPolarHBondContact O-CG2 3.3Å; V91-V95 PolarHBondContact O-N 3.19Å; V91-Y131 HydrophobicContact CG1-CD2 3.98Å; V91-Y131 HydrophobicContact CG1-CE2 4.41Å; V91-T134 HydrophobicContact CG2-CG2 3.83Å; V91-T134 WeakPolarHBondContact CG2-OG1 3.36Å
92	V	78.1	Confident	83.2	Confident	29 Å²	29	60.8 Å²	60.8	18%	0.176	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-45	179.2	174.8	0	0	0	0	110.7	V13 S88 F89 H94 V95 A96	V13-V92 HydrophobicContact CB-CG2 4.19Å; V13-V92 HydrophobicContact CG1-CG2 3.69Å; V13-V92 HydrophobicContact CG2-CB 4.41Å; V13-V92 HydrophobicContact CG2-CG1 4.11Å; V13-V92 HydrophobicContact CG2-CG2 3.91Å; S88-V92 VanDerWaalsContact O-CG2 3.26Å; S88-V92 WeakPolarHBondContact O-CG2 3.17Å; S88-V92 PolarHBondContact O-N 3.48Å; F89-V92 PolarHBondContact O-N 2.92Å; V92-H94 VanDerWaalsContact C-N 3.3Å; V92-H94 PolarHBondContact O-N 3.21Å; V92-V95 PolarHBondContact O-N 3.41Å; V92-A96 WeakPolarHBondContact O-CB 3.32Å; V92-A96 PolarHBondContact O-N 2.88Å
93	M	81.1	Confident	82.9	Confident	132 Å²	132	62.6 Å²	62.6	65%	0.65	31%	0.307	S	S	*	.	H	α-helix	trans	-60.3	-41	175.2	-176.6	-177.8	178.2	0	0	111.2	F89 L90 A96 Y97	F89-M93 VanDerWaalsContact O-CB 3.26Å; F89-M93 WeakPolarHBondContact O-CB 3.39Å; F89-M93 PolarHBondContact O-N 2.88Å; L90-M93 PolarHBondContact O-N 3.34Å; M93-A96 PolarHBondContact O-N 3.18Å; M93-Y97 WeakPolarHBondContact O-CB 3.33Å; M93-Y97 PolarHBondContact O-N 3.41Å
94	H	81.8	Confident	82.6	Confident	64 Å²	64	62.8 Å²	62.8	30%	0.296	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-38.4	176.8	176.6	-110.8	0	0	0	112.3	L90 V91 V92 R98 L127	L90-H94 VanDerWaalsContact O-CB 3.23Å; L90-H94 WeakPolarHBondContact O-CB 3.34Å; L90-H94 PolarHBondContact O-N 3.42Å; V91-H94 PolarHBondContact O-N 2.99Å; V92-H94 VanDerWaalsContact C-N 3.3Å; V92-H94 PolarHBondContact O-N 3.21Å; H94-R98 VanDerWaalsContact O-CG 3.3Å; H94-R98 WeakPolarHBondContact O-CG 3.22Å; H94-R98 PolarHBondContact O-N 3.05Å; H94-R98 VanDerWaalsContact O-N 3.1Å; H94-L127 WeakPolarHBondContact ND1-CD1 3.4Å
95	V	78.9	Confident	82.4	Confident	26 Å²	26	65.1 Å²	65.1	16%	0.158	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-51.9	173.1	172	0	0	0	0	110.5	Y16 V91 V92 Y97 R98 E99 L127	Y16-V95 HydrophobicContact CD1-CG1 3.79Å; Y16-V95 HydrophobicContact CE1-CG1 4.38Å; Y16-V95 HydrophobicContact CG-CG1 4.1Å; V91-V95 WeakPolarHBondContact O-CG2 3.3Å; V91-V95 PolarHBondContact O-N 3.19Å; V92-V95 PolarHBondContact O-N 3.41Å; V95-Y97 VanDerWaalsContact C-N 3.31Å; V95-Y97 PolarHBondContact O-N 3.13Å; V95-R98 PolarHBondContact O-N 3.38Å; V95-R98 VanDerWaalsContact O-N 3.07Å; V95-E99 PolarHBondContact O-N 2.92Å; V95-L127 HydrophobicContact CG2-CD1 4.01Å
96	A	79.9	Confident	82.3	Confident	42 Å²	42	70.2 Å²	70.2	35%	0.347	33%	0.334	S	S	.	.	H	α-helix	trans	-58.9	-41.7	179.1	0	0	0	0	0	112.3	V92 M93 R98 E99 D100	V92-A96 WeakPolarHBondContact O-CB 3.32Å; V92-A96 PolarHBondContact O-N 2.88Å; M93-A96 PolarHBondContact O-N 3.18Å; A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.91Å; A96-E99 PolarHBondContact O-N 3.23Å; A96-D100 PolarHBondContact O-N 3.39Å
97	Y	83.1	Confident	82.2	Confident	128 Å²	128	73.1 Å²	73.1	50%	0.502	34%	0.341	S	S	.	.	H	α-helix	trans	-61.6	-41.2	175.4	176.5	-98.8	0	0	0	112.1	M93 V95 R101	M93-Y97 WeakPolarHBondContact O-CB 3.33Å; M93-Y97 PolarHBondContact O-N 3.41Å; V95-Y97 VanDerWaalsContact C-N 3.31Å; V95-Y97 PolarHBondContact O-N 3.13Å; Y97-R101 HydrophobicContact CD1-CG 4.29Å; Y97-R101 HydrophobicContact CE1-CG 3.86Å; Y97-R101 HydrophobicContact CE2-CG 4.2Å; Y97-R101 WeakPolarHBondContact O-CB 3.22Å; Y97-R101 WeakPolarHBondContact O-CG 3.4Å; Y97-R101 PolarHBondContact O-N 3.32Å
98	R	79.9	Confident	82.2	Confident	34 Å²	34	80.7 Å²	80.7	13%	0.128	37%	0.372	C	S	.	.	H	α-helix	trans	-67.6	-39.2	177.9	-75.4	178.5	66.5	158.2	-8.6	112	H94 V95 A96 R101 E102 Y117	H94-R98 VanDerWaalsContact O-CG 3.3Å; H94-R98 WeakPolarHBondContact O-CG 3.22Å; H94-R98 PolarHBondContact O-N 3.05Å; H94-R98 VanDerWaalsContact O-N 3.1Å; V95-R98 PolarHBondContact O-N 3.38Å; V95-R98 VanDerWaalsContact O-N 3.07Å; A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.91Å; R98-R101 PolarHBondContact O-N 3.48Å; R98-E102 WeakPolarHBondContact O-CG 3.34Å; R98-E102 PolarHBondContact O-N 3.48Å; R98-Y117 HydrophobicContact CB-CD2 4.3Å; R98-Y117 HydrophobicContact CB-CE2 3.9Å; R98-Y117 HydrophobicContact CG-CE2 3.86Å
99	E	77.6	Confident	82.3	Confident	70 Å²	70	87.4 Å²	87.4	33%	0.327	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-44.8	176	-70.3	-179.2	169.9	0	0	112	Y16 V95 A96 R101 E102 K103	Y16-E99 VanDerWaalsContact CE1-OE1 3.26Å; Y16-E99 WeakPolarHBondContact CE1-OE1 3.37Å; Y16-E99 VanDerWaalsContact CE1-OE2 3.27Å; Y16-E99 WeakPolarHBondContact CE1-OE2 3.45Å; Y16-E99 PolarHBondContact OH-OE2 3.18Å; V95-E99 PolarHBondContact O-N 2.92Å; A96-E99 PolarHBondContact O-N 3.23Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 3.23Å; E99-E102 PolarHBondContact O-N 2.67Å; E99-E102 VanDerWaalsContact O-N 3.17Å; E99-K103 PolarHBondContact O-N 2.74Å
100	D	84.3	Confident	82.3	Confident	66 Å²	66	85.4 Å²	85.4	35%	0.353	40%	0.398	S	S	.	.	H	α-helix	trans	-60.4	-41.1	175.4	178.5	68.8	0	0	0	111.9	A96 K103 K104	A96-D100 PolarHBondContact O-N 3.39Å; D100-K103 PolarHBondContact O-N 3Å; D100-K104 WeakPolarHBondContact O-CG 3.35Å; D100-K104 PolarHBondContact O-N 3.47Å; D100-K104 IonicContact OD1-NZ 2.72Å; D100-K104 VanDerWaalsContact OD2-CE 3.26Å; D100-K104 WeakPolarHBondContact OD2-CE 3.41Å; D100-K104 IonicContact OD2-NZ 3.59Å; D100-K104 PolarHBondContact OD2-NZ 2.94Å
101	R	83.9	Confident	81.9	Confident	129 Å²	129	87.2 Å²	87.2	49%	0.487	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-40.1	174.8	-73.7	-78.7	-69.5	179.4	-2.1	112.4	Y97 R98 E99 H105	Y97-R101 HydrophobicContact CD1-CG 4.29Å; Y97-R101 HydrophobicContact CE1-CG 3.86Å; Y97-R101 HydrophobicContact CE2-CG 4.2Å; Y97-R101 WeakPolarHBondContact O-CB 3.22Å; Y97-R101 WeakPolarHBondContact O-CG 3.4Å; Y97-R101 PolarHBondContact O-N 3.32Å; R98-R101 PolarHBondContact O-N 3.48Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 3.23Å; R101-H105 WeakPolarHBondContact O-CB 3.37Å; R101-H105 PolarHBondContact O-N 3.15Å; R101-H105 VanDerWaalsContact O-N 3.09Å
102	E	81.6	Confident	81.4	Confident	31 Å²	31	94.4 Å²	94.4	15%	0.145	44%	0.441	C	S	.	.	H	α-helix	trans	-66	-42.3	174.8	-74.6	-164.2	157	0	0	111.9	R98 E99 H105 R106 Y117 T120	R98-E102 WeakPolarHBondContact O-CG 3.34Å; R98-E102 PolarHBondContact O-N 3.48Å; E99-E102 PolarHBondContact O-N 2.67Å; E99-E102 VanDerWaalsContact O-N 3.17Å; E102-H105 PolarHBondContact O-N 3.06Å; E102-R106 PolarHBondContact O-N 3.08Å; E102-Y117 HydrophobicContact CG-CD2 3.76Å; E102-Y117 HydrophobicContact CG-CE2 4.32Å; E102-Y117 VanDerWaalsContact OE1-CB 3.22Å; E102-Y117 WeakPolarHBondContact OE1-CB 3.32Å; E102-Y117 WeakPolarHBondContact OE1-CD2 3.39Å; E102-Y117 PolarHBondContact OE1-N 3.35Å; E102-T120 WeakPolarHBondContact OE2-CG2 3.44Å; E102-T120 PolarHBondContact OE2-OG1 3.41Å
103	K	83.9	Confident	81.1	Confident	129 Å²	129	95 Å²	95	56%	0.561	45%	0.446	S	S	*	.	H	α-helix	trans	-58.3	-50.8	176.7	-177	-178.8	174.6	-173.6	0	111.3	E99 D100 H105 R106 E107	E99-K103 PolarHBondContact O-N 2.74Å; D100-K103 PolarHBondContact O-N 3Å; K103-H105 VanDerWaalsContact C-N 3.27Å; K103-H105 PolarHBondContact O-N 2.81Å; K103-R106 WeakPolarHBondContact O-CB 3.32Å; K103-R106 PolarHBondContact O-N 2.82Å; K103-R106 VanDerWaalsContact O-N 3.15Å; K103-E107 WeakPolarHBondContact CE-OE1 3.39Å; K103-E107 WeakPolarHBondContact O-CG 3.38Å; K103-E107 PolarHBondContact O-N 2.9Å
104	K	86.5	Confident	80.6	Confident	103 Å²	103	98.8 Å²	98.8	45%	0.448	45%	0.453	S	S	.	.	H	α-helix	trans	-61.6	-33.3	177.2	-73.4	171.4	178.4	163.4	0	113.1	D100 K108	D100-K104 WeakPolarHBondContact O-CG 3.35Å; D100-K104 PolarHBondContact O-N 3.47Å; D100-K104 IonicContact OD1-NZ 2.72Å; D100-K104 VanDerWaalsContact OD2-CE 3.26Å; D100-K104 WeakPolarHBondContact OD2-CE 3.41Å; D100-K104 IonicContact OD2-NZ 3.59Å; D100-K104 PolarHBondContact OD2-NZ 2.94Å; K104-K108 WeakPolarHBondContact O-CG 3.38Å; K104-K108 PolarHBondContact O-N 3.07Å
105	H	83	Confident	79.9	Confident	48 Å²	48	103.3 Å²	103.3	22%	0.222	47%	0.467	C	S	.	.	H	α-helix	trans	-70.1	-42	175.4	-169.1	-100.1	0	0	0	111.7	R101 E102 K103 E107 K108 Y109 C113 I116	R101-H105 WeakPolarHBondContact O-CB 3.37Å; R101-H105 PolarHBondContact O-N 3.15Å; R101-H105 VanDerWaalsContact O-N 3.09Å; E102-H105 PolarHBondContact O-N 3.06Å; K103-H105 VanDerWaalsContact C-N 3.27Å; K103-H105 PolarHBondContact O-N 2.81Å; H105-E107 VanDerWaalsContact C-N 3.31Å; H105-E107 PolarHBondContact O-N 3.45Å; H105-K108 PolarHBondContact O-N 3.02Å; H105-Y109 AromaticContact CD2-CD2 3.52Å; H105-Y109 AromaticContact CD2-CE2 3.41Å; H105-Y109 VanDerWaalsContact CD2-CE2 3.41Å; H105-Y109 WeakPolarHBondContact CD2-CE2 3.37Å; H105-Y109 AromaticContact CE1-CD2 3.69Å; H105-Y109 AromaticContact CG-CD2 3.85Å; H105-Y109 AromaticContact ND1-CD2 3.92Å; H105-Y109 AromaticContact NE2-CD2 3.45Å; H105-Y109 WeakPolarHBondContact NE2-CD2 3.48Å; H105-Y109 AromaticContact NE2-CE2 3.37Å; H105-Y109 WeakPolarHBondContact NE2-CE2 3.39Å; H105-Y109 WeakPolarHBondContact O-CD2 3.49Å; H105-Y109 PolarHBondContact O-N 3.39Å; H105-C113 PolarHBondContact CE1-SG 2.99Å; H105-I116 HydrophobicContact CB-CD1 3.45Å; H105-I116 VanDerWaalsContact CB-CD1 3.45Å; H105-I116 HydrophobicContact CB-CG1 4.27Å; H105-I116 VanDerWaalsContact CD2-CD1 3.43Å; H105-I116 WeakPolarHBondContact CD2-CD1 3.32Å
106	R	82.9	Confident	79.2	Confident	140 Å²	140	105.7 Å²	105.7	53%	0.528	48%	0.479	S	S	.	.	H	α-helix	trans	-63.2	-37.4	176.1	-168.9	175.5	-177	-111.4	0.1	112.1	E102 K103 K108 G110 E111	E102-R106 PolarHBondContact O-N 3.08Å; K103-R106 WeakPolarHBondContact O-CB 3.32Å; K103-R106 PolarHBondContact O-N 2.82Å; K103-R106 VanDerWaalsContact O-N 3.15Å; R106-K108 VanDerWaalsContact C-N 3.34Å; R106-K108 PolarHBondContact O-N 3.44Å; R106-G110 CarbonylContact O-C 3.56Å; R106-G110 WeakPolarHBondContact O-CA 3.38Å; R106-G110 PolarHBondContact O-N 2.92Å; R106-G110 VanDerWaalsContact O-N 3.08Å; R106-E111 IonicContact CZ-OE1 3.45Å; R106-E111 IonicContact NH1-OE1 3.72Å; R106-E111 VanDerWaalsContact NH2-CD 3.27Å; R106-E111 IonicContact NH2-OE1 2.65Å; R106-E111 PolarHBondContact NH2-OE1 2.93Å
107	E	86.3	Confident	78.5	Confident	127 Å²	127	106.8 Å²	106.8	59%	0.593	47%	0.474	S	S	*	.	H	α-helix	trans	-64.3	-35.5	174.5	-72	167.8	-178.3	0	0	112.5	K103 H105	K103-E107 WeakPolarHBondContact CE-OE1 3.39Å; K103-E107 WeakPolarHBondContact O-CG 3.38Å; K103-E107 PolarHBondContact O-N 2.9Å; H105-E107 VanDerWaalsContact C-N 3.31Å; H105-E107 PolarHBondContact O-N 3.45Å
108	K	85.4	Confident	77	Confident	172 Å²	172	106.6 Å²	106.6	75%	0.748	48%	0.481	S	S	*	.	H	α-helix	trans	-80.9	-37.3	-178.6	-74.2	-176.2	179.9	-169	0	114.6	K104 H105 R106	K104-K108 WeakPolarHBondContact O-CG 3.38Å; K104-K108 PolarHBondContact O-N 3.07Å; H105-K108 PolarHBondContact O-N 3.02Å; R106-K108 VanDerWaalsContact C-N 3.34Å; R106-K108 PolarHBondContact O-N 3.44Å
109	Y	83.4	Confident	75.8	Confident	156 Å²	156	108.2 Å²	108.2	61%	0.612	49%	0.492	S	S	*	.	H	α-helix	trans	-109	4.1	-171.6	-64.7	-82.2	0	0	0	113.8	H105 C113	H105-Y109 AromaticContact CD2-CD2 3.52Å; H105-Y109 AromaticContact CD2-CE2 3.41Å; H105-Y109 VanDerWaalsContact CD2-CE2 3.41Å; H105-Y109 WeakPolarHBondContact CD2-CE2 3.37Å; H105-Y109 AromaticContact CE1-CD2 3.69Å; H105-Y109 AromaticContact CG-CD2 3.85Å; H105-Y109 AromaticContact ND1-CD2 3.92Å; H105-Y109 AromaticContact NE2-CD2 3.45Å; H105-Y109 WeakPolarHBondContact NE2-CD2 3.48Å; H105-Y109 AromaticContact NE2-CE2 3.37Å; H105-Y109 WeakPolarHBondContact NE2-CE2 3.39Å; H105-Y109 WeakPolarHBondContact O-CD2 3.49Å; H105-Y109 PolarHBondContact O-N 3.39Å; Y109-C113 WeakPolarHBondContact CB-SG 3.31Å
110	G	81.5	Confident	74.5	Confident	35 Å²	35	107 Å²	107	36%	0.361	49%	0.49	S	S	.	.			trans	77	173.2	-179.8	0	0	0	0	0	114.1	R106 N112 C113	R106-G110 CarbonylContact O-C 3.56Å; R106-G110 WeakPolarHBondContact O-CA 3.38Å; R106-G110 PolarHBondContact O-N 2.92Å; R106-G110 VanDerWaalsContact O-N 3.08Å; G110-N112 VanDerWaalsContact C-N 3.25Å; G110-N112 PolarHBondContact O-N 3.31Å; G110-C113 WeakPolarHBondContact O-CB 3.47Å; G110-C113 PolarHBondContact O-N 2.98Å
111	E	74.6	Confident	72.8	Confident	151 Å²	151	107.8 Å²	107.8	71%	0.706	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.3	-173.1	-65.5	-156.4	134	0	0	114.4	R106 C113	R106-E111 IonicContact CZ-OE1 3.45Å; R106-E111 IonicContact NH1-OE1 3.72Å; R106-E111 VanDerWaalsContact NH2-CD 3.27Å; R106-E111 IonicContact NH2-OE1 2.65Å; R106-E111 PolarHBondContact NH2-OE1 2.93Å; E111-C113 VanDerWaalsContact C-N 3.31Å; E111-C113 PolarHBondContact O-N 3.43Å
112	N	72.7	Confident	71.3	Confident	171 Å²	171	107 Å²	107	91%	0.914	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	6.4	-179.2	-76.8	-21.8	0	0	0	114.3	G110	G110-N112 VanDerWaalsContact C-N 3.25Å; G110-N112 PolarHBondContact O-N 3.31Å
113	C	71.5	Confident	70.1	Confident	42 Å²	42	108.6 Å²	108.6	28%	0.284	52%	0.52	S	S	.	.	S	Bend	trans	-74.4	142.3	-180	-167.1	0	0	0	0	112.8	H105 Y109 G110 E111 R115	H105-C113 PolarHBondContact CE1-SG 2.99Å; Y109-C113 WeakPolarHBondContact CB-SG 3.31Å; G110-C113 WeakPolarHBondContact O-CB 3.47Å; G110-C113 PolarHBondContact O-N 2.98Å; E111-C113 VanDerWaalsContact C-N 3.31Å; E111-C113 PolarHBondContact O-N 3.43Å; C113-R115 PolarHBondContact O-N 3.35Å
114	R	69.3	Low	68.9	Low	210 Å²	210	108.5 Å²	108.5	79%	0.792	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-64.5	129.4	174.6	-166.2	175.9	-175.7	-174.6	1.6	109.8	I116	R114-I116 PolarHBondContact O-N 2.97Å
115	R	67.9	Low	68	Low	159 Å²	159	105.9 Å²	105.9	60%	0.6	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-58.6	133.6	176	-74.7	-171.8	-101.1	-176	-6.7	111	C113	C113-R115 PolarHBondContact O-N 3.35Å
116	I	64.2	Low	67.2	Low	77 Å²	77	106 Å²	106	40%	0.395	53%	0.533	S	S	.	.	S	Bend	trans	-64.6	-41.8	178.3	-60.7	162.1	0	0	0	110.5	H105 R114	H105-I116 HydrophobicContact CB-CD1 3.45Å; H105-I116 VanDerWaalsContact CB-CD1 3.45Å; H105-I116 HydrophobicContact CB-CG1 4.27Å; H105-I116 VanDerWaalsContact CD2-CD1 3.43Å; H105-I116 WeakPolarHBondContact CD2-CD1 3.32Å; R114-I116 PolarHBondContact O-N 2.97Å
117	Y	64.4	Low	66.7	Low	65 Å²	65	100.5 Å²	100.5	26%	0.255	51%	0.514	S	S	.	.	S	Bend	trans	-104.4	121.3	175.4	-52.5	-72.3	0	0	0	110.3	R98 E102 N119	R98-Y117 HydrophobicContact CB-CD2 4.3Å; R98-Y117 HydrophobicContact CB-CE2 3.9Å; R98-Y117 HydrophobicContact CG-CE2 3.86Å; E102-Y117 HydrophobicContact CG-CD2 3.76Å; E102-Y117 HydrophobicContact CG-CE2 4.32Å; E102-Y117 VanDerWaalsContact OE1-CB 3.22Å; E102-Y117 WeakPolarHBondContact OE1-CB 3.32Å; E102-Y117 WeakPolarHBondContact OE1-CD2 3.39Å; E102-Y117 PolarHBondContact OE1-N 3.35Å; Y117-N119 PolarHBondContact O-N 2.9Å
118	L	52.1	Low	66.3	Low	124 Å²	124	96.2 Å²	96.2	65%	0.649	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	102.4	-179.8	-149.1	87.8	0	0	0	109.4
119	N	55.2	Low	66.1	Low	67 Å²	67	95.6 Å²	95.6	36%	0.358	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	81.9	-177.8	-54.8	-71.4	0	0	0	115.3	Y117 G121 K122	Y117-N119 PolarHBondContact O-N 2.9Å; N119-G121 PolarHBondContact O-N 2.98Å; N119-G121 VanDerWaalsContact O-N 3.1Å; N119-K122 HydrophobicContact CB-CB 4Å; N119-K122 PolarHBondContact O-N 3.39Å; N119-K122 VanDerWaalsContact O-N 3.09Å
120	T	50.9	Low	66.1	Low	46 Å²	46	90.5 Å²	90.5	28%	0.282	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.9	173.9	-5.9	0	0	0	0	114.2	E102	E102-T120 WeakPolarHBondContact OE2-CG2 3.44Å; E102-T120 PolarHBondContact OE2-OG1 3.41Å
121	G	47.6	Very low	66.2	Low	82 Å²	82	90.4 Å²	90.4	85%	0.845	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-10.4	178.3	0	0	0	0	0	116.5	N119	N119-G121 PolarHBondContact O-N 2.98Å; N119-G121 VanDerWaalsContact O-N 3.1Å
122	K	52.5	Low	66.8	Low	113 Å²	113	83.9 Å²	83.9	49%	0.491	43%	0.43	S	S	.	.	S	Bend	trans	-101.2	122.6	174.2	-83.2	-178	174.4	177.1	0	108	N119 R124	N119-K122 HydrophobicContact CB-CB 4Å; N119-K122 PolarHBondContact O-N 3.39Å; N119-K122 VanDerWaalsContact O-N 3.09Å; K122-R124 PolarHBondContact O-N 3.33Å
123	K	55.8	Low	67.6	Low	63 Å²	63	79.8 Å²	79.8	27%	0.274	41%	0.408	S	S	.	.			trans	-60.6	76.8	171	-64.8	-176.7	178.3	-169.8	0	110.1	Y131 E204 L208	K123-Y131 PolarHBondContact NZ-OH 2.68Å; K123-E204 IonicContact NZ-OE1 2.69Å; K123-L208 HydrophobicContact CD-CD2 3.89Å
124	R	58.4	Low	68.4	Low	127 Å²	127	78.9 Å²	78.9	48%	0.479	40%	0.401	S	S	.	.			trans	-124.1	148.1	-174.8	-118.3	176.5	-157.3	-170.5	3.9	111.2	K122 E215	K122-R124 PolarHBondContact O-N 3.33Å; R124-E215 IonicContact CZ-OE2 3.72Å; R124-E215 IonicContact NE-OE2 3.99Å; R124-E215 IonicContact NH2-OE2 3.92Å; R124-E215 PolarHBondContact NH2-OE2 3.45Å
125	G	68	Low	69.4	Low	49 Å²	49	69.1 Å²	69.1	51%	0.505	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	-139.2	-180	0	0	0	0	0	113.3	L127 W128	G125-L127 VanDerWaalsContact C-N 3.27Å; G125-L127 PolarHBondContact O-N 3.42Å; G125-W128 WeakPolarHBondContact O-CB 3.38Å; G125-W128 PolarHBondContact O-N 2.98Å; G125-W128 VanDerWaalsContact O-N 3.14Å
126	G	66.5	Low	70.6	Confident	50 Å²	50	65.9 Å²	65.9	52%	0.515	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-28.3	-175.3	0	0	0	0	0	115.3	W128 W129 T130	G126-W128 VanDerWaalsContact C-N 3.28Å; G126-W128 PolarHBondContact O-N 3.46Å; G126-W129 PolarHBondContact O-N 3.4Å; G126-T130 PolarHBondContact O-N 3.46Å; G126-T130 VanDerWaalsContact O-N 3.09Å; G126-T130 PolarHBondContact O-OG1 3.25Å
127	L	73.2	Confident	72	Confident	25 Å²	25	67 Å²	67	13%	0.131	36%	0.36	C	S	.	.	H	α-helix	trans	-67.9	-29.5	178.3	-170.3	65.4	0	0	0	112.4	H94 V95 G125 T130 Y131	H94-L127 WeakPolarHBondContact ND1-CD1 3.4Å; V95-L127 HydrophobicContact CG2-CD1 4.01Å; G125-L127 VanDerWaalsContact C-N 3.27Å; G125-L127 PolarHBondContact O-N 3.42Å; L127-T130 WeakPolarHBondContact CA-OG1 3.31Å; L127-T130 PolarHBondContact O-OG1 2.9Å; L127-Y131 WeakPolarHBondContact O-CB 3.33Å; L127-Y131 PolarHBondContact O-N 3.3Å
128	W	77.8	Confident	73.3	Confident	36 Å²	36	64.5 Å²	64.5	14%	0.136	35%	0.351	C	S	.	.	H	α-helix	trans	-69.9	-42.2	174.8	-175.8	91.6	0	0	0	111	G125 G126 Y131 V132 V209	G125-W128 WeakPolarHBondContact O-CB 3.38Å; G125-W128 PolarHBondContact O-N 2.98Å; G125-W128 VanDerWaalsContact O-N 3.14Å; G126-W128 VanDerWaalsContact C-N 3.28Å; G126-W128 PolarHBondContact O-N 3.46Å; W128-Y131 WeakPolarHBondContact O-CB 3.43Å; W128-Y131 PolarHBondContact O-N 2.97Å; W128-V132 HydrophobicContact CD2-CG2 3.9Å; W128-V132 HydrophobicContact CE3-CG2 4.09Å; W128-V132 HydrophobicContact CH2-CG2 4.07Å; W128-V132 HydrophobicContact CZ2-CG2 3.86Å; W128-V132 HydrophobicContact CZ3-CG2 4.18Å; W128-V132 WeakPolarHBondContact O-CG2 3.37Å; W128-V132 PolarHBondContact O-N 2.95Å; W128-V209 HydrophobicContact CZ2-CG2 4.4Å
129	W	80.6	Confident	75.3	Confident	159 Å²	159	60 Å²	60	60%	0.602	33%	0.327	S	S	*	.	H	α-helix	trans	-65.1	-44.4	179.6	-167.8	-101.7	0	0	0	111.8	G126 Y131 V132 L133	G126-W129 PolarHBondContact O-N 3.4Å; W129-Y131 VanDerWaalsContact C-N 3.27Å; W129-Y131 PolarHBondContact O-N 2.92Å; W129-V132 PolarHBondContact O-N 3.18Å; W129-L133 VanDerWaalsContact CD1-CD1 3.44Å; W129-L133 HydrophobicContact CG-CD1 4.41Å; W129-L133 HydrophobicContact CZ2-CD2 4.5Å; W129-L133 WeakPolarHBondContact O-CB 3.32Å; W129-L133 WeakPolarHBondContact O-CG 3.49Å; W129-L133 PolarHBondContact O-N 2.9Å
130	T	83.7	Confident	77.2	Confident	49 Å²	49	58.3 Å²	58.3	30%	0.301	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-40.7	174.2	52.7	0	0	0	0	111.5	G126 L127 T134	G126-T130 PolarHBondContact O-N 3.46Å; G126-T130 VanDerWaalsContact O-N 3.09Å; G126-T130 PolarHBondContact O-OG1 3.25Å; L127-T130 WeakPolarHBondContact CA-OG1 3.31Å; L127-T130 PolarHBondContact O-OG1 2.9Å; T130-T134 WeakPolarHBondContact O-CB 3.38Å; T130-T134 PolarHBondContact O-N 3.32Å; T130-T134 PolarHBondContact O-OG1 3.24Å
131	Y	83	Confident	79.3	Confident	33 Å²	33	56.9 Å²	56.9	13%	0.129	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-47.6	179.1	-164.3	-94.3	0	0	0	112.4	V91 K123 L127 W128 W129 T134 L135 E204 L208	V91-Y131 HydrophobicContact CG1-CD2 3.98Å; V91-Y131 HydrophobicContact CG1-CE2 4.41Å; K123-Y131 PolarHBondContact NZ-OH 2.68Å; L127-Y131 WeakPolarHBondContact O-CB 3.33Å; L127-Y131 PolarHBondContact O-N 3.3Å; W128-Y131 WeakPolarHBondContact O-CB 3.43Å; W128-Y131 PolarHBondContact O-N 2.97Å; W129-Y131 VanDerWaalsContact C-N 3.27Å; W129-Y131 PolarHBondContact O-N 2.92Å; Y131-T134 PolarHBondContact O-N 2.94Å; Y131-L135 HydrophobicContact CD1-CD1 3.85Å; Y131-L135 HydrophobicContact CD1-CG 4.25Å; Y131-L135 HydrophobicContact CE1-CD1 3.49Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.49Å; Y131-L135 HydrophobicContact CE1-CD2 4.49Å; Y131-L135 HydrophobicContact CE1-CG 4.01Å; Y131-L135 WeakPolarHBondContact O-CG 3.18Å; Y131-L135 PolarHBondContact O-N 3.01Å; Y131-E204 HydrophobicContact CE1-CG 4.28Å; Y131-E204 WeakPolarHBondContact CE1-OE1 3.26Å; Y131-E204 VanDerWaalsContact CZ-OE1 3.31Å; Y131-E204 PolarHBondContact OH-OE1 3.26Å; Y131-E204 PolarHBondContact OH-OE2 3.32Å; Y131-L208 HydrophobicContact CD1-CD1 3.43Å; Y131-L208 VanDerWaalsContact CD1-CD1 3.43Å; Y131-L208 HydrophobicContact CE1-CD1 3.43Å; Y131-L208 VanDerWaalsContact CE1-CD1 3.43Å
132	V	87	Confident	81.5	Confident	15 Å²	15	53 Å²	53	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-45.4	179.2	171.7	0	0	0	0	111	W128 W129 T134 L135 L136	W128-V132 HydrophobicContact CD2-CG2 3.9Å; W128-V132 HydrophobicContact CE3-CG2 4.09Å; W128-V132 HydrophobicContact CH2-CG2 4.07Å; W128-V132 HydrophobicContact CZ2-CG2 3.86Å; W128-V132 HydrophobicContact CZ3-CG2 4.18Å; W128-V132 WeakPolarHBondContact O-CG2 3.37Å; W128-V132 PolarHBondContact O-N 2.95Å; W129-V132 PolarHBondContact O-N 3.18Å; V132-T134 VanDerWaalsContact C-N 3.3Å; V132-T134 PolarHBondContact O-N 3.17Å; V132-L135 PolarHBondContact O-N 2.74Å; V132-L135 VanDerWaalsContact O-N 3.17Å; V132-L136 HydrophobicContact CG1-CD1 4.05Å; V132-L136 HydrophobicContact CG1-CG 4.4Å; V132-L136 WeakPolarHBondContact O-CG 2.92Å; V132-L136 PolarHBondContact O-N 3.12Å
133	L	89.3	Confident	83.6	Confident	85 Å²	85	51.1 Å²	51.1	45%	0.445	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-40.9	175.4	-75.7	-177.3	0	0	0	112.1	W129 L136 F137	W129-L133 VanDerWaalsContact CD1-CD1 3.44Å; W129-L133 HydrophobicContact CG-CD1 4.41Å; W129-L133 HydrophobicContact CZ2-CD2 4.5Å; W129-L133 WeakPolarHBondContact O-CB 3.32Å; W129-L133 WeakPolarHBondContact O-CG 3.49Å; W129-L133 PolarHBondContact O-N 2.9Å; L133-L136 PolarHBondContact O-N 3.45Å; L133-F137 WeakPolarHBondContact O-CB 3.2Å; L133-F137 PolarHBondContact O-N 3.29Å
134	T	89.7	Confident	85.4	Confident	23 Å²	23	51.6 Å²	51.6	14%	0.141	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-44	174.5	-69.5	0	0	0	0	112.1	P87 V91 T130 Y131 V132 F137 K138	P87-T134 HydrophobicContact CB-CG2 3.65Å; V91-T134 HydrophobicContact CG2-CG2 3.83Å; V91-T134 WeakPolarHBondContact CG2-OG1 3.36Å; T130-T134 WeakPolarHBondContact O-CB 3.38Å; T130-T134 PolarHBondContact O-N 3.32Å; T130-T134 PolarHBondContact O-OG1 3.24Å; Y131-T134 PolarHBondContact O-N 2.94Å; V132-T134 VanDerWaalsContact C-N 3.3Å; V132-T134 PolarHBondContact O-N 3.17Å; T134-F137 PolarHBondContact O-N 2.97Å; T134-K138 HydrophobicContact CG2-CD 4.45Å; T134-K138 WeakPolarHBondContact O-CG 3.16Å; T134-K138 PolarHBondContact O-N 3.35Å
135	L	89.4	Confident	87.1	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-42.3	177.6	-70.8	-179	0	0	0	112.3	Y131 V132 K138 I139 E204 I205 L208	Y131-L135 HydrophobicContact CD1-CD1 3.85Å; Y131-L135 HydrophobicContact CD1-CG 4.25Å; Y131-L135 HydrophobicContact CE1-CD1 3.49Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.49Å; Y131-L135 HydrophobicContact CE1-CD2 4.49Å; Y131-L135 HydrophobicContact CE1-CG 4.01Å; Y131-L135 WeakPolarHBondContact O-CG 3.18Å; Y131-L135 PolarHBondContact O-N 3.01Å; V132-L135 PolarHBondContact O-N 2.74Å; V132-L135 VanDerWaalsContact O-N 3.17Å; L135-K138 HydrophobicContact CD2-CD 4.48Å; L135-K138 PolarHBondContact O-N 2.9Å; L135-I139 WeakPolarHBondContact O-CG1 3.24Å; L135-I139 PolarHBondContact O-N 3.4Å; L135-E204 HydrophobicContact CD1-CB 4.2Å; L135-E204 HydrophobicContact CD1-CG 3.88Å; L135-I205 HydrophobicContact CB-CD1 3.87Å; L135-I205 HydrophobicContact CB-CG1 3.82Å; L135-I205 HydrophobicContact CD1-CG1 3.71Å; L135-I205 HydrophobicContact CG-CG1 4.45Å; L135-L208 HydrophobicContact CD1-CD1 4.33Å
136	L	92.4	Very high	88.3	Confident	90 Å²	90	45.1 Å²	45.1	47%	0.471	25%	0.246	S	C	.	.	H	α-helix	trans	-62.2	-43.9	175.7	-71.1	173.7	0	0	0	111.6	V132 L133 K138 I139 G140 I205	V132-L136 HydrophobicContact CG1-CD1 4.05Å; V132-L136 HydrophobicContact CG1-CG 4.4Å; V132-L136 WeakPolarHBondContact O-CG 2.92Å; V132-L136 PolarHBondContact O-N 3.12Å; L133-L136 PolarHBondContact O-N 3.45Å; L136-K138 VanDerWaalsContact C-N 3.35Å; L136-K138 PolarHBondContact O-N 3.43Å; L136-I139 PolarHBondContact O-N 2.83Å; L136-G140 PolarHBondContact O-N 3.33Å; L136-I205 HydrophobicContact CD2-CD1 3.76Å; L136-I205 HydrophobicContact CG-CD1 4.17Å
137	F	94.1	Very high	89.6	Confident	100 Å²	100	49.4 Å²	49.4	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-43.1	176.3	-179	-94.5	0	0	0	111.7	F83 P87 L133 T134 I139 G140 V141	F83-F137 HydrophobicContact CD1-CZ 4.4Å; P87-F137 HydrophobicContact CB-CD1 4.29Å; P87-F137 HydrophobicContact CG-CD1 3.45Å; P87-F137 VanDerWaalsContact CG-CD1 3.45Å; P87-F137 HydrophobicContact CG-CE1 3.52Å; L133-F137 WeakPolarHBondContact O-CB 3.2Å; L133-F137 PolarHBondContact O-N 3.29Å; T134-F137 PolarHBondContact O-N 2.97Å; F137-I139 PolarHBondContact O-N 3.5Å; F137-G140 PolarHBondContact O-N 3.06Å; F137-V141 HydrophobicContact CD1-CG2 3.99Å; F137-V141 HydrophobicContact CE1-CG2 3.56Å; F137-V141 HydrophobicContact CE2-CG2 4.16Å; F137-V141 HydrophobicContact CG-CG2 4.48Å; F137-V141 HydrophobicContact CZ-CG2 3.65Å; F137-V141 WeakPolarHBondContact O-CG2 3.37Å; F137-V141 PolarHBondContact O-N 2.9Å
138	K	92	Very high	90.5	Very high	14 Å²	14	51.4 Å²	51.4	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-48.2	175	-76	176.6	175.8	-169.2	0	112.4	W24 S88 T134 L135 L136 G140 V141 D142	W24-K138 HydrophobicContact CH2-CD 4.19Å; W24-K138 HydrophobicContact CZ2-CD 3.88Å; W24-K138 VanDerWaalsContact CZ3-NZ 3.26Å; S88-K138 WeakPolarHBondContact OG-CE 3.26Å; S88-K138 PolarHBondContact OG-NZ 3.34Å; T134-K138 HydrophobicContact CG2-CD 4.45Å; T134-K138 WeakPolarHBondContact O-CG 3.16Å; T134-K138 PolarHBondContact O-N 3.35Å; L135-K138 HydrophobicContact CD2-CD 4.48Å; L135-K138 PolarHBondContact O-N 2.9Å; L136-K138 VanDerWaalsContact C-N 3.35Å; L136-K138 PolarHBondContact O-N 3.43Å; K138-G140 VanDerWaalsContact C-N 3.31Å; K138-G140 PolarHBondContact O-N 2.98Å; K138-V141 PolarHBondContact O-N 2.94Å; K138-D142 PolarHBondContact O-N 3.23Å
139	I	94.3	Very high	91.1	Very high	28 Å²	28	49.8 Å²	49.8	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-47.3	177.1	-68.5	164.8	0	0	0	109.9	L135 L136 F137 V141 D142 V143 V198 I202 I205	L135-I139 WeakPolarHBondContact O-CG1 3.24Å; L135-I139 PolarHBondContact O-N 3.4Å; L136-I139 PolarHBondContact O-N 2.83Å; F137-I139 PolarHBondContact O-N 3.5Å; I139-V141 PolarHBondContact O-N 3.25Å; I139-D142 PolarHBondContact O-N 3.44Å; I139-V143 HydrophobicContact CG2-CG2 4.2Å; I139-V143 WeakPolarHBondContact O-CB 3.41Å; I139-V143 VanDerWaalsContact O-CG2 3.26Å; I139-V143 WeakPolarHBondContact O-CG2 3.48Å; I139-V143 PolarHBondContact O-N 3.07Å; I139-V198 HydrophobicContact CG2-CG1 4.25Å; I139-I202 HydrophobicContact CD1-CG1 3.82Å; I139-I205 HydrophobicContact CD1-CD1 3.54Å
140	G	95.7	Very high	91.6	Very high	33 Å²	33	48.5 Å²	48.5	34%	0.34	25%	0.248	S	C	.	.	H	α-helix	trans	-58.5	-46.6	178.3	0	0	0	0	0	112.5	L136 F137 K138 T144	L136-G140 PolarHBondContact O-N 3.33Å; F137-G140 PolarHBondContact O-N 3.06Å; K138-G140 VanDerWaalsContact C-N 3.31Å; K138-G140 PolarHBondContact O-N 2.98Å; G140-T144 VanDerWaalsContact O-CB 3.25Å; G140-T144 WeakPolarHBondContact O-CB 3.49Å; G140-T144 PolarHBondContact O-N 3.49Å; G140-T144 PolarHBondContact O-OG1 3.43Å
141	V	94.4	Very high	92	Very high	15 Å²	15	52.1 Å²	52.1	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-53.3	176.5	170.2	0	0	0	0	110.9	F83 V84 F137 K138 I139 V143 T144 F145	F83-V141 HydrophobicContact CB-CG1 3.6Å; F83-V141 HydrophobicContact CB-CG2 4.11Å; V84-V141 HydrophobicContact CG2-CB 4.35Å; V84-V141 HydrophobicContact CG2-CG1 3.74Å; F137-V141 HydrophobicContact CD1-CG2 3.99Å; F137-V141 HydrophobicContact CE1-CG2 3.56Å; F137-V141 HydrophobicContact CE2-CG2 4.16Å; F137-V141 HydrophobicContact CG-CG2 4.48Å; F137-V141 HydrophobicContact CZ-CG2 3.65Å; F137-V141 WeakPolarHBondContact O-CG2 3.37Å; F137-V141 PolarHBondContact O-N 2.9Å; K138-V141 PolarHBondContact O-N 2.94Å; I139-V141 PolarHBondContact O-N 3.25Å; V141-V143 VanDerWaalsContact C-N 3.34Å; V141-V143 PolarHBondContact O-N 3.41Å; V141-T144 PolarHBondContact O-N 2.97Å; V141-F145 HydrophobicContact CG1-CD2 3.74Å; V141-F145 HydrophobicContact CG1-CE2 3.89Å; V141-F145 WeakPolarHBondContact O-CD2 3.32Å; V141-F145 PolarHBondContact O-N 3.5Å
142	D	93.7	Very high	92.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-43.1	-177.5	-86.5	-42.2	0	0	0	111.7	R32 Q80 K138 I139 F145 V146 V198	R32-D142 IonicContact CZ-OD1 3.96Å; R32-D142 IonicContact NH1-OD1 3.04Å; R32-D142 PolarHBondContact NH1-OD1 3.34Å; R32-D142 IonicContact NH1-OD2 3.08Å; R32-D142 IonicContact NH2-OD1 3.78Å; R32-D142 PolarHBondContact NH2-OD1 2.88Å; Q80-D142 PolarHBondContact NE2-OD1 3.31Å; K138-D142 PolarHBondContact O-N 3.23Å; I139-D142 PolarHBondContact O-N 3.44Å; D142-F145 PolarHBondContact O-N 3.47Å; D142-V146 WeakPolarHBondContact O-CB 3.14Å; D142-V146 WeakPolarHBondContact O-CG2 3.27Å; D142-V146 PolarHBondContact O-N 2.99Å; D142-V198 HydrophobicContact CB-CG2 3.58Å
143	V	95.7	Very high	92.2	Very high	74 Å²	74	54.1 Å²	54.1	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-44.5	175.9	169.9	0	0	0	0	111.2	I139 V141 F145 V146 Y147 V198	I139-V143 HydrophobicContact CG2-CG2 4.2Å; I139-V143 WeakPolarHBondContact O-CB 3.41Å; I139-V143 VanDerWaalsContact O-CG2 3.26Å; I139-V143 WeakPolarHBondContact O-CG2 3.48Å; I139-V143 PolarHBondContact O-N 3.07Å; V141-V143 VanDerWaalsContact C-N 3.34Å; V141-V143 PolarHBondContact O-N 3.41Å; V143-F145 PolarHBondContact O-N 3.47Å; V143-V146 PolarHBondContact O-N 3.18Å; V143-Y147 VanDerWaalsContact O-CB 3.27Å; V143-Y147 WeakPolarHBondContact O-CB 3.18Å; V143-Y147 PolarHBondContact O-N 3.12Å; V143-V198 HydrophobicContact CG2-CG1 4.29Å; V143-V198 HydrophobicContact CG2-CG2 4.18Å
144	T	95.3	Very high	91.8	Very high	73 Å²	73	58.6 Å²	58.6	45%	0.448	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-46.3	179.7	-59.1	0	0	0	0	111.2	G140 V141 Y147 L148	G140-T144 VanDerWaalsContact O-CB 3.25Å; G140-T144 WeakPolarHBondContact O-CB 3.49Å; G140-T144 PolarHBondContact O-N 3.49Å; G140-T144 PolarHBondContact O-OG1 3.43Å; V141-T144 PolarHBondContact O-N 2.97Å; T144-Y147 PolarHBondContact O-N 3.37Å; T144-L148 HydrophobicContact CG2-CD1 3.97Å; T144-L148 HydrophobicContact CG2-CG 4.3Å; T144-L148 WeakPolarHBondContact O-CB 3.24Å; T144-L148 VanDerWaalsContact O-CG 3.26Å; T144-L148 WeakPolarHBondContact O-CG 3.36Å; T144-L148 PolarHBondContact O-N 3.45Å
145	F	93.9	Very high	91.1	Very high	22 Å²	22	59 Å²	59	10%	0.096	30%	0.299	C	S	.	.	H	α-helix	trans	-68	-39.2	179	-86.3	-85.9	0	0	0	112.7	L76 L79 Q80 F83 V141 D142 V143 Y147 L148 L149	L76-F145 HydrophobicContact CB-CD1 4.47Å; L76-F145 HydrophobicContact CD2-CE1 4.32Å; L76-F145 WeakPolarHBondContact O-CD1 3.35Å; L76-F145 VanDerWaalsContact O-CE1 3.22Å; L76-F145 WeakPolarHBondContact O-CE1 3.43Å; L79-F145 HydrophobicContact CB-CE1 3.88Å; L79-F145 HydrophobicContact CB-CZ 3.7Å; Q80-F145 HydrophobicContact CB-CB 4.14Å; Q80-F145 HydrophobicContact CB-CD1 3.76Å; Q80-F145 HydrophobicContact CB-CD2 3.9Å; Q80-F145 HydrophobicContact CB-CE1 4.09Å; Q80-F145 HydrophobicContact CB-CE2 4.23Å; Q80-F145 HydrophobicContact CB-CG 3.65Å; Q80-F145 HydrophobicContact CB-CZ 4.32Å; Q80-F145 HydrophobicContact CG-CB 3.68Å; Q80-F145 HydrophobicContact CG-CD1 4.26Å; Q80-F145 HydrophobicContact CG-CD2 3.8Å; Q80-F145 HydrophobicContact CG-CG 3.65Å; F83-F145 HydrophobicContact CD2-CE2 4.09Å; F83-F145 HydrophobicContact CD2-CZ 4.16Å; V141-F145 HydrophobicContact CG1-CD2 3.74Å; V141-F145 HydrophobicContact CG1-CE2 3.89Å; V141-F145 WeakPolarHBondContact O-CD2 3.32Å; V141-F145 PolarHBondContact O-N 3.5Å; D142-F145 PolarHBondContact O-N 3.47Å; V143-F145 PolarHBondContact O-N 3.47Å; F145-Y147 VanDerWaalsContact C-N 3.31Å; F145-Y147 PolarHBondContact O-N 2.94Å; F145-L148 PolarHBondContact O-N 3.28Å; F145-L149 WeakPolarHBondContact O-CB 3.36Å; F145-L149 VanDerWaalsContact O-CG 3.27Å; F145-L149 WeakPolarHBondContact O-CG 2.92Å; F145-L149 PolarHBondContact O-N 3.36Å
146	V	93	Very high	90.6	Very high	19 Å²	19	61 Å²	61	12%	0.115	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-42.3	174.1	168.9	0	0	0	0	110.9	D142 V143 Y150 Y156 V191 L195	D142-V146 WeakPolarHBondContact O-CB 3.14Å; D142-V146 WeakPolarHBondContact O-CG2 3.27Å; D142-V146 PolarHBondContact O-N 2.99Å; V143-V146 PolarHBondContact O-N 3.18Å; V146-Y150 PolarHBondContact O-N 3.26Å; V146-Y156 WeakPolarHBondContact CG1-OH 3.13Å; V146-Y156 PolarHBondContact O-OH 3.42Å; V146-V191 HydrophobicContact CG1-CG1 4.46Å; V146-L195 HydrophobicContact CG1-CD2 4.43Å
147	Y	93.5	Very high	90.1	Very high	140 Å²	140	60.9 Å²	60.9	55%	0.549	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-46.9	176.1	176.1	-98.2	0	0	0	112.3	V143 T144 F145 L149 Y150 H151	V143-Y147 VanDerWaalsContact O-CB 3.27Å; V143-Y147 WeakPolarHBondContact O-CB 3.18Å; V143-Y147 PolarHBondContact O-N 3.12Å; T144-Y147 PolarHBondContact O-N 3.37Å; F145-Y147 VanDerWaalsContact C-N 3.31Å; F145-Y147 PolarHBondContact O-N 2.94Å; Y147-L149 VanDerWaalsContact C-N 3.35Å; Y147-L149 PolarHBondContact O-N 3.41Å; Y147-Y150 WeakPolarHBondContact O-CB 3.45Å; Y147-Y150 PolarHBondContact O-N 3.38Å; Y147-H151 PolarHBondContact O-N 3.02Å
148	L	92.4	Very high	89.7	Confident	66 Å²	66	56.8 Å²	56.8	35%	0.346	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-43.4	177	-74.2	174.2	0	0	0	111.5	T144 F145 Y150 H151 I152	T144-L148 HydrophobicContact CG2-CD1 3.97Å; T144-L148 HydrophobicContact CG2-CG 4.3Å; T144-L148 WeakPolarHBondContact O-CB 3.24Å; T144-L148 VanDerWaalsContact O-CG 3.26Å; T144-L148 WeakPolarHBondContact O-CG 3.36Å; T144-L148 PolarHBondContact O-N 3.45Å; F145-L148 PolarHBondContact O-N 3.28Å; L148-Y150 VanDerWaalsContact C-N 3.32Å; L148-Y150 PolarHBondContact O-N 2.94Å; L148-H151 PolarHBondContact O-N 3.47Å; L148-I152 HydrophobicContact CB-CD1 4.33Å; L148-I152 VanDerWaalsContact O-CB 3.29Å; L148-I152 WeakPolarHBondContact O-CB 3.42Å; L148-I152 WeakPolarHBondContact O-CG1 3.27Å; L148-I152 PolarHBondContact O-N 3.06Å
149	L	91.1	Very high	89.6	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-40.9	175.5	-74.7	169.3	0	0	0	111.9	L76 F145 Y147 Y153 Y156	L76-L149 HydrophobicContact CB-CD2 4.3Å; L76-L149 HydrophobicContact CD1-CD2 3.72Å; F145-L149 WeakPolarHBondContact O-CB 3.36Å; F145-L149 VanDerWaalsContact O-CG 3.27Å; F145-L149 WeakPolarHBondContact O-CG 2.92Å; F145-L149 PolarHBondContact O-N 3.36Å; Y147-L149 VanDerWaalsContact C-N 3.35Å; Y147-L149 PolarHBondContact O-N 3.41Å; L149-Y153 HydrophobicContact CD2-CD2 4.03Å; L149-Y153 HydrophobicContact CD2-CE2 3.76Å; L149-Y153 WeakPolarHBondContact O-CD2 3.47Å; L149-Y153 PolarHBondContact O-N 2.87Å; L149-Y156 HydrophobicContact CB-CD1 4.49Å; L149-Y156 HydrophobicContact CB-CE1 3.83Å
150	Y	90.9	Very high	89.4	Confident	132 Å²	132	61.5 Å²	61.5	52%	0.518	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-42.3	178	-179.2	-101.6	0	0	0	112.2	V146 Y147 L148 E154 G155 Y156	V146-Y150 PolarHBondContact O-N 3.26Å; Y147-Y150 WeakPolarHBondContact O-CB 3.45Å; Y147-Y150 PolarHBondContact O-N 3.38Å; L148-Y150 VanDerWaalsContact C-N 3.32Å; L148-Y150 PolarHBondContact O-N 2.94Å; Y150-E154 PolarHBondContact O-N 3.41Å; Y150-G155 PolarHBondContact O-N 2.96Å; Y150-G155 VanDerWaalsContact O-N 3.16Å; Y150-Y156 HydrophobicContact CD2-CD2 4.2Å; Y150-Y156 AromaticContact CD2-CE2 3.74Å; Y150-Y156 HydrophobicContact CD2-CE2 3.74Å
151	H	90.4	Very high	89.2	Confident	126 Å²	126	62.9 Å²	62.9	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-79.6	-36.6	-176.1	-167.8	-60.7	0	0	0	113.2	Y147 L148	Y147-H151 PolarHBondContact O-N 3.02Å; L148-H151 PolarHBondContact O-N 3.47Å
152	I	89.4	Confident	89.2	Confident	68 Å²	68	63 Å²	63	35%	0.349	32%	0.323	S	S	.	.	H	α-helix	trans	-73.9	-34.9	-179.8	-67.3	168.5	0	0	0	111	L76 L148	L76-I152 HydrophobicContact CD1-CD1 4.49Å; L148-I152 HydrophobicContact CB-CD1 4.33Å; L148-I152 VanDerWaalsContact O-CB 3.29Å; L148-I152 WeakPolarHBondContact O-CB 3.42Å; L148-I152 WeakPolarHBondContact O-CG1 3.27Å; L148-I152 PolarHBondContact O-N 3.06Å
153	Y	85.6	Confident	89.2	Confident	22 Å²	22	69.5 Å²	69.5	9%	0.086	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	32.5	-174.2	-52.9	-74.4	0	0	0	113.1	F69 V71 H73 L76 L149 G155 Y156	F69-Y153 HydrophobicContact CD1-CE1 4.38Å; V71-Y153 PolarHBondContact O-OH 3.27Å; H73-Y153 AromaticContact CD2-CD2 3.82Å; H73-Y153 AromaticContact CD2-CE2 3.61Å; H73-Y153 AromaticContact CD2-CZ 3.95Å; H73-Y153 AromaticContact CE1-CD1 3.2Å; H73-Y153 WeakPolarHBondContact CE1-CD1 3.47Å; H73-Y153 AromaticContact CE1-CD2 3.62Å; H73-Y153 AromaticContact CE1-CE1 3.05Å; H73-Y153 WeakPolarHBondContact CE1-CE1 3.39Å; H73-Y153 AromaticContact CE1-CE2 3.49Å; H73-Y153 VanDerWaalsContact CE1-CE2 3.49Å; H73-Y153 WeakPolarHBondContact CE1-CE2 3.42Å; H73-Y153 AromaticContact CE1-CG 3.45Å; H73-Y153 VanDerWaalsContact CE1-CG 3.45Å; H73-Y153 AromaticContact CE1-CZ 3.17Å; H73-Y153 AromaticContact CG-CZ 3.93Å; H73-Y153 AromaticContact ND1-CE1 3.65Å; H73-Y153 AromaticContact ND1-CE2 3.94Å; H73-Y153 AromaticContact ND1-CZ 3.46Å; H73-Y153 AromaticContact NE2-CD1 3.55Å; H73-Y153 AromaticContact NE2-CD2 3.13Å; H73-Y153 WeakPolarHBondContact NE2-CD2 3.44Å; H73-Y153 AromaticContact NE2-CE1 3.68Å; H73-Y153 AromaticContact NE2-CE2 3.27Å; H73-Y153 VanDerWaalsContact NE2-CE2 3.27Å; H73-Y153 WeakPolarHBondContact NE2-CE2 3.05Å; H73-Y153 AromaticContact NE2-CG 3.24Å; H73-Y153 AromaticContact NE2-CZ 3.51Å; L76-Y153 HydrophobicContact CD1-CE2 3.86Å; L149-Y153 HydrophobicContact CD2-CD2 4.03Å; L149-Y153 HydrophobicContact CD2-CE2 3.76Å; L149-Y153 WeakPolarHBondContact O-CD2 3.47Å; L149-Y153 PolarHBondContact O-N 2.87Å; Y153-G155 VanDerWaalsContact C-N 3.35Å; Y153-G155 PolarHBondContact O-N 2.89Å; Y153-Y156 PolarHBondContact O-N 3.27Å
154	E	80.1	Confident	89.3	Confident	179 Å²	179	66 Å²	66	84%	0.836	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	36.5	57	170.4	-64.4	-174.7	175.2	0	0	114.6	Y150	Y150-E154 PolarHBondContact O-N 3.41Å
155	G	76	Confident	89.3	Confident	32 Å²	32	70.6 Å²	70.6	33%	0.33	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	25.7	173.1	0	0	0	0	0	116.8	Y150 Y153 D157	Y150-G155 PolarHBondContact O-N 2.96Å; Y150-G155 VanDerWaalsContact O-N 3.16Å; Y153-G155 VanDerWaalsContact C-N 3.35Å; Y153-G155 PolarHBondContact O-N 2.89Å; G155-D157 PolarHBondContact O-N 3.19Å
156	Y	79.5	Confident	89.4	Confident	47 Å²	47	73.1 Å²	73.1	18%	0.184	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	18.4	178.1	-46.6	-66.6	0	0	0	114.1	V146 L149 Y150 Y153 T187 V191	V146-Y156 WeakPolarHBondContact CG1-OH 3.13Å; V146-Y156 PolarHBondContact O-OH 3.42Å; L149-Y156 HydrophobicContact CB-CD1 4.49Å; L149-Y156 HydrophobicContact CB-CE1 3.83Å; Y150-Y156 HydrophobicContact CD2-CD2 4.2Å; Y150-Y156 AromaticContact CD2-CE2 3.74Å; Y150-Y156 HydrophobicContact CD2-CE2 3.74Å; Y153-Y156 PolarHBondContact O-N 3.27Å; Y156-T187 HydrophobicContact CD1-CG2 4.06Å; Y156-V191 HydrophobicContact CD1-CG2 3.92Å; Y156-V191 HydrophobicContact CE1-CG1 4.48Å; Y156-V191 HydrophobicContact CE1-CG2 3.49Å; Y156-V191 VanDerWaalsContact CE1-CG2 3.49Å; Y156-V191 HydrophobicContact CE2-CG1 4.23Å
157	D	81	Confident	89.5	Confident	87 Å²	87	78 Å²	78	47%	0.465	39%	0.386	S	S	.	.			trans	-91.7	140.5	179.9	-143.9	-0.1	0	0	0	111.1	G155 K184	G155-D157 PolarHBondContact O-N 3.19Å; D157-K184 IonicContact OD1-NZ 3.66Å; D157-K184 PolarHBondContact OD1-NZ 3.48Å; D157-K184 IonicContact OD2-NZ 3.36Å
158	F	86.7	Confident	89.6	Confident	13 Å²	13	73.8 Å²	73.8	6%	0.057	38%	0.376	C	S	.	.			trans	-119.8	88.2	175.8	-75.5	-93.2	0	0	0	107.4	W44 F69 H73 P180 K183 K184 T187	W44-F158 HydrophobicContact CZ2-CZ 4.42Å; F69-F158 HydrophobicContact CE1-CE1 4.34Å; H73-F158 AromaticContact CD2-CZ 3.73Å; H73-F158 AromaticContact CE1-CE1 3.4Å; H73-F158 WeakPolarHBondContact CE1-CE1 3.3Å; H73-F158 AromaticContact CE1-CZ 3.15Å; H73-F158 WeakPolarHBondContact CE1-CZ 3.43Å; H73-F158 AromaticContact CG-CZ 4Å; H73-F158 AromaticContact ND1-CE1 3.88Å; H73-F158 AromaticContact ND1-CZ 3.67Å; H73-F158 AromaticContact NE2-CE1 3.9Å; H73-F158 AromaticContact NE2-CE2 3.89Å; H73-F158 AromaticContact NE2-CZ 3.17Å; H73-F158 WeakPolarHBondContact NE2-CZ 3.26Å; F158-P180 HydrophobicContact CB-CB 4.03Å; F158-P180 VanDerWaalsContact O-CB 3.31Å; F158-P180 WeakPolarHBondContact O-CB 3.27Å; F158-K183 HydrophobicContact CD1-CB 4.05Å; F158-K183 HydrophobicContact CD1-CD 4.19Å; F158-K183 HydrophobicContact CD2-CB 4.29Å; F158-K183 HydrophobicContact CE1-CB 3.97Å; F158-K183 HydrophobicContact CE1-CD 4.06Å; F158-K183 HydrophobicContact CE2-CB 4.22Å; F158-K183 HydrophobicContact CG-CB 4.17Å; F158-K183 HydrophobicContact CZ-CB 4.02Å; F158-K184 HydrophobicContact CD2-CB 4.05Å; F158-T187 HydrophobicContact CE2-CG2 4.3Å; F158-T187 WeakPolarHBondContact CE2-OG1 3.41Å
159	P	89.4	Confident	89.7	Confident	64 Å²	64	71.5 Å²	71.5	42%	0.416	37%	0.365	S	S	.	.			trans	-63.3	146.9	175.3	27.4	-33.8	0	0	0	109.8	L161 I162 I177	P159-L161 PolarHBondContact O-N 3.09Å; P159-I162 HydrophobicContact CG-CG2 3.83Å; P159-I177 WeakPolarHBondContact O-CD1 3.5Å
160	S	88.9	Confident	89.8	Confident	78 Å²	78	75.2 Å²	75.2	55%	0.545	39%	0.39	S	S	.	.	S	Bend	trans	-70.2	-23.8	177.4	52.6	0	0	0	0	112.9	F176 I177	S160-F176 WeakPolarHBondContact O-CA 3.31Å; S160-I177 PolarHBondContact O-N 3.39Å
161	L	93.1	Very high	89.9	Confident	61 Å²	61	74.8 Å²	74.8	32%	0.319	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.3	-178.8	177.5	143.8	0	0	0	110.3	P159 K163 D174 C175 F176	P159-L161 PolarHBondContact O-N 3.09Å; L161-K163 HydrophobicContact CD2-CG 4.05Å; L161-D174 HydrophobicContact CD1-CB 3.83Å; L161-D174 HydrophobicContact CG-CB 4.35Å; L161-C175 WeakPolarHBondContact CA-O 3.23Å; L161-F176 HydrophobicContact CB-CD1 4.46Å; L161-F176 HydrophobicContact CB-CE1 4.43Å; L161-F176 HydrophobicContact CD1-CD1 4.39Å; L161-F176 HydrophobicContact CD1-CE1 3.68Å; L161-F176 HydrophobicContact CD1-CZ 3.82Å
162	I	93.1	Very high	90.2	Very high	17 Å²	17	72.5 Å²	72.5	9%	0.087	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	147	172.9	47.9	156	0	0	0	109.7	F51 F68 P159 C175 I177	F51-I162 HydrophobicContact CE2-CD1 3.76Å; F51-I162 HydrophobicContact CE2-CG1 4.28Å; F51-I162 HydrophobicContact CZ-CD1 3.75Å; F51-I162 HydrophobicContact CZ-CG1 4.5Å; F68-I162 HydrophobicContact CB-CD1 3.78Å; F68-I162 HydrophobicContact CD1-CB 4.35Å; F68-I162 HydrophobicContact CD1-CD1 3.79Å; F68-I162 HydrophobicContact CD1-CG2 4.3Å; F68-I162 HydrophobicContact CD2-CD1 3.29Å; F68-I162 HydrophobicContact CE1-CB 4.06Å; F68-I162 HydrophobicContact CE1-CD1 4.17Å; F68-I162 HydrophobicContact CE1-CG2 4.24Å; F68-I162 HydrophobicContact CE2-CB 4.47Å; F68-I162 HydrophobicContact CE2-CD1 3.72Å; F68-I162 HydrophobicContact CG-CD1 3.32Å; F68-I162 HydrophobicContact CZ-CB 4.13Å; F68-I162 HydrophobicContact CZ-CD1 4.14Å; P159-I162 HydrophobicContact CG-CG2 3.83Å; I162-C175 HydrophobicContact CD1-CB 4.32Å; I162-C175 HydrophobicContact CG1-CB 4.04Å; I162-C175 WeakPolarHBondContact CG1-O 3.32Å; I162-C175 PolarHBondContact N-O 3.02Å; I162-C175 PolarHBondContact O-N 3.26Å; I162-I177 HydrophobicContact CD1-CD1 4.33Å; I162-I177 HydrophobicContact CD1-CG1 4.47Å; I162-I177 HydrophobicContact CG1-CD1 4.14Å; I162-I177 HydrophobicContact CG1-CG1 4.3Å; I162-I177 HydrophobicContact CG2-CD1 3.87Å
163	K	95.4	Very high	90.5	Very high	138 Å²	138	69.8 Å²	69.8	60%	0.6	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.5	-178.6	-64.9	-154.8	175	-167.9	0	110.1	F68 L161 T172 D174	F68-K163 WeakPolarHBondContact CZ-O 3.49Å; L161-K163 HydrophobicContact CD2-CG 4.05Å; K163-T172 HydrophobicContact CB-CG2 3.78Å; K163-T172 HydrophobicContact CD-CG2 4.22Å; K163-T172 HydrophobicContact CG-CG2 4.48Å; K163-D174 WeakPolarHBondContact CE-OD1 3.42Å
164	C	96.3	Very high	91	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.007	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.4	-176.5	-178.1	0	0	0	0	111.5	C64 F68 T172 V173	C64-C164 WeakPolarHBondContact CA-SG 3.48Å; C64-C164 HydrophobicContact CB-CB 3.73Å; C64-C164 WeakPolarHBondContact CB-SG 3.28Å; C64-C164 WeakPolarHBondContact SG-CB 3.43Å; C64-C164 CovalentContact SG-SG 2.02Å; C64-C164 PolarHBondContact SG-SG 3Å; F68-C164 HydrophobicContact CE2-CB 3.87Å; C164-T172 CarbonylContact O-C 3.59Å; C164-T172 VanDerWaalsContact O-CA 3.29Å; C164-T172 WeakPolarHBondContact O-CA 3.43Å; C164-V173 HydrophobicContact CB-CG2 3.95Å; C164-V173 PolarHBondContact N-O 3.48Å; C164-V173 PolarHBondContact O-N 3.09Å
165	K	96.1	Very high	91.8	Very high	168 Å²	168	62.7 Å²	62.7	73%	0.73	35%	0.347	S	S	*	.			trans	-124.7	19.3	178.1	-158.7	-172.1	170.5	-178	0	112.7
166	E	96.3	Very high	92.7	Very high	76 Å²	76	66 Å²	66	36%	0.355	35%	0.353	S	S	.	.			trans	-78.9	150.4	-175.5	-73	-59.8	160.4	0	0	113.3	V63 H67 C169	V63-E166 HydrophobicContact CB-CB 4.5Å; V63-E166 HydrophobicContact CG2-CB 4.14Å; H67-E166 HydrophobicContact CB-CG 4.02Å; H67-E166 IonicContact CE1-OE1 3.05Å; H67-E166 PolarHBondContact CE1-OE1 2.93Å; H67-E166 IonicContact CG-OE1 3.94Å; H67-E166 IonicContact ND1-OE1 2.73Å; H67-E166 PolarHBondContact ND1-OE1 2.98Å; H67-E166 IonicContact NE2-OE1 3.92Å; E166-C169 WeakPolarHBondContact O-CA 3.22Å; E166-C169 WeakPolarHBondContact O-CB 3.43Å; E166-C169 PolarHBondContact O-N 2.93Å; E166-C169 PolarHBondContact O-SG 3.5Å
167	V	94.2	Very high	93.3	Very high	121 Å²	121	64.5 Å²	64.5	73%	0.733	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	132.4	175.6	179.7	0	0	0	0	108.8	V63	V63-V167 WeakPolarHBondContact CG2-O 3.39Å
168	P	95.3	Very high	93.8	Very high	52 Å²	52	61.3 Å²	61.3	34%	0.338	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	cis	-99.5	26.6	18.4	39.5	-37.8	0	0	0	115.6	Q57	Q57-P168 VanDerWaalsContact CG-O 3.31Å; Q57-P168 WeakPolarHBondContact CG-O 3.41Å
169	C	95	Very high	94	Very high	18 Å²	18	65.9 Å²	65.9	12%	0.122	35%	0.349	C	S	.	.			trans	-67.9	134.9	179.2	-52.2	0	0	0	0	111	C60 C64 E166 N171 V173	C60-C169 VanDerWaalsContact CA-SG 3.56Å; C60-C169 HydrophobicContact CB-CB 4.1Å; C60-C169 WeakPolarHBondContact CB-SG 3.43Å; C60-C169 WeakPolarHBondContact SG-CB 3.39Å; C60-C169 CovalentContact SG-SG 2.03Å; C60-C169 PolarHBondContact SG-SG 3.2Å; C64-C169 PolarHBondContact SG-SG 3.14Å; E166-C169 WeakPolarHBondContact O-CA 3.22Å; E166-C169 WeakPolarHBondContact O-CB 3.43Å; E166-C169 PolarHBondContact O-N 2.93Å; E166-C169 PolarHBondContact O-SG 3.5Å; C169-N171 VanDerWaalsContact C-N 3.35Å; C169-N171 PolarHBondContact O-N 2.99Å; C169-V173 HydrophobicContact CB-CG1 4.43Å; C169-V173 HydrophobicContact CB-CG2 4.4Å
170	P	93.3	Very high	94.1	Very high	80 Å²	80	64 Å²	64	52%	0.519	34%	0.337	S	S	.	.	S	Bend	trans	-71.6	-28.2	-172	27	-34.8	0	0	0	113.6
171	N	94	Very high	94.3	Very high	123 Å²	123	65 Å²	65	66%	0.658	34%	0.34	S	S	*	.	S	Bend	trans	-152.3	-173.6	179	-72.2	-62	0	0	0	108.2	C169 V173	C169-N171 VanDerWaalsContact C-N 3.35Å; C169-N171 PolarHBondContact O-N 2.99Å; N171-V173 PolarHBondContact O-N 3.23Å; N171-V173 VanDerWaalsContact O-N 3.16Å
172	T	95.6	Very high	94.2	Very high	78 Å²	78	65.7 Å²	65.7	48%	0.479	34%	0.342	S	S	.	.			trans	-63.2	115.5	166.9	-50.9	0	0	0	0	109.8	K163 C164	K163-T172 HydrophobicContact CB-CG2 3.78Å; K163-T172 HydrophobicContact CD-CG2 4.22Å; K163-T172 HydrophobicContact CG-CG2 4.48Å; C164-T172 CarbonylContact O-C 3.59Å; C164-T172 VanDerWaalsContact O-CA 3.29Å; C164-T172 WeakPolarHBondContact O-CA 3.43Å
173	V	96.4	Very high	94.1	Very high	11 Å²	11	65 Å²	65	7%	0.067	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	146.3	177.9	-62.1	0	0	0	0	110.3	C53 T55 C164 C169 N171	C53-V173 HydrophobicContact CB-CG2 4.5Å; T55-V173 HydrophobicContact CG2-CG1 4.26Å; C164-V173 HydrophobicContact CB-CG2 3.95Å; C164-V173 PolarHBondContact N-O 3.48Å; C164-V173 PolarHBondContact O-N 3.09Å; C169-V173 HydrophobicContact CB-CG1 4.43Å; C169-V173 HydrophobicContact CB-CG2 4.4Å; N171-V173 PolarHBondContact O-N 3.23Å; N171-V173 VanDerWaalsContact O-N 3.16Å
174	D	96.4	Very high	93.9	Very high	52 Å²	52	62.9 Å²	62.9	28%	0.278	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.4	173.6	-67	-31	0	0	0	109.3	C53 N54 L161 K163	C53-D174 CarbonylContact C-O 3.5Å; C53-D174 WeakPolarHBondContact CA-O 3.27Å; N54-D174 PolarHBondContact N-O 3.16Å; L161-D174 HydrophobicContact CD1-CB 3.83Å; L161-D174 HydrophobicContact CG-CB 4.35Å; K163-D174 WeakPolarHBondContact CE-OD1 3.42Å
175	C	95.7	Very high	93.7	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.4	175	-54.6	0	0	0	0	110.9	F51 K52 C53 L161 I162	F51-C175 HydrophobicContact CE1-CB 4.09Å; F51-C175 HydrophobicContact CE2-CB 3.74Å; F51-C175 HydrophobicContact CZ-CB 3.35Å; K52-C175 CarbonylContact O-C 3.48Å; K52-C175 VanDerWaalsContact O-CA 3.28Å; K52-C175 WeakPolarHBondContact O-CA 3.45Å; C53-C175 HydrophobicContact CB-CB 4.07Å; C53-C175 WeakPolarHBondContact CB-SG 3.46Å; C53-C175 WeakPolarHBondContact SG-CB 3.28Å; C53-C175 CovalentContact SG-SG 2.05Å; C53-C175 PolarHBondContact SG-SG 3.4Å; L161-C175 WeakPolarHBondContact CA-O 3.23Å; I162-C175 HydrophobicContact CD1-CB 4.32Å; I162-C175 HydrophobicContact CG1-CB 4.04Å; I162-C175 WeakPolarHBondContact CG1-O 3.32Å; I162-C175 PolarHBondContact N-O 3.02Å; I162-C175 PolarHBondContact O-N 3.26Å
176	F	94.8	Very high	93.4	Very high	102 Å²	102	62.7 Å²	62.7	45%	0.447	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131	-176.4	-61.6	-88.1	0	0	0	110.3	F51 K52 S160 L161	F51-F176 VanDerWaalsContact CD2-O 3.27Å; F51-F176 WeakPolarHBondContact CD2-O 3.41Å; K52-F176 PolarHBondContact N-O 2.91Å; K52-F176 PolarHBondContact O-N 3.21Å; S160-F176 WeakPolarHBondContact O-CA 3.31Å; L161-F176 HydrophobicContact CB-CD1 4.46Å; L161-F176 HydrophobicContact CB-CE1 4.43Å; L161-F176 HydrophobicContact CD1-CD1 4.39Å; L161-F176 HydrophobicContact CD1-CE1 3.68Å; L161-F176 HydrophobicContact CD1-CZ 3.82Å
177	I	92.6	Very high	93.2	Very high	14 Å²	14	59.1 Å²	59.1	7%	0.072	32%	0.315	C	S	.	.			trans	-90.7	133.2	178.4	-64.5	163.2	0	0	0	108.9	F51 F69 P159 S160 I162 P180 K183	F51-I177 HydrophobicContact CD2-CG1 4.31Å; F51-I177 HydrophobicContact CE2-CG1 4.07Å; F69-I177 HydrophobicContact CE2-CD1 4.14Å; F69-I177 HydrophobicContact CE2-CG1 4.05Å; F69-I177 HydrophobicContact CZ-CD1 3.69Å; F69-I177 HydrophobicContact CZ-CG1 3.91Å; F69-I177 HydrophobicContact CZ-CG2 4.16Å; P159-I177 WeakPolarHBondContact O-CD1 3.5Å; S160-I177 PolarHBondContact O-N 3.39Å; I162-I177 HydrophobicContact CD1-CD1 4.33Å; I162-I177 HydrophobicContact CD1-CG1 4.47Å; I162-I177 HydrophobicContact CG1-CD1 4.14Å; I162-I177 HydrophobicContact CG1-CG1 4.3Å; I162-I177 HydrophobicContact CG2-CD1 3.87Å; I177-P180 WeakPolarHBondContact O-CD 3.35Å; I177-K183 HydrophobicContact CG2-CD 4.45Å
178	S	90.9	Very high	93	Very high	21 Å²	21	58.2 Å²	58.2	15%	0.147	31%	0.306	C	S	.	.	S	Bend	trans	-70.8	134.1	174.6	-175.5	0	0	0	0	111.5	D50 K183	D50-S178 VanDerWaalsContact CB-CB 3.47Å; D50-S178 WeakPolarHBondContact CB-OG 3.27Å; S178-K183 WeakPolarHBondContact O-CE 3.38Å; S178-K183 PolarHBondContact O-NZ 3.05Å
179	R	91.6	Very high	92.8	Very high	108 Å²	108	59.3 Å²	59.3	41%	0.408	31%	0.305	S	S	.	.	S	Bend	trans	49.1	52.3	173	-56.5	157.8	-176.7	-106.4	7	114.4	T181 E182 K183	R179-T181 VanDerWaalsContact C-N 3.3Å; R179-T181 PolarHBondContact O-N 3.24Å; R179-E182 HydrophobicContact CB-CB 4.11Å; R179-E182 HydrophobicContact CB-CG 4.29Å; R179-E182 VanDerWaalsContact CD-OE2 3.32Å; R179-E182 WeakPolarHBondContact CD-OE2 3.49Å; R179-E182 IonicContact NH1-OE1 3.91Å; R179-E182 IonicContact NH1-OE2 3.03Å; R179-E182 PolarHBondContact NH1-OE2 3.44Å; R179-E182 VanDerWaalsContact NH1-OE2 3.08Å; R179-E182 PolarHBondContact O-N 3.06Å; R179-K183 WeakPolarHBondContact O-CG 3.19Å; R179-K183 PolarHBondContact O-N 3.17Å
180	P	91.7	Very high	92.5	Very high	26 Å²	26	58.5 Å²	58.5	17%	0.169	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-38.5	-174.8	24.5	-33.2	0	0	0	112.6	F158 I177 K183 K184	F158-P180 HydrophobicContact CB-CB 4.03Å; F158-P180 VanDerWaalsContact O-CB 3.31Å; F158-P180 WeakPolarHBondContact O-CB 3.27Å; I177-P180 WeakPolarHBondContact O-CD 3.35Å; P180-K183 PolarHBondContact O-N 3.39Å; P180-K184 WeakPolarHBondContact O-CB 3.49Å; P180-K184 PolarHBondContact O-N 3.39Å
181	T	91.8	Very high	92.4	Very high	99 Å²	99	55 Å²	55	61%	0.607	28%	0.277	S	S	*	.	H	α-helix	trans	-67.7	-44.1	179	50.3	0	0	0	0	112.5	R179 K184 I185	R179-T181 VanDerWaalsContact C-N 3.3Å; R179-T181 PolarHBondContact O-N 3.24Å; T181-K184 PolarHBondContact O-N 3.29Å; T181-I185 VanDerWaalsContact O-CG1 3.3Å; T181-I185 WeakPolarHBondContact O-CG1 3.22Å; T181-I185 PolarHBondContact O-N 2.92Å
182	E	91.3	Very high	92.3	Very high	75 Å²	75	52.7 Å²	52.7	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-49.2	175.1	-62.6	-178.8	176.4	0	0	110.1	V43 R179 K184 I185 F186	V43-E182 HydrophobicContact CG1-CB 4.29Å; R179-E182 HydrophobicContact CB-CB 4.11Å; R179-E182 HydrophobicContact CB-CG 4.29Å; R179-E182 VanDerWaalsContact CD-OE2 3.32Å; R179-E182 WeakPolarHBondContact CD-OE2 3.49Å; R179-E182 IonicContact NH1-OE1 3.91Å; R179-E182 IonicContact NH1-OE2 3.03Å; R179-E182 PolarHBondContact NH1-OE2 3.44Å; R179-E182 VanDerWaalsContact NH1-OE2 3.08Å; R179-E182 PolarHBondContact O-N 3.06Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 3Å; E182-I185 PolarHBondContact O-N 3.41Å; E182-I185 VanDerWaalsContact O-N 3.15Å; E182-F186 WeakPolarHBondContact O-CD2 3.29Å; E182-F186 PolarHBondContact O-N 3.47Å
183	K	91.6	Very high	92	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-56.8	-42.5	178	-71.7	-179.7	-179.6	-178.5	0	112.3	V43 W44 E47 F158 I177 S178 R179 P180 T187	V43-K183 HydrophobicContact CG1-CG 3.55Å; W44-K183 HydrophobicContact CD2-CG 4.5Å; W44-K183 HydrophobicContact CH2-CB 3.96Å; W44-K183 HydrophobicContact CH2-CG 3.99Å; W44-K183 HydrophobicContact CZ2-CB 3.71Å; W44-K183 HydrophobicContact CZ2-CD 4.29Å; W44-K183 HydrophobicContact CZ2-CG 3.63Å; E47-K183 VanDerWaalsContact CG-NZ 3.34Å; E47-K183 IonicContact OE1-NZ 2.99Å; E47-K183 PolarHBondContact OE1-NZ 2.56Å; F158-K183 HydrophobicContact CD1-CB 4.05Å; F158-K183 HydrophobicContact CD1-CD 4.19Å; F158-K183 HydrophobicContact CD2-CB 4.29Å; F158-K183 HydrophobicContact CE1-CB 3.97Å; F158-K183 HydrophobicContact CE1-CD 4.06Å; F158-K183 HydrophobicContact CE2-CB 4.22Å; F158-K183 HydrophobicContact CG-CB 4.17Å; F158-K183 HydrophobicContact CZ-CB 4.02Å; I177-K183 HydrophobicContact CG2-CD 4.45Å; S178-K183 WeakPolarHBondContact O-CE 3.38Å; S178-K183 PolarHBondContact O-NZ 3.05Å; R179-K183 WeakPolarHBondContact O-CG 3.19Å; R179-K183 PolarHBondContact O-N 3.17Å; P180-K183 PolarHBondContact O-N 3.39Å; K183-T187 VanDerWaalsContact O-CB 3.29Å; K183-T187 WeakPolarHBondContact O-CB 2.93Å; K183-T187 PolarHBondContact O-N 3.48Å; K183-T187 PolarHBondContact O-OG1 3.15Å
184	K	91.2	Very high	91.8	Very high	94 Å²	94	49.2 Å²	49.2	41%	0.409	25%	0.246	S	C	.	.	H	α-helix	trans	-62.5	-45.5	176.3	-174.4	171.6	-178.2	165.1	0	112.3	D157 F158 P180 T181 E182 T187 L188	D157-K184 IonicContact OD1-NZ 3.66Å; D157-K184 PolarHBondContact OD1-NZ 3.48Å; D157-K184 IonicContact OD2-NZ 3.36Å; F158-K184 HydrophobicContact CD2-CB 4.05Å; P180-K184 WeakPolarHBondContact O-CB 3.49Å; P180-K184 PolarHBondContact O-N 3.39Å; T181-K184 PolarHBondContact O-N 3.29Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 3Å; K184-T187 PolarHBondContact O-N 3.23Å; K184-L188 WeakPolarHBondContact O-CB 3.41Å; K184-L188 PolarHBondContact O-N 3.1Å
185	I	91.7	Very high	91.5	Very high	117 Å²	117	51 Å²	51	60%	0.6	26%	0.255	S	S	*	.	H	α-helix	trans	-62.1	-48	179.2	-68.1	164.2	0	0	0	110.9	T181 E182 T187 L188 F189	T181-I185 VanDerWaalsContact O-CG1 3.3Å; T181-I185 WeakPolarHBondContact O-CG1 3.22Å; T181-I185 PolarHBondContact O-N 2.92Å; E182-I185 PolarHBondContact O-N 3.41Å; E182-I185 VanDerWaalsContact O-N 3.15Å; I185-T187 VanDerWaalsContact C-N 3.33Å; I185-T187 PolarHBondContact O-N 3.46Å; I185-L188 PolarHBondContact O-N 3.47Å; I185-F189 PolarHBondContact O-N 3.15Å
186	F	91.2	Very high	91.3	Very high	49 Å²	49	53.9 Å²	53.9	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-40.2	177.9	-79	-69.1	0	0	0	112.1	V35 A39 V43 W44 W77 E182 F189 M190	V35-F186 HydrophobicContact CG1-CD1 3.71Å; V35-F186 HydrophobicContact CG1-CE1 4.1Å; A39-F186 HydrophobicContact CB-CD1 4Å; A39-F186 HydrophobicContact CB-CE1 4.39Å; A39-F186 HydrophobicContact CB-CG 4.19Å; V43-F186 HydrophobicContact CG1-CD2 4.42Å; V43-F186 HydrophobicContact CG2-CD2 3.78Å; V43-F186 HydrophobicContact CG2-CE2 3.49Å; V43-F186 VanDerWaalsContact CG2-CE2 3.49Å; V43-F186 HydrophobicContact CG2-CZ 4.31Å; W44-F186 HydrophobicContact CH2-CB 3.74Å; W44-F186 HydrophobicContact CZ3-CB 3.76Å; W44-F186 HydrophobicContact CZ3-CD2 4.3Å; W44-F186 HydrophobicContact CZ3-CG 4.2Å; W77-F186 HydrophobicContact CH2-CB 4.49Å; E182-F186 WeakPolarHBondContact O-CD2 3.29Å; E182-F186 PolarHBondContact O-N 3.47Å; F186-F189 PolarHBondContact O-N 3.37Å; F186-M190 VanDerWaalsContact O-CG 3.31Å; F186-M190 WeakPolarHBondContact O-CG 2.95Å; F186-M190 PolarHBondContact O-N 3.44Å
187	T	90.8	Very high	91	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-46.1	176.8	-59.1	0	0	0	0	111.6	W77 Y156 F158 K183 K184 I185 F189 M190 V191	W77-T187 WeakPolarHBondContact CH2-OG1 3.43Å; W77-T187 HydrophobicContact CZ2-CG2 4.07Å; W77-T187 WeakPolarHBondContact CZ2-OG1 3.4Å; Y156-T187 HydrophobicContact CD1-CG2 4.06Å; F158-T187 HydrophobicContact CE2-CG2 4.3Å; F158-T187 WeakPolarHBondContact CE2-OG1 3.41Å; K183-T187 VanDerWaalsContact O-CB 3.29Å; K183-T187 WeakPolarHBondContact O-CB 2.93Å; K183-T187 PolarHBondContact O-N 3.48Å; K183-T187 PolarHBondContact O-OG1 3.15Å; K184-T187 PolarHBondContact O-N 3.23Å; I185-T187 VanDerWaalsContact C-N 3.33Å; I185-T187 PolarHBondContact O-N 3.46Å; T187-F189 VanDerWaalsContact C-N 3.34Å; T187-F189 PolarHBondContact O-N 3.33Å; T187-M190 PolarHBondContact O-N 3.5Å; T187-V191 HydrophobicContact CG2-CG2 4.47Å; T187-V191 WeakPolarHBondContact O-CG2 3.4Å; T187-V191 PolarHBondContact O-N 3.39Å
188	L	90.7	Very high	91	Very high	102 Å²	102	49.1 Å²	49.1	53%	0.534	25%	0.252	S	S	.	.	H	α-helix	trans	-59.8	-44.3	176.5	-177.7	65.4	0	0	0	111.5	K184 I185 M190 V191 V192	K184-L188 WeakPolarHBondContact O-CB 3.41Å; K184-L188 PolarHBondContact O-N 3.1Å; I185-L188 PolarHBondContact O-N 3.47Å; L188-M190 PolarHBondContact O-N 3.17Å; L188-V191 PolarHBondContact O-N 3.11Å; L188-V192 HydrophobicContact CD1-CG2 4.16Å; L188-V192 HydrophobicContact CG-CG2 4.33Å; L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 VanDerWaalsContact O-CG2 3.28Å; L188-V192 WeakPolarHBondContact O-CG2 3.46Å; L188-V192 PolarHBondContact O-N 3.32Å
189	F	90.3	Very high	91	Very high	75 Å²	75	52.5 Å²	52.5	33%	0.329	27%	0.268	S	S	.	.	H	α-helix	trans	-59.4	-45.5	176.8	-177.4	-88.8	0	0	0	111.9	F31 V35 I185 F186 T187 V191 V192 T193	F31-F189 HydrophobicContact CB-CZ 4.28Å; F31-F189 HydrophobicContact CD1-CZ 4.49Å; V35-F189 HydrophobicContact CB-CD1 4.17Å; V35-F189 HydrophobicContact CB-CE1 3.97Å; V35-F189 HydrophobicContact CG1-CD1 3.79Å; V35-F189 HydrophobicContact CG1-CE1 4.12Å; V35-F189 HydrophobicContact CG2-CD1 3.98Å; V35-F189 HydrophobicContact CG2-CE1 3.51Å; V35-F189 HydrophobicContact CG2-CZ 4.07Å; I185-F189 PolarHBondContact O-N 3.15Å; F186-F189 PolarHBondContact O-N 3.37Å; T187-F189 VanDerWaalsContact C-N 3.34Å; T187-F189 PolarHBondContact O-N 3.33Å; F189-V191 PolarHBondContact O-N 2.72Å; F189-V192 PolarHBondContact O-N 3.01Å; F189-T193 HydrophobicContact CD1-CG2 4.12Å; F189-T193 HydrophobicContact CE1-CG2 3.69Å; F189-T193 HydrophobicContact CE2-CG2 4.25Å; F189-T193 HydrophobicContact CZ-CG2 3.77Å; F189-T193 WeakPolarHBondContact O-CB 3.22Å; F189-T193 WeakPolarHBondContact O-CG2 3.36Å; F189-T193 PolarHBondContact O-N 3.45Å; F189-T193 PolarHBondContact O-OG1 3.5Å
190	M	89.3	Confident	90.9	Very high	2 Å²	2	49 Å²	49	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-38.1	178.3	-70.6	-65.9	-78.1	0	0	112.3	R32 V35 W77 F186 T187 L188 T193 S194	R32-M190 HydrophobicContact CG-CE 3.87Å; R32-M190 HydrophobicContact CG-SD 3.86Å; V35-M190 HydrophobicContact CG1-SD 4.24Å; W77-M190 HydrophobicContact CB-CE 3.87Å; W77-M190 HydrophobicContact CD2-CB 4.43Å; W77-M190 HydrophobicContact CD2-CE 4Å; W77-M190 HydrophobicContact CD2-CG 4.11Å; W77-M190 HydrophobicContact CE3-CE 4.3Å; W77-M190 HydrophobicContact CE3-CG 4.21Å; W77-M190 HydrophobicContact CG-CE 3.8Å; W77-M190 HydrophobicContact CH2-CG 4.32Å; W77-M190 HydrophobicContact CZ2-CB 4.21Å; W77-M190 HydrophobicContact CZ2-CG 4.24Å; W77-M190 HydrophobicContact CZ3-CG 4.3Å; F186-M190 VanDerWaalsContact O-CG 3.31Å; F186-M190 WeakPolarHBondContact O-CG 2.95Å; F186-M190 PolarHBondContact O-N 3.44Å; T187-M190 PolarHBondContact O-N 3.5Å; L188-M190 PolarHBondContact O-N 3.17Å; M190-T193 WeakPolarHBondContact CA-OG1 3.23Å; M190-T193 PolarHBondContact O-OG1 3.01Å; M190-T193 VanDerWaalsContact O-OG1 3.06Å; M190-S194 WeakPolarHBondContact O-CB 3.38Å; M190-S194 PolarHBondContact O-N 3.24Å; M190-S194 PolarHBondContact O-OG 2.95Å
191	V	91.4	Very high	90.7	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.042	25%	0.25	C	S	.	.	H	α-helix	trans	-68	-49.9	176	171.7	0	0	0	0	111	V146 Y156 T187 L188 F189 T193 S194 L195	V146-V191 HydrophobicContact CG1-CG1 4.46Å; Y156-V191 HydrophobicContact CD1-CG2 3.92Å; Y156-V191 HydrophobicContact CE1-CG1 4.48Å; Y156-V191 HydrophobicContact CE1-CG2 3.49Å; Y156-V191 VanDerWaalsContact CE1-CG2 3.49Å; Y156-V191 HydrophobicContact CE2-CG1 4.23Å; T187-V191 HydrophobicContact CG2-CG2 4.47Å; T187-V191 WeakPolarHBondContact O-CG2 3.4Å; T187-V191 PolarHBondContact O-N 3.39Å; L188-V191 PolarHBondContact O-N 3.11Å; F189-V191 PolarHBondContact O-N 2.72Å; V191-T193 PolarHBondContact O-N 3.49Å; V191-S194 WeakPolarHBondContact O-CB 3.33Å; V191-S194 PolarHBondContact O-N 3.48Å; V191-S194 VanDerWaalsContact O-N 3.11Å; V191-L195 HydrophobicContact CG1-CD1 4.22Å; V191-L195 HydrophobicContact CG1-CG 4.5Å; V191-L195 WeakPolarHBondContact O-CG 3.47Å; V191-L195 PolarHBondContact O-N 3.5Å
192	V	91.6	Very high	90.7	Very high	73 Å²	73	46.5 Å²	46.5	44%	0.442	24%	0.239	S	C	.	.	H	α-helix	trans	-59.1	-46.6	179.7	170.3	0	0	0	0	111.1	L188 F189 S194 L195 V196	L188-V192 HydrophobicContact CD1-CG2 4.16Å; L188-V192 HydrophobicContact CG-CG2 4.33Å; L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 VanDerWaalsContact O-CG2 3.28Å; L188-V192 WeakPolarHBondContact O-CG2 3.46Å; L188-V192 PolarHBondContact O-N 3.32Å; F189-V192 PolarHBondContact O-N 3.01Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 2.86Å; V192-L195 PolarHBondContact O-N 3.06Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 3.3Å
193	T	89.7	Confident	90.7	Very high	16 Å²	16	48.9 Å²	48.9	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-36.1	177.1	52.2	0	0	0	0	112.3	F189 M190 V191 V196 C197	F189-T193 HydrophobicContact CD1-CG2 4.12Å; F189-T193 HydrophobicContact CE1-CG2 3.69Å; F189-T193 HydrophobicContact CE2-CG2 4.25Å; F189-T193 HydrophobicContact CZ-CG2 3.77Å; F189-T193 WeakPolarHBondContact O-CB 3.22Å; F189-T193 WeakPolarHBondContact O-CG2 3.36Å; F189-T193 PolarHBondContact O-N 3.45Å; F189-T193 PolarHBondContact O-OG1 3.5Å; M190-T193 WeakPolarHBondContact CA-OG1 3.23Å; M190-T193 PolarHBondContact O-OG1 3.01Å; M190-T193 VanDerWaalsContact O-OG1 3.06Å; V191-T193 PolarHBondContact O-N 3.49Å; T193-V196 PolarHBondContact O-N 3.01Å; T193-C197 PolarHBondContact O-N 3.24Å; T193-C197 PolarHBondContact O-SG 3.44Å
194	S	90.9	Very high	90.5	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-43.7	173.5	-58	0	0	0	0	112	R32 Q80 M190 V191 V192 V196 C197 V198	R32-S194 PolarHBondContact NH2-OG 3.18Å; Q80-S194 PolarHBondContact NE2-OG 3.32Å; M190-S194 WeakPolarHBondContact O-CB 3.38Å; M190-S194 PolarHBondContact O-N 3.24Å; M190-S194 PolarHBondContact O-OG 2.95Å; V191-S194 WeakPolarHBondContact O-CB 3.33Å; V191-S194 PolarHBondContact O-N 3.48Å; V191-S194 VanDerWaalsContact O-N 3.11Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 2.86Å; S194-V196 PolarHBondContact O-N 3.4Å; S194-C197 WeakPolarHBondContact O-CB 3.2Å; S194-C197 PolarHBondContact O-N 3.42Å; S194-C197 VanDerWaalsContact O-N 3.15Å; S194-V198 WeakPolarHBondContact O-CG2 3.01Å; S194-V198 PolarHBondContact O-N 3.01Å
195	L	91.8	Very high	90.4	Very high	89 Å²	89	46 Å²	46	47%	0.466	24%	0.237	S	C	.	.	H	α-helix	trans	-61.9	-43.1	176.2	-67.6	174.2	0	0	0	111.7	V146 V191 V192 C197 V198 L199	V146-L195 HydrophobicContact CG1-CD2 4.43Å; V191-L195 HydrophobicContact CG1-CD1 4.22Å; V191-L195 HydrophobicContact CG1-CG 4.5Å; V191-L195 WeakPolarHBondContact O-CG 3.47Å; V191-L195 PolarHBondContact O-N 3.5Å; V192-L195 PolarHBondContact O-N 3.06Å; L195-C197 VanDerWaalsContact C-N 3.3Å; L195-C197 PolarHBondContact O-N 3.3Å; L195-V198 PolarHBondContact O-N 3.04Å; L195-L199 WeakPolarHBondContact O-CG 3.05Å; L195-L199 PolarHBondContact O-N 3.08Å
196	V	90.6	Very high	90.3	Very high	60 Å²	60	44.9 Å²	44.9	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-41.5	173.7	172.7	0	0	0	0	111	I27 V192 T193 S194 V198 L199 L200	I27-V196 HydrophobicContact CD1-CG1 4.48Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 3.3Å; T193-V196 PolarHBondContact O-N 3.01Å; S194-V196 PolarHBondContact O-N 3.4Å; V196-V198 PolarHBondContact O-N 2.54Å; V196-L199 PolarHBondContact O-N 3.43Å; V196-L200 HydrophobicContact CG1-CD1 4.02Å; V196-L200 HydrophobicContact CG1-CG 4.34Å; V196-L200 WeakPolarHBondContact O-CG 3.26Å; V196-L200 PolarHBondContact O-N 3.07Å
197	C	88.9	Confident	90.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-39.6	176.7	-68.9	0	0	0	0	112.6	V28 T193 S194 L195 S201	V28-C197 WeakPolarHBondContact CG2-SG 3.48Å; T193-C197 PolarHBondContact O-N 3.24Å; T193-C197 PolarHBondContact O-SG 3.44Å; S194-C197 WeakPolarHBondContact O-CB 3.2Å; S194-C197 PolarHBondContact O-N 3.42Å; S194-C197 VanDerWaalsContact O-N 3.15Å; L195-C197 VanDerWaalsContact C-N 3.3Å; L195-C197 PolarHBondContact O-N 3.3Å; C197-S201 WeakPolarHBondContact O-CB 3.21Å; C197-S201 PolarHBondContact O-N 2.92Å; C197-S201 PolarHBondContact O-OG 2.86Å
198	V	91.7	Very high	89.8	Confident	16 Å²	16	48.7 Å²	48.7	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-48.8	174.2	169.8	0	0	0	0	110.3	I139 D142 V143 S194 L195 V196 L200 S201 I202	I139-V198 HydrophobicContact CG2-CG1 4.25Å; D142-V198 HydrophobicContact CB-CG2 3.58Å; V143-V198 HydrophobicContact CG2-CG1 4.29Å; V143-V198 HydrophobicContact CG2-CG2 4.18Å; S194-V198 WeakPolarHBondContact O-CG2 3.01Å; S194-V198 PolarHBondContact O-N 3.01Å; L195-V198 PolarHBondContact O-N 3.04Å; V196-V198 PolarHBondContact O-N 2.54Å; V198-L200 PolarHBondContact O-N 2.62Å; V198-S201 WeakPolarHBondContact O-CB 3.43Å; V198-S201 PolarHBondContact O-N 3.46Å; V198-I202 HydrophobicContact CG1-CD1 3.81Å; V198-I202 HydrophobicContact CG1-CG1 4.47Å; V198-I202 WeakPolarHBondContact O-CG1 3.33Å; V198-I202 PolarHBondContact O-N 2.97Å
199	L	91.6	Very high	89.5	Confident	93 Å²	93	46.5 Å²	46.5	49%	0.487	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-46.5	178.9	-68.8	174.3	0	0	0	112.2	L195 V196 S201 I202 F203	L195-L199 WeakPolarHBondContact O-CG 3.05Å; L195-L199 PolarHBondContact O-N 3.08Å; V196-L199 PolarHBondContact O-N 3.43Å; L199-S201 VanDerWaalsContact C-N 3.29Å; L199-S201 PolarHBondContact O-N 3.45Å; L199-I202 PolarHBondContact O-N 2.81Å; L199-F203 HydrophobicContact CB-CE2 4.45Å; L199-F203 VanDerWaalsContact O-CD2 3.31Å; L199-F203 WeakPolarHBondContact O-CD2 3.44Å; L199-F203 WeakPolarHBondContact O-CG 3.3Å; L199-F203 PolarHBondContact O-N 2.88Å
200	L	88.3	Confident	89.3	Confident	35 Å²	35	44.6 Å²	44.6	18%	0.183	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-39.6	176.3	-71.2	174.8	0	0	0	111.9	V23 I27 V196 V198 F203 E204	V23-L200 HydrophobicContact CG1-CD1 4.44Å; I27-L200 HydrophobicContact CD1-CD1 3.7Å; V196-L200 HydrophobicContact CG1-CD1 4.02Å; V196-L200 HydrophobicContact CG1-CG 4.34Å; V196-L200 WeakPolarHBondContact O-CG 3.26Å; V196-L200 PolarHBondContact O-N 3.07Å; V198-L200 PolarHBondContact O-N 2.62Å; L200-F203 PolarHBondContact O-N 3.2Å; L200-E204 PolarHBondContact O-N 2.86Å
201	S	89.1	Confident	89	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-40.2	177.3	-57.7	0	0	0	0	111.6	C197 V198 L199 E204 I205	C197-S201 WeakPolarHBondContact O-CB 3.21Å; C197-S201 PolarHBondContact O-N 2.92Å; C197-S201 PolarHBondContact O-OG 2.86Å; V198-S201 WeakPolarHBondContact O-CB 3.43Å; V198-S201 PolarHBondContact O-N 3.46Å; L199-S201 VanDerWaalsContact C-N 3.29Å; L199-S201 PolarHBondContact O-N 3.45Å; S201-E204 PolarHBondContact O-N 3.48Å; S201-I205 WeakPolarHBondContact O-CG1 3.27Å; S201-I205 PolarHBondContact O-N 3.3Å
202	I	91.3	Very high	88.4	Confident	70 Å²	70	54.1 Å²	54.1	36%	0.359	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-48.5	174.6	-68.3	167.1	0	0	0	110.4	I139 V198 L199 E204 I205 V206	I139-I202 HydrophobicContact CD1-CG1 3.82Å; V198-I202 HydrophobicContact CG1-CD1 3.81Å; V198-I202 HydrophobicContact CG1-CG1 4.47Å; V198-I202 WeakPolarHBondContact O-CG1 3.33Å; V198-I202 PolarHBondContact O-N 2.97Å; L199-I202 PolarHBondContact O-N 2.81Å; I202-E204 VanDerWaalsContact C-N 3.26Å; I202-E204 PolarHBondContact O-N 3.38Å; I202-I205 PolarHBondContact O-N 3.48Å; I202-I205 VanDerWaalsContact O-N 3.13Å; I202-V206 HydrophobicContact CG2-CG2 4.35Å; I202-V206 WeakPolarHBondContact O-CG2 3.19Å; I202-V206 PolarHBondContact O-N 2.98Å
203	F	90.3	Very high	88	Confident	125 Å²	125	55.9 Å²	55.9	55%	0.548	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-37.3	178	-67.9	-36.9	0	0	0	112.4	L199 L200 V206 Y207	L199-F203 HydrophobicContact CB-CE2 4.45Å; L199-F203 VanDerWaalsContact O-CD2 3.31Å; L199-F203 WeakPolarHBondContact O-CD2 3.44Å; L199-F203 WeakPolarHBondContact O-CG 3.3Å; L199-F203 PolarHBondContact O-N 2.88Å; L200-F203 PolarHBondContact O-N 3.2Å; F203-V206 PolarHBondContact O-N 2.91Å; F203-Y207 WeakPolarHBondContact O-CB 3.22Å; F203-Y207 PolarHBondContact O-N 3.02Å
204	E	88.1	Confident	87.7	Confident	7 Å²	7	61.3 Å²	61.3	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-41.5	175.3	-174.9	163.8	-162.4	0	0	112.6	T18 K123 Y131 L135 L200 S201 I202 Y207 L208	T18-E204 PolarHBondContact OG1-OE1 3.18Å; K123-E204 IonicContact NZ-OE1 2.69Å; Y131-E204 HydrophobicContact CE1-CG 4.28Å; Y131-E204 WeakPolarHBondContact CE1-OE1 3.26Å; Y131-E204 VanDerWaalsContact CZ-OE1 3.31Å; Y131-E204 PolarHBondContact OH-OE1 3.26Å; Y131-E204 PolarHBondContact OH-OE2 3.32Å; L135-E204 HydrophobicContact CD1-CB 4.2Å; L135-E204 HydrophobicContact CD1-CG 3.88Å; L200-E204 PolarHBondContact O-N 2.86Å; S201-E204 PolarHBondContact O-N 3.48Å; I202-E204 VanDerWaalsContact C-N 3.26Å; I202-E204 PolarHBondContact O-N 3.38Å; E204-Y207 PolarHBondContact O-N 2.66Å; E204-L208 HydrophobicContact CG-CD1 4.1Å; E204-L208 HydrophobicContact CG-CG 4.45Å; E204-L208 WeakPolarHBondContact O-CB 3.4Å; E204-L208 VanDerWaalsContact O-CG 3.27Å; E204-L208 WeakPolarHBondContact O-CG 3.11Å; E204-L208 PolarHBondContact O-N 3.24Å
205	I	89.1	Confident	87.1	Confident	27 Å²	27	64.6 Å²	64.6	14%	0.138	33%	0.325	C	S	.	.	H	α-helix	trans	-59.7	-49.1	173.5	-67.3	174.5	0	0	0	110	L135 L136 I139 S201 I202 Y207 L208 V209	L135-I205 HydrophobicContact CB-CD1 3.87Å; L135-I205 HydrophobicContact CB-CG1 3.82Å; L135-I205 HydrophobicContact CD1-CG1 3.71Å; L135-I205 HydrophobicContact CG-CG1 4.45Å; L136-I205 HydrophobicContact CD2-CD1 3.76Å; L136-I205 HydrophobicContact CG-CD1 4.17Å; I139-I205 HydrophobicContact CD1-CD1 3.54Å; S201-I205 WeakPolarHBondContact O-CG1 3.27Å; S201-I205 PolarHBondContact O-N 3.3Å; I202-I205 PolarHBondContact O-N 3.48Å; I202-I205 VanDerWaalsContact O-N 3.13Å; I205-Y207 VanDerWaalsContact C-N 3.34Å; I205-Y207 PolarHBondContact O-N 3.38Å; I205-L208 PolarHBondContact O-N 3.48Å; I205-V209 HydrophobicContact CG2-CG2 4.15Å; I205-V209 WeakPolarHBondContact O-CB 3.38Å; I205-V209 VanDerWaalsContact O-CG2 3.32Å; I205-V209 WeakPolarHBondContact O-CG2 3.29Å; I205-V209 PolarHBondContact O-N 2.89Å
206	V	89.3	Confident	86.4	Confident	94 Å²	94	63.8 Å²	63.8	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-59.5	-44.5	-180	172.7	0	0	0	0	111.1	I202 F203 L208 V209 G210	I202-V206 HydrophobicContact CG2-CG2 4.35Å; I202-V206 WeakPolarHBondContact O-CG2 3.19Å; I202-V206 PolarHBondContact O-N 2.98Å; F203-V206 PolarHBondContact O-N 2.91Å; V206-L208 PolarHBondContact O-N 3.12Å; V206-V209 PolarHBondContact O-N 3.25Å; V206-G210 PolarHBondContact O-N 2.96Å
207	Y	86.8	Confident	85.8	Confident	116 Å²	116	65.5 Å²	65.5	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-60.4	-44.8	176.1	174.3	-98.2	0	0	0	112.1	F203 E204 I205 K211	F203-Y207 WeakPolarHBondContact O-CB 3.22Å; F203-Y207 PolarHBondContact O-N 3.02Å; E204-Y207 PolarHBondContact O-N 2.66Å; I205-Y207 VanDerWaalsContact C-N 3.34Å; I205-Y207 PolarHBondContact O-N 3.38Å; Y207-K211 HydrophobicContact CE1-CD 4.49Å; Y207-K211 VanDerWaalsContact O-CB 3.28Å; Y207-K211 WeakPolarHBondContact O-CB 3.44Å; Y207-K211 PolarHBondContact O-N 2.96Å
208	L	84.3	Confident	85.1	Confident	12 Å²	12	69.2 Å²	69.2	6%	0.063	36%	0.359	C	S	.	.	H	α-helix	trans	-68.8	-39.7	-179.2	-71.9	173.9	0	0	0	112.9	K123 Y131 L135 E204 I205 V206 R212	K123-L208 HydrophobicContact CD-CD2 3.89Å; Y131-L208 HydrophobicContact CD1-CD1 3.43Å; Y131-L208 VanDerWaalsContact CD1-CD1 3.43Å; Y131-L208 HydrophobicContact CE1-CD1 3.43Å; Y131-L208 VanDerWaalsContact CE1-CD1 3.43Å; L135-L208 HydrophobicContact CD1-CD1 4.33Å; E204-L208 HydrophobicContact CG-CD1 4.1Å; E204-L208 HydrophobicContact CG-CG 4.45Å; E204-L208 WeakPolarHBondContact O-CB 3.4Å; E204-L208 VanDerWaalsContact O-CG 3.27Å; E204-L208 WeakPolarHBondContact O-CG 3.11Å; E204-L208 PolarHBondContact O-N 3.24Å; I205-L208 PolarHBondContact O-N 3.48Å; V206-L208 PolarHBondContact O-N 3.12Å; L208-R212 WeakPolarHBondContact O-CB 3.45Å; L208-R212 PolarHBondContact O-N 2.97Å
209	V	85.2	Confident	83.5	Confident	56 Å²	56	70.3 Å²	70.3	34%	0.339	37%	0.374	S	S	.	.	H	α-helix	trans	-68.8	-47.7	175.9	174	0	0	0	0	109.9	W128 I205 V206 K211 R212 L213	W128-V209 HydrophobicContact CZ2-CG2 4.4Å; I205-V209 HydrophobicContact CG2-CG2 4.15Å; I205-V209 WeakPolarHBondContact O-CB 3.38Å; I205-V209 VanDerWaalsContact O-CG2 3.32Å; I205-V209 WeakPolarHBondContact O-CG2 3.29Å; I205-V209 PolarHBondContact O-N 2.89Å; V206-V209 PolarHBondContact O-N 3.25Å; V209-K211 PolarHBondContact O-N 3.23Å; V209-R212 WeakPolarHBondContact O-CB 3.45Å; V209-R212 PolarHBondContact O-N 3.21Å; V209-R212 VanDerWaalsContact O-N 3.07Å; V209-L213 HydrophobicContact CG1-CD1 3.98Å; V209-L213 HydrophobicContact CG1-CG 4.31Å; V209-L213 WeakPolarHBondContact O-CG 3.26Å; V209-L213 PolarHBondContact O-N 3.42Å
210	G	85.3	Confident	81.9	Confident	35 Å²	35	70.9 Å²	70.9	36%	0.361	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-44.9	178.3	0	0	0	0	0	112.8	V206 R212 L213 H214	V206-G210 PolarHBondContact O-N 2.96Å; G210-R212 VanDerWaalsContact C-N 3.29Å; G210-R212 PolarHBondContact O-N 3.3Å; G210-L213 PolarHBondContact O-N 3.49Å; G210-H214 PolarHBondContact O-N 2.82Å
211	K	83.3	Confident	80.1	Confident	105 Å²	105	77.1 Å²	77.1	46%	0.457	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-40.3	174	-176.6	174.7	-178.2	171.9	0	111.9	Y207 V209 H214 E215	Y207-K211 HydrophobicContact CE1-CD 4.49Å; Y207-K211 VanDerWaalsContact O-CB 3.28Å; Y207-K211 WeakPolarHBondContact O-CB 3.44Å; Y207-K211 PolarHBondContact O-N 2.96Å; V209-K211 PolarHBondContact O-N 3.23Å; K211-H214 PolarHBondContact O-N 3.28Å; K211-E215 WeakPolarHBondContact CE-OE1 3.44Å; K211-E215 WeakPolarHBondContact O-CG 3.43Å; K211-E215 PolarHBondContact O-N 3.17Å
212	R	80.1	Confident	78.3	Confident	105 Å²	105	83 Å²	83	40%	0.396	43%	0.431	S	S	.	.	H	α-helix	trans	-68.9	-42.4	179.4	-171.6	165.7	-174.2	160.3	-1.1	112	L208 V209 G210 H214 E215 C216	L208-R212 WeakPolarHBondContact O-CB 3.45Å; L208-R212 PolarHBondContact O-N 2.97Å; V209-R212 WeakPolarHBondContact O-CB 3.45Å; V209-R212 PolarHBondContact O-N 3.21Å; V209-R212 VanDerWaalsContact O-N 3.07Å; G210-R212 VanDerWaalsContact C-N 3.29Å; G210-R212 PolarHBondContact O-N 3.3Å; R212-H214 VanDerWaalsContact C-N 3.34Å; R212-E215 PolarHBondContact O-N 2.85Å; R212-C216 PolarHBondContact O-N 3.34Å; R212-C216 PolarHBondContact O-SG 3.17Å; R212-C216 VanDerWaalsContact O-SG 3.41Å
213	L	82.8	Confident	76.4	Confident	110 Å²	110	83 Å²	83	58%	0.576	44%	0.437	S	S	*	.	H	α-helix	trans	-60.1	-45.2	174.9	-69	172.8	0	0	0	110.9	V209 G210 E215 C216 V217	V209-L213 HydrophobicContact CG1-CD1 3.98Å; V209-L213 HydrophobicContact CG1-CG 4.31Å; V209-L213 WeakPolarHBondContact O-CG 3.26Å; V209-L213 PolarHBondContact O-N 3.42Å; G210-L213 PolarHBondContact O-N 3.49Å; L213-E215 PolarHBondContact O-N 2.68Å; L213-C216 PolarHBondContact O-N 3.2Å; L213-V217 VanDerWaalsContact O-CG2 3.32Å; L213-V217 WeakPolarHBondContact O-CG2 3.08Å; L213-V217 PolarHBondContact O-N 3.07Å
214	H	83.2	Confident	74.5	Confident	130 Å²	130	81.8 Å²	81.8	60%	0.602	44%	0.436	S	S	*	.	H	α-helix	trans	-62.9	-41.5	176.5	-174.8	-88.6	0	0	0	112.8	G210 K211 R212 C216 V217 T218	G210-H214 PolarHBondContact O-N 2.82Å; K211-H214 PolarHBondContact O-N 3.28Å; R212-H214 VanDerWaalsContact C-N 3.34Å; H214-C216 VanDerWaalsContact C-N 3.35Å; H214-C216 PolarHBondContact O-N 3.05Å; H214-V217 PolarHBondContact O-N 3.1Å; H214-T218 WeakPolarHBondContact O-CB 3.46Å; H214-T218 PolarHBondContact O-N 3.46Å; H214-T218 PolarHBondContact O-OG1 3.34Å; H214-T218 VanDerWaalsContact O-OG1 3.09Å
215	E	78.4	Confident	72.5	Confident	70 Å²	70	90.5 Å²	90.5	33%	0.327	47%	0.468	S	S	.	.	H	α-helix	trans	-63.3	-37.9	174.2	-77	-174.8	-160.9	0	0	112.6	R124 K211 R212 L213 G219	R124-E215 IonicContact CZ-OE2 3.72Å; R124-E215 IonicContact NE-OE2 3.99Å; R124-E215 IonicContact NH2-OE2 3.92Å; R124-E215 PolarHBondContact NH2-OE2 3.45Å; K211-E215 WeakPolarHBondContact CE-OE1 3.44Å; K211-E215 WeakPolarHBondContact O-CG 3.43Å; K211-E215 PolarHBondContact O-N 3.17Å; R212-E215 PolarHBondContact O-N 2.85Å; L213-E215 PolarHBondContact O-N 2.68Å; E215-G219 PolarHBondContact O-N 3.42Å
216	C	76.4	Confident	70.4	Confident	72 Å²	72	95.2 Å²	95.2	49%	0.486	49%	0.492	S	S	.	.	H	α-helix	trans	-66.3	-47.7	175.7	-74.3	0	0	0	0	111.8	R212 L213 H214 G219 D220	R212-C216 PolarHBondContact O-N 3.34Å; R212-C216 PolarHBondContact O-SG 3.17Å; R212-C216 VanDerWaalsContact O-SG 3.41Å; L213-C216 PolarHBondContact O-N 3.2Å; H214-C216 VanDerWaalsContact C-N 3.35Å; H214-C216 PolarHBondContact O-N 3.05Å; C216-G219 PolarHBondContact O-N 3Å; C216-D220 PolarHBondContact O-N 2.99Å
217	V	78.7	Confident	68.5	Low	96 Å²	96	94.5 Å²	94.5	58%	0.582	49%	0.487	S	S	*	.	H	α-helix	trans	-63.6	-44.8	-179.4	173.1	0	0	0	0	111.6	L213 H214 G219 D220 F221	L213-V217 VanDerWaalsContact O-CG2 3.32Å; L213-V217 WeakPolarHBondContact O-CG2 3.08Å; L213-V217 PolarHBondContact O-N 3.07Å; H214-V217 PolarHBondContact O-N 3.1Å; V217-G219 VanDerWaalsContact C-N 3.32Å; V217-G219 PolarHBondContact O-N 2.82Å; V217-D220 PolarHBondContact O-N 3.09Å; V217-F221 PolarHBondContact O-N 3.31Å
218	T	73	Confident	66.8	Low	77 Å²	77	94.1 Å²	94.1	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-70.6	-29.6	177.8	-56.7	0	0	0	0	112.1	H214 H222	H214-T218 WeakPolarHBondContact O-CB 3.46Å; H214-T218 PolarHBondContact O-N 3.46Å; H214-T218 PolarHBondContact O-OG1 3.34Å; H214-T218 VanDerWaalsContact O-OG1 3.09Å; T218-H222 PolarHBondContact O-N 3.39Å
219	G	59.7	Low	65.2	Low	39 Å²	39	98 Å²	98	40%	0.402	52%	0.518	S	S	.	.	H	α-helix	trans	-66.2	-44.2	173.2	0	0	0	0	0	113.1	E215 C216 V217 F221 H222 S223	E215-G219 PolarHBondContact O-N 3.42Å; C216-G219 PolarHBondContact O-N 3Å; V217-G219 VanDerWaalsContact C-N 3.32Å; V217-G219 PolarHBondContact O-N 2.82Å; G219-F221 VanDerWaalsContact C-N 3.3Å; G219-F221 PolarHBondContact O-N 3.44Å; G219-H222 PolarHBondContact O-N 2.88Å; G219-S223 PolarHBondContact O-N 3.03Å
220	D	56.7	Low	63.6	Low	106 Å²	106	102 Å²	102	57%	0.567	54%	0.537	S	S	*	.	H	α-helix	trans	-63.4	-36.2	175.2	-85.2	-14.5	0	0	0	111.9	C216 V217 H222 S223 N224	C216-D220 PolarHBondContact O-N 2.99Å; V217-D220 PolarHBondContact O-N 3.09Å; D220-H222 VanDerWaalsContact C-N 3.32Å; D220-H222 PolarHBondContact O-N 3.1Å; D220-S223 PolarHBondContact O-N 3.14Å; D220-N224 WeakPolarHBondContact O-CB 3.41Å; D220-N224 PolarHBondContact O-N 2.99Å
221	F	52.1	Low	62	Low	165 Å²	165	103.9 Å²	103.9	72%	0.724	54%	0.544	S	S	*	.	H	α-helix	trans	-64.1	-35.6	176.4	-135.7	-88.7	0	0	0	112.7	V217 G219 R225	V217-F221 PolarHBondContact O-N 3.31Å; G219-F221 VanDerWaalsContact C-N 3.3Å; G219-F221 PolarHBondContact O-N 3.44Å; F221-R225 WeakPolarHBondContact O-CB 3.37Å; F221-R225 PolarHBondContact O-N 2.96Å
222	H	51.1	Low	60.4	Low	127 Å²	127	102 Å²	102	59%	0.588	54%	0.544	S	S	*	.	H	α-helix	trans	-78.5	-33.2	176.8	-160.1	-66.6	0	0	0	112.5	T218 G219 D220 M226	T218-H222 PolarHBondContact O-N 3.39Å; G219-H222 PolarHBondContact O-N 2.88Å; D220-H222 VanDerWaalsContact C-N 3.32Å; D220-H222 PolarHBondContact O-N 3.1Å; H222-M226 PolarHBondContact O-N 3.47Å
223	S	50.1	Low	59.1	Low	70 Å²	70	98.6 Å²	98.6	49%	0.49	54%	0.542	S	S	.	.	H	α-helix	trans	-67.9	-46.6	174.5	-169.9	0	0	0	0	111.1	G219 D220 R225 M226 T227	G219-S223 PolarHBondContact O-N 3.03Å; D220-S223 PolarHBondContact O-N 3.14Å; S223-R225 VanDerWaalsContact C-N 3.27Å; S223-R225 PolarHBondContact O-N 3.33Å; S223-M226 PolarHBondContact O-N 3.29Å; S223-M226 VanDerWaalsContact O-N 3.08Å; S223-T227 PolarHBondContact O-N 3.41Å; S223-T227 PolarHBondContact O-OG1 3.22Å
224	N	49.9	Very low	57.6	Low	98 Å²	98	96.8 Å²	96.8	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-61.4	-31.9	175.8	-82.3	-19.4	0	0	0	113.1	D220 T227 N228	D220-N224 WeakPolarHBondContact O-CB 3.41Å; D220-N224 PolarHBondContact O-N 2.99Å; N224-T227 WeakPolarHBondContact CA-OG1 3.35Å; N224-T227 PolarHBondContact O-OG1 3.18Å; N224-N228 VanDerWaalsContact O-CB 3.32Å; N224-N228 WeakPolarHBondContact O-CB 3.37Å; N224-N228 PolarHBondContact O-N 3.44Å; N224-N228 PolarHBondContact O-ND2 3.43Å
225	R	47.7	Very low	56.1	Low	190 Å²	190	93.8 Å²	93.8	72%	0.717	53%	0.532	S	S	*	.	H	α-helix	trans	-72.1	-32.1	175.3	-155	175.5	-173.9	-172.4	2.1	112.6	F221 S223 T229	F221-R225 WeakPolarHBondContact O-CB 3.37Å; F221-R225 PolarHBondContact O-N 2.96Å; S223-R225 VanDerWaalsContact C-N 3.27Å; S223-R225 PolarHBondContact O-N 3.33Å; R225-T229 PolarHBondContact O-N 2.94Å; R225-T229 PolarHBondContact O-OG1 3.45Å
226	M	45.1	Very low	54.8	Low	127 Å²	127	96 Å²	96	63%	0.626	55%	0.545	S	S	*	.	H	α-helix	trans	-74.1	-42.4	175.2	-107.1	-179.6	-175.4	0	0	112.2	H222 S223 N228 T229 L230	H222-M226 PolarHBondContact O-N 3.47Å; S223-M226 PolarHBondContact O-N 3.29Å; S223-M226 VanDerWaalsContact O-N 3.08Å; M226-N228 VanDerWaalsContact C-N 3.35Å; M226-N228 PolarHBondContact O-N 3.49Å; M226-T229 PolarHBondContact O-N 3.33Å; M226-L230 PolarHBondContact O-N 3.04Å
227	T	49.4	Very low	53.6	Low	78 Å²	78	99.9 Å²	99.9	48%	0.479	56%	0.558	S	S	.	*	H	α-helix	trans	-63.7	-38.3	174.1	21.9	0	0	0	0	112.2	S223 N224 T229 L230 S231	S223-T227 PolarHBondContact O-N 3.41Å; S223-T227 PolarHBondContact O-OG1 3.22Å; N224-T227 WeakPolarHBondContact CA-OG1 3.35Å; N224-T227 PolarHBondContact O-OG1 3.18Å; T227-T229 PolarHBondContact O-N 3.13Å; T227-L230 PolarHBondContact O-N 3.38Å; T227-S231 VanDerWaalsContact O-CB 3.24Å; T227-S231 WeakPolarHBondContact O-CB 3.47Å; T227-S231 PolarHBondContact O-N 3.17Å
228	N	50.2	Low	52.2	Low	108 Å²	108	100.7 Å²	100.7	58%	0.578	56%	0.559	S	S	*	*	H	α-helix	trans	-67.7	-34.9	175.9	-71.8	-12.7	0	0	0	112.9	N224 M226 S232	N224-N228 VanDerWaalsContact O-CB 3.32Å; N224-N228 WeakPolarHBondContact O-CB 3.37Å; N224-N228 PolarHBondContact O-N 3.44Å; N224-N228 PolarHBondContact O-ND2 3.43Å; M226-N228 VanDerWaalsContact C-N 3.35Å; M226-N228 PolarHBondContact O-N 3.49Å; N228-S232 WeakPolarHBondContact O-CB 3.5Å; N228-S232 PolarHBondContact O-N 3.09Å; N228-S232 PolarHBondContact O-OG 3.42Å
229	T	50.8	Low	51	Low	95 Å²	95	100.6 Å²	100.6	58%	0.583	56%	0.562	S	S	*	*	H	α-helix	trans	-72	-39.3	175.3	-43.9	0	0	0	0	111.9	R225 M226 T227 S232 G233	R225-T229 PolarHBondContact O-N 2.94Å; R225-T229 PolarHBondContact O-OG1 3.45Å; M226-T229 PolarHBondContact O-N 3.33Å; T227-T229 PolarHBondContact O-N 3.13Å; T229-S232 PolarHBondContact O-N 3.4Å; T229-G233 PolarHBondContact O-N 2.69Å
230	L	51	Low	50.4	Low	140 Å²	140	105.7 Å²	105.7	73%	0.733	58%	0.577	S	S	*	*	H	α-helix	trans	-69.4	-39.4	176.1	-130	76.6	0	0	0	112	M226 T227 G233 S234	M226-L230 PolarHBondContact O-N 3.04Å; T227-L230 PolarHBondContact O-N 3.38Å; L230-G233 PolarHBondContact O-N 2.92Å; L230-S234 PolarHBondContact O-N 3.33Å; L230-S234 PolarHBondContact O-OG 2.99Å
231	S	51.6	Low	49.9	Very low	73 Å²	73	108.6 Å²	108.6	51%	0.51	59%	0.585	S	S	.	*	H	α-helix	trans	-65.2	-41	174.8	-167.3	0	0	0	0	111.6	T227 S234 S235	T227-S231 VanDerWaalsContact O-CB 3.24Å; T227-S231 WeakPolarHBondContact O-CB 3.47Å; T227-S231 PolarHBondContact O-N 3.17Å; S231-S234 WeakPolarHBondContact CA-OG 3.21Å; S231-S234 PolarHBondContact O-N 3.42Å; S231-S234 PolarHBondContact O-OG 2.9Å; S231-S235 PolarHBondContact O-N 2.97Å; S231-S235 VanDerWaalsContact O-N 3.11Å; S231-S235 PolarHBondContact O-OG 2.99Å
232	S	50.8	Low	49.4	Very low	65 Å²	65	108.8 Å²	108.8	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-67.4	-36	176.2	-63.5	0	0	0	0	112.8	N228 T229 S235 L236	N228-S232 WeakPolarHBondContact O-CB 3.5Å; N228-S232 PolarHBondContact O-N 3.09Å; N228-S232 PolarHBondContact O-OG 3.42Å; T229-S232 PolarHBondContact O-N 3.4Å; S232-S235 WeakPolarHBondContact CA-OG 3.41Å; S232-S235 PolarHBondContact O-OG 3.34Å; S232-L236 PolarHBondContact O-N 3.48Å
233	G	51.8	Low	49	Very low	35 Å²	35	108.3 Å²	108.3	36%	0.361	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-38.1	172.9	0	0	0	0	0	113	T229 L230 L236 M237	T229-G233 PolarHBondContact O-N 2.69Å; L230-G233 PolarHBondContact O-N 2.92Å; G233-L236 PolarHBondContact O-N 3Å; G233-M237 PolarHBondContact O-N 3.29Å; G233-M237 VanDerWaalsContact O-N 3.17Å
234	S	51.2	Low	48.4	Very low	71 Å²	71	108.4 Å²	108.4	50%	0.497	61%	0.606	S	S	.	*	H	α-helix	trans	-68	-39	176.4	67.9	0	0	0	0	113.2	L230 S231 L236 M237 D238	L230-S234 PolarHBondContact O-N 3.33Å; L230-S234 PolarHBondContact O-OG 2.99Å; S231-S234 WeakPolarHBondContact CA-OG 3.21Å; S231-S234 PolarHBondContact O-N 3.42Å; S231-S234 PolarHBondContact O-OG 2.9Å; S234-L236 VanDerWaalsContact C-N 3.35Å; S234-L236 PolarHBondContact O-N 3.45Å; S234-M237 PolarHBondContact O-N 3.15Å; S234-D238 PolarHBondContact O-N 2.94Å; S234-D238 VanDerWaalsContact O-N 3.15Å
235	S	52.5	Low	47.9	Very low	67 Å²	67	112.6 Å²	112.6	47%	0.469	62%	0.619	S	S	.	*	H	α-helix	trans	-69.5	-29.2	175.6	51.4	0	0	0	0	113.8	S231 S232 S239	S231-S235 PolarHBondContact O-N 2.97Å; S231-S235 VanDerWaalsContact O-N 3.11Å; S231-S235 PolarHBondContact O-OG 2.99Å; S232-S235 WeakPolarHBondContact CA-OG 3.41Å; S232-S235 PolarHBondContact O-OG 3.34Å; S235-S239 WeakPolarHBondContact O-CB 3.43Å; S235-S239 PolarHBondContact O-N 3.07Å; S235-S239 VanDerWaalsContact O-N 3.1Å; S235-S239 PolarHBondContact O-OG 3.34Å
236	L	51.7	Low	47.1	Very low	116 Å²	116	113.2 Å²	113.2	61%	0.607	63%	0.627	S	S	*	*	H	α-helix	trans	-72.7	-39.8	174.8	-89.9	162.1	0	0	0	112	S232 G233 S234 S239 M240	S232-L236 PolarHBondContact O-N 3.48Å; G233-L236 PolarHBondContact O-N 3Å; S234-L236 VanDerWaalsContact C-N 3.35Å; S234-L236 PolarHBondContact O-N 3.45Å; L236-S239 PolarHBondContact O-N 3.2Å; L236-M240 PolarHBondContact O-N 3.45Å; L236-M240 VanDerWaalsContact O-N 3.15Å
237	M	50.3	Low	46.6	Very low	155 Å²	155	113.8 Å²	113.8	76%	0.764	64%	0.638	S	S	*	*	H	α-helix	trans	-67	-34.4	174.1	-76	-167	86.5	0	0	112.6	G233 S234 K241	G233-M237 PolarHBondContact O-N 3.29Å; G233-M237 VanDerWaalsContact O-N 3.17Å; S234-M237 PolarHBondContact O-N 3.15Å; M237-K241 PolarHBondContact O-N 3.28Å
238	D	49.1	Very low	45.7	Very low	112 Å²	112	115.6 Å²	115.6	60%	0.599	65%	0.651	S	S	*	*	H	α-helix	trans	-72.4	-36	176.3	-118.1	-13.1	0	0	0	112.5	S234 M240 K241 Q242	S234-D238 PolarHBondContact O-N 2.94Å; S234-D238 VanDerWaalsContact O-N 3.15Å; D238-M240 PolarHBondContact O-N 3.31Å; D238-K241 PolarHBondContact O-N 3.44Å; D238-Q242 PolarHBondContact O-N 3.08Å
239	S	48.8	Very low	45.1	Very low	75 Å²	75	119.6 Å²	119.6	52%	0.524	67%	0.666	S	S	.	*	H	α-helix	trans	-64.9	-35.9	173	-82.2	0	0	0	0	113.4	S235 L236 K241 Q242 T243	S235-S239 WeakPolarHBondContact O-CB 3.43Å; S235-S239 PolarHBondContact O-N 3.07Å; S235-S239 VanDerWaalsContact O-N 3.1Å; S235-S239 PolarHBondContact O-OG 3.34Å; L236-S239 PolarHBondContact O-N 3.2Å; S239-K241 VanDerWaalsContact C-N 3.29Å; S239-K241 PolarHBondContact O-N 3.28Å; S239-Q242 PolarHBondContact O-N 3.49Å; S239-T243 PolarHBondContact O-N 2.99Å; S239-T243 PolarHBondContact O-OG1 3.23Å
240	M	47.4	Very low	44.1	Very low	146 Å²	146	121.6 Å²	121.6	72%	0.719	68%	0.678	S	S	*	*	H	α-helix	trans	-71.4	-23.1	175.4	-72.2	-173.8	79.3	0	0	112.9	L236 D238 T243	L236-M240 PolarHBondContact O-N 3.45Å; L236-M240 VanDerWaalsContact O-N 3.15Å; D238-M240 PolarHBondContact O-N 3.31Å; M240-T243 WeakPolarHBondContact CA-OG1 3.45Å; M240-T243 PolarHBondContact O-OG1 3.22Å
241	K	45	Very low	43.2	Very low	168 Å²	168	120.9 Å²	120.9	73%	0.73	68%	0.682	S	S	*	*	H	α-helix	trans	-79.1	-26.3	177.9	-151.7	176	-176.2	-172.6	0	112.7	M237 D238 S239	M237-K241 PolarHBondContact O-N 3.28Å; D238-K241 PolarHBondContact O-N 3.44Å; S239-K241 VanDerWaalsContact C-N 3.29Å; S239-K241 PolarHBondContact O-N 3.28Å
242	Q	42.7	Very low	42.2	Very low	169 Å²	169	122 Å²	122	79%	0.79	70%	0.696	S	S	*	*	H	α-helix	trans	-81.2	-24.7	174.6	-85.3	-177	-7.6	0	0	114	D238 S239	D238-Q242 PolarHBondContact O-N 3.08Å; S239-Q242 PolarHBondContact O-N 3.49Å
243	T	43.1	Very low	41.3	Very low	117 Å²	117	124.8 Å²	124.8	72%	0.718	71%	0.712	S	S	*	*	H	α-helix	trans	-80	-14.4	179.8	17.9	0	0	0	0	113.9	S239 M240 K245	S239-T243 PolarHBondContact O-N 2.99Å; S239-T243 PolarHBondContact O-OG1 3.23Å; M240-T243 WeakPolarHBondContact CA-OG1 3.45Å; M240-T243 PolarHBondContact O-OG1 3.22Å; T243-K245 PolarHBondContact O-N 2.65Å
244	G	37.2	Very low	40.2	Very low	72 Å²	72	128.7 Å²	128.7	74%	0.742	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	10.7	-179.8	0	0	0	0	0	116.7
245	K	38.2	Very low	39.4	Very low	185 Å²	185	135.3 Å²	135.3	80%	0.804	75%	0.75	S	S	*	*			trans	-126.2	28.1	-170.5	-142.1	-179.4	-174.7	-179	0	116.5	T243	T243-K245 PolarHBondContact O-N 2.65Å
246	K	32.2	Very low	38.5	Very low	203 Å²	203	137.3 Å²	137.3	88%	0.883	76%	0.764	S	S	*	*			trans	-130.3	89.8	170.1	-75.7	-173.7	178.2	-179.2	0	111.4
247	T	33.6	Very low	37.5	Very low	139 Å²	139	138 Å²	138	85%	0.853	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-88.7	132.7	162.3	-13.1	0	0	0	0	108.9
248	P	31.3	Very low	36.7	Very low	116 Å²	116	135.5 Å²	135.5	75%	0.753	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-98.6	135.8	153	3.1	17	0	0	0	110
249	E	37	Very low	36	Very low	193 Å²	193	136.2 Å²	136.2	90%	0.902	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-76.3	139	177	-63.2	-176.5	124.3	0	0	112.4
250	T	30	Very low	35.3	Very low	136 Å²	136	142 Å²	142	83%	0.834	83%	0.825	S	S	*	*			trans	-148.5	140.3	158.3	-26.1	0	0	0	0	109
251	P	32.7	Very low	34.6	Very low	126 Å²	126	141.8 Å²	141.8	82%	0.818	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-86.2	155.2	-155.7	32.4	-32	0	0	0	114.8
252	A	30.6	Very low	34.1	Very low	97 Å²	97	140.4 Å²	140.4	80%	0.802	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-79	147.6	-177.8	0	0	0	0	0	113.4
253	P	30.5	Very low	33.6	Very low	122 Å²	122	138.8 Å²	138.8	79%	0.792	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-83.2	145.1	169.9	33.1	-31	0	0	0	112.1
254	S	30.2	Very low	33.1	Very low	118 Å²	118	140.1 Å²	140.1	83%	0.825	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-65.8	138.3	171.2	167.6	0	0	0	0	111.8
255	Y	33.1	Very low	32.8	Very low	210 Å²	210	144.3 Å²	144.3	82%	0.824	85%	0.851	S	S	*	*			trans	-134.6	126.3	150	62.1	-90.8	0	0	0	110.2
256	S	33.2	Very low	32.4	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	85%	0.854	S	S	*	*			trans	-81	132.1	176	44.6	0	0	0	0	111
257	V	32.1	Very low	32.5	Very low	131 Å²	131	137.2 Å²	137.2	79%	0.794	85%	0.852	S	S	*	*			trans	-75.5	121.6	167.6	174.6	0	0	0	0	108.4	V259	V257-V259 HydrophobicContact CG1-CG2 4.4Å
258	A	32.6	Very low	32.4	Very low	101 Å²	101	137.1 Å²	137.1	84%	0.835	85%	0.852	S	S	*	*			trans	-104.1	119.4	167	0	0	0	0	0	109
259	V	34.2	Very low	32.5	Very low	128 Å²	128	138.8 Å²	138.8	78%	0.776	86%	0.861	S	S	*	*			trans	-90.8	128.7	167.7	173.4	0	0	0	0	107.5	V257	V257-V259 HydrophobicContact CG1-CG2 4.4Å
260	S	33.4	Very low	32.1	Very low	195 Å²	195	133.9 Å²	133.9	100%	1.364	86%	0.857	S	S	*	*			trans	-168.9	0	142.2	-75.1	0	0	0	0	108.9

Retrieved 260 of 260 residues in 47.3 ms (Link to these results)

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