A0A077ZCI4_TRITR Loading...

Integrase zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZCI4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 295 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.5	Low	87	Confident	98 Å²	98	80.8 Å²	80.8	48%	0.483	41%	0.408	S	S	.	.				0	148.4	0	-82.2	-163.5	-74	0	0	108.1	E5 K6 I62	M1-E5 VanDerWaalsContact SD-CD 3.55Å; M1-E5 HydrophobicContact SD-CG 4.12Å; M1-K6 HydrophobicContact CB-CG 4.46Å; M1-K6 HydrophobicContact CE-CG 4.35Å; M1-I62 HydrophobicContact CE-CD1 3.52Å
2	A	78.9	Confident	87.6	Confident	65 Å²	65	74.2 Å²	74.2	54%	0.537	37%	0.374	S	S	.	.			trans	-66.9	141.5	175.5	0	0	0	0	0	109.8	A4 E5 K6	A2-A4 PolarHBondContact O-N 2.72Å; A2-A4 VanDerWaalsContact O-N 3.12Å; A2-E5 WeakPolarHBondContact O-CB 3.4Å; A2-E5 PolarHBondContact O-N 2.85Å; A2-K6 PolarHBondContact O-N 3.2Å
3	T	86	Confident	88	Confident	111 Å²	111	68.5 Å²	68.5	68%	0.681	35%	0.345	S	S	*	.	H	α-helix	trans	-52.5	-37.2	-179.3	-43.1	0	0	0	0	112	E5 K6 I7	T3-E5 PolarHBondContact O-N 3.32Å; T3-K6 PolarHBondContact O-N 2.98Å; T3-I7 HydrophobicContact CG2-CD1 4.37Å; T3-I7 WeakPolarHBondContact O-CG1 3.45Å; T3-I7 PolarHBondContact O-N 3.36Å; T3-I7 VanDerWaalsContact O-N 3.17Å
4	A	89.4	Confident	88.2	Confident	57 Å²	57	71.9 Å²	71.9	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-40.3	176.7	0	0	0	0	0	113.4	A2 K6 I7 W8	A2-A4 PolarHBondContact O-N 2.72Å; A2-A4 VanDerWaalsContact O-N 3.12Å; A4-K6 PolarHBondContact O-N 3.14Å; A4-I7 PolarHBondContact O-N 2.97Å; A4-W8 PolarHBondContact O-N 2.85Å; A4-W8 VanDerWaalsContact O-N 3.12Å
5	E	88.6	Confident	88.6	Confident	49 Å²	49	74 Å²	74	23%	0.229	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-45.5	179.3	-174.8	174.8	-165.6	0	0	110.5	M1 A2 T3 I7 W8 L9	M1-E5 VanDerWaalsContact SD-CD 3.55Å; M1-E5 HydrophobicContact SD-CG 4.12Å; A2-E5 WeakPolarHBondContact O-CB 3.4Å; A2-E5 PolarHBondContact O-N 2.85Å; T3-E5 PolarHBondContact O-N 3.32Å; E5-I7 VanDerWaalsContact C-N 3.32Å; E5-I7 PolarHBondContact O-N 3.4Å; E5-W8 PolarHBondContact O-N 3.4Å; E5-L9 HydrophobicContact CG-CD1 4.24Å; E5-L9 VanDerWaalsContact O-CG 3.32Å; E5-L9 WeakPolarHBondContact O-CG 3.3Å; E5-L9 PolarHBondContact O-N 3.19Å
6	K	90	Very high	88.8	Confident	52 Å²	52	73.4 Å²	73.4	23%	0.226	36%	0.363	C	S	.	.	H	α-helix	trans	-59.8	-41.4	176.4	-67.2	-173.9	179.5	-175.1	0	112.2	M1 A2 T3 A4 W8 L9 R10 D40 I42	M1-K6 HydrophobicContact CB-CG 4.46Å; M1-K6 HydrophobicContact CE-CG 4.35Å; A2-K6 PolarHBondContact O-N 3.2Å; T3-K6 PolarHBondContact O-N 2.98Å; A4-K6 PolarHBondContact O-N 3.14Å; K6-W8 PolarHBondContact O-N 3.46Å; K6-L9 PolarHBondContact O-N 3.39Å; K6-R10 WeakPolarHBondContact O-CB 3.47Å; K6-R10 PolarHBondContact O-N 3.5Å; K6-D40 HydrophobicContact CD-CB 4.47Å; K6-D40 WeakPolarHBondContact CD-OD2 3.41Å; K6-D40 WeakPolarHBondContact CE-OD2 3.33Å; K6-D40 IonicContact NZ-OD1 3.47Å; K6-D40 IonicContact NZ-OD2 3.29Å; K6-D40 PolarHBondContact NZ-OD2 2.77Å; K6-I42 HydrophobicContact CB-CD1 3.92Å; K6-I42 HydrophobicContact CG-CD1 4.17Å
7	I	92.2	Very high	88.9	Confident	95 Å²	95	70.6 Å²	70.6	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-47.5	177.7	-69	160.8	0	0	0	110.9	T3 A4 E5 R10 R11	T3-I7 HydrophobicContact CG2-CD1 4.37Å; T3-I7 WeakPolarHBondContact O-CG1 3.45Å; T3-I7 PolarHBondContact O-N 3.36Å; T3-I7 VanDerWaalsContact O-N 3.17Å; A4-I7 PolarHBondContact O-N 2.97Å; E5-I7 VanDerWaalsContact C-N 3.32Å; E5-I7 PolarHBondContact O-N 3.4Å; I7-R10 PolarHBondContact O-N 2.94Å; I7-R11 PolarHBondContact O-N 2.81Å
8	W	92.2	Very high	88.9	Confident	143 Å²	143	71.3 Å²	71.3	54%	0.542	35%	0.351	S	S	.	.	H	α-helix	trans	-62.3	-47.3	178.2	-77	110	0	0	0	111.9	A4 E5 K6 R10 R11 V12	A4-W8 PolarHBondContact O-N 2.85Å; A4-W8 VanDerWaalsContact O-N 3.12Å; E5-W8 PolarHBondContact O-N 3.4Å; K6-W8 PolarHBondContact O-N 3.46Å; W8-R10 VanDerWaalsContact C-N 3.35Å; W8-R10 PolarHBondContact O-N 3.31Å; W8-R11 WeakPolarHBondContact O-CB 3.3Å; W8-R11 PolarHBondContact O-N 2.86Å; W8-V12 WeakPolarHBondContact O-CG2 3.49Å; W8-V12 PolarHBondContact O-N 2.78Å
9	L	93.2	Very high	88.8	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-41.7	-179.4	-61.7	176.3	0	0	0	112	E5 K6 R11 V12 Q13 I62 L64 V70 L74 F98	E5-L9 HydrophobicContact CG-CD1 4.24Å; E5-L9 VanDerWaalsContact O-CG 3.32Å; E5-L9 WeakPolarHBondContact O-CG 3.3Å; E5-L9 PolarHBondContact O-N 3.19Å; K6-L9 PolarHBondContact O-N 3.39Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.27Å; L9-V12 PolarHBondContact O-N 3.07Å; L9-Q13 WeakPolarHBondContact O-CG 3.45Å; L9-Q13 PolarHBondContact O-N 3.41Å; L9-I62 HydrophobicContact CD1-CD1 3.79Å; L9-I62 HydrophobicContact CD1-CG2 4.49Å; L9-L64 HydrophobicContact CD2-CD1 4.02Å; L9-L64 HydrophobicContact CD2-CD2 3.74Å; L9-V70 HydrophobicContact CD2-CG1 4.5Å; L9-L74 HydrophobicContact CD2-CD1 4.03Å; L9-F98 HydrophobicContact CD1-CE1 3.94Å
10	R	92.2	Very high	88.8	Confident	76 Å²	76	74.2 Å²	74.2	29%	0.287	36%	0.364	S	S	.	.	H	α-helix	trans	-59.9	-42.3	175.2	-170.4	-171.6	-56	166.4	1.5	111.6	K6 I7 W8 Q13 R14 D40 I42	K6-R10 WeakPolarHBondContact O-CB 3.47Å; K6-R10 PolarHBondContact O-N 3.5Å; I7-R10 PolarHBondContact O-N 2.94Å; W8-R10 VanDerWaalsContact C-N 3.35Å; W8-R10 PolarHBondContact O-N 3.31Å; R10-Q13 PolarHBondContact O-N 3Å; R10-R14 WeakPolarHBondContact O-CG 3.3Å; R10-R14 PolarHBondContact O-N 3.01Å; R10-D40 PolarHBondContact NE-O 2.74Å; R10-D40 PolarHBondContact NH2-O 2.99Å; R10-D40 IonicContact NH2-OD1 3.94Å; R10-I42 HydrophobicContact CB-CG1 4.11Å
11	R	93.8	Very high	88.8	Confident	141 Å²	141	71.4 Å²	71.4	53%	0.532	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-47.3	176.5	-176.5	174	-179	160.4	3.8	111.6	I7 W8 L9 Q13 R14 E15	I7-R11 PolarHBondContact O-N 2.81Å; W8-R11 WeakPolarHBondContact O-CB 3.3Å; W8-R11 PolarHBondContact O-N 2.86Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.27Å; R11-Q13 VanDerWaalsContact C-N 3.29Å; R11-Q13 PolarHBondContact O-N 3.42Å; R11-R14 PolarHBondContact O-N 3.37Å; R11-E15 WeakPolarHBondContact CG-OE1 3.36Å; R11-E15 IonicContact CZ-OE1 2.76Å; R11-E15 IonicContact NE-OE1 3.14Å; R11-E15 PolarHBondContact NE-OE1 2.88Å; R11-E15 IonicContact NH2-OE1 3.68Å; R11-E15 WeakPolarHBondContact O-CG 3.34Å; R11-E15 PolarHBondContact O-N 3.02Å
12	V	93.9	Very high	90.1	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.006	34%	0.343	C	S	.	.	H	α-helix	trans	-58	-43.1	177	175.4	0	0	0	0	111.6	W8 L9 T16 P65 Y68	W8-V12 WeakPolarHBondContact O-CG2 3.49Å; W8-V12 PolarHBondContact O-N 2.78Å; L9-V12 PolarHBondContact O-N 3.07Å; V12-T16 WeakPolarHBondContact O-CB 3.36Å; V12-T16 PolarHBondContact O-N 2.87Å; V12-T16 PolarHBondContact O-OG1 2.83Å; V12-P65 HydrophobicContact CG1-CG 3.65Å; V12-Y68 HydrophobicContact CB-CD1 4.5Å; V12-Y68 HydrophobicContact CB-CE1 4.35Å; V12-Y68 HydrophobicContact CG1-CD1 4Å; V12-Y68 HydrophobicContact CG1-CD2 3.98Å; V12-Y68 HydrophobicContact CG1-CE1 4.27Å; V12-Y68 HydrophobicContact CG1-CE2 4.21Å; V12-Y68 HydrophobicContact CG1-CG 3.87Å; V12-Y68 HydrophobicContact CG2-CD1 3.63Å; V12-Y68 HydrophobicContact CG2-CE1 3.3Å; V12-Y68 HydrophobicContact CG2-CE2 4.38Å; V12-Y68 HydrophobicContact CG2-CG 4.33Å
13	Q	93.3	Very high	90.4	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-66.9	-42.1	179.6	-74.4	-178.5	-21.5	0	0	112.6	L9 R10 R11 T16 F17 I42 I43 V63	L9-Q13 WeakPolarHBondContact O-CG 3.45Å; L9-Q13 PolarHBondContact O-N 3.41Å; R10-Q13 PolarHBondContact O-N 3Å; R11-Q13 VanDerWaalsContact C-N 3.29Å; R11-Q13 PolarHBondContact O-N 3.42Å; Q13-T16 PolarHBondContact O-N 3.29Å; Q13-F17 HydrophobicContact CB-CD2 4.37Å; Q13-F17 HydrophobicContact CG-CD2 4.29Å; Q13-F17 WeakPolarHBondContact O-CA 3.45Å; Q13-F17 WeakPolarHBondContact O-CB 3.44Å; Q13-F17 PolarHBondContact O-N 3.04Å; Q13-I42 VanDerWaalsContact OE1-CA 3.3Å; Q13-I43 HydrophobicContact CB-CD1 4.42Å; Q13-I43 PolarHBondContact NE2-O 2.9Å; Q13-V63 PolarHBondContact NE2-O 2.93Å
14	R	91.2	Very high	90.5	Very high	116 Å²	116	68.1 Å²	68.1	44%	0.438	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-43.5	176	-74	-177.1	172.7	-146.3	1	112.1	R10 R11 T16 E18 Y21	R10-R14 WeakPolarHBondContact O-CG 3.3Å; R10-R14 PolarHBondContact O-N 3.01Å; R11-R14 PolarHBondContact O-N 3.37Å; R14-T16 VanDerWaalsContact C-N 3.32Å; R14-T16 PolarHBondContact O-N 3.19Å; R14-E18 WeakPolarHBondContact O-CB 3.46Å; R14-E18 PolarHBondContact O-N 3.15Å; R14-Y21 HydrophobicContact CG-CD1 4.45Å; R14-Y21 HydrophobicContact CG-CD2 4.48Å; R14-Y21 HydrophobicContact CG-CE1 4.41Å; R14-Y21 HydrophobicContact CG-CE2 4.45Å; R14-Y21 HydrophobicContact CG-CG 4.49Å; R14-Y21 PolarHBondContact NH2-OH 2.97Å
15	E	93.2	Very high	90.3	Very high	104 Å²	104	72.5 Å²	72.5	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-66.9	-32.6	179.6	-70.8	175.3	-168.7	0	0	112.8	R11 Y68	R11-E15 WeakPolarHBondContact CG-OE1 3.36Å; R11-E15 IonicContact CZ-OE1 2.76Å; R11-E15 IonicContact NE-OE1 3.14Å; R11-E15 PolarHBondContact NE-OE1 2.88Å; R11-E15 IonicContact NH2-OE1 3.68Å; R11-E15 WeakPolarHBondContact O-CG 3.34Å; R11-E15 PolarHBondContact O-N 3.02Å; E15-Y68 PolarHBondContact OE2-OH 2.99Å
16	T	91.8	Very high	90.1	Very high	64 Å²	64	79.9 Å²	79.9	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-100	-34.1	-174	-43.6	0	0	0	0	114.3	V12 Q13 R14 P65	V12-T16 WeakPolarHBondContact O-CB 3.36Å; V12-T16 PolarHBondContact O-N 2.87Å; V12-T16 PolarHBondContact O-OG1 2.83Å; Q13-T16 PolarHBondContact O-N 3.29Å; R14-T16 VanDerWaalsContact C-N 3.32Å; R14-T16 PolarHBondContact O-N 3.19Å; T16-P65 HydrophobicContact CG2-CB 3.77Å; T16-P65 HydrophobicContact CG2-CG 4.28Å
17	F	90.4	Very high	89.7	Confident	26 Å²	26	83.2 Å²	83.2	11%	0.114	36%	0.363	C	S	.	.			trans	-119.7	35.1	-172.2	-54.3	-59.8	0	0	0	111.3	Q13 E19 D20 Y21 I43 V63 P65 L101	Q13-F17 HydrophobicContact CB-CD2 4.37Å; Q13-F17 HydrophobicContact CG-CD2 4.29Å; Q13-F17 WeakPolarHBondContact O-CA 3.45Å; Q13-F17 WeakPolarHBondContact O-CB 3.44Å; Q13-F17 PolarHBondContact O-N 3.04Å; F17-E19 VanDerWaalsContact C-N 3.29Å; F17-E19 PolarHBondContact O-N 3.4Å; F17-D20 HydrophobicContact CB-CB 4.31Å; F17-D20 PolarHBondContact O-N 2.89Å; F17-Y21 VanDerWaalsContact O-CB 3.3Å; F17-Y21 WeakPolarHBondContact O-CB 3.5Å; F17-Y21 PolarHBondContact O-N 3.4Å; F17-I43 HydrophobicContact CB-CD1 4.05Å; F17-V63 HydrophobicContact CE2-CG1 4.06Å; F17-V63 HydrophobicContact CZ-CG1 4.26Å; F17-P65 HydrophobicContact CE2-CB 4.31Å; F17-P65 HydrophobicContact CZ-CB 3.91Å; F17-L101 HydrophobicContact CE1-CD1 3.57Å; F17-L101 HydrophobicContact CZ-CD1 3.57Å; F17-L101 HydrophobicContact CZ-CG 4.3Å
18	E	89.3	Confident	88.9	Confident	84 Å²	84	80.7 Å²	80.7	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-55.1	-43.7	-175	-174.6	55.7	-153.4	0	0	112.2	R14 Y21 Q22	R14-E18 WeakPolarHBondContact O-CB 3.46Å; R14-E18 PolarHBondContact O-N 3.15Å; E18-Y21 WeakPolarHBondContact O-CB 3.32Å; E18-Y21 PolarHBondContact O-N 3Å; E18-Q22 VanDerWaalsContact O-CG 3.3Å; E18-Q22 WeakPolarHBondContact O-CG 3.14Å; E18-Q22 PolarHBondContact O-N 3.43Å; E18-Q22 WeakPolarHBondContact OE1-CG 3.26Å; E18-Q22 PolarHBondContact OE1-NE2 2.99Å
19	E	87.4	Confident	88.1	Confident	139 Å²	139	78.3 Å²	78.3	65%	0.65	36%	0.363	S	S	*	.	H	α-helix	trans	-61.6	-47.7	178.7	-64.8	-175.2	-169.7	0	0	112.3	F17 Y21 Q22 R23	F17-E19 VanDerWaalsContact C-N 3.29Å; F17-E19 PolarHBondContact O-N 3.4Å; E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 2.81Å; E19-Q22 PolarHBondContact O-N 2.72Å; E19-R23 VanDerWaalsContact O-CG 3.3Å; E19-R23 WeakPolarHBondContact O-CG 3.4Å; E19-R23 PolarHBondContact O-N 3.28Å
20	D	87.8	Confident	87	Confident	60 Å²	60	79.8 Å²	79.8	32%	0.321	37%	0.37	S	S	.	.	H	α-helix	trans	-65.7	-38.2	178.1	-68.3	-43	0	0	0	111	F17 R23 L24 L30	F17-D20 HydrophobicContact CB-CB 4.31Å; F17-D20 PolarHBondContact O-N 2.89Å; D20-R23 PolarHBondContact O-N 3.43Å; D20-L24 WeakPolarHBondContact O-CB 3.46Å; D20-L24 VanDerWaalsContact O-CG 3.26Å; D20-L24 WeakPolarHBondContact O-CG 3.35Å; D20-L24 PolarHBondContact O-N 3.05Å; D20-L30 HydrophobicContact CB-CD1 3.83Å
21	Y	89	Confident	85.8	Confident	17 Å²	17	83.1 Å²	83.1	7%	0.067	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-46.7	176	-172.1	-97.1	0	0	0	111.8	R14 F17 E18 E19 L24 K25 L37 G41 I43	R14-Y21 HydrophobicContact CG-CD1 4.45Å; R14-Y21 HydrophobicContact CG-CD2 4.48Å; R14-Y21 HydrophobicContact CG-CE1 4.41Å; R14-Y21 HydrophobicContact CG-CE2 4.45Å; R14-Y21 HydrophobicContact CG-CG 4.49Å; R14-Y21 PolarHBondContact NH2-OH 2.97Å; F17-Y21 VanDerWaalsContact O-CB 3.3Å; F17-Y21 WeakPolarHBondContact O-CB 3.5Å; F17-Y21 PolarHBondContact O-N 3.4Å; E18-Y21 WeakPolarHBondContact O-CB 3.32Å; E18-Y21 PolarHBondContact O-N 3Å; E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 2.81Å; Y21-L24 PolarHBondContact O-N 3.18Å; Y21-K25 WeakPolarHBondContact O-CB 3.43Å; Y21-K25 PolarHBondContact O-N 3.48Å; Y21-L37 HydrophobicContact CD2-CD2 3.78Å; Y21-L37 HydrophobicContact CE2-CD1 4.3Å; Y21-L37 HydrophobicContact CE2-CD2 3.53Å; Y21-G41 WeakPolarHBondContact CE2-O 3.19Å; Y21-I43 HydrophobicContact CD2-CD1 4.28Å; Y21-I43 HydrophobicContact CD2-CG1 4.23Å
22	Q	88	Confident	84.9	Confident	70 Å²	70	80.5 Å²	80.5	33%	0.327	40%	0.403	S	S	.	.	H	α-helix	trans	-66.7	-38.2	177.1	-66.3	-63.1	-19.2	0	0	112	E18 E19 K25 R26	E18-Q22 VanDerWaalsContact O-CG 3.3Å; E18-Q22 WeakPolarHBondContact O-CG 3.14Å; E18-Q22 PolarHBondContact O-N 3.43Å; E18-Q22 WeakPolarHBondContact OE1-CG 3.26Å; E18-Q22 PolarHBondContact OE1-NE2 2.99Å; E19-Q22 PolarHBondContact O-N 2.72Å; Q22-K25 PolarHBondContact O-N 3.43Å; Q22-R26 WeakPolarHBondContact O-CG 3.33Å; Q22-R26 PolarHBondContact O-N 3.03Å; Q22-R26 VanDerWaalsContact O-N 3.14Å
23	R	86.4	Confident	84.1	Confident	131 Å²	131	84 Å²	84	49%	0.494	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-44.6	174.2	-74.6	174.2	-179.1	-177.3	3.1	111.7	E19 D20 K25 R26 N27 L30	E19-R23 VanDerWaalsContact O-CG 3.3Å; E19-R23 WeakPolarHBondContact O-CG 3.4Å; E19-R23 PolarHBondContact O-N 3.28Å; D20-R23 PolarHBondContact O-N 3.43Å; R23-K25 VanDerWaalsContact C-N 3.32Å; R23-K25 PolarHBondContact O-N 2.95Å; R23-R26 PolarHBondContact O-N 3.39Å; R23-N27 WeakPolarHBondContact O-CB 3.38Å; R23-N27 PolarHBondContact O-N 3.28Å; R23-L30 HydrophobicContact CB-CD2 4.06Å
24	L	86.4	Confident	83.7	Confident	4 Å²	4	89.3 Å²	89.3	2%	0.021	45%	0.449	C	S	.	.	H	α-helix	trans	-63.3	-37.6	176	-74	170.7	0	0	0	112.1	D20 Y21 R26 G28 L30 A35 L37 I43	D20-L24 WeakPolarHBondContact O-CB 3.46Å; D20-L24 VanDerWaalsContact O-CG 3.26Å; D20-L24 WeakPolarHBondContact O-CG 3.35Å; D20-L24 PolarHBondContact O-N 3.05Å; Y21-L24 PolarHBondContact O-N 3.18Å; L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 3.17Å; L24-G28 WeakPolarHBondContact O-CA 3.36Å; L24-G28 PolarHBondContact O-N 3.39Å; L24-L30 HydrophobicContact CD1-CD1 3.93Å; L24-L30 HydrophobicContact CD2-CB 4.07Å; L24-L30 HydrophobicContact CD2-CD1 3.84Å; L24-L30 HydrophobicContact CD2-CG 3.6Å; L24-L30 HydrophobicContact CG-CD1 3.62Å; L24-L30 HydrophobicContact CG-CG 3.84Å; L24-A35 WeakPolarHBondContact CD2-O 3.41Å; L24-L37 HydrophobicContact CB-CD1 3.87Å; L24-L37 HydrophobicContact CB-CG 3.92Å; L24-L37 HydrophobicContact CD1-CD2 4.38Å; L24-L37 HydrophobicContact CD1-CG 4.31Å; L24-I43 HydrophobicContact CD1-CB 4.47Å; L24-I43 HydrophobicContact CD1-CD1 4.2Å; L24-I43 HydrophobicContact CD1-CG1 3.95Å; L24-I43 HydrophobicContact CD1-CG2 3.84Å
25	K	85.3	Confident	83.6	Confident	148 Å²	148	84.1 Å²	84.1	64%	0.643	43%	0.431	S	S	*	.	H	α-helix	trans	-65.1	-31.9	175.9	-167	178.1	-179.2	-174.4	0	112.8	Y21 Q22 R23	Y21-K25 WeakPolarHBondContact O-CB 3.43Å; Y21-K25 PolarHBondContact O-N 3.48Å; Q22-K25 PolarHBondContact O-N 3.43Å; R23-K25 VanDerWaalsContact C-N 3.32Å; R23-K25 PolarHBondContact O-N 2.95Å
26	R	86.2	Confident	83.4	Confident	204 Å²	204	81.4 Å²	81.4	77%	0.77	42%	0.418	S	S	*	.	H	α-helix	trans	-84.1	-46.8	179.3	-70	176.3	-176.7	176.1	1.6	112.9	Q22 R23 L24	Q22-R26 WeakPolarHBondContact O-CG 3.33Å; Q22-R26 PolarHBondContact O-N 3.03Å; Q22-R26 VanDerWaalsContact O-N 3.14Å; R23-R26 PolarHBondContact O-N 3.39Å; L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 3.17Å
27	N	81.5	Confident	83.4	Confident	122 Å²	122	80.6 Å²	80.6	65%	0.652	41%	0.411	S	S	*	.	H	α-helix	trans	-104.6	-8.7	-168.2	-62.2	-2.6	0	0	0	113.4	R23 T29	R23-N27 WeakPolarHBondContact O-CB 3.38Å; R23-N27 PolarHBondContact O-N 3.28Å; N27-T29 PolarHBondContact O-N 3.5Å
28	G	75	Confident	83.4	Confident	42 Å²	42	80.7 Å²	80.7	43%	0.433	41%	0.412	S	S	.	.	S	Bend	trans	77.3	-35.9	-177.7	0	0	0	0	0	114.7	L24	L24-G28 WeakPolarHBondContact O-CA 3.36Å; L24-G28 PolarHBondContact O-N 3.39Å
29	T	74.2	Confident	83.3	Confident	94 Å²	94	86.2 Å²	86.2	58%	0.577	44%	0.438	S	S	*	.			trans	-140.9	148.3	-176.3	41.2	0	0	0	0	113.3	N27 A35 F36	N27-T29 PolarHBondContact O-N 3.5Å; T29-A35 WeakPolarHBondContact CA-O 3.31Å; T29-F36 HydrophobicContact CG2-CB 4.47Å
30	L	70.6	Confident	83.3	Confident	32 Å²	32	82 Å²	82	17%	0.168	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-108	135	169	-74.9	166.3	0	0	0	109.6	D20 R23 L24 S32 A35	D20-L30 HydrophobicContact CB-CD1 3.83Å; R23-L30 HydrophobicContact CB-CD2 4.06Å; L24-L30 HydrophobicContact CD1-CD1 3.93Å; L24-L30 HydrophobicContact CD2-CB 4.07Å; L24-L30 HydrophobicContact CD2-CD1 3.84Å; L24-L30 HydrophobicContact CD2-CG 3.6Å; L24-L30 HydrophobicContact CG-CD1 3.62Å; L24-L30 HydrophobicContact CG-CG 3.84Å; L30-S32 VanDerWaalsContact C-N 3.28Å; L30-S32 PolarHBondContact O-N 3.45Å; L30-A35 HydrophobicContact CB-CB 4.35Å; L30-A35 PolarHBondContact N-O 3.37Å; L30-A35 PolarHBondContact O-N 3.46Å
31	T	68.3	Low	83.4	Confident	147 Å²	147	79.8 Å²	79.8	90%	0.902	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.2	178.8	27.8	0	0	0	0	113.5
32	S	73.9	Confident	83.5	Confident	86 Å²	86	79 Å²	79	60%	0.601	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	121	171.5	179	0	0	0	0	109	L30 D34	L30-S32 VanDerWaalsContact C-N 3.28Å; L30-S32 PolarHBondContact O-N 3.45Å; S32-D34 VanDerWaalsContact C-N 3.33Å; S32-D34 PolarHBondContact O-N 3.12Å
33	L	76	Confident	83.8	Confident	73 Å²	73	76 Å²	76	38%	0.382	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	10.1	176.8	-65.7	149.9	0	0	0	116.4	A35 V45 W99	L33-A35 PolarHBondContact O-N 3.14Å; L33-A35 VanDerWaalsContact O-N 3.14Å; L33-V45 HydrophobicContact CB-CG1 4.28Å; L33-V45 HydrophobicContact CD2-CG1 4.39Å; L33-V45 WeakPolarHBondContact O-CG1 3.47Å; L33-W99 HydrophobicContact CD2-CZ2 3.95Å
34	D	85.1	Confident	84.1	Confident	113 Å²	113	70.9 Å²	70.9	60%	0.604	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	43	-173.8	-65.4	-33.7	0	0	0	111.4	S32 G46	S32-D34 VanDerWaalsContact C-N 3.33Å; S32-D34 PolarHBondContact O-N 3.12Å; D34-G46 WeakPolarHBondContact O-CA 3.36Å; D34-G46 PolarHBondContact O-N 3.39Å
35	A	89.2	Confident	84.3	Confident	7 Å²	7	71.1 Å²	71.1	6%	0.058	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.1	-173.6	0	0	0	0	0	110.6	L24 T29 L30 L33 I43 R44	L24-A35 WeakPolarHBondContact CD2-O 3.41Å; T29-A35 WeakPolarHBondContact CA-O 3.31Å; L30-A35 HydrophobicContact CB-CB 4.35Å; L30-A35 PolarHBondContact N-O 3.37Å; L30-A35 PolarHBondContact O-N 3.46Å; L33-A35 PolarHBondContact O-N 3.14Å; L33-A35 VanDerWaalsContact O-N 3.14Å; A35-I43 HydrophobicContact CB-CG2 4.17Å; A35-R44 VanDerWaalsContact CA-O 3.31Å; A35-R44 WeakPolarHBondContact CA-O 3.46Å
36	F	90.8	Very high	84.2	Confident	47 Å²	47	65 Å²	65	21%	0.206	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	166.3	178	68.8	-81.9	0	0	0	110.8	T29 I43 R44 Q60	T29-F36 HydrophobicContact CG2-CB 4.47Å; F36-I43 WeakPolarHBondContact O-CA 3.01Å; F36-R44 HydrophobicContact CE1-CB 4.02Å; F36-R44 HydrophobicContact CE2-CB 4.34Å; F36-R44 HydrophobicContact CZ-CB 3.83Å; F36-R44 PolarHBondContact N-O 3.44Å; F36-R44 PolarHBondContact O-N 2.63Å; F36-Q60 HydrophobicContact CZ-CB 4.24Å; F36-Q60 HydrophobicContact CZ-CG 4.15Å; F36-Q60 VanDerWaalsContact CZ-OE1 3.29Å
37	L	91	Very high	83.8	Confident	47 Å²	47	56.7 Å²	56.7	25%	0.246	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.3	175.2	-68.9	170.5	0	0	0	110.2	Y21 L24 I43	Y21-L37 HydrophobicContact CD2-CD2 3.78Å; Y21-L37 HydrophobicContact CE2-CD1 4.3Å; Y21-L37 HydrophobicContact CE2-CD2 3.53Å; L24-L37 HydrophobicContact CB-CD1 3.87Å; L24-L37 HydrophobicContact CB-CG 3.92Å; L24-L37 HydrophobicContact CD1-CD2 4.38Å; L24-L37 HydrophobicContact CD1-CG 4.31Å; L37-I43 HydrophobicContact CD2-CG1 3.75Å
38	D	89.2	Confident	83.8	Confident	27 Å²	27	62.8 Å²	62.8	14%	0.144	35%	0.348	C	S	.	.			trans	-75.5	177.5	171.3	72.7	6.2	0	0	0	112.3	D40 G41 I42 R44	D38-D40 PolarHBondContact O-N 2.92Å; D38-D40 VanDerWaalsContact O-N 3.15Å; D38-D40 VanDerWaalsContact OD1-C 3.26Å; D38-D40 WeakPolarHBondContact OD1-CA 3.32Å; D38-D40 WeakPolarHBondContact OD1-CB 3.32Å; D38-D40 PolarHBondContact OD1-N 3.37Å; D38-G41 WeakPolarHBondContact O-CA 3.33Å; D38-G41 PolarHBondContact O-N 2.92Å; D38-G41 PolarHBondContact OD1-N 3.45Å; D38-I42 PolarHBondContact N-O 2.99Å; D38-I42 WeakPolarHBondContact OD1-CA 3.39Å; D38-I42 WeakPolarHBondContact OD1-CB 3.49Å; D38-I42 PolarHBondContact OD1-N 3.07Å; D38-R44 HydrophobicContact CB-CG 4.5Å; D38-R44 IonicContact OD2-CZ 2.73Å; D38-R44 VanDerWaalsContact OD2-CZ 3.3Å; D38-R44 IonicContact OD2-NE 3.73Å; D38-R44 PolarHBondContact OD2-NE 3.46Å; D38-R44 IonicContact OD2-NH2 3.54Å; D38-R44 PolarHBondContact OD2-NH2 2.97Å
39	E	87.2	Confident	84.2	Confident	201 Å²	201	64.8 Å²	64.8	94%	0.939	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.6	177.3	-61.3	176.7	177.6	0	0	112.9	G41	E39-G41 VanDerWaalsContact C-N 3.29Å
40	D	87.8	Confident	84.5	Confident	50 Å²	50	64.4 Å²	64.4	27%	0.267	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.5	175.7	-70.4	-72	0	0	0	112.4	K6 R10 D38 I42	K6-D40 HydrophobicContact CD-CB 4.47Å; K6-D40 WeakPolarHBondContact CD-OD2 3.41Å; K6-D40 WeakPolarHBondContact CE-OD2 3.33Å; K6-D40 IonicContact NZ-OD1 3.47Å; K6-D40 IonicContact NZ-OD2 3.29Å; K6-D40 PolarHBondContact NZ-OD2 2.77Å; R10-D40 PolarHBondContact NE-O 2.74Å; R10-D40 PolarHBondContact NH2-O 2.99Å; R10-D40 IonicContact NH2-OD1 3.94Å; D38-D40 PolarHBondContact O-N 2.92Å; D38-D40 VanDerWaalsContact O-N 3.15Å; D38-D40 VanDerWaalsContact OD1-C 3.26Å; D38-D40 WeakPolarHBondContact OD1-CA 3.32Å; D38-D40 WeakPolarHBondContact OD1-CB 3.32Å; D38-D40 PolarHBondContact OD1-N 3.37Å; D40-I42 VanDerWaalsContact C-N 3.29Å; D40-I42 HydrophobicContact CB-CD1 4.15Å; D40-I42 HydrophobicContact CB-CG1 4.25Å; D40-I42 PolarHBondContact O-N 2.75Å
41	G	89.6	Confident	85.2	Confident	14 Å²	14	68.9 Å²	68.9	14%	0.144	37%	0.374	C	S	.	.	S	Bend	trans	62.2	33.9	-175.6	0	0	0	0	0	113.4	Y21 D38 E39	Y21-G41 WeakPolarHBondContact CE2-O 3.19Å; D38-G41 WeakPolarHBondContact O-CA 3.33Å; D38-G41 PolarHBondContact O-N 2.92Å; D38-G41 PolarHBondContact OD1-N 3.45Å; E39-G41 VanDerWaalsContact C-N 3.29Å
42	I	92.6	Very high	86.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.345	C	S	.	.			trans	-100.4	135.2	172.6	-65.5	172.6	0	0	0	108.5	K6 R10 Q13 D38 D40 R44 I62	K6-I42 HydrophobicContact CB-CD1 3.92Å; K6-I42 HydrophobicContact CG-CD1 4.17Å; R10-I42 HydrophobicContact CB-CG1 4.11Å; Q13-I42 VanDerWaalsContact OE1-CA 3.3Å; D38-I42 PolarHBondContact N-O 2.99Å; D38-I42 WeakPolarHBondContact OD1-CA 3.39Å; D38-I42 WeakPolarHBondContact OD1-CB 3.49Å; D38-I42 PolarHBondContact OD1-N 3.07Å; D40-I42 VanDerWaalsContact C-N 3.29Å; D40-I42 HydrophobicContact CB-CD1 4.15Å; D40-I42 HydrophobicContact CB-CG1 4.25Å; D40-I42 PolarHBondContact O-N 2.75Å; I42-R44 PolarHBondContact O-N 2.94Å; I42-I62 HydrophobicContact CG2-CB 4.31Å; I42-I62 HydrophobicContact CG2-CD1 4.28Å; I42-I62 HydrophobicContact CG2-CG1 4.05Å; I42-I62 HydrophobicContact CG2-CG2 3.45Å; I42-I62 VanDerWaalsContact CG2-CG2 3.45Å
43	I	92.9	Very high	87	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.041	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.5	176.7	-51.7	173.2	0	0	0	109.1	Q13 F17 Y21 L24 A35 F36 L37 V63	Q13-I43 HydrophobicContact CB-CD1 4.42Å; Q13-I43 PolarHBondContact NE2-O 2.9Å; F17-I43 HydrophobicContact CB-CD1 4.05Å; Y21-I43 HydrophobicContact CD2-CD1 4.28Å; Y21-I43 HydrophobicContact CD2-CG1 4.23Å; L24-I43 HydrophobicContact CD1-CB 4.47Å; L24-I43 HydrophobicContact CD1-CD1 4.2Å; L24-I43 HydrophobicContact CD1-CG1 3.95Å; L24-I43 HydrophobicContact CD1-CG2 3.84Å; A35-I43 HydrophobicContact CB-CG2 4.17Å; F36-I43 WeakPolarHBondContact O-CA 3.01Å; L37-I43 HydrophobicContact CD2-CG1 3.75Å; I43-V63 HydrophobicContact CB-CB 4.46Å; I43-V63 HydrophobicContact CG2-CB 4.16Å; I43-V63 HydrophobicContact CG2-CG2 4Å; I43-V63 PolarHBondContact O-N 2.75Å
44	R	93	Very high	87.5	Confident	22 Å²	22	68.6 Å²	68.6	8%	0.083	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	154.6	174	-67.5	-177.1	-176.6	-82.1	-12.5	110.8	A35 F36 D38 I42 Q60 P61 I62	A35-R44 VanDerWaalsContact CA-O 3.31Å; A35-R44 WeakPolarHBondContact CA-O 3.46Å; F36-R44 HydrophobicContact CE1-CB 4.02Å; F36-R44 HydrophobicContact CE2-CB 4.34Å; F36-R44 HydrophobicContact CZ-CB 3.83Å; F36-R44 PolarHBondContact N-O 3.44Å; F36-R44 PolarHBondContact O-N 2.63Å; D38-R44 HydrophobicContact CB-CG 4.5Å; D38-R44 IonicContact OD2-CZ 2.73Å; D38-R44 VanDerWaalsContact OD2-CZ 3.3Å; D38-R44 IonicContact OD2-NE 3.73Å; D38-R44 PolarHBondContact OD2-NE 3.46Å; D38-R44 IonicContact OD2-NH2 3.54Å; D38-R44 PolarHBondContact OD2-NH2 2.97Å; I42-R44 PolarHBondContact O-N 2.94Å; R44-Q60 HydrophobicContact CB-CB 4.43Å; R44-Q60 WeakPolarHBondContact CD-O 3.44Å; R44-Q60 PolarHBondContact NH1-O 2.82Å; R44-P61 WeakPolarHBondContact CA-O 3.34Å; R44-I62 HydrophobicContact CG-CG1 4.31Å
45	V	90.6	Very high	87.7	Confident	10 Å²	10	66.6 Å²	66.6	6%	0.061	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.2	171.6	-170.5	0	0	0	0	108.2	L33 Q60 P61 V63 W99	L33-V45 HydrophobicContact CB-CG1 4.28Å; L33-V45 HydrophobicContact CD2-CG1 4.39Å; L33-V45 WeakPolarHBondContact O-CG1 3.47Å; V45-Q60 WeakPolarHBondContact O-CA 3.35Å; V45-P61 HydrophobicContact CB-CG 4.25Å; V45-P61 PolarHBondContact N-O 2.88Å; V45-V63 HydrophobicContact CG2-CG2 3.3Å; V45-W99 HydrophobicContact CG2-CB 3.6Å; V45-W99 HydrophobicContact CG2-CD2 4.06Å; V45-W99 HydrophobicContact CG2-CG 3.58Å
46	G	83.4	Confident	87.5	Confident	18 Å²	18	70.6 Å²	70.6	19%	0.186	37%	0.372	C	S	.	.			trans	-65.3	160.9	166.1	0	0	0	0	0	111.8	D34	D34-G46 WeakPolarHBondContact O-CA 3.36Å; D34-G46 PolarHBondContact O-N 3.39Å
47	G	78.5	Confident	87.4	Confident	31 Å²	31	72.9 Å²	72.9	32%	0.32	38%	0.382	S	S	.	.			trans	-153.5	162.5	-177.6	0	0	0	0	0	113.1	L49 Q50	G47-L49 PolarHBondContact O-N 3.26Å; G47-Q50 WeakPolarHBondContact O-CG 3.42Å; G47-Q50 PolarHBondContact O-NE2 3.47Å
48	R	81.8	Confident	87.2	Confident	250 Å²	250	72.1 Å²	72.1	94%	0.943	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	1.7	177.5	-59.8	179.6	-177.5	179	-0.8	113.4
49	L	83.9	Confident	87.3	Confident	83 Å²	83	72 Å²	72	44%	0.435	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	16.6	-174.1	-61.9	176.1	0	0	0	113.5	G47 S51 T52 L54 K59	G47-L49 PolarHBondContact O-N 3.26Å; L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 3.49Å; L49-T52 HydrophobicContact CB-CG2 4.21Å; L49-T52 HydrophobicContact CD2-CG2 4.02Å; L49-T52 PolarHBondContact O-N 2.96Å; L49-T52 VanDerWaalsContact O-N 3.12Å; L49-T52 PolarHBondContact O-OG1 2.83Å; L49-L54 HydrophobicContact CD1-CD1 4.14Å; L49-K59 HydrophobicContact CB-CG 4.36Å; L49-K59 WeakPolarHBondContact O-CD 3.35Å; L49-K59 WeakPolarHBondContact O-CE 3.42Å
50	Q	80.6	Confident	87.4	Confident	87 Å²	87	64 Å²	64	41%	0.407	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-41.7	-174.9	-60.3	-59.8	-19.9	0	0	112.5	G47 T52 K59	G47-Q50 WeakPolarHBondContact O-CG 3.42Å; G47-Q50 PolarHBondContact O-NE2 3.47Å; Q50-T52 VanDerWaalsContact C-N 3.27Å; Q50-T52 PolarHBondContact O-N 3.12Å; Q50-K59 PolarHBondContact O-NZ 3.3Å
51	S	85.3	Confident	87.7	Confident	126 Å²	126	62.2 Å²	62.2	88%	0.881	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	6.1	-177.3	-47.6	0	0	0	0	115.1	L49	L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 3.49Å
52	T	88.3	Confident	87.9	Confident	47 Å²	47	61.6 Å²	61.6	29%	0.288	33%	0.325	S	S	.	.	S	Bend	trans	-90.5	159.3	-179.6	64.3	0	0	0	0	112	L49 Q50 L54 K59	L49-T52 HydrophobicContact CB-CG2 4.21Å; L49-T52 HydrophobicContact CD2-CG2 4.02Å; L49-T52 PolarHBondContact O-N 2.96Å; L49-T52 VanDerWaalsContact O-N 3.12Å; L49-T52 PolarHBondContact O-OG1 2.83Å; Q50-T52 VanDerWaalsContact C-N 3.27Å; Q50-T52 PolarHBondContact O-N 3.12Å; T52-L54 PolarHBondContact O-N 2.7Å; T52-L54 VanDerWaalsContact O-N 3.17Å; T52-K59 WeakPolarHBondContact O-CE 3.31Å; T52-K59 PolarHBondContact O-NZ 3.27Å; T52-K59 WeakPolarHBondContact OG1-CE 3.32Å
53	D	90	Very high	88	Confident	176 Å²	176	62.1 Å²	62.1	94%	0.941	33%	0.328	S	S	*	.	S	Bend	trans	-80.3	14.9	173.5	-59.2	-39.5	0	0	0	113.2
54	L	88.1	Confident	88.1	Confident	77 Å²	77	61.8 Å²	61.8	40%	0.403	33%	0.326	S	S	.	.	S	Bend	trans	-69.8	151.1	179.2	-68.1	174.5	0	0	0	111.3	L49 T52 E56 T58 K59	L49-L54 HydrophobicContact CD1-CD1 4.14Å; T52-L54 PolarHBondContact O-N 2.7Å; T52-L54 VanDerWaalsContact O-N 3.17Å; L54-E56 PolarHBondContact O-N 3.44Å; L54-T58 HydrophobicContact CD1-CG2 4.49Å; L54-K59 HydrophobicContact CB-CG 4.17Å; L54-K59 WeakPolarHBondContact O-CE 3.21Å
55	P	88.2	Confident	88.2	Confident	70 Å²	70	61.1 Å²	61.1	46%	0.455	32%	0.324	S	S	.	.			trans	-57.4	141.5	172.6	-23.9	33.9	0	0	0	111.6	K57 T58 K59	P55-K57 HydrophobicContact CB-CG 4.02Å; P55-K57 PolarHBondContact O-N 3.21Å; P55-K57 VanDerWaalsContact O-N 3.14Å; P55-T58 WeakPolarHBondContact O-CA 3.4Å; P55-T58 VanDerWaalsContact O-CB 3.3Å; P55-T58 WeakPolarHBondContact O-CB 3.5Å; P55-T58 PolarHBondContact O-N 3.01Å; P55-K59 PolarHBondContact O-N 3.32Å
56	E	85.8	Confident	88.3	Confident	91 Å²	91	62.1 Å²	62.1	43%	0.425	33%	0.332	S	S	.	.	H	α-helix	trans	-57.7	-36.1	-174.8	-159.4	55	-136.1	0	0	113.3	L54 T58 K59 Q60	L54-E56 PolarHBondContact O-N 3.44Å; E56-T58 PolarHBondContact O-N 3.02Å; E56-T58 VanDerWaalsContact O-N 3.15Å; E56-K59 PolarHBondContact O-N 2.94Å; E56-K59 VanDerWaalsContact O-N 3.14Å; E56-K59 WeakPolarHBondContact OE2-CD 3.28Å; E56-K59 IonicContact OE2-NZ 3.12Å; E56-Q60 PolarHBondContact O-N 2.96Å; E56-Q60 WeakPolarHBondContact OE1-CG 3.49Å; E56-Q60 PolarHBondContact OE1-NE2 2.97Å; E56-Q60 PolarHBondContact OE1-OE1 2.93Å
57	K	87.7	Confident	88.7	Confident	95 Å²	95	68.9 Å²	68.9	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-57.1	-29.4	174.3	66	-179.3	-172.6	172.7	0	113.9	P55 Q96 Q97	P55-K57 HydrophobicContact CB-CG 4.02Å; P55-K57 PolarHBondContact O-N 3.21Å; P55-K57 VanDerWaalsContact O-N 3.14Å; K57-Q96 CarbonylContact C-O 3.51Å; K57-Q97 HydrophobicContact CD-CG 4.15Å
58	T	88.1	Confident	89.4	Confident	31 Å²	31	70.4 Å²	70.4	19%	0.19	35%	0.353	C	S	.	.	H	α-helix	trans	-85.1	-36.5	179.9	-52.3	0	0	0	0	110.9	L54 P55 E56 Q60 Q96	L54-T58 HydrophobicContact CD1-CG2 4.49Å; P55-T58 WeakPolarHBondContact O-CA 3.4Å; P55-T58 VanDerWaalsContact O-CB 3.3Å; P55-T58 WeakPolarHBondContact O-CB 3.5Å; P55-T58 PolarHBondContact O-N 3.01Å; E56-T58 PolarHBondContact O-N 3.02Å; E56-T58 VanDerWaalsContact O-N 3.15Å; T58-Q60 VanDerWaalsContact C-N 3.32Å; T58-Q96 WeakPolarHBondContact CA-O 3.34Å; T58-Q96 HydrophobicContact CG2-CB 4.3Å; T58-Q96 HydrophobicContact CG2-CG 4.38Å; T58-Q96 PolarHBondContact N-O 3.38Å; T58-Q96 PolarHBondContact OG1-O 2.88Å
59	K	89.7	Confident	90	Very high	26 Å²	26	63.5 Å²	63.5	11%	0.113	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-37.9	174.7	-65	178.3	177.3	175.3	0	111.7	L49 Q50 T52 L54 P55 E56 P61	L49-K59 HydrophobicContact CB-CG 4.36Å; L49-K59 WeakPolarHBondContact O-CD 3.35Å; L49-K59 WeakPolarHBondContact O-CE 3.42Å; Q50-K59 PolarHBondContact O-NZ 3.3Å; T52-K59 WeakPolarHBondContact O-CE 3.31Å; T52-K59 PolarHBondContact O-NZ 3.27Å; T52-K59 WeakPolarHBondContact OG1-CE 3.32Å; L54-K59 HydrophobicContact CB-CG 4.17Å; L54-K59 WeakPolarHBondContact O-CE 3.21Å; P55-K59 PolarHBondContact O-N 3.32Å; E56-K59 PolarHBondContact O-N 2.94Å; E56-K59 VanDerWaalsContact O-N 3.14Å; E56-K59 WeakPolarHBondContact OE2-CD 3.28Å; E56-K59 IonicContact OE2-NZ 3.12Å; K59-P61 WeakPolarHBondContact O-CD 3.35Å
60	Q	90.2	Very high	90.5	Very high	33 Å²	33	61.2 Å²	61.2	15%	0.154	33%	0.328	C	S	.	.	S	Bend	trans	-127.4	73.4	-171.8	-56.1	179.6	-1.1	0	0	110.6	F36 R44 V45 E56 T58	F36-Q60 HydrophobicContact CZ-CB 4.24Å; F36-Q60 HydrophobicContact CZ-CG 4.15Å; F36-Q60 VanDerWaalsContact CZ-OE1 3.29Å; R44-Q60 HydrophobicContact CB-CB 4.43Å; R44-Q60 WeakPolarHBondContact CD-O 3.44Å; R44-Q60 PolarHBondContact NH1-O 2.82Å; V45-Q60 WeakPolarHBondContact O-CA 3.35Å; E56-Q60 PolarHBondContact O-N 2.96Å; E56-Q60 WeakPolarHBondContact OE1-CG 3.49Å; E56-Q60 PolarHBondContact OE1-NE2 2.97Å; E56-Q60 PolarHBondContact OE1-OE1 2.93Å; T58-Q60 VanDerWaalsContact C-N 3.32Å
61	P	93.9	Very high	91.2	Very high	11 Å²	11	57.1 Å²	57.1	7%	0.071	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68.2	150.2	-176.9	28.7	-34.5	0	0	0	111.9	R44 V45 K59 Q97 W99	R44-P61 WeakPolarHBondContact CA-O 3.34Å; V45-P61 HydrophobicContact CB-CG 4.25Å; V45-P61 PolarHBondContact N-O 2.88Å; K59-P61 WeakPolarHBondContact O-CD 3.35Å; P61-Q97 WeakPolarHBondContact CA-O 3.4Å; P61-W99 HydrophobicContact CB-CB 4.28Å; P61-W99 HydrophobicContact CG-CB 4.23Å; P61-W99 HydrophobicContact CG-CE3 4.27Å
62	I	94.2	Very high	91.8	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.9	-177.2	-60.8	171.7	0	0	0	110.3	M1 L9 I42 R44 L64 Q97 F98 W99	M1-I62 HydrophobicContact CE-CD1 3.52Å; L9-I62 HydrophobicContact CD1-CD1 3.79Å; L9-I62 HydrophobicContact CD1-CG2 4.49Å; I42-I62 HydrophobicContact CG2-CB 4.31Å; I42-I62 HydrophobicContact CG2-CD1 4.28Å; I42-I62 HydrophobicContact CG2-CG1 4.05Å; I42-I62 HydrophobicContact CG2-CG2 3.45Å; I42-I62 VanDerWaalsContact CG2-CG2 3.45Å; R44-I62 HydrophobicContact CG-CG1 4.31Å; I62-L64 HydrophobicContact CG2-CD2 4.18Å; I62-L64 HydrophobicContact CG2-CG 4.32Å; I62-L64 PolarHBondContact O-N 3.18Å; I62-Q97 PolarHBondContact N-O 2.85Å; I62-F98 HydrophobicContact CB-CD1 4.15Å; I62-F98 HydrophobicContact CD1-CE1 4.34Å; I62-F98 CarbonylContact O-C 3.28Å; I62-F98 WeakPolarHBondContact O-CA 3.48Å; I62-W99 PolarHBondContact O-N 3.3Å
63	V	94	Very high	92.1	Very high	11 Å²	11	56 Å²	56	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.8	178.3	-179.7	0	0	0	0	110.4	Q13 F17 I43 V45 W99	Q13-V63 PolarHBondContact NE2-O 2.93Å; F17-V63 HydrophobicContact CE2-CG1 4.06Å; F17-V63 HydrophobicContact CZ-CG1 4.26Å; I43-V63 HydrophobicContact CB-CB 4.46Å; I43-V63 HydrophobicContact CG2-CB 4.16Å; I43-V63 HydrophobicContact CG2-CG2 4Å; I43-V63 PolarHBondContact O-N 2.75Å; V45-V63 HydrophobicContact CG2-CG2 3.3Å; V63-W99 WeakPolarHBondContact CA-O 3.41Å
64	L	95.4	Very high	92.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.2	177.2	-66	177.2	0	0	0	111.9	L9 I62 V71 L74 F98 W99 I100 L101	L9-L64 HydrophobicContact CD2-CD1 4.02Å; L9-L64 HydrophobicContact CD2-CD2 3.74Å; I62-L64 HydrophobicContact CG2-CD2 4.18Å; I62-L64 HydrophobicContact CG2-CG 4.32Å; I62-L64 PolarHBondContact O-N 3.18Å; L64-V71 HydrophobicContact CB-CG2 3.91Å; L64-V71 HydrophobicContact CD1-CG2 4.18Å; L64-V71 HydrophobicContact CG-CG2 4.46Å; L64-L74 HydrophobicContact CD1-CD1 4.01Å; L64-F98 HydrophobicContact CD1-CB 4Å; L64-F98 HydrophobicContact CD1-CD1 3.53Å; L64-F98 HydrophobicContact CD1-CE1 4.24Å; L64-F98 HydrophobicContact CD1-CG 3.91Å; L64-F98 HydrophobicContact CG-CD1 4.44Å; L64-W99 PolarHBondContact N-O 3.05Å; L64-I100 HydrophobicContact CB-CG1 4.26Å; L64-I100 WeakPolarHBondContact O-CA 3.46Å; L64-L101 PolarHBondContact O-N 3.18Å
65	P	95.1	Very high	92.8	Very high	7 Å²	7	45.2 Å²	45.2	5%	0.045	23%	0.233	C	C	.	.			trans	-69.4	159.2	178.5	30.9	-36.3	0	0	0	112	V12 T16 F17 K67 V71	V12-P65 HydrophobicContact CG1-CG 3.65Å; T16-P65 HydrophobicContact CG2-CB 3.77Å; T16-P65 HydrophobicContact CG2-CG 4.28Å; F17-P65 HydrophobicContact CE2-CB 4.31Å; F17-P65 HydrophobicContact CZ-CB 3.91Å; P65-K67 VanDerWaalsContact C-N 3.34Å; P65-K67 PolarHBondContact O-N 2.97Å; P65-V71 HydrophobicContact CG-CG2 4.43Å
66	S	92.8	Very high	93.2	Very high	31 Å²	31	46.2 Å²	46.2	22%	0.217	23%	0.228	C	C	.	.	S	Bend	trans	-72.6	-24.9	-176.7	69.1	0	0	0	0	113.7	L101 S106 R109	S66-L101 WeakPolarHBondContact CA-O 3.22Å; S66-L101 WeakPolarHBondContact CB-O 3.43Å; S66-S106 WeakPolarHBondContact CA-OG 3.45Å; S66-S106 WeakPolarHBondContact CB-OG 3.48Å; S66-S106 WeakPolarHBondContact O-CB 3.34Å; S66-S106 PolarHBondContact O-OG 3.22Å; S66-R109 PolarHBondContact O-NH1 3.45Å; S66-R109 PolarHBondContact O-NH2 3.43Å
67	K	90.3	Very high	93.7	Very high	160 Å²	160	47.6 Å²	47.6	70%	0.696	23%	0.229	S	C	*	.	S	Bend	trans	-133.6	100.1	-175.1	-70.9	179.5	-178.6	178.2	0	109.7	P65	P65-K67 VanDerWaalsContact C-N 3.34Å; P65-K67 PolarHBondContact O-N 2.97Å
68	Y	94.6	Very high	94.1	Very high	64 Å²	64	43.8 Å²	43.8	25%	0.251	22%	0.215	S	C	.	.			trans	-160.6	142.4	172.8	-154.6	-89.4	0	0	0	109.3	V12 E15 V70 V71 D72	V12-Y68 HydrophobicContact CB-CD1 4.5Å; V12-Y68 HydrophobicContact CB-CE1 4.35Å; V12-Y68 HydrophobicContact CG1-CD1 4Å; V12-Y68 HydrophobicContact CG1-CD2 3.98Å; V12-Y68 HydrophobicContact CG1-CE1 4.27Å; V12-Y68 HydrophobicContact CG1-CE2 4.21Å; V12-Y68 HydrophobicContact CG1-CG 3.87Å; V12-Y68 HydrophobicContact CG2-CD1 3.63Å; V12-Y68 HydrophobicContact CG2-CE1 3.3Å; V12-Y68 HydrophobicContact CG2-CE2 4.38Å; V12-Y68 HydrophobicContact CG2-CG 4.33Å; E15-Y68 PolarHBondContact OE2-OH 2.99Å; Y68-V70 VanDerWaalsContact C-N 3.3Å; Y68-V70 HydrophobicContact CD1-CB 3.94Å; Y68-V70 HydrophobicContact CD1-CG2 4.06Å; Y68-V70 HydrophobicContact CE1-CB 4.33Å; Y68-V70 HydrophobicContact CE1-CG2 3.97Å; Y68-V70 PolarHBondContact O-N 3Å; Y68-V71 WeakPolarHBondContact O-CB 3.38Å; Y68-V71 PolarHBondContact O-N 2.88Å; Y68-D72 PolarHBondContact O-N 3.4Å
69	T	95	Very high	94.5	Very high	104 Å²	104	42.4 Å²	42.4	64%	0.638	21%	0.207	S	C	*	.	H	α-helix	trans	-57.1	-43.4	-175.3	-52.4	0	0	0	0	112.3	V71 D72 L73	T69-V71 VanDerWaalsContact C-N 3.34Å; T69-V71 PolarHBondContact O-N 3.26Å; T69-D72 PolarHBondContact O-N 3.02Å; T69-L73 HydrophobicContact CG2-CD1 4.38Å; T69-L73 VanDerWaalsContact O-CG 3.31Å; T69-L73 WeakPolarHBondContact O-CG 3.5Å; T69-L73 PolarHBondContact O-N 3.41Å
70	V	93.9	Very high	94.8	Very high	36 Å²	36	45.8 Å²	45.8	22%	0.218	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-41.2	176.8	178.1	0	0	0	0	111.7	L9 Y68 L73 L74	L9-V70 HydrophobicContact CD2-CG1 4.5Å; Y68-V70 VanDerWaalsContact C-N 3.3Å; Y68-V70 HydrophobicContact CD1-CB 3.94Å; Y68-V70 HydrophobicContact CD1-CG2 4.06Å; Y68-V70 HydrophobicContact CE1-CB 4.33Å; Y68-V70 HydrophobicContact CE1-CG2 3.97Å; Y68-V70 PolarHBondContact O-N 3Å; V70-L73 PolarHBondContact O-N 3.38Å; V70-L74 HydrophobicContact CG1-CD1 4.32Å; V70-L74 WeakPolarHBondContact O-CG 3.35Å; V70-L74 PolarHBondContact O-N 3.48Å
71	V	95.5	Very high	95.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-42.5	178.1	179.3	0	0	0	0	110.5	L64 P65 Y68 T69 L73 L74 I75 I100	L64-V71 HydrophobicContact CB-CG2 3.91Å; L64-V71 HydrophobicContact CD1-CG2 4.18Å; L64-V71 HydrophobicContact CG-CG2 4.46Å; P65-V71 HydrophobicContact CG-CG2 4.43Å; Y68-V71 WeakPolarHBondContact O-CB 3.38Å; Y68-V71 PolarHBondContact O-N 2.88Å; T69-V71 VanDerWaalsContact C-N 3.34Å; T69-V71 PolarHBondContact O-N 3.26Å; V71-L73 VanDerWaalsContact C-N 3.29Å; V71-L73 PolarHBondContact O-N 3.06Å; V71-L74 PolarHBondContact O-N 3.1Å; V71-I75 HydrophobicContact CG1-CD1 4.01Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 2.88Å; V71-I100 HydrophobicContact CG1-CD1 3.76Å; V71-I100 HydrophobicContact CG1-CG1 4.14Å; V71-I100 HydrophobicContact CG1-CG2 4.02Å
72	D	96.5	Very high	95.2	Very high	49 Å²	49	54.5 Å²	54.5	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-38.9	176.4	-73.2	-3.7	0	0	0	111.3	Y68 T69 R76 R109 V110	Y68-D72 PolarHBondContact O-N 3.4Å; T69-D72 PolarHBondContact O-N 3.02Å; D72-R76 WeakPolarHBondContact O-CB 3.41Å; D72-R76 PolarHBondContact O-N 2.91Å; D72-R109 IonicContact OD1-CZ 3.78Å; D72-R109 IonicContact OD1-NH2 3.68Å; D72-R109 PolarHBondContact OD1-NH2 3.3Å; D72-R109 IonicContact OD2-NH2 2.88Å; D72-V110 HydrophobicContact CB-CG2 3.89Å; D72-V110 VanDerWaalsContact OD1-CG2 3.28Å; D72-V110 WeakPolarHBondContact OD1-CG2 3.48Å
73	L	96	Very high	95.2	Very high	101 Å²	101	61.5 Å²	61.5	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-66.5	-41.1	174	-69.9	172.5	0	0	0	112.6	T69 V70 V71 R76 R77	T69-L73 HydrophobicContact CG2-CD1 4.38Å; T69-L73 VanDerWaalsContact O-CG 3.31Å; T69-L73 WeakPolarHBondContact O-CG 3.5Å; T69-L73 PolarHBondContact O-N 3.41Å; V70-L73 PolarHBondContact O-N 3.38Å; V71-L73 VanDerWaalsContact C-N 3.29Å; V71-L73 PolarHBondContact O-N 3.06Å; L73-R76 PolarHBondContact O-N 3.22Å; L73-R77 WeakPolarHBondContact O-CB 3.46Å; L73-R77 PolarHBondContact O-N 3.41Å
74	L	95	Very high	95.2	Very high	25 Å²	25	63.3 Å²	63.3	13%	0.131	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-44.9	175.3	-73	171.9	0	0	0	111.5	L9 L64 V70 V71 R77 A78 F98	L9-L74 HydrophobicContact CD2-CD1 4.03Å; L64-L74 HydrophobicContact CD1-CD1 4.01Å; V70-L74 HydrophobicContact CG1-CD1 4.32Å; V70-L74 WeakPolarHBondContact O-CG 3.35Å; V70-L74 PolarHBondContact O-N 3.48Å; V71-L74 PolarHBondContact O-N 3.1Å; L74-R77 PolarHBondContact O-N 3.23Å; L74-A78 WeakPolarHBondContact O-CB 3.14Å; L74-A78 PolarHBondContact O-N 3.45Å; L74-F98 HydrophobicContact CD1-CE1 4.24Å; L74-F98 HydrophobicContact CD1-CE2 4.3Å; L74-F98 HydrophobicContact CD1-CZ 4.04Å; L74-F98 HydrophobicContact CD2-CE2 4.34Å; L74-F98 HydrophobicContact CD2-CZ 4.2Å
75	I	96.7	Very high	95	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-47.2	174.9	-68.5	166.5	0	0	0	110.2	V71 R77 A78 H79 T90 I100 L107 V110 L111	V71-I75 HydrophobicContact CG1-CD1 4.01Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 2.88Å; I75-R77 VanDerWaalsContact C-N 3.34Å; I75-R77 PolarHBondContact O-N 2.91Å; I75-A78 PolarHBondContact O-N 2.68Å; I75-H79 VanDerWaalsContact O-CB 3.24Å; I75-H79 WeakPolarHBondContact O-CB 3.39Å; I75-H79 PolarHBondContact O-N 3.28Å; I75-T90 HydrophobicContact CG2-CG2 4.37Å; I75-I100 HydrophobicContact CD1-CD1 3.9Å; I75-I100 HydrophobicContact CG1-CD1 3.77Å; I75-L107 HydrophobicContact CD1-CD1 3.87Å; I75-L107 HydrophobicContact CD1-CG 4.27Å; I75-L107 HydrophobicContact CG1-CD1 4.06Å; I75-L107 HydrophobicContact CG1-CG 4.3Å; I75-L107 HydrophobicContact CG2-CG 3.88Å; I75-V110 HydrophobicContact CB-CB 4.38Å; I75-V110 HydrophobicContact CB-CG1 4.15Å; I75-V110 HydrophobicContact CB-CG2 4.29Å; I75-V110 HydrophobicContact CD1-CG2 4Å; I75-V110 HydrophobicContact CG2-CB 3.78Å; I75-V110 HydrophobicContact CG2-CG1 3.72Å; I75-V110 HydrophobicContact CG2-CG2 4.17Å; I75-L111 HydrophobicContact CG2-CD1 3.79Å
76	R	96.5	Very high	94.8	Very high	91 Å²	91	67.1 Å²	67.1	34%	0.343	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-43.4	179.4	178.8	173.8	-100	140.9	-2.6	111.3	D72 L73 H79 E80 V110 S113	D72-R76 WeakPolarHBondContact O-CB 3.41Å; D72-R76 PolarHBondContact O-N 2.91Å; L73-R76 PolarHBondContact O-N 3.22Å; R76-H79 WeakPolarHBondContact O-CB 3.16Å; R76-H79 PolarHBondContact O-N 3.48Å; R76-E80 HydrophobicContact CG-CG 4.46Å; R76-E80 WeakPolarHBondContact CG-OE1 3.3Å; R76-E80 WeakPolarHBondContact O-CB 3.44Å; R76-E80 WeakPolarHBondContact O-CG 3.3Å; R76-E80 PolarHBondContact O-N 3.35Å; R76-V110 HydrophobicContact CB-CG1 4.2Å; R76-S113 PolarHBondContact NH2-OG 3.18Å
77	R	96.7	Very high	95	Very high	121 Å²	121	67.1 Å²	67.1	46%	0.457	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-45.2	175.2	-176.1	-175.5	-172.9	-174.1	6	112.2	L73 L74 I75 H79 R81	L73-R77 WeakPolarHBondContact O-CB 3.46Å; L73-R77 PolarHBondContact O-N 3.41Å; L74-R77 PolarHBondContact O-N 3.23Å; I75-R77 VanDerWaalsContact C-N 3.34Å; I75-R77 PolarHBondContact O-N 2.91Å; R77-H79 VanDerWaalsContact C-N 3.33Å; R77-R81 VanDerWaalsContact NE-CZ 3.3Å; R77-R81 WeakPolarHBondContact O-CB 3.45Å; R77-R81 VanDerWaalsContact O-CG 3.29Å; R77-R81 WeakPolarHBondContact O-CG 3.4Å; R77-R81 PolarHBondContact O-N 3.22Å; R77-R81 VanDerWaalsContact O-N 3.1Å
78	A	95.7	Very high	95.2	Very high	14 Å²	14	63.8 Å²	63.8	12%	0.116	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-43	176.7	0	0	0	0	0	111	L74 I75 R81 Q82 T90	L74-A78 WeakPolarHBondContact O-CB 3.14Å; L74-A78 PolarHBondContact O-N 3.45Å; I75-A78 PolarHBondContact O-N 2.68Å; A78-R81 PolarHBondContact O-N 3.4Å; A78-Q82 WeakPolarHBondContact O-CB 3.32Å; A78-Q82 VanDerWaalsContact O-CG 3.31Å; A78-Q82 WeakPolarHBondContact O-CG 3.44Å; A78-Q82 PolarHBondContact O-N 3.5Å; A78-T90 HydrophobicContact CB-CG2 4.29Å
79	H	96.9	Very high	95.2	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.009	33%	0.331	C	S	.	.	H	α-helix	trans	-62.4	-44.9	179.1	177.7	58.5	0	0	0	113.4	I75 R76 R77 Q82 L83 H84 T90 L111 C117	I75-H79 VanDerWaalsContact O-CB 3.24Å; I75-H79 WeakPolarHBondContact O-CB 3.39Å; I75-H79 PolarHBondContact O-N 3.28Å; R76-H79 WeakPolarHBondContact O-CB 3.16Å; R76-H79 PolarHBondContact O-N 3.48Å; R77-H79 VanDerWaalsContact C-N 3.33Å; H79-Q82 CarbonylContact O-C 3.5Å; H79-Q82 PolarHBondContact O-N 3.14Å; H79-L83 PolarHBondContact O-N 2.9Å; H79-H84 AromaticContact CD2-CE1 3.94Å; H79-H84 AromaticContact CD2-ND1 3.43Å; H79-H84 PolarHBondContact CD2-ND1 3.24Å; H79-H84 VanDerWaalsContact CE1-CA 3.45Å; H79-H84 WeakPolarHBondContact CE1-CA 3.42Å; H79-H84 AromaticContact CE1-ND1 3.6Å; H79-H84 AromaticContact NE2-CE1 3.8Å; H79-H84 AromaticContact NE2-CG 3.78Å; H79-H84 AromaticContact NE2-ND1 2.89Å; H79-H84 PolarHBondContact NE2-ND1 3.25Å; H79-H84 PolarHBondContact O-N 3.14Å; H79-H84 VanDerWaalsContact O-N 3.11Å; H79-T90 HydrophobicContact CB-CG2 3.85Å; H79-T90 PolarHBondContact ND1-OG1 3Å; H79-L111 HydrophobicContact CB-CD1 4Å; H79-C117 PolarHBondContact CE1-SG 3.15Å; H79-C117 PolarHBondContact NE2-SG 3.43Å
80	E	96.4	Very high	95.3	Very high	97 Å²	97	60.7 Å²	60.7	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-40.6	177	-73.5	167.7	-172.8	0	0	111.4	R76 Q82 L83	R76-E80 HydrophobicContact CG-CG 4.46Å; R76-E80 WeakPolarHBondContact CG-OE1 3.3Å; R76-E80 WeakPolarHBondContact O-CB 3.44Å; R76-E80 WeakPolarHBondContact O-CG 3.3Å; R76-E80 PolarHBondContact O-N 3.35Å; E80-Q82 VanDerWaalsContact C-N 3.28Å; E80-Q82 PolarHBondContact O-N 2.85Å; E80-L83 PolarHBondContact O-N 3.38Å
81	R	96.4	Very high	95.4	Very high	161 Å²	161	60.2 Å²	60.2	61%	0.608	30%	0.297	S	S	*	.	H	α-helix	trans	-65	-31.3	174.4	-76	174.7	169	-177.7	-10.4	113.5	R77 A78 L83	R77-R81 VanDerWaalsContact NE-CZ 3.3Å; R77-R81 WeakPolarHBondContact O-CB 3.45Å; R77-R81 VanDerWaalsContact O-CG 3.29Å; R77-R81 WeakPolarHBondContact O-CG 3.4Å; R77-R81 PolarHBondContact O-N 3.22Å; R77-R81 VanDerWaalsContact O-N 3.1Å; A78-R81 PolarHBondContact O-N 3.4Å; R81-L83 PolarHBondContact O-N 3.44Å
82	Q	95.2	Very high	95.4	Very high	67 Å²	67	62.6 Å²	62.6	31%	0.313	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	16.9	173.3	-66.3	-57.1	-34.8	0	0	112.6	A78 H79 E80 H84 A85 T93	A78-Q82 WeakPolarHBondContact O-CB 3.32Å; A78-Q82 VanDerWaalsContact O-CG 3.31Å; A78-Q82 WeakPolarHBondContact O-CG 3.44Å; A78-Q82 PolarHBondContact O-N 3.5Å; H79-Q82 CarbonylContact O-C 3.5Å; H79-Q82 PolarHBondContact O-N 3.14Å; E80-Q82 VanDerWaalsContact C-N 3.28Å; E80-Q82 PolarHBondContact O-N 2.85Å; Q82-H84 PolarHBondContact O-N 3.22Å; Q82-A85 HydrophobicContact CB-CB 4.49Å; Q82-A85 WeakPolarHBondContact O-CB 3Å; Q82-A85 PolarHBondContact O-N 3.1Å; Q82-T93 VanDerWaalsContact CD-OG1 3.29Å; Q82-T93 HydrophobicContact CG-CG2 4.36Å; Q82-T93 PolarHBondContact NE2-OG1 2.95Å
83	L	95.7	Very high	95.3	Very high	148 Å²	148	61.8 Å²	61.8	78%	0.775	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	38.3	176.1	-57	176.6	0	0	0	113	H79 E80 R81 A85	H79-L83 PolarHBondContact O-N 2.9Å; E80-L83 PolarHBondContact O-N 3.38Å; R81-L83 PolarHBondContact O-N 3.44Å; L83-A85 VanDerWaalsContact C-N 3.28Å; L83-A85 PolarHBondContact O-N 3.44Å
84	H	93.8	Very high	95.2	Very high	49 Å²	49	57.2 Å²	57.2	23%	0.227	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	28.5	-179.2	-51.8	-83.7	0	0	0	115.4	H79 Q82 G86 C114 I116	H79-H84 AromaticContact CD2-CE1 3.94Å; H79-H84 AromaticContact CD2-ND1 3.43Å; H79-H84 PolarHBondContact CD2-ND1 3.24Å; H79-H84 VanDerWaalsContact CE1-CA 3.45Å; H79-H84 WeakPolarHBondContact CE1-CA 3.42Å; H79-H84 AromaticContact CE1-ND1 3.6Å; H79-H84 AromaticContact NE2-CE1 3.8Å; H79-H84 AromaticContact NE2-CG 3.78Å; H79-H84 AromaticContact NE2-ND1 2.89Å; H79-H84 PolarHBondContact NE2-ND1 3.25Å; H79-H84 PolarHBondContact O-N 3.14Å; H79-H84 VanDerWaalsContact O-N 3.11Å; Q82-H84 PolarHBondContact O-N 3.22Å; H84-G86 PolarHBondContact O-N 3.24Å; H84-C114 PolarHBondContact CE1-SG 3.08Å; H84-C114 PolarHBondContact ND1-SG 2.92Å; H84-I116 WeakPolarHBondContact NE2-CD1 3.48Å
85	A	90.1	Very high	95.1	Very high	62 Å²	62	58.3 Å²	58.3	51%	0.512	30%	0.295	S	S	.	.			trans	-60.4	-1.8	-179.2	0	0	0	0	0	116.2	Q82 L83 Q89	Q82-A85 HydrophobicContact CB-CB 4.49Å; Q82-A85 WeakPolarHBondContact O-CB 3Å; Q82-A85 PolarHBondContact O-N 3.1Å; L83-A85 VanDerWaalsContact C-N 3.28Å; L83-A85 PolarHBondContact O-N 3.44Å; A85-Q89 HydrophobicContact CB-CB 3.81Å; A85-Q89 HydrophobicContact CB-CG 3.97Å
86	G	92.1	Very high	94.9	Very high	26 Å²	26	62.8 Å²	62.8	27%	0.268	32%	0.316	S	S	.	.			trans	101.2	-172.6	175.8	0	0	0	0	0	114.2	H84 T90	H84-G86 PolarHBondContact O-N 3.24Å; G86-T90 WeakPolarHBondContact O-CB 3.47Å; G86-T90 PolarHBondContact O-N 3.1Å; G86-T90 PolarHBondContact O-OG1 2.81Å
87	V	95.4	Very high	94.6	Very high	32 Å²	32	60.9 Å²	60.9	19%	0.194	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-45.9	-169	178.7	0	0	0	0	111.8	T90 L91 R104 L107 K108 L111	V87-T90 PolarHBondContact O-N 2.94Å; V87-L91 VanDerWaalsContact O-CB 3.24Å; V87-L91 WeakPolarHBondContact O-CB 3.35Å; V87-L91 PolarHBondContact O-N 3.24Å; V87-R104 HydrophobicContact CG1-CG 4.25Å; V87-L107 HydrophobicContact CG1-CB 4.26Å; V87-K108 HydrophobicContact CG1-CG 4.18Å; V87-K108 HydrophobicContact CG2-CG 3.94Å; V87-L111 HydrophobicContact CB-CD2 4.47Å; V87-L111 HydrophobicContact CG2-CD2 3.88Å
88	E	95.6	Very high	94.6	Very high	89 Å²	89	55.7 Å²	55.7	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-42.9	-173.6	-54.1	-49.8	125.6	0	0	112.6	L91 A92 R104	E88-L91 WeakPolarHBondContact O-CB 3.24Å; E88-L91 PolarHBondContact O-N 2.85Å; E88-A92 PolarHBondContact O-N 3.39Å; E88-R104 VanDerWaalsContact CD-NH1 3.32Å; E88-R104 VanDerWaalsContact CD-NH2 3.33Å; E88-R104 IonicContact OE1-CZ 2.74Å; E88-R104 IonicContact OE1-NE 3.94Å; E88-R104 IonicContact OE1-NH1 3.9Å; E88-R104 PolarHBondContact OE1-NH1 3.14Å; E88-R104 VanDerWaalsContact OE1-NH1 3.14Å; E88-R104 IonicContact OE1-NH2 3.3Å; E88-R104 PolarHBondContact OE1-NH2 3.42Å; E88-R104 IonicContact OE2-CZ 2.63Å; E88-R104 IonicContact OE2-NH1 2.83Å; E88-R104 PolarHBondContact OE2-NH1 2.9Å; E88-R104 IonicContact OE2-NH2 2.94Å
89	Q	94.8	Very high	94.5	Very high	103 Å²	103	59.6 Å²	59.6	48%	0.481	30%	0.303	S	S	.	.	H	α-helix	trans	-70.1	-40.2	179.6	-66	-58	-27.8	0	0	112	A85 L91 A92 T93	A85-Q89 HydrophobicContact CB-CB 3.81Å; A85-Q89 HydrophobicContact CB-CG 3.97Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 PolarHBondContact O-N 2.67Å; Q89-A92 PolarHBondContact O-N 2.88Å; Q89-T93 PolarHBondContact O-N 3.28Å; Q89-T93 PolarHBondContact O-OG1 3.28Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å
90	T	96.3	Very high	94.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-39.5	173.1	-51.9	0	0	0	0	110.3	I75 A78 H79 G86 V87 T94 L107 L111	I75-T90 HydrophobicContact CG2-CG2 4.37Å; A78-T90 HydrophobicContact CB-CG2 4.29Å; H79-T90 HydrophobicContact CB-CG2 3.85Å; H79-T90 PolarHBondContact ND1-OG1 3Å; G86-T90 WeakPolarHBondContact O-CB 3.47Å; G86-T90 PolarHBondContact O-N 3.1Å; G86-T90 PolarHBondContact O-OG1 2.81Å; V87-T90 PolarHBondContact O-N 2.94Å; T90-T94 VanDerWaalsContact O-CB 3.3Å; T90-T94 WeakPolarHBondContact O-CB 3.45Å; T90-T94 PolarHBondContact O-N 2.84Å; T90-T94 PolarHBondContact O-OG1 3.45Å; T90-L107 HydrophobicContact CG2-CD2 3.75Å; T90-L107 HydrophobicContact CG2-CG 4.47Å; T90-L111 HydrophobicContact CG2-CD1 4.43Å
91	L	96.3	Very high	94.3	Very high	27 Å²	27	57.3 Å²	57.3	14%	0.141	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-54.2	176.6	-179.1	64.1	0	0	0	110.3	V87 E88 Q89 T93 T94 M95 S103 L107	V87-L91 VanDerWaalsContact O-CB 3.24Å; V87-L91 WeakPolarHBondContact O-CB 3.35Å; V87-L91 PolarHBondContact O-N 3.24Å; E88-L91 WeakPolarHBondContact O-CB 3.24Å; E88-L91 PolarHBondContact O-N 2.85Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 PolarHBondContact O-N 2.67Å; L91-T93 VanDerWaalsContact C-N 3.28Å; L91-T93 PolarHBondContact O-N 2.94Å; L91-T94 PolarHBondContact O-N 3.27Å; L91-T94 VanDerWaalsContact O-N 3.1Å; L91-M95 HydrophobicContact CD1-CG 3.71Å; L91-M95 HydrophobicContact CD1-SD 4.04Å; L91-M95 HydrophobicContact CG-CG 4.03Å; L91-M95 WeakPolarHBondContact O-CB 3.24Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 2.92Å; L91-S103 WeakPolarHBondContact CD1-OG 3.47Å; L91-L107 HydrophobicContact CB-CD2 3.76Å; L91-L107 HydrophobicContact CD1-CD1 4.31Å; L91-L107 HydrophobicContact CD1-CD2 4.2Å; L91-L107 VanDerWaalsContact N-CD2 3.26Å
92	A	94.9	Very high	94.2	Very high	51 Å²	51	56.3 Å²	56.3	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-54.4	-44.6	-179.6	0	0	0	0	0	112.1	E88 Q89 Q96	E88-A92 PolarHBondContact O-N 3.39Å; Q89-A92 PolarHBondContact O-N 2.88Å; A92-Q96 WeakPolarHBondContact O-CG 3.29Å; A92-Q96 PolarHBondContact O-N 3Å
93	T	94.7	Very high	94.1	Very high	32 Å²	32	54.4 Å²	54.4	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-41.7	178.5	-58.8	0	0	0	0	112	Q82 Q89 L91 Q96	Q82-T93 VanDerWaalsContact CD-OG1 3.29Å; Q82-T93 HydrophobicContact CG-CG2 4.36Å; Q82-T93 PolarHBondContact NE2-OG1 2.95Å; Q89-T93 PolarHBondContact O-N 3.28Å; Q89-T93 PolarHBondContact O-OG1 3.28Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å; L91-T93 VanDerWaalsContact C-N 3.28Å; L91-T93 PolarHBondContact O-N 2.94Å; T93-Q96 WeakPolarHBondContact O-CB 3.31Å; T93-Q96 PolarHBondContact O-N 3.2Å
94	T	94.4	Very high	94.1	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-39.5	-179.3	-54.1	0	0	0	0	111.1	T90 L91 Q96 Q97 F98 I100	T90-T94 VanDerWaalsContact O-CB 3.3Å; T90-T94 WeakPolarHBondContact O-CB 3.45Å; T90-T94 PolarHBondContact O-N 2.84Å; T90-T94 PolarHBondContact O-OG1 3.45Å; L91-T94 PolarHBondContact O-N 3.27Å; L91-T94 VanDerWaalsContact O-N 3.1Å; T94-Q96 PolarHBondContact O-N 3.05Å; T94-Q97 PolarHBondContact O-N 3.36Å; T94-Q97 VanDerWaalsContact O-N 3.1Å; T94-F98 HydrophobicContact CG2-CB 4.24Å; T94-F98 HydrophobicContact CG2-CD2 4.08Å; T94-F98 PolarHBondContact O-N 3.4Å; T94-I100 HydrophobicContact CG2-CD1 3.47Å; T94-I100 VanDerWaalsContact CG2-CD1 3.47Å; T94-I100 HydrophobicContact CG2-CG1 4.34Å
95	M	92.4	Very high	94.2	Very high	47 Å²	47	54.2 Å²	54.2	23%	0.232	29%	0.289	C	S	.	.	H	α-helix	trans	-67.2	-15.7	179.5	-65.7	-61.5	-62.8	0	0	113.5	L91 Q97 F98 W99	L91-M95 HydrophobicContact CD1-CG 3.71Å; L91-M95 HydrophobicContact CD1-SD 4.04Å; L91-M95 HydrophobicContact CG-CG 4.03Å; L91-M95 WeakPolarHBondContact O-CB 3.24Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 2.92Å; M95-Q97 PolarHBondContact O-N 3.1Å; M95-F98 WeakPolarHBondContact CA-O 3.44Å; M95-W99 HydrophobicContact CE-CD2 3.77Å; M95-W99 HydrophobicContact CE-CE3 3.18Å; M95-W99 HydrophobicContact CE-CH2 4.12Å; M95-W99 HydrophobicContact CE-CZ3 3.38Å
96	Q	92.2	Very high	94.4	Very high	94 Å²	94	51.3 Å²	51.3	44%	0.439	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.7	171.2	-68.2	174	9.5	0	0	113.5	K57 T58 A92 T93 T94	K57-Q96 CarbonylContact C-O 3.51Å; T58-Q96 WeakPolarHBondContact CA-O 3.34Å; T58-Q96 HydrophobicContact CG2-CB 4.3Å; T58-Q96 HydrophobicContact CG2-CG 4.38Å; T58-Q96 PolarHBondContact N-O 3.38Å; T58-Q96 PolarHBondContact OG1-O 2.88Å; A92-Q96 WeakPolarHBondContact O-CG 3.29Å; A92-Q96 PolarHBondContact O-N 3Å; T93-Q96 WeakPolarHBondContact O-CB 3.31Å; T93-Q96 PolarHBondContact O-N 3.2Å; T94-Q96 PolarHBondContact O-N 3.05Å
97	Q	91.6	Very high	94.6	Very high	52 Å²	52	50 Å²	50	24%	0.243	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	-28.3	-177.7	-58.6	-169.5	-102.5	0	0	112.8	K57 P61 I62 T94 M95	K57-Q97 HydrophobicContact CD-CG 4.15Å; P61-Q97 WeakPolarHBondContact CA-O 3.4Å; I62-Q97 PolarHBondContact N-O 2.85Å; T94-Q97 PolarHBondContact O-N 3.36Å; T94-Q97 VanDerWaalsContact O-N 3.1Å; M95-Q97 PolarHBondContact O-N 3.1Å
98	F	94.9	Very high	94.7	Very high	11 Å²	11	54 Å²	54	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.4	-170.2	-50.7	-67.9	0	0	0	111.3	L9 I62 L64 L74 T94 M95 I100	L9-F98 HydrophobicContact CD1-CE1 3.94Å; I62-F98 HydrophobicContact CB-CD1 4.15Å; I62-F98 HydrophobicContact CD1-CE1 4.34Å; I62-F98 CarbonylContact O-C 3.28Å; I62-F98 WeakPolarHBondContact O-CA 3.48Å; L64-F98 HydrophobicContact CD1-CB 4Å; L64-F98 HydrophobicContact CD1-CD1 3.53Å; L64-F98 HydrophobicContact CD1-CE1 4.24Å; L64-F98 HydrophobicContact CD1-CG 3.91Å; L64-F98 HydrophobicContact CG-CD1 4.44Å; L74-F98 HydrophobicContact CD1-CE1 4.24Å; L74-F98 HydrophobicContact CD1-CE2 4.3Å; L74-F98 HydrophobicContact CD1-CZ 4.04Å; L74-F98 HydrophobicContact CD2-CE2 4.34Å; L74-F98 HydrophobicContact CD2-CZ 4.2Å; T94-F98 HydrophobicContact CG2-CB 4.24Å; T94-F98 HydrophobicContact CG2-CD2 4.08Å; T94-F98 PolarHBondContact O-N 3.4Å; M95-F98 WeakPolarHBondContact CA-O 3.44Å; F98-I100 HydrophobicContact CB-CG1 4.15Å; F98-I100 PolarHBondContact O-N 3.24Å
99	W	94.8	Very high	94.7	Very high	96 Å²	96	53.9 Å²	53.9	36%	0.364	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	87	168.8	-169.4	-87.4	0	0	0	109.5	L33 V45 P61 I62 V63 L64 M95	L33-W99 HydrophobicContact CD2-CZ2 3.95Å; V45-W99 HydrophobicContact CG2-CB 3.6Å; V45-W99 HydrophobicContact CG2-CD2 4.06Å; V45-W99 HydrophobicContact CG2-CG 3.58Å; P61-W99 HydrophobicContact CB-CB 4.28Å; P61-W99 HydrophobicContact CG-CB 4.23Å; P61-W99 HydrophobicContact CG-CE3 4.27Å; I62-W99 PolarHBondContact O-N 3.3Å; V63-W99 WeakPolarHBondContact CA-O 3.41Å; L64-W99 PolarHBondContact N-O 3.05Å; M95-W99 HydrophobicContact CE-CD2 3.77Å; M95-W99 HydrophobicContact CE-CE3 3.18Å; M95-W99 HydrophobicContact CE-CH2 4.12Å; M95-W99 HydrophobicContact CE-CZ3 3.38Å
100	I	95.3	Very high	94.8	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.6	-179.8	-57.9	174.1	0	0	0	109.1	L64 V71 I75 T94 F98 H102 S103 L107	L64-I100 HydrophobicContact CB-CG1 4.26Å; L64-I100 WeakPolarHBondContact O-CA 3.46Å; V71-I100 HydrophobicContact CG1-CD1 3.76Å; V71-I100 HydrophobicContact CG1-CG1 4.14Å; V71-I100 HydrophobicContact CG1-CG2 4.02Å; I75-I100 HydrophobicContact CD1-CD1 3.9Å; I75-I100 HydrophobicContact CG1-CD1 3.77Å; T94-I100 HydrophobicContact CG2-CD1 3.47Å; T94-I100 VanDerWaalsContact CG2-CD1 3.47Å; T94-I100 HydrophobicContact CG2-CG1 4.34Å; F98-I100 HydrophobicContact CB-CG1 4.15Å; F98-I100 PolarHBondContact O-N 3.24Å; I100-H102 PolarHBondContact O-N 3.12Å; I100-S103 WeakPolarHBondContact O-CA 3.18Å; I100-S103 WeakPolarHBondContact O-CB 2.85Å; I100-S103 PolarHBondContact O-N 2.63Å; I100-L107 HydrophobicContact CD1-CD1 4.42Å
101	L	93.4	Very high	94.8	Very high	49 Å²	49	50 Å²	50	26%	0.257	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	136.5	173.5	-61.8	-175.2	0	0	0	110.2	F17 L64 S66 S103 S106	F17-L101 HydrophobicContact CE1-CD1 3.57Å; F17-L101 HydrophobicContact CZ-CD1 3.57Å; F17-L101 HydrophobicContact CZ-CG 4.3Å; L64-L101 PolarHBondContact O-N 3.18Å; S66-L101 WeakPolarHBondContact CA-O 3.22Å; S66-L101 WeakPolarHBondContact CB-O 3.43Å; L101-S103 PolarHBondContact O-N 2.76Å; L101-S106 PolarHBondContact O-OG 2.71Å
102	H	94.1	Very high	94.7	Very high	140 Å²	140	58.3 Å²	58.3	65%	0.648	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	36.7	-174.4	-52.4	92.4	0	0	0	113	I100 R104 S105 S106	I100-H102 PolarHBondContact O-N 3.12Å; H102-R104 PolarHBondContact O-N 3.29Å; H102-S105 WeakPolarHBondContact O-CB 3.23Å; H102-S105 PolarHBondContact O-N 2.69Å; H102-S106 PolarHBondContact O-N 2.94Å; H102-S106 PolarHBondContact O-OG 3.17Å
103	S	92.8	Very high	94.7	Very high	26 Å²	26	58.3 Å²	58.3	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-42.3	-55.5	-171.1	55.4	0	0	0	0	113.5	L91 I100 L101 S105 S106 L107	L91-S103 WeakPolarHBondContact CD1-OG 3.47Å; I100-S103 WeakPolarHBondContact O-CA 3.18Å; I100-S103 WeakPolarHBondContact O-CB 2.85Å; I100-S103 PolarHBondContact O-N 2.63Å; L101-S103 PolarHBondContact O-N 2.76Å; S103-S105 VanDerWaalsContact C-N 3.29Å; S103-S105 PolarHBondContact O-N 3.26Å; S103-S106 WeakPolarHBondContact O-CB 3.38Å; S103-S106 PolarHBondContact O-N 2.84Å; S103-S106 VanDerWaalsContact O-N 3.1Å; S103-L107 WeakPolarHBondContact O-CB 3.14Å; S103-L107 WeakPolarHBondContact O-CD1 3.36Å; S103-L107 PolarHBondContact O-N 3.37Å
104	R	95.3	Very high	94.8	Very high	116 Å²	116	57.2 Å²	57.2	44%	0.438	27%	0.265	S	S	.	.	H	α-helix	trans	-55.8	-42	-178.3	-164.5	-179.6	-172.4	104.9	1.6	112.7	V87 E88 H102 K108	V87-R104 HydrophobicContact CG1-CG 4.25Å; E88-R104 VanDerWaalsContact CD-NH1 3.32Å; E88-R104 VanDerWaalsContact CD-NH2 3.33Å; E88-R104 IonicContact OE1-CZ 2.74Å; E88-R104 IonicContact OE1-NE 3.94Å; E88-R104 IonicContact OE1-NH1 3.9Å; E88-R104 PolarHBondContact OE1-NH1 3.14Å; E88-R104 VanDerWaalsContact OE1-NH1 3.14Å; E88-R104 IonicContact OE1-NH2 3.3Å; E88-R104 PolarHBondContact OE1-NH2 3.42Å; E88-R104 IonicContact OE2-CZ 2.63Å; E88-R104 IonicContact OE2-NH1 2.83Å; E88-R104 PolarHBondContact OE2-NH1 2.9Å; E88-R104 IonicContact OE2-NH2 2.94Å; H102-R104 PolarHBondContact O-N 3.29Å; R104-K108 WeakPolarHBondContact O-CB 3.39Å; R104-K108 WeakPolarHBondContact O-CG 3.46Å; R104-K108 PolarHBondContact O-N 3.47Å
105	S	96.1	Very high	94.9	Very high	77 Å²	77	63.6 Å²	63.6	54%	0.538	30%	0.297	S	S	.	.	H	α-helix	trans	-70.4	-41.7	178	-60.4	0	0	0	0	111.7	H102 S103 K108 R109	H102-S105 WeakPolarHBondContact O-CB 3.23Å; H102-S105 PolarHBondContact O-N 2.69Å; S103-S105 VanDerWaalsContact C-N 3.29Å; S103-S105 PolarHBondContact O-N 3.26Å; S105-K108 PolarHBondContact O-N 3.28Å; S105-R109 PolarHBondContact O-N 3.06Å
106	S	95.6	Very high	95	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.007	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-46.1	175.8	-55.7	0	0	0	0	111.6	S66 L101 H102 S103 R109 V110	S66-S106 WeakPolarHBondContact CA-OG 3.45Å; S66-S106 WeakPolarHBondContact CB-OG 3.48Å; S66-S106 WeakPolarHBondContact O-CB 3.34Å; S66-S106 PolarHBondContact O-OG 3.22Å; L101-S106 PolarHBondContact O-OG 2.71Å; H102-S106 PolarHBondContact O-N 2.94Å; H102-S106 PolarHBondContact O-OG 3.17Å; S103-S106 WeakPolarHBondContact O-CB 3.38Å; S103-S106 PolarHBondContact O-N 2.84Å; S103-S106 VanDerWaalsContact O-N 3.1Å; S106-R109 WeakPolarHBondContact O-CB 3.33Å; S106-R109 PolarHBondContact O-N 3.45Å; S106-V110 WeakPolarHBondContact O-CG2 2.88Å; S106-V110 PolarHBondContact O-N 2.7Å
107	L	96.5	Very high	95.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-47.6	175.8	-86.3	78.5	0	0	0	111.5	I75 V87 T90 L91 I100 S103 R109 V110 L111	I75-L107 HydrophobicContact CD1-CD1 3.87Å; I75-L107 HydrophobicContact CD1-CG 4.27Å; I75-L107 HydrophobicContact CG1-CD1 4.06Å; I75-L107 HydrophobicContact CG1-CG 4.3Å; I75-L107 HydrophobicContact CG2-CG 3.88Å; V87-L107 HydrophobicContact CG1-CB 4.26Å; T90-L107 HydrophobicContact CG2-CD2 3.75Å; T90-L107 HydrophobicContact CG2-CG 4.47Å; L91-L107 HydrophobicContact CB-CD2 3.76Å; L91-L107 HydrophobicContact CD1-CD1 4.31Å; L91-L107 HydrophobicContact CD1-CD2 4.2Å; L91-L107 VanDerWaalsContact N-CD2 3.26Å; I100-L107 HydrophobicContact CD1-CD1 4.42Å; S103-L107 WeakPolarHBondContact O-CB 3.14Å; S103-L107 WeakPolarHBondContact O-CD1 3.36Å; S103-L107 PolarHBondContact O-N 3.37Å; L107-R109 VanDerWaalsContact C-N 3.26Å; L107-R109 PolarHBondContact O-N 3.09Å; L107-V110 PolarHBondContact O-N 2.99Å; L107-L111 WeakPolarHBondContact O-CB 3.36Å; L107-L111 VanDerWaalsContact O-CD1 3.31Å; L107-L111 WeakPolarHBondContact O-CD1 3.46Å; L107-L111 PolarHBondContact O-N 3.41Å
108	K	96.9	Very high	95.3	Very high	115 Å²	115	64.7 Å²	64.7	50%	0.5	30%	0.303	S	S	.	.	H	α-helix	trans	-54.1	-43.4	175.1	-80.8	179.7	176.3	-173.5	0	111.9	V87 R104 S105 R112	V87-K108 HydrophobicContact CG1-CG 4.18Å; V87-K108 HydrophobicContact CG2-CG 3.94Å; R104-K108 WeakPolarHBondContact O-CB 3.39Å; R104-K108 WeakPolarHBondContact O-CG 3.46Å; R104-K108 PolarHBondContact O-N 3.47Å; S105-K108 PolarHBondContact O-N 3.28Å; K108-R112 VanDerWaalsContact O-CB 3.24Å; K108-R112 WeakPolarHBondContact O-CB 3.24Å; K108-R112 PolarHBondContact O-N 3.26Å
109	R	96.4	Very high	95.3	Very high	87 Å²	87	72.8 Å²	72.8	33%	0.328	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-50.6	178.1	-177.7	-174	67	-115.9	-2	111.7	S66 D72 S105 S106 L107 R112	S66-R109 PolarHBondContact O-NH1 3.45Å; S66-R109 PolarHBondContact O-NH2 3.43Å; D72-R109 IonicContact OD1-CZ 3.78Å; D72-R109 IonicContact OD1-NH2 3.68Å; D72-R109 PolarHBondContact OD1-NH2 3.3Å; D72-R109 IonicContact OD2-NH2 2.88Å; S105-R109 PolarHBondContact O-N 3.06Å; S106-R109 WeakPolarHBondContact O-CB 3.33Å; S106-R109 PolarHBondContact O-N 3.45Å; L107-R109 VanDerWaalsContact C-N 3.26Å; L107-R109 PolarHBondContact O-N 3.09Å; R109-R112 PolarHBondContact O-N 3.05Å
110	V	96.1	Very high	95	Very high	8 Å²	8	74.6 Å²	74.6	5%	0.048	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-47.7	-179.2	176.5	0	0	0	0	110.8	D72 I75 R76 S106 L107 R112 S113	D72-V110 HydrophobicContact CB-CG2 3.89Å; D72-V110 VanDerWaalsContact OD1-CG2 3.28Å; D72-V110 WeakPolarHBondContact OD1-CG2 3.48Å; I75-V110 HydrophobicContact CB-CB 4.38Å; I75-V110 HydrophobicContact CB-CG1 4.15Å; I75-V110 HydrophobicContact CB-CG2 4.29Å; I75-V110 HydrophobicContact CD1-CG2 4Å; I75-V110 HydrophobicContact CG2-CB 3.78Å; I75-V110 HydrophobicContact CG2-CG1 3.72Å; I75-V110 HydrophobicContact CG2-CG2 4.17Å; R76-V110 HydrophobicContact CB-CG1 4.2Å; S106-V110 WeakPolarHBondContact O-CG2 2.88Å; S106-V110 PolarHBondContact O-N 2.7Å; L107-V110 PolarHBondContact O-N 2.99Å; V110-R112 VanDerWaalsContact C-N 3.31Å; V110-R112 PolarHBondContact O-N 3.11Å; V110-S113 WeakPolarHBondContact O-CB 3.23Å; V110-S113 PolarHBondContact O-N 3.44Å; V110-S113 PolarHBondContact O-OG 3.46Å
111	L	95.9	Very high	94.7	Very high	12 Å²	12	80.6 Å²	80.6	6%	0.063	38%	0.378	C	S	.	.	H	α-helix	trans	-66.4	-31.9	-178.5	-86.5	57.2	0	0	0	112.4	I75 H79 V87 T90 L107 S113 C114	I75-L111 HydrophobicContact CG2-CD1 3.79Å; H79-L111 HydrophobicContact CB-CD1 4Å; V87-L111 HydrophobicContact CB-CD2 4.47Å; V87-L111 HydrophobicContact CG2-CD2 3.88Å; T90-L111 HydrophobicContact CG2-CD1 4.43Å; L107-L111 WeakPolarHBondContact O-CB 3.36Å; L107-L111 VanDerWaalsContact O-CD1 3.31Å; L107-L111 WeakPolarHBondContact O-CD1 3.46Å; L107-L111 PolarHBondContact O-N 3.41Å; L111-S113 PolarHBondContact O-N 3.38Å; L111-C114 VanDerWaalsContact O-CB 3.23Å; L111-C114 WeakPolarHBondContact O-CB 3.31Å; L111-C114 PolarHBondContact O-N 3.47Å
112	R	95.1	Very high	94.5	Very high	203 Å²	203	81.1 Å²	81.1	77%	0.766	39%	0.389	S	S	*	.	H	α-helix	trans	-60.5	-26.1	173.3	-172.6	176.8	-177.4	-178.1	1.2	112.5	K108 R109 V110 K118	K108-R112 VanDerWaalsContact O-CB 3.24Å; K108-R112 WeakPolarHBondContact O-CB 3.24Å; K108-R112 PolarHBondContact O-N 3.26Å; R109-R112 PolarHBondContact O-N 3.05Å; V110-R112 VanDerWaalsContact C-N 3.31Å; V110-R112 PolarHBondContact O-N 3.11Å; R112-K118 WeakPolarHBondContact O-CE 3.44Å
113	S	94.5	Very high	94.1	Very high	50 Å²	50	79.9 Å²	79.9	35%	0.35	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.6	176	79.1	0	0	0	0	113.9	R76 V110 L111 I115	R76-S113 PolarHBondContact NH2-OG 3.18Å; V110-S113 WeakPolarHBondContact O-CB 3.23Å; V110-S113 PolarHBondContact O-N 3.44Å; V110-S113 PolarHBondContact O-OG 3.46Å; L111-S113 PolarHBondContact O-N 3.38Å; S113-I115 PolarHBondContact O-N 3.3Å
114	C	97.1	Very high	93.7	Very high	10 Å²	10	82.8 Å²	82.8	7%	0.068	41%	0.414	C	S	.	.			trans	-67.9	120	-180	-179.3	0	0	0	0	110.9	H84 L111 I116 C117 K118	H84-C114 PolarHBondContact CE1-SG 3.08Å; H84-C114 PolarHBondContact ND1-SG 2.92Å; L111-C114 VanDerWaalsContact O-CB 3.23Å; L111-C114 WeakPolarHBondContact O-CB 3.31Å; L111-C114 PolarHBondContact O-N 3.47Å; C114-I116 VanDerWaalsContact C-N 3.3Å; C114-I116 PolarHBondContact O-N 2.89Å; C114-C117 HydrophobicContact CB-CB 4.02Å; C114-C117 PolarHBondContact O-N 3.5Å; C114-K118 WeakPolarHBondContact O-CB 3.45Å; C114-K118 WeakPolarHBondContact O-CG 3.23Å; C114-K118 PolarHBondContact O-N 3.21Å
115	I	95.7	Very high	93.2	Very high	138 Å²	138	86.3 Å²	86.3	71%	0.708	43%	0.433	S	S	*	.	H	α-helix	trans	-62.7	-39.3	-177.8	-62.8	167.8	0	0	0	111	S113 K118 R119	S113-I115 PolarHBondContact O-N 3.3Å; I115-K118 PolarHBondContact O-N 2.91Å; I115-R119 WeakPolarHBondContact O-CB 3.49Å; I115-R119 PolarHBondContact O-N 2.96Å
116	I	95.2	Very high	92.7	Very high	74 Å²	74	89.2 Å²	89.2	38%	0.379	44%	0.438	S	S	.	.	H	α-helix	trans	-63.8	-51.2	179	-63	166.8	0	0	0	109.6	H84 C114 K118 R119 Q120	H84-I116 WeakPolarHBondContact NE2-CD1 3.48Å; C114-I116 VanDerWaalsContact C-N 3.3Å; C114-I116 PolarHBondContact O-N 2.89Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 3.03Å; I116-R119 PolarHBondContact O-N 3.06Å; I116-Q120 HydrophobicContact CG2-CG 4.32Å; I116-Q120 VanDerWaalsContact O-CG 3.28Å; I116-Q120 WeakPolarHBondContact O-CG 3.15Å; I116-Q120 PolarHBondContact O-N 3.4Å
117	C	95.4	Very high	92.2	Very high	16 Å²	16	96.7 Å²	96.7	11%	0.108	47%	0.473	C	S	.	.	H	α-helix	trans	-62.4	-38.1	176.2	-65.6	0	0	0	0	112.8	H79 C114 R119 Q120 N121	H79-C117 PolarHBondContact CE1-SG 3.15Å; H79-C117 PolarHBondContact NE2-SG 3.43Å; C114-C117 HydrophobicContact CB-CB 4.02Å; C114-C117 PolarHBondContact O-N 3.5Å; C117-R119 VanDerWaalsContact C-N 3.33Å; C117-R119 PolarHBondContact O-N 3.35Å; C117-Q120 PolarHBondContact O-N 3.34Å; C117-N121 WeakPolarHBondContact O-CB 3.43Å; C117-N121 PolarHBondContact O-N 2.93Å; C117-N121 PolarHBondContact O-ND2 3.09Å
118	K	95.2	Very high	91.5	Very high	126 Å²	126	106.3 Å²	106.3	55%	0.548	51%	0.514	S	S	.	.	H	α-helix	trans	-59.9	-44.8	175	-79.1	-176.6	-179.7	-174.6	0	111.5	R112 C114 I115 I116 A122	R112-K118 WeakPolarHBondContact O-CE 3.44Å; C114-K118 WeakPolarHBondContact O-CB 3.45Å; C114-K118 WeakPolarHBondContact O-CG 3.23Å; C114-K118 PolarHBondContact O-N 3.21Å; I115-K118 PolarHBondContact O-N 2.91Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 3.03Å; K118-A122 PolarHBondContact O-N 3.3Å; K118-A122 VanDerWaalsContact O-N 3.08Å
119	R	93.5	Very high	90.9	Very high	181 Å²	181	107.9 Å²	107.9	68%	0.683	53%	0.527	S	S	*	.	H	α-helix	trans	-66.2	-44.2	178.4	-171.6	176.7	69.6	-175.7	1.9	111.8	I115 I116 C117 A122	I115-R119 WeakPolarHBondContact O-CB 3.49Å; I115-R119 PolarHBondContact O-N 2.96Å; I116-R119 PolarHBondContact O-N 3.06Å; C117-R119 VanDerWaalsContact C-N 3.33Å; C117-R119 PolarHBondContact O-N 3.35Å; R119-A122 WeakPolarHBondContact O-CB 3.28Å; R119-A122 PolarHBondContact O-N 2.85Å
120	Q	89.3	Confident	90.3	Very high	134 Å²	134	106.6 Å²	106.6	63%	0.626	54%	0.54	S	S	*	.	H	α-helix	trans	-69.6	-33.9	-178.5	-66.6	-59.8	-18	0	0	113.1	I116 C117	I116-Q120 HydrophobicContact CG2-CG 4.32Å; I116-Q120 VanDerWaalsContact O-CG 3.28Å; I116-Q120 WeakPolarHBondContact O-CG 3.15Å; I116-Q120 PolarHBondContact O-N 3.4Å; C117-Q120 PolarHBondContact O-N 3.34Å
121	N	88.5	Confident	89.7	Confident	130 Å²	130	112.2 Å²	112.2	70%	0.695	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	9.7	178.7	-61	-65.6	0	0	0	112.7	C117	C117-N121 WeakPolarHBondContact O-CB 3.43Å; C117-N121 PolarHBondContact O-N 2.93Å; C117-N121 PolarHBondContact O-ND2 3.09Å
122	A	89.3	Confident	89	Confident	59 Å²	59	116.5 Å²	116.5	49%	0.488	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-63.2	129.3	177.3	0	0	0	0	0	108.7	K118 R119	K118-A122 PolarHBondContact O-N 3.3Å; K118-A122 VanDerWaalsContact O-N 3.08Å; R119-A122 WeakPolarHBondContact O-CB 3.28Å; R119-A122 PolarHBondContact O-N 2.85Å
123	P	85.5	Confident	88.3	Confident	114 Å²	114	109.8 Å²	109.8	74%	0.74	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-60.9	146.6	174.2	27.4	-33.7	0	0	0	109.2
124	S	84.8	Confident	87.4	Confident	87 Å²	87	111.3 Å²	111.3	61%	0.608	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-59.4	148.3	168.8	52.9	0	0	0	0	109.9	Q126	S124-Q126 PolarHBondContact O-N 2.97Å; S124-Q126 PolarHBondContact O-NE2 3.29Å; S124-Q126 PolarHBondContact OG-NE2 3.07Å
125	F	85.1	Confident	86.4	Confident	191 Å²	191	117.2 Å²	117.2	84%	0.838	62%	0.621	S	S	*	*			trans	-52.7	115.4	174.5	176.7	-99.3	0	0	0	109.6
126	Q	84.3	Confident	85.3	Confident	138 Å²	138	119.9 Å²	119.9	65%	0.645	62%	0.622	S	S	*	*			trans	-90.1	116.6	176.1	-60.6	-63.4	-53.8	0	0	107.7	S124 K128	S124-Q126 PolarHBondContact O-N 2.97Å; S124-Q126 PolarHBondContact O-NE2 3.29Å; S124-Q126 PolarHBondContact OG-NE2 3.07Å; Q126-K128 PolarHBondContact O-N 3.04Å
127	Q	86.2	Confident	84.1	Confident	157 Å²	157	119 Å²	119	73%	0.734	62%	0.62	S	S	*	*			trans	-64.3	128.1	171.4	-174.9	177.7	9.1	0	0	108.8	I129	Q127-I129 PolarHBondContact O-N 3.35Å
128	K	81.6	Confident	82.9	Confident	202 Å²	202	121.8 Å²	121.8	88%	0.878	64%	0.639	S	S	*	*			trans	-66.2	108.9	168.4	-72	-173	178.6	-177.3	0	108	Q126	Q126-K128 PolarHBondContact O-N 3.04Å
129	I	84.1	Confident	81.5	Confident	148 Å²	148	116.8 Å²	116.8	76%	0.759	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-72.4	129.4	174.2	-55.2	174.8	0	0	0	106.8	Q127	Q127-I129 PolarHBondContact O-N 3.35Å
130	G	83.9	Confident	80.8	Confident	60 Å²	60	115.2 Å²	115.2	62%	0.619	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-63.4	159.9	174.9	0	0	0	0	0	111.4	L132	G130-L132 PolarHBondContact O-N 3.31Å
131	S	84.2	Confident	80.3	Confident	127 Å²	127	115.3 Å²	115.3	89%	0.888	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-53.3	129	174.6	-54.7	0	0	0	0	110.1
132	L	79.7	Confident	79.9	Confident	102 Å²	102	112.3 Å²	112.3	53%	0.534	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-63.8	136.2	176.5	-68.5	168	0	0	0	108.7	G130 V137	G130-L132 PolarHBondContact O-N 3.31Å; L132-V137 HydrophobicContact CB-CG2 3.56Å; L132-V137 HydrophobicContact CD1-CG2 4.24Å
133	P	80.8	Confident	79.5	Confident	62 Å²	62	113.8 Å²	113.8	40%	0.403	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-61.4	147.2	178.5	27.8	-35.6	0	0	0	110	E135 R136	P133-E135 WeakPolarHBondContact CB-OE2 3.26Å; P133-E135 PolarHBondContact O-N 2.96Å; P133-E135 VanDerWaalsContact O-N 3.07Å; P133-R136 HydrophobicContact CG-CB 4.37Å; P133-R136 HydrophobicContact CG-CG 4.03Å; P133-R136 PolarHBondContact O-N 3.38Å
134	P	75	Confident	79.4	Confident	81 Å²	81	113.1 Å²	113.1	53%	0.526	59%	0.587	S	S	.	*	H	α-helix	trans	-58.4	-27.5	-173.6	23.8	-32.9	0	0	0	112	R136 V137 S138	P134-R136 PolarHBondContact O-N 2.81Å; P134-V137 PolarHBondContact O-N 3.39Å; P134-S138 WeakPolarHBondContact O-CA 3.18Å; P134-S138 WeakPolarHBondContact O-CB 3.19Å; P134-S138 PolarHBondContact O-N 3.02Å; P134-S138 PolarHBondContact O-OG 3.22Å
135	E	76.5	Confident	79.4	Confident	135 Å²	135	112.8 Å²	112.8	63%	0.631	58%	0.575	S	S	*	*	H	α-helix	trans	-64.3	-25.3	176	-59	74.1	-161.4	0	0	112.7	P133 A139	P133-E135 WeakPolarHBondContact CB-OE2 3.26Å; P133-E135 PolarHBondContact O-N 2.96Å; P133-E135 VanDerWaalsContact O-N 3.07Å; E135-A139 VanDerWaalsContact O-CB 3.24Å; E135-A139 WeakPolarHBondContact O-CB 3.44Å
136	R	72.3	Confident	79.5	Confident	194 Å²	194	104.9 Å²	104.9	73%	0.732	54%	0.542	S	S	*	.	H	α-helix	trans	-86.6	-25.3	175.4	-74.6	-170	-177.2	-156.4	1.5	113.6	P133 P134	P133-R136 HydrophobicContact CG-CB 4.37Å; P133-R136 HydrophobicContact CG-CG 4.03Å; P133-R136 PolarHBondContact O-N 3.38Å; P134-R136 PolarHBondContact O-N 2.81Å
137	V	71.8	Confident	79.6	Confident	56 Å²	56	101.4 Å²	101.4	34%	0.339	54%	0.536	S	S	.	.	H	α-helix	trans	-101.6	-37.5	-174	-171.5	0	0	0	0	111.7	L132 P134 F155	L132-V137 HydrophobicContact CB-CG2 3.56Å; L132-V137 HydrophobicContact CD1-CG2 4.24Å; P134-V137 PolarHBondContact O-N 3.39Å; V137-F155 HydrophobicContact CG1-CE2 4.03Å; V137-F155 HydrophobicContact CG1-CZ 3.78Å
138	S	70.2	Confident	79.7	Confident	73 Å²	73	98.3 Å²	98.3	51%	0.51	53%	0.532	S	S	.	.	S	Bend	trans	-97.5	2.2	-178.7	79.7	0	0	0	0	113.5	P134 K140	P134-S138 WeakPolarHBondContact O-CA 3.18Å; P134-S138 WeakPolarHBondContact O-CB 3.19Å; P134-S138 PolarHBondContact O-N 3.02Å; P134-S138 PolarHBondContact O-OG 3.22Å; S138-K140 VanDerWaalsContact C-N 3.28Å; S138-K140 WeakPolarHBondContact O-CA 3.33Å; S138-K140 PolarHBondContact O-N 3.37Å
139	A	65.7	Low	80	Confident	21 Å²	21	95.5 Å²	95.5	17%	0.174	52%	0.516	C	S	.	.			trans	-41.5	91.9	-171	0	0	0	0	0	110.8	E135 H141 V142 Y143	E135-A139 VanDerWaalsContact O-CB 3.24Å; E135-A139 WeakPolarHBondContact O-CB 3.44Å; A139-H141 PolarHBondContact O-N 3.39Å; A139-H141 VanDerWaalsContact O-N 3.14Å; A139-V142 HydrophobicContact CB-CB 3.75Å; A139-V142 HydrophobicContact CB-CG2 3.45Å; A139-V142 VanDerWaalsContact CB-CG2 3.45Å; A139-V142 WeakPolarHBondContact O-CA 3.2Å; A139-V142 WeakPolarHBondContact O-CB 3.36Å; A139-V142 PolarHBondContact O-N 2.83Å; A139-Y143 PolarHBondContact O-N 3.34Å
140	K	78	Confident	80	Confident	149 Å²	149	98.8 Å²	98.8	65%	0.648	52%	0.519	S	S	*	.	H	α-helix	trans	-56.8	-39.1	-172.9	176	177.6	167.4	178.7	0	108.9	S138 V142 Y143 E144	S138-K140 VanDerWaalsContact C-N 3.28Å; S138-K140 WeakPolarHBondContact O-CA 3.33Å; S138-K140 PolarHBondContact O-N 3.37Å; K140-V142 PolarHBondContact O-N 3.31Å; K140-Y143 PolarHBondContact O-N 3.14Å; K140-E144 WeakPolarHBondContact CE-OE1 3.1Å; K140-E144 HydrophobicContact CG-CG 4.27Å; K140-E144 WeakPolarHBondContact CG-OE1 3.4Å; K140-E144 IonicContact NZ-OE1 3.81Å; K140-E144 WeakPolarHBondContact O-CB 3.17Å; K140-E144 VanDerWaalsContact O-CG 3.23Å; K140-E144 WeakPolarHBondContact O-CG 3.19Å; K140-E144 PolarHBondContact O-N 3.26Å
141	H	78.6	Confident	80	Confident	136 Å²	136	98.3 Å²	98.3	63%	0.63	50%	0.501	S	S	*	.	H	α-helix	trans	-59.7	-38.5	172.3	-175.7	-92.7	0	0	0	114.3	A139 H145	A139-H141 PolarHBondContact O-N 3.39Å; A139-H141 VanDerWaalsContact O-N 3.14Å; H141-H145 WeakPolarHBondContact O-CB 3.42Å; H141-H145 PolarHBondContact O-N 3.21Å
142	V	80.9	Confident	79.8	Confident	67 Å²	67	98.6 Å²	98.6	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-67.8	-45.5	175.2	176.5	0	0	0	0	109.8	A139 K140 H145 L146	A139-V142 HydrophobicContact CB-CB 3.75Å; A139-V142 HydrophobicContact CB-CG2 3.45Å; A139-V142 VanDerWaalsContact CB-CG2 3.45Å; A139-V142 WeakPolarHBondContact O-CA 3.2Å; A139-V142 WeakPolarHBondContact O-CB 3.36Å; A139-V142 PolarHBondContact O-N 2.83Å; K140-V142 PolarHBondContact O-N 3.31Å; V142-H145 PolarHBondContact O-N 3.12Å; V142-L146 HydrophobicContact CG1-CD1 3.77Å; V142-L146 HydrophobicContact CG1-CG 4.21Å; V142-L146 VanDerWaalsContact O-CB 3.3Å; V142-L146 WeakPolarHBondContact O-CB 3.44Å; V142-L146 WeakPolarHBondContact O-CG 3.42Å; V142-L146 PolarHBondContact O-N 3.08Å
143	Y	80.7	Confident	79.9	Confident	89 Å²	89	100 Å²	100	35%	0.349	49%	0.49	S	S	.	.	H	α-helix	trans	-61.4	-44.2	175.2	-79.3	-82.4	0	0	0	112.1	A139 K140 L146 A147 W153 F155	A139-Y143 PolarHBondContact O-N 3.34Å; K140-Y143 PolarHBondContact O-N 3.14Å; Y143-L146 PolarHBondContact O-N 2.95Å; Y143-A147 WeakPolarHBondContact O-CB 3.5Å; Y143-A147 PolarHBondContact O-N 3.43Å; Y143-W153 HydrophobicContact CD1-CB 4.23Å; Y143-W153 HydrophobicContact CE1-CB 3.79Å; Y143-W153 HydrophobicContact CE1-CG 4.27Å; Y143-W153 AromaticContact CZ-CD1 3.97Å; Y143-F155 WeakPolarHBondContact OH-CE2 3.42Å
144	E	83.3	Confident	79.8	Confident	100 Å²	100	104.6 Å²	104.6	47%	0.467	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-44.6	177.1	-75.4	170.2	166.4	0	0	111.5	K140 A147 S148	K140-E144 WeakPolarHBondContact CE-OE1 3.1Å; K140-E144 HydrophobicContact CG-CG 4.27Å; K140-E144 WeakPolarHBondContact CG-OE1 3.4Å; K140-E144 IonicContact NZ-OE1 3.81Å; K140-E144 WeakPolarHBondContact O-CB 3.17Å; K140-E144 VanDerWaalsContact O-CG 3.23Å; K140-E144 WeakPolarHBondContact O-CG 3.19Å; K140-E144 PolarHBondContact O-N 3.26Å; E144-A147 PolarHBondContact O-N 2.93Å; E144-S148 WeakPolarHBondContact O-CB 3.34Å; E144-S148 PolarHBondContact O-N 3.24Å
145	H	84.4	Confident	80.1	Confident	81 Å²	81	106.7 Å²	106.7	38%	0.375	51%	0.505	S	S	.	.	H	α-helix	trans	-61.7	-48.2	176.6	-174	81.5	0	0	0	111.4	H141 V142 S148 R149	H141-H145 WeakPolarHBondContact O-CB 3.42Å; H141-H145 PolarHBondContact O-N 3.21Å; V142-H145 PolarHBondContact O-N 3.12Å; H145-S148 PolarHBondContact O-N 3.07Å; H145-S148 PolarHBondContact O-OG 2.92Å; H145-R149 PolarHBondContact NE2-NE 3.2Å; H145-R149 VanDerWaalsContact NE2-NE 3.14Å; H145-R149 PolarHBondContact O-N 3.04Å
146	L	86.5	Confident	80.3	Confident	25 Å²	25	103.3 Å²	103.3	13%	0.131	49%	0.49	C	S	.	.	H	α-helix	trans	-65.9	-41.1	178	-68.3	178.7	0	0	0	111.4	V142 Y143 S148 R149 R150 I151 W153	V142-L146 HydrophobicContact CG1-CD1 3.77Å; V142-L146 HydrophobicContact CG1-CG 4.21Å; V142-L146 VanDerWaalsContact O-CB 3.3Å; V142-L146 WeakPolarHBondContact O-CB 3.44Å; V142-L146 WeakPolarHBondContact O-CG 3.42Å; V142-L146 PolarHBondContact O-N 3.08Å; Y143-L146 PolarHBondContact O-N 2.95Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.28Å; L146-R149 CarbonylContact O-C 3.3Å; L146-R149 VanDerWaalsContact O-C 3.3Å; L146-R149 WeakPolarHBondContact O-CA 3.31Å; L146-R149 PolarHBondContact O-N 3.19Å; L146-R150 PolarHBondContact O-N 2.9Å; L146-R150 VanDerWaalsContact O-N 3.09Å; L146-I151 CarbonylContact C-O 3.34Å; L146-I151 HydrophobicContact CB-CB 4.02Å; L146-I151 HydrophobicContact CB-CG2 4.31Å; L146-I151 HydrophobicContact CD2-CB 4.19Å; L146-I151 HydrophobicContact CD2-CD1 3.93Å; L146-I151 HydrophobicContact CD2-CG2 4.1Å; L146-I151 WeakPolarHBondContact O-CB 3.41Å; L146-I151 PolarHBondContact O-N 3.01Å; L146-W153 HydrophobicContact CD1-CB 4.04Å; L146-W153 HydrophobicContact CD1-CD2 4.03Å; L146-W153 HydrophobicContact CD1-CE3 3.37Å; L146-W153 HydrophobicContact CD1-CG 4.35Å; L146-W153 HydrophobicContact CD1-CZ3 4.07Å
147	A	86.6	Confident	80.8	Confident	64 Å²	64	98.7 Å²	98.7	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-38.1	175.8	0	0	0	0	0	112	Y143 E144 R149 R150	Y143-A147 WeakPolarHBondContact O-CB 3.5Å; Y143-A147 PolarHBondContact O-N 3.43Å; E144-A147 PolarHBondContact O-N 2.93Å; A147-R149 PolarHBondContact O-N 3.2Å; A147-R150 WeakPolarHBondContact O-CA 3.32Å; A147-R150 PolarHBondContact O-N 3.11Å
148	S	90	Very high	80.9	Confident	92 Å²	92	104.1 Å²	104.1	64%	0.643	51%	0.506	S	S	*	.	H	α-helix	trans	-60.3	-27.2	173.2	81.3	0	0	0	0	112.5	E144 H145 L146	E144-S148 WeakPolarHBondContact O-CB 3.34Å; E144-S148 PolarHBondContact O-N 3.24Å; H145-S148 PolarHBondContact O-N 3.07Å; H145-S148 PolarHBondContact O-OG 2.92Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.28Å
149	R	86	Confident	81.3	Confident	143 Å²	143	108.5 Å²	108.5	54%	0.54	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	9.2	174	-64.8	-178.3	178.1	-97.4	-0.9	113.2	H145 L146 A147 I151	H145-R149 PolarHBondContact NE2-NE 3.2Å; H145-R149 VanDerWaalsContact NE2-NE 3.14Å; H145-R149 PolarHBondContact O-N 3.04Å; L146-R149 CarbonylContact O-C 3.3Å; L146-R149 VanDerWaalsContact O-C 3.3Å; L146-R149 WeakPolarHBondContact O-CA 3.31Å; L146-R149 PolarHBondContact O-N 3.19Å; A147-R149 PolarHBondContact O-N 3.2Å; R149-I151 HydrophobicContact CB-CD1 3.95Å; R149-I151 HydrophobicContact CB-CG1 4.15Å; R149-I151 PolarHBondContact O-N 3.41Å
150	R	86	Confident	82.1	Confident	217 Å²	217	108.9 Å²	108.9	82%	0.819	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	27.2	-177.6	-53.5	178.3	179	175.3	-0.7	114	L146 A147	L146-R150 PolarHBondContact O-N 2.9Å; L146-R150 VanDerWaalsContact O-N 3.09Å; A147-R150 WeakPolarHBondContact O-CA 3.32Å; A147-R150 PolarHBondContact O-N 3.11Å
151	I	82.9	Confident	82	Confident	50 Å²	50	105.9 Å²	105.9	26%	0.256	52%	0.515	S	S	.	.			trans	-93.3	122.1	176.4	-61	168.4	0	0	0	108.9	L146 R149	L146-I151 CarbonylContact C-O 3.34Å; L146-I151 HydrophobicContact CB-CB 4.02Å; L146-I151 HydrophobicContact CB-CG2 4.31Å; L146-I151 HydrophobicContact CD2-CB 4.19Å; L146-I151 HydrophobicContact CD2-CD1 3.93Å; L146-I151 HydrophobicContact CD2-CG2 4.1Å; L146-I151 WeakPolarHBondContact O-CB 3.41Å; L146-I151 PolarHBondContact O-N 3.01Å; R149-I151 HydrophobicContact CB-CD1 3.95Å; R149-I151 HydrophobicContact CB-CG1 4.15Å; R149-I151 PolarHBondContact O-N 3.41Å
152	I	80.6	Confident	82	Confident	134 Å²	134	108.4 Å²	108.4	69%	0.687	52%	0.519	S	S	*	.			trans	-92.5	110.6	175.6	-53.9	174.9	0	0	0	108.6	K154	I152-K154 HydrophobicContact CG2-CD 4.42Å; I152-K154 HydrophobicContact CG2-CG 3.93Å
153	W	80.6	Confident	81.8	Confident	131 Å²	131	108.9 Å²	108.9	50%	0.496	52%	0.519	S	S	.	.			trans	-77.9	123.5	173	-168.1	-91.1	0	0	0	110.4	Y143 L146 F155	Y143-W153 HydrophobicContact CD1-CB 4.23Å; Y143-W153 HydrophobicContact CE1-CB 3.79Å; Y143-W153 HydrophobicContact CE1-CG 4.27Å; Y143-W153 AromaticContact CZ-CD1 3.97Å; L146-W153 HydrophobicContact CD1-CB 4.04Å; L146-W153 HydrophobicContact CD1-CD2 4.03Å; L146-W153 HydrophobicContact CD1-CE3 3.37Å; L146-W153 HydrophobicContact CD1-CG 4.35Å; L146-W153 HydrophobicContact CD1-CZ3 4.07Å; W153-F155 AromaticContact NE1-CD1 3.96Å; W153-F155 AromaticContact NE1-CE1 3.5Å; W153-F155 AromaticContact NE1-CE2 3.97Å; W153-F155 AromaticContact NE1-CZ 3.5Å
154	K	79.3	Confident	81.7	Confident	159 Å²	159	104.6 Å²	104.6	69%	0.691	50%	0.503	S	S	*	.			trans	-128.1	122.8	178.9	-63.3	-175.5	-179.7	179.9	0	109.5	I152	I152-K154 HydrophobicContact CG2-CD 4.42Å; I152-K154 HydrophobicContact CG2-CG 3.93Å
155	F	80.6	Confident	81.5	Confident	125 Å²	125	100.8 Å²	100.8	55%	0.548	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-75.4	141.7	170.3	-71.1	-69.3	0	0	0	110.3	V137 Y143 W153	V137-F155 HydrophobicContact CG1-CE2 4.03Å; V137-F155 HydrophobicContact CG1-CZ 3.78Å; Y143-F155 WeakPolarHBondContact OH-CE2 3.42Å; W153-F155 AromaticContact NE1-CD1 3.96Å; W153-F155 AromaticContact NE1-CE1 3.5Å; W153-F155 AromaticContact NE1-CE2 3.97Å; W153-F155 AromaticContact NE1-CZ 3.5Å
156	I	82	Confident	80.9	Confident	64 Å²	64	98.2 Å²	98.2	33%	0.328	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-75.1	144.6	164.2	-67.5	167.4	0	0	0	107.8	E158 S160 D163 W167	I156-E158 PolarHBondContact O-N 3.18Å; I156-S160 WeakPolarHBondContact CG2-O 3.39Å; I156-D163 HydrophobicContact CG2-CB 3.81Å; I156-W167 HydrophobicContact CD1-CZ2 3.76Å
157	T	82	Confident	80.5	Confident	97 Å²	97	102.6 Å²	102.6	60%	0.595	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-55	129.5	173.1	-53.1	0	0	0	0	109.9	Q159 S160	T157-Q159 PolarHBondContact O-N 3.25Å; T157-S160 WeakPolarHBondContact O-CB 3.38Å; T157-S160 PolarHBondContact O-N 3.4Å
158	E	74.7	Confident	80.3	Confident	170 Å²	170	103.3 Å²	103.3	79%	0.794	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	139.1	175.3	-163.7	-178.6	171.9	0	0	109.5	I156 S160	I156-E158 PolarHBondContact O-N 3.18Å; E158-S160 VanDerWaalsContact C-N 3.25Å; E158-S160 PolarHBondContact O-N 3.37Å
159	Q	78.6	Confident	79.7	Confident	165 Å²	165	106 Å²	106	77%	0.771	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	5.7	-175	-42.3	179.9	13	0	0	116.7	T157 P161 W162	T157-Q159 PolarHBondContact O-N 3.25Å; Q159-P161 WeakPolarHBondContact O-CD 3.39Å; Q159-W162 VanDerWaalsContact O-CH2 3.23Å; Q159-W162 WeakPolarHBondContact O-CH2 3.32Å; Q159-W162 WeakPolarHBondContact O-CZ3 3.22Å
160	S	82.4	Confident	79.3	Confident	28 Å²	28	100.2 Å²	100.2	20%	0.196	47%	0.466	C	S	.	.			trans	-112	54.8	175.1	-58.2	0	0	0	0	113.4	I156 T157 E158 W162 D163	I156-S160 WeakPolarHBondContact CG2-O 3.39Å; T157-S160 WeakPolarHBondContact O-CB 3.38Å; T157-S160 PolarHBondContact O-N 3.4Å; E158-S160 VanDerWaalsContact C-N 3.25Å; E158-S160 PolarHBondContact O-N 3.37Å; S160-W162 PolarHBondContact O-N 2.94Å; S160-W162 VanDerWaalsContact O-N 3.09Å; S160-D163 VanDerWaalsContact O-CB 3.26Å; S160-D163 WeakPolarHBondContact O-CB 3.24Å; S160-D163 PolarHBondContact O-N 2.83Å
161	P	75.9	Confident	79.1	Confident	87 Å²	87	92.1 Å²	92.1	57%	0.565	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-61.7	-23.3	-175	27.7	-36.3	0	0	0	113.9	Q159 D163 G164	Q159-P161 WeakPolarHBondContact O-CD 3.39Å; P161-D163 PolarHBondContact O-N 3.15Å; P161-G164 PolarHBondContact O-N 3.35Å
162	W	77.6	Confident	79	Confident	189 Å²	189	96.3 Å²	96.3	72%	0.716	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-69.3	-19	177.5	54.8	81.4	0	0	0	113.7	Q159 S160 G164 G165	Q159-W162 VanDerWaalsContact O-CH2 3.23Å; Q159-W162 WeakPolarHBondContact O-CH2 3.32Å; Q159-W162 WeakPolarHBondContact O-CZ3 3.22Å; S160-W162 PolarHBondContact O-N 2.94Å; S160-W162 VanDerWaalsContact O-N 3.09Å; W162-G164 PolarHBondContact O-N 3.04Å; W162-G165 PolarHBondContact O-N 3.14Å
163	D	77.4	Confident	78.7	Confident	76 Å²	76	91.9 Å²	91.9	41%	0.406	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-60.8	-27.1	178.4	-161.2	31.7	0	0	0	111.3	I156 S160 P161	I156-D163 HydrophobicContact CG2-CB 3.81Å; S160-D163 VanDerWaalsContact O-CB 3.26Å; S160-D163 WeakPolarHBondContact O-CB 3.24Å; S160-D163 PolarHBondContact O-N 2.83Å; P161-D163 PolarHBondContact O-N 3.15Å
164	G	78.9	Confident	78.5	Confident	0 Å²	0	86.7 Å²	86.7	0%	0	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-82.8	-3.5	173.9	0	0	0	0	0	116.1	P161 W162 A166 W167 E168	P161-G164 PolarHBondContact O-N 3.35Å; W162-G164 PolarHBondContact O-N 3.04Å; G164-A166 VanDerWaalsContact C-N 3.27Å; G164-A166 PolarHBondContact O-N 3.28Å; G164-A166 VanDerWaalsContact O-N 3.08Å; G164-W167 VanDerWaalsContact CA-CE2 3.5Å; G164-W167 PolarHBondContact O-N 3.16Å; G164-E168 WeakPolarHBondContact O-CB 3.37Å; G164-E168 VanDerWaalsContact O-CG 3.32Å; G164-E168 WeakPolarHBondContact O-CG 3.13Å; G164-E168 PolarHBondContact O-N 2.84Å
165	G	79.2	Confident	78.6	Confident	19 Å²	19	85.7 Å²	85.7	20%	0.196	41%	0.412	C	S	.	.	H	α-helix	trans	-62.6	-26.6	-164.3	0	0	0	0	0	115.4	W162 R169	W162-G165 PolarHBondContact O-N 3.14Å; G165-R169 WeakPolarHBondContact O-CB 3.46Å; G165-R169 WeakPolarHBondContact O-CG 3.42Å; G165-R169 PolarHBondContact O-N 3.38Å; G165-R169 PolarHBondContact O-NE 3.28Å
166	A	71.6	Confident	78.4	Confident	28 Å²	28	81.7 Å²	81.7	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-71.7	-53.3	177.3	0	0	0	0	0	112	G164 R169 L170	G164-A166 VanDerWaalsContact C-N 3.27Å; G164-A166 PolarHBondContact O-N 3.28Å; G164-A166 VanDerWaalsContact O-N 3.08Å; A166-R169 PolarHBondContact O-N 2.73Å; A166-L170 PolarHBondContact O-N 3.35Å; A166-L170 VanDerWaalsContact O-N 3.16Å
167	W	78.1	Confident	77.9	Confident	117 Å²	117	79 Å²	79	44%	0.443	39%	0.385	S	S	.	.	H	α-helix	trans	-73.1	-33.4	-178.9	60.9	-103.6	0	0	0	112	I156 G164 R169 L170 V171 I292	I156-W167 HydrophobicContact CD1-CZ2 3.76Å; G164-W167 VanDerWaalsContact CA-CE2 3.5Å; G164-W167 PolarHBondContact O-N 3.16Å; W167-R169 VanDerWaalsContact C-N 3.29Å; W167-R169 PolarHBondContact O-N 2.97Å; W167-L170 WeakPolarHBondContact O-CB 3.27Å; W167-L170 PolarHBondContact O-N 2.63Å; W167-L170 VanDerWaalsContact O-N 3.14Å; W167-V171 HydrophobicContact CE3-CG2 4.4Å; W167-V171 WeakPolarHBondContact O-CG2 3.26Å; W167-V171 PolarHBondContact O-N 2.64Å; W167-I292 HydrophobicContact CB-CD1 3.34Å; W167-I292 HydrophobicContact CB-CG1 4.14Å
168	E	81.9	Confident	77.6	Confident	78 Å²	78	75.9 Å²	75.9	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-39	172.2	-74.8	-175.2	179.7	0	0	112.2	G164 R172	G164-E168 WeakPolarHBondContact O-CB 3.37Å; G164-E168 VanDerWaalsContact O-CG 3.32Å; G164-E168 WeakPolarHBondContact O-CG 3.13Å; G164-E168 PolarHBondContact O-N 2.84Å; E168-R172 WeakPolarHBondContact O-CB 3.16Å; E168-R172 PolarHBondContact O-N 3.3Å
169	R	77.4	Confident	77.9	Confident	150 Å²	150	75.5 Å²	75.5	57%	0.566	36%	0.361	S	S	*	.	H	α-helix	trans	-63.9	-42	173.3	-80.2	-177.7	-69.5	167.7	-3.1	111.7	G165 A166 W167 R172 S173	G165-R169 WeakPolarHBondContact O-CB 3.46Å; G165-R169 WeakPolarHBondContact O-CG 3.42Å; G165-R169 PolarHBondContact O-N 3.38Å; G165-R169 PolarHBondContact O-NE 3.28Å; A166-R169 PolarHBondContact O-N 2.73Å; W167-R169 VanDerWaalsContact C-N 3.29Å; W167-R169 PolarHBondContact O-N 2.97Å; R169-R172 PolarHBondContact O-N 3.49Å; R169-S173 PolarHBondContact O-N 3.22Å; R169-S173 PolarHBondContact O-OG 3.4Å
170	L	77	Confident	77.8	Confident	20 Å²	20	72 Å²	72	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-47.4	175.5	-73.8	169.3	0	0	0	112	A166 W167 R172 S173 V174 L289 I292	A166-L170 PolarHBondContact O-N 3.35Å; A166-L170 VanDerWaalsContact O-N 3.16Å; W167-L170 WeakPolarHBondContact O-CB 3.27Å; W167-L170 PolarHBondContact O-N 2.63Å; W167-L170 VanDerWaalsContact O-N 3.14Å; L170-R172 VanDerWaalsContact C-N 3.3Å; L170-R172 PolarHBondContact O-N 3.25Å; L170-S173 WeakPolarHBondContact O-CB 3.15Å; L170-S173 PolarHBondContact O-N 2.89Å; L170-S173 VanDerWaalsContact O-N 3.07Å; L170-V174 WeakPolarHBondContact O-CG2 3.5Å; L170-V174 PolarHBondContact O-N 3.07Å; L170-L289 HydrophobicContact CD1-CD2 3.81Å; L170-I292 HydrophobicContact CB-CD1 4.47Å; L170-I292 HydrophobicContact CD1-CD1 3.71Å
171	V	82.5	Confident	77.3	Confident	48 Å²	48	71.4 Å²	71.4	29%	0.291	34%	0.338	S	S	.	.	H	α-helix	trans	-59.5	-41.1	176.3	171.4	0	0	0	0	111	W167 S173 V174 K175	W167-V171 HydrophobicContact CE3-CG2 4.4Å; W167-V171 WeakPolarHBondContact O-CG2 3.26Å; W167-V171 PolarHBondContact O-N 2.64Å; V171-S173 VanDerWaalsContact C-N 3.34Å; V171-S173 PolarHBondContact O-N 2.82Å; V171-V174 PolarHBondContact O-N 2.92Å; V171-K175 HydrophobicContact CG1-CD 3.88Å; V171-K175 HydrophobicContact CG1-CG 4.28Å; V171-K175 WeakPolarHBondContact O-CB 3.26Å; V171-K175 WeakPolarHBondContact O-CG 3.19Å; V171-K175 PolarHBondContact O-N 3.17Å
172	R	80.9	Confident	77.2	Confident	138 Å²	138	69.2 Å²	69.2	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-43.7	174.1	-174.9	-176.1	-62.6	99.7	1.5	111.6	E168 R169 L170 K175 T176	E168-R172 WeakPolarHBondContact O-CB 3.16Å; E168-R172 PolarHBondContact O-N 3.3Å; R169-R172 PolarHBondContact O-N 3.49Å; L170-R172 VanDerWaalsContact C-N 3.3Å; L170-R172 PolarHBondContact O-N 3.25Å; R172-K175 PolarHBondContact O-N 3.28Å; R172-T176 VanDerWaalsContact O-CB 3.22Å; R172-T176 WeakPolarHBondContact O-CB 3.42Å; R172-T176 PolarHBondContact O-N 3.07Å; R172-T176 PolarHBondContact O-OG1 3.15Å
173	S	74.5	Confident	77	Confident	40 Å²	40	67 Å²	67	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-46.3	177.3	-62	0	0	0	0	111.7	R169 L170 V171 T176 A177	R169-S173 PolarHBondContact O-N 3.22Å; R169-S173 PolarHBondContact O-OG 3.4Å; L170-S173 WeakPolarHBondContact O-CB 3.15Å; L170-S173 PolarHBondContact O-N 2.89Å; L170-S173 VanDerWaalsContact O-N 3.07Å; V171-S173 VanDerWaalsContact C-N 3.34Å; V171-S173 PolarHBondContact O-N 2.82Å; S173-T176 PolarHBondContact O-N 3.05Å; S173-A177 WeakPolarHBondContact O-CB 3.17Å; S173-A177 PolarHBondContact O-N 3.38Å
174	V	76	Confident	76.9	Confident	23 Å²	23	73.7 Å²	73.7	14%	0.139	34%	0.338	C	S	.	.	H	α-helix	trans	-55.1	-57	173.6	173.1	0	0	0	0	110.7	L170 V171 T176 A177 L178 V199 I203	L170-V174 WeakPolarHBondContact O-CG2 3.5Å; L170-V174 PolarHBondContact O-N 3.07Å; V171-V174 PolarHBondContact O-N 2.92Å; V174-T176 VanDerWaalsContact C-N 3.31Å; V174-T176 PolarHBondContact O-N 3.39Å; V174-A177 WeakPolarHBondContact O-CB 3.03Å; V174-A177 PolarHBondContact O-N 3.02Å; V174-A177 VanDerWaalsContact O-N 3.15Å; V174-L178 HydrophobicContact CG1-CD1 3.74Å; V174-L178 HydrophobicContact CG1-CG 4.24Å; V174-L178 WeakPolarHBondContact O-CG 3.46Å; V174-L178 PolarHBondContact O-N 3.23Å; V174-V199 HydrophobicContact CG1-CG1 4.08Å; V174-V199 HydrophobicContact CG2-CG1 4.21Å; V174-I203 HydrophobicContact CB-CD1 4.47Å; V174-I203 HydrophobicContact CG2-CD1 3.12Å
175	K	81.9	Confident	76.9	Confident	137 Å²	137	75.5 Å²	75.5	60%	0.596	35%	0.351	S	S	*	.	H	α-helix	trans	-60.9	-40	-177	-73.1	179.9	177.7	179.4	0	112.1	V171 R172 A177 K179	V171-K175 HydrophobicContact CG1-CD 3.88Å; V171-K175 HydrophobicContact CG1-CG 4.28Å; V171-K175 WeakPolarHBondContact O-CB 3.26Å; V171-K175 WeakPolarHBondContact O-CG 3.19Å; V171-K175 PolarHBondContact O-N 3.17Å; R172-K175 PolarHBondContact O-N 3.28Å; K175-A177 VanDerWaalsContact C-N 3.34Å; K175-K179 WeakPolarHBondContact O-CB 3.25Å; K175-K179 PolarHBondContact O-N 3.01Å
176	T	76.2	Confident	77	Confident	41 Å²	41	82.2 Å²	82.2	25%	0.252	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-40.2	178.3	-58.9	0	0	0	0	111.1	R172 S173 V174 K180	R172-T176 VanDerWaalsContact O-CB 3.22Å; R172-T176 WeakPolarHBondContact O-CB 3.42Å; R172-T176 PolarHBondContact O-N 3.07Å; R172-T176 PolarHBondContact O-OG1 3.15Å; S173-T176 PolarHBondContact O-N 3.05Å; V174-T176 VanDerWaalsContact C-N 3.31Å; V174-T176 PolarHBondContact O-N 3.39Å; T176-K180 HydrophobicContact CG2-CD 4.21Å; T176-K180 VanDerWaalsContact CG2-CE 3.47Å; T176-K180 WeakPolarHBondContact O-CB 3.07Å; T176-K180 VanDerWaalsContact O-CG 3.22Å; T176-K180 WeakPolarHBondContact O-CG 3.42Å; T176-K180 PolarHBondContact O-N 2.81Å
177	A	70.9	Confident	77.4	Confident	8 Å²	8	83.3 Å²	83.3	7%	0.066	38%	0.383	C	S	.	.	H	α-helix	trans	-65.9	-54.4	176.6	0	0	0	0	0	110.9	S173 V174 K175 K179 K180 T181 L265	S173-A177 WeakPolarHBondContact O-CB 3.17Å; S173-A177 PolarHBondContact O-N 3.38Å; V174-A177 WeakPolarHBondContact O-CB 3.03Å; V174-A177 PolarHBondContact O-N 3.02Å; V174-A177 VanDerWaalsContact O-N 3.15Å; K175-A177 VanDerWaalsContact C-N 3.34Å; A177-K179 PolarHBondContact O-N 3.16Å; A177-K180 PolarHBondContact O-N 3.47Å; A177-K180 VanDerWaalsContact O-N 3.07Å; A177-T181 WeakPolarHBondContact O-CG2 3.22Å; A177-T181 PolarHBondContact O-N 2.98Å; A177-T181 PolarHBondContact O-OG1 3.37Å; A177-T181 VanDerWaalsContact O-OG1 3.09Å; A177-L265 HydrophobicContact CB-CD1 3.67Å; A177-L265 HydrophobicContact CB-CG 3.85Å
178	L	77	Confident	77.8	Confident	31 Å²	31	81.3 Å²	81.3	16%	0.162	38%	0.381	C	S	.	.	H	α-helix	trans	-53.9	-49.1	177.2	-69.6	177.5	0	0	0	112.1	V174 K180 T181 L182 M195 L196 V199 L265	V174-L178 HydrophobicContact CG1-CD1 3.74Å; V174-L178 HydrophobicContact CG1-CG 4.24Å; V174-L178 WeakPolarHBondContact O-CG 3.46Å; V174-L178 PolarHBondContact O-N 3.23Å; L178-K180 PolarHBondContact O-N 2.9Å; L178-T181 PolarHBondContact O-N 3.07Å; L178-L182 HydrophobicContact CB-CD1 4.4Å; L178-L182 HydrophobicContact CD2-CD1 4.17Å; L178-L182 VanDerWaalsContact O-CB 3.23Å; L178-L182 WeakPolarHBondContact O-CB 3.38Å; L178-L182 PolarHBondContact O-N 3.05Å; L178-M195 HydrophobicContact CD2-CE 3.39Å; L178-M195 HydrophobicContact CD2-CG 4.4Å; L178-M195 HydrophobicContact CD2-SD 3.5Å; L178-M195 WeakPolarHBondContact CD2-SD 3.4Å; L178-L196 HydrophobicContact CD1-CD2 4.05Å; L178-V199 HydrophobicContact CD2-CG2 4.14Å; L178-L265 HydrophobicContact CD2-CD1 4.41Å
179	K	81.1	Confident	77.9	Confident	163 Å²	163	81.3 Å²	81.3	71%	0.709	40%	0.395	S	S	*	.	H	α-helix	trans	-58.6	-34.9	-179.7	-176.8	175.2	-178.7	177.2	0	112.5	K175 A177 H183	K175-K179 WeakPolarHBondContact O-CB 3.25Å; K175-K179 PolarHBondContact O-N 3.01Å; A177-K179 PolarHBondContact O-N 3.16Å; K179-H183 WeakPolarHBondContact O-CA 3.47Å; K179-H183 PolarHBondContact O-N 3.4Å
180	K	74.8	Confident	78.3	Confident	90 Å²	90	80 Å²	80	39%	0.391	40%	0.399	S	S	.	.	H	α-helix	trans	-88.4	-30.1	-176.2	-67.4	-177.3	-167.5	168.1	0	113.1	T176 A177 L178 R268 E272	T176-K180 HydrophobicContact CG2-CD 4.21Å; T176-K180 VanDerWaalsContact CG2-CE 3.47Å; T176-K180 WeakPolarHBondContact O-CB 3.07Å; T176-K180 VanDerWaalsContact O-CG 3.22Å; T176-K180 WeakPolarHBondContact O-CG 3.42Å; T176-K180 PolarHBondContact O-N 2.81Å; A177-K180 PolarHBondContact O-N 3.47Å; A177-K180 VanDerWaalsContact O-N 3.07Å; L178-K180 PolarHBondContact O-N 2.9Å; K180-R268 VanDerWaalsContact NZ-CZ 3.33Å; K180-E272 IonicContact NZ-OE1 2.77Å
181	T	71.9	Confident	78.5	Confident	16 Å²	16	80.6 Å²	80.6	10%	0.098	40%	0.401	C	S	.	.	H	α-helix	trans	-87.5	-39.7	179.2	59.9	0	0	0	0	112.3	A177 L178 Q264 L265	A177-T181 WeakPolarHBondContact O-CG2 3.22Å; A177-T181 PolarHBondContact O-N 2.98Å; A177-T181 PolarHBondContact O-OG1 3.37Å; A177-T181 VanDerWaalsContact O-OG1 3.09Å; L178-T181 PolarHBondContact O-N 3.07Å; T181-Q264 HydrophobicContact CG2-CB 4.28Å; T181-L265 HydrophobicContact CG2-CB 3.72Å; T181-L265 HydrophobicContact CG2-CD1 4.35Å; T181-L265 HydrophobicContact CG2-CG 4.41Å
182	L	75.3	Confident	78.5	Confident	41 Å²	41	81.1 Å²	81.1	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-77.1	-47.3	176.9	-65.2	175	0	0	0	111	L178 R184 S185 L187 M195 V261	L178-L182 HydrophobicContact CB-CD1 4.4Å; L178-L182 HydrophobicContact CD2-CD1 4.17Å; L178-L182 VanDerWaalsContact O-CB 3.23Å; L178-L182 WeakPolarHBondContact O-CB 3.38Å; L178-L182 PolarHBondContact O-N 3.05Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 3.47Å; L182-S185 VanDerWaalsContact CA-OG 3.25Å; L182-S185 WeakPolarHBondContact CA-OG 3.32Å; L182-S185 WeakPolarHBondContact CB-OG 3.46Å; L182-S185 WeakPolarHBondContact CD2-OG 3.36Å; L182-S185 WeakPolarHBondContact O-CB 3.49Å; L182-S185 PolarHBondContact O-N 2.69Å; L182-S185 PolarHBondContact O-OG 2.86Å; L182-L187 HydrophobicContact CD1-CD1 4.07Å; L182-L187 HydrophobicContact CD2-CD1 3.52Å; L182-L187 HydrophobicContact CD2-CD2 4.32Å; L182-L187 HydrophobicContact CD2-CG 4Å; L182-L187 HydrophobicContact CG-CD1 4.44Å; L182-M195 HydrophobicContact CD1-CE 4.09Å; L182-M195 HydrophobicContact CD1-SD 3.56Å; L182-M195 VanDerWaalsContact CD1-SD 3.56Å; L182-M195 HydrophobicContact CD2-CE 3.69Å; L182-M195 HydrophobicContact CD2-SD 3.47Å; L182-M195 WeakPolarHBondContact CD2-SD 3.12Å; L182-M195 HydrophobicContact CG-CE 3.69Å; L182-M195 HydrophobicContact CG-SD 3.69Å; L182-V261 HydrophobicContact CD2-CG1 4.22Å
183	H	73.5	Confident	78.6	Confident	144 Å²	144	80 Å²	80	67%	0.667	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	-82.8	-178.1	-164.3	58.7	0	0	0	114.8	K179	K179-H183 WeakPolarHBondContact O-CA 3.47Å; K179-H183 PolarHBondContact O-N 3.4Å
184	R	75.3	Confident	79	Confident	216 Å²	216	81.1 Å²	81.1	82%	0.815	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-1.7	178.5	-68.7	-179.6	-177	-159.5	-1.6	115.3	L182 L186	L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 3.47Å; R184-L186 PolarHBondContact O-N 3.47Å
185	S	77.9	Confident	79.1	Confident	37 Å²	37	80.2 Å²	80.2	26%	0.259	41%	0.406	S	S	.	.			trans	-67	128	179.4	64.1	0	0	0	0	110.2	L182	L182-S185 VanDerWaalsContact CA-OG 3.25Å; L182-S185 WeakPolarHBondContact CA-OG 3.32Å; L182-S185 WeakPolarHBondContact CB-OG 3.46Å; L182-S185 WeakPolarHBondContact CD2-OG 3.36Å; L182-S185 WeakPolarHBondContact O-CB 3.49Å; L182-S185 PolarHBondContact O-N 2.69Å; L182-S185 PolarHBondContact O-OG 2.86Å
186	L	80.8	Confident	79.1	Confident	161 Å²	161	77.4 Å²	77.4	84%	0.843	40%	0.397	S	S	*	.			trans	-90.4	115.7	170.4	-65.3	173.7	0	0	0	108.4	R184	R184-L186 PolarHBondContact O-N 3.47Å
187	L	81	Confident	79.4	Confident	50 Å²	50	78.3 Å²	78.3	26%	0.262	40%	0.404	S	S	.	.			trans	-100.4	140.5	174.8	-60.5	-175.3	0	0	0	109.5	L182 E191 T192 M195	L182-L187 HydrophobicContact CD1-CD1 4.07Å; L182-L187 HydrophobicContact CD2-CD1 3.52Å; L182-L187 HydrophobicContact CD2-CD2 4.32Å; L182-L187 HydrophobicContact CD2-CG 4Å; L182-L187 HydrophobicContact CG-CD1 4.44Å; L187-E191 WeakPolarHBondContact CA-OE2 3.18Å; L187-E191 HydrophobicContact CB-CB 3.96Å; L187-E191 HydrophobicContact CD2-CB 4.07Å; L187-E191 HydrophobicContact CG-CB 4.41Å; L187-T192 WeakPolarHBondContact CB-OG1 3.23Å; L187-M195 HydrophobicContact CD1-CB 4.4Å; L187-M195 HydrophobicContact CD1-SD 3.93Å
188	N	85.4	Confident	79.8	Confident	75 Å²	75	80.5 Å²	80.5	40%	0.401	41%	0.413	S	S	.	.			trans	-76.4	178.8	165.8	67.4	24.5	0	0	0	110.6	D190 E191 T192	N188-D190 PolarHBondContact O-N 2.82Å; N188-D190 PolarHBondContact OD1-N 3.21Å; N188-E191 VanDerWaalsContact CG-CD 3.49Å; N188-E191 PolarHBondContact N-OE2 3.02Å; N188-E191 PolarHBondContact O-N 3.41Å; N188-E191 VanDerWaalsContact OD1-CB 3.22Å; N188-E191 WeakPolarHBondContact OD1-CB 3.42Å; N188-E191 VanDerWaalsContact OD1-CD 3.27Å; N188-E191 WeakPolarHBondContact OD1-CG 3.39Å; N188-E191 PolarHBondContact OD1-N 2.76Å; N188-E191 PolarHBondContact OD1-OE2 3.25Å; N188-T192 WeakPolarHBondContact O-CB 3.3Å; N188-T192 PolarHBondContact O-N 2.77Å; N188-T192 PolarHBondContact O-OG1 3.04Å
189	A	85.8	Confident	79.9	Confident	79 Å²	79	79.3 Å²	79.3	65%	0.653	41%	0.407	S	S	*	.	H	α-helix	trans	-60.2	-46	-177.4	0	0	0	0	0	112.2	T192 M193	A189-T192 PolarHBondContact O-N 3.23Å; A189-M193 WeakPolarHBondContact O-CB 3.33Å; A189-M193 PolarHBondContact O-N 3.4Å
190	D	84.6	Confident	79.8	Confident	122 Å²	122	73.4 Å²	73.4	65%	0.652	38%	0.382	S	S	*	.	H	α-helix	trans	-67.4	-39.3	-177.4	-59.7	-41.7	0	0	0	112	N188 M193 T194	N188-D190 PolarHBondContact O-N 2.82Å; N188-D190 PolarHBondContact OD1-N 3.21Å; D190-M193 PolarHBondContact O-N 2.82Å; D190-T194 WeakPolarHBondContact O-CB 3.41Å; D190-T194 PolarHBondContact O-N 3.43Å; D190-T194 PolarHBondContact O-OG1 3.14Å
191	E	81.3	Confident	80.2	Confident	33 Å²	33	70.7 Å²	70.7	15%	0.154	38%	0.375	C	S	.	.	H	α-helix	trans	-67.4	-40.3	175.7	-74.1	163.6	174.8	0	0	112.2	L187 N188 M193 T194 M195 R254	L187-E191 WeakPolarHBondContact CA-OE2 3.18Å; L187-E191 HydrophobicContact CB-CB 3.96Å; L187-E191 HydrophobicContact CD2-CB 4.07Å; L187-E191 HydrophobicContact CG-CB 4.41Å; N188-E191 VanDerWaalsContact CG-CD 3.49Å; N188-E191 PolarHBondContact N-OE2 3.02Å; N188-E191 PolarHBondContact O-N 3.41Å; N188-E191 VanDerWaalsContact OD1-CB 3.22Å; N188-E191 WeakPolarHBondContact OD1-CB 3.42Å; N188-E191 VanDerWaalsContact OD1-CD 3.27Å; N188-E191 WeakPolarHBondContact OD1-CG 3.39Å; N188-E191 PolarHBondContact OD1-N 2.76Å; N188-E191 PolarHBondContact OD1-OE2 3.25Å; E191-M193 VanDerWaalsContact C-N 3.34Å; E191-T194 PolarHBondContact O-N 2.78Å; E191-M195 VanDerWaalsContact O-CB 3.28Å; E191-M195 WeakPolarHBondContact O-CB 3.08Å; E191-M195 PolarHBondContact O-N 3.27Å; E191-R254 IonicContact OE1-CZ 2.63Å; E191-R254 IonicContact OE1-NE 3.7Å; E191-R254 PolarHBondContact OE1-NE 3.22Å; E191-R254 IonicContact OE1-NH2 3.53Å; E191-R254 PolarHBondContact OE1-NH2 3.09Å; E191-R254 IonicContact OE2-CZ 3.06Å; E191-R254 IonicContact OE2-NE 2.58Å; E191-R254 IonicContact OE2-NH2 2.84Å; E191-R254 PolarHBondContact OE2-NH2 3.45Å
192	T	82.5	Confident	80.3	Confident	58 Å²	58	71.2 Å²	71.2	36%	0.356	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-45.9	176	-56.7	0	0	0	0	109.8	L187 N188 A189 M195 L196	L187-T192 WeakPolarHBondContact CB-OG1 3.23Å; N188-T192 WeakPolarHBondContact O-CB 3.3Å; N188-T192 PolarHBondContact O-N 2.77Å; N188-T192 PolarHBondContact O-OG1 3.04Å; A189-T192 PolarHBondContact O-N 3.23Å; T192-M195 PolarHBondContact O-N 3.39Å; T192-L196 HydrophobicContact CG2-CD1 4.17Å; T192-L196 WeakPolarHBondContact O-CB 3.43Å; T192-L196 VanDerWaalsContact O-CG 3.29Å; T192-L196 WeakPolarHBondContact O-CG 2.84Å; T192-L196 PolarHBondContact O-N 2.83Å
193	M	84.1	Confident	80.5	Confident	116 Å²	116	69.6 Å²	69.6	57%	0.571	37%	0.368	S	S	*	.	H	α-helix	trans	-59.6	-51.4	176.2	-176.7	63.6	100.9	0	0	110.9	A189 D190 E191 M195 L196 C197	A189-M193 WeakPolarHBondContact O-CB 3.33Å; A189-M193 PolarHBondContact O-N 3.4Å; D190-M193 PolarHBondContact O-N 2.82Å; E191-M193 VanDerWaalsContact C-N 3.34Å; M193-M195 VanDerWaalsContact C-N 3.29Å; M193-M195 PolarHBondContact O-N 3.33Å; M193-L196 PolarHBondContact O-N 3.39Å; M193-L196 VanDerWaalsContact O-N 3.1Å; M193-C197 PolarHBondContact O-N 3.24Å; M193-C197 PolarHBondContact O-SG 3.39Å; M193-C197 VanDerWaalsContact O-SG 3.34Å
194	T	81.7	Confident	80.9	Confident	62 Å²	62	63.2 Å²	63.2	38%	0.38	34%	0.338	S	S	.	.	H	α-helix	trans	-58.3	-44.4	-179.9	-51.8	0	0	0	0	110.7	D190 E191 L196 C197 E198 Y258	D190-T194 WeakPolarHBondContact O-CB 3.41Å; D190-T194 PolarHBondContact O-N 3.43Å; D190-T194 PolarHBondContact O-OG1 3.14Å; E191-T194 PolarHBondContact O-N 2.78Å; T194-L196 PolarHBondContact O-N 3.28Å; T194-C197 PolarHBondContact O-N 2.83Å; T194-E198 WeakPolarHBondContact O-CB 3.24Å; T194-E198 WeakPolarHBondContact O-CG 3.41Å; T194-E198 PolarHBondContact O-N 3.16Å; T194-Y258 HydrophobicContact CG2-CE1 4.33Å; T194-Y258 WeakPolarHBondContact CG2-OH 3.48Å; T194-Y258 PolarHBondContact O-OH 3.39Å; T194-Y258 VanDerWaalsContact O-OH 3.09Å
195	M	77.8	Confident	81.1	Confident	4 Å²	4	54 Å²	54	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-42.7	176.2	-161.3	-163.3	-176.8	0	0	113	L178 L182 L187 E191 T192 M193 E198 V199 Y258 V261 L262 L265	L178-M195 HydrophobicContact CD2-CE 3.39Å; L178-M195 HydrophobicContact CD2-CG 4.4Å; L178-M195 HydrophobicContact CD2-SD 3.5Å; L178-M195 WeakPolarHBondContact CD2-SD 3.4Å; L182-M195 HydrophobicContact CD1-CE 4.09Å; L182-M195 HydrophobicContact CD1-SD 3.56Å; L182-M195 VanDerWaalsContact CD1-SD 3.56Å; L182-M195 HydrophobicContact CD2-CE 3.69Å; L182-M195 HydrophobicContact CD2-SD 3.47Å; L182-M195 WeakPolarHBondContact CD2-SD 3.12Å; L182-M195 HydrophobicContact CG-CE 3.69Å; L182-M195 HydrophobicContact CG-SD 3.69Å; L187-M195 HydrophobicContact CD1-CB 4.4Å; L187-M195 HydrophobicContact CD1-SD 3.93Å; E191-M195 VanDerWaalsContact O-CB 3.28Å; E191-M195 WeakPolarHBondContact O-CB 3.08Å; E191-M195 PolarHBondContact O-N 3.27Å; T192-M195 PolarHBondContact O-N 3.39Å; M193-M195 VanDerWaalsContact C-N 3.29Å; M193-M195 PolarHBondContact O-N 3.33Å; M195-E198 PolarHBondContact O-N 3.27Å; M195-V199 VanDerWaalsContact O-CG2 3.29Å; M195-V199 WeakPolarHBondContact O-CG2 3.35Å; M195-V199 PolarHBondContact O-N 3.44Å; M195-Y258 VanDerWaalsContact CA-OH 3.25Å; M195-Y258 WeakPolarHBondContact CA-OH 3.35Å; M195-Y258 HydrophobicContact CB-CE2 3.97Å; M195-Y258 HydrophobicContact CG-CE2 4.22Å; M195-Y258 PolarHBondContact N-OH 3.45Å; M195-V261 HydrophobicContact CE-CG1 3.81Å; M195-L262 HydrophobicContact CG-CD2 4.42Å; M195-L265 HydrophobicContact CE-CD1 4.16Å
196	L	82.1	Confident	81.1	Confident	79 Å²	79	52.5 Å²	52.5	41%	0.414	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-43.6	177.5	-72.1	172.9	0	0	0	111.2	L178 T192 M193 T194 E198 V199 E200	L178-L196 HydrophobicContact CD1-CD2 4.05Å; T192-L196 HydrophobicContact CG2-CD1 4.17Å; T192-L196 WeakPolarHBondContact O-CB 3.43Å; T192-L196 VanDerWaalsContact O-CG 3.29Å; T192-L196 WeakPolarHBondContact O-CG 2.84Å; T192-L196 PolarHBondContact O-N 2.83Å; M193-L196 PolarHBondContact O-N 3.39Å; M193-L196 VanDerWaalsContact O-N 3.1Å; T194-L196 PolarHBondContact O-N 3.28Å; L196-E198 VanDerWaalsContact C-N 3.3Å; L196-E198 PolarHBondContact O-N 3.48Å; L196-V199 PolarHBondContact O-N 2.89Å; L196-E200 VanDerWaalsContact O-CB 3.24Å; L196-E200 WeakPolarHBondContact O-CB 3.44Å; L196-E200 PolarHBondContact O-N 3.29Å
197	C	83.8	Confident	80.9	Confident	60 Å²	60	50.2 Å²	50.2	41%	0.405	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-39.5	174.9	-67.9	0	0	0	0	112	M193 T194 E200 S201	M193-C197 PolarHBondContact O-N 3.24Å; M193-C197 PolarHBondContact O-SG 3.39Å; M193-C197 VanDerWaalsContact O-SG 3.34Å; T194-C197 PolarHBondContact O-N 2.83Å; C197-E200 PolarHBondContact O-N 2.74Å; C197-S201 VanDerWaalsContact O-CB 3.32Å; C197-S201 WeakPolarHBondContact O-CB 3.47Å; C197-S201 PolarHBondContact O-N 3.45Å
198	E	78.6	Confident	80.7	Confident	53 Å²	53	49.9 Å²	49.9	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-45.5	176.5	-79.2	-75.1	175.8	0	0	111.8	T194 M195 L196 E200 S201 Q202 Y258 L262	T194-E198 WeakPolarHBondContact O-CB 3.24Å; T194-E198 WeakPolarHBondContact O-CG 3.41Å; T194-E198 PolarHBondContact O-N 3.16Å; M195-E198 PolarHBondContact O-N 3.27Å; L196-E198 VanDerWaalsContact C-N 3.3Å; L196-E198 PolarHBondContact O-N 3.48Å; E198-E200 VanDerWaalsContact C-N 3.32Å; E198-E200 PolarHBondContact O-N 3.17Å; E198-S201 PolarHBondContact O-N 2.85Å; E198-S201 PolarHBondContact O-OG 2.86Å; E198-Q202 WeakPolarHBondContact O-CB 3.12Å; E198-Q202 WeakPolarHBondContact O-CG 3.3Å; E198-Q202 PolarHBondContact O-N 3.19Å; E198-Y258 VanDerWaalsContact CG-OH 3.23Å; E198-Y258 WeakPolarHBondContact CG-OH 3.36Å; E198-L262 HydrophobicContact CB-CD1 4.03Å; E198-L262 HydrophobicContact CB-CD2 3.69Å; E198-L262 HydrophobicContact CG-CD1 3.85Å; E198-L262 HydrophobicContact CG-CD2 4.41Å
199	V	78	Confident	79.9	Confident	6 Å²	6	48.5 Å²	48.5	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-42.7	174.9	171.2	0	0	0	0	111.2	V174 L178 M195 L196 Q202 I203 L265	V174-V199 HydrophobicContact CG1-CG1 4.08Å; V174-V199 HydrophobicContact CG2-CG1 4.21Å; L178-V199 HydrophobicContact CD2-CG2 4.14Å; M195-V199 VanDerWaalsContact O-CG2 3.29Å; M195-V199 WeakPolarHBondContact O-CG2 3.35Å; M195-V199 PolarHBondContact O-N 3.44Å; L196-V199 PolarHBondContact O-N 2.89Å; V199-Q202 PolarHBondContact O-N 2.94Å; V199-I203 HydrophobicContact CG1-CD1 3.78Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 WeakPolarHBondContact O-CB 3.29Å; V199-I203 VanDerWaalsContact O-CG1 3.26Å; V199-I203 WeakPolarHBondContact O-CG1 3.48Å; V199-I203 PolarHBondContact O-N 3.29Å; V199-L265 HydrophobicContact CG2-CD1 3.63Å; V199-L265 HydrophobicContact CG2-CD2 3.96Å; V199-L265 HydrophobicContact CG2-CG 4.46Å
200	E	80.7	Confident	78.8	Confident	39 Å²	39	50.8 Å²	50.8	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-50.6	174.5	-174.7	-155.2	146.3	0	0	110.8	L196 C197 E198 Q202 I203 N204 F293	L196-E200 VanDerWaalsContact O-CB 3.24Å; L196-E200 WeakPolarHBondContact O-CB 3.44Å; L196-E200 PolarHBondContact O-N 3.29Å; C197-E200 PolarHBondContact O-N 2.74Å; E198-E200 VanDerWaalsContact C-N 3.32Å; E198-E200 PolarHBondContact O-N 3.17Å; E200-Q202 VanDerWaalsContact C-N 3.25Å; E200-Q202 PolarHBondContact O-N 2.84Å; E200-I203 PolarHBondContact O-N 2.73Å; E200-N204 WeakPolarHBondContact O-CB 3.48Å; E200-N204 PolarHBondContact O-N 2.89Å; E200-N204 PolarHBondContact O-ND2 2.89Å; E200-F293 HydrophobicContact CG-CB 3.75Å; E200-F293 HydrophobicContact CG-CD1 3.82Å; E200-F293 HydrophobicContact CG-CD2 3.92Å; E200-F293 HydrophobicContact CG-CE1 4.36Å; E200-F293 HydrophobicContact CG-CE2 4.44Å; E200-F293 HydrophobicContact CG-CG 3.57Å; E200-F293 WeakPolarHBondContact OE1-CB 3.26Å
201	S	81.2	Confident	77.6	Confident	34 Å²	34	52.5 Å²	52.5	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-41.6	-179.6	83	0	0	0	0	111.2	C197 E198 N204 A205 F223	C197-S201 VanDerWaalsContact O-CB 3.32Å; C197-S201 WeakPolarHBondContact O-CB 3.47Å; C197-S201 PolarHBondContact O-N 3.45Å; E198-S201 PolarHBondContact O-N 2.85Å; E198-S201 PolarHBondContact O-OG 2.86Å; S201-N204 CarbonylContact O-C 3.56Å; S201-N204 PolarHBondContact O-N 3.45Å; S201-A205 VanDerWaalsContact O-CB 3.29Å; S201-A205 WeakPolarHBondContact O-CB 3.49Å; S201-A205 PolarHBondContact O-N 3.15Å; S201-F223 WeakPolarHBondContact O-CE2 3.49Å; S201-F223 WeakPolarHBondContact O-CZ 3.38Å
202	Q	76	Confident	76.4	Confident	27 Å²	27	57.4 Å²	57.4	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-68.7	-42	179.6	-71.9	172.4	28.4	0	0	111.8	E198 V199 E200 N204 A205 R206 W266	E198-Q202 WeakPolarHBondContact O-CB 3.12Å; E198-Q202 WeakPolarHBondContact O-CG 3.3Å; E198-Q202 PolarHBondContact O-N 3.19Å; V199-Q202 PolarHBondContact O-N 2.94Å; E200-Q202 VanDerWaalsContact C-N 3.25Å; E200-Q202 PolarHBondContact O-N 2.84Å; Q202-N204 VanDerWaalsContact C-N 3.28Å; Q202-N204 PolarHBondContact O-N 3.3Å; Q202-A205 PolarHBondContact O-N 3.34Å; Q202-R206 PolarHBondContact O-N 3.36Å; Q202-W266 HydrophobicContact CB-CE3 4.12Å; Q202-W266 HydrophobicContact CB-CZ3 3.98Å; Q202-W266 HydrophobicContact CG-CE3 4.25Å; Q202-W266 HydrophobicContact CG-CZ3 4.45Å
203	I	78.6	Confident	75.1	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-39.9	175.3	-75.5	173.9	0	0	0	110.3	V174 V199 E200 A205 R206 F293	V174-I203 HydrophobicContact CB-CD1 4.47Å; V174-I203 HydrophobicContact CG2-CD1 3.12Å; V199-I203 HydrophobicContact CG1-CD1 3.78Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 WeakPolarHBondContact O-CB 3.29Å; V199-I203 VanDerWaalsContact O-CG1 3.26Å; V199-I203 WeakPolarHBondContact O-CG1 3.48Å; V199-I203 PolarHBondContact O-N 3.29Å; E200-I203 PolarHBondContact O-N 2.73Å; I203-A205 VanDerWaalsContact C-N 3.34Å; I203-R206 WeakPolarHBondContact O-CB 3.42Å; I203-R206 VanDerWaalsContact O-CD 3.25Å; I203-R206 WeakPolarHBondContact O-CD 3.26Å; I203-R206 WeakPolarHBondContact O-CG 3.48Å; I203-R206 PolarHBondContact O-N 2.98Å; I203-R206 PolarHBondContact O-NH1 3.3Å; I203-F293 HydrophobicContact CG2-CE2 4.42Å
204	N	82.4	Confident	73.6	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.053	32%	0.322	C	S	.	.	H	α-helix	trans	-78.4	-17.9	178.4	-70.3	-26.5	0	0	0	113.5	E200 S201 Q202 R206 P222 F223 L226	E200-N204 WeakPolarHBondContact O-CB 3.48Å; E200-N204 PolarHBondContact O-N 2.89Å; E200-N204 PolarHBondContact O-ND2 2.89Å; S201-N204 CarbonylContact O-C 3.56Å; S201-N204 PolarHBondContact O-N 3.45Å; Q202-N204 VanDerWaalsContact C-N 3.28Å; Q202-N204 PolarHBondContact O-N 3.3Å; N204-R206 VanDerWaalsContact C-N 3.34Å; N204-P222 HydrophobicContact CB-CB 4.25Å; N204-P222 WeakPolarHBondContact O-CB 3.45Å; N204-P222 WeakPolarHBondContact O-CD 3.47Å; N204-F223 VanDerWaalsContact C-CD2 3.42Å; N204-F223 HydrophobicContact CB-CD1 3.93Å; N204-F223 HydrophobicContact CB-CD2 4.13Å; N204-F223 HydrophobicContact CB-CE1 3.7Å; N204-F223 HydrophobicContact CB-CE2 3.97Å; N204-F223 HydrophobicContact CB-CG 4.14Å; N204-F223 HydrophobicContact CB-CZ 3.75Å; N204-F223 VanDerWaalsContact O-CD2 3.3Å; N204-F223 WeakPolarHBondContact O-CD2 3.32Å; N204-F223 PolarHBondContact O-N 3.45Å; N204-L226 HydrophobicContact CB-CD1 4.15Å
205	A	79.3	Confident	72.5	Confident	22 Å²	22	67.5 Å²	67.5	18%	0.182	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.3	170.8	0	0	0	0	0	113.8	S201 Q202 I203 T221 F223 P231	S201-A205 VanDerWaalsContact O-CB 3.29Å; S201-A205 WeakPolarHBondContact O-CB 3.49Å; S201-A205 PolarHBondContact O-N 3.15Å; Q202-A205 PolarHBondContact O-N 3.34Å; I203-A205 VanDerWaalsContact C-N 3.34Å; A205-T221 VanDerWaalsContact O-CG2 3.26Å; A205-T221 WeakPolarHBondContact O-CG2 3.18Å; A205-F223 HydrophobicContact CB-CD2 4.04Å; A205-F223 HydrophobicContact CB-CE2 3.87Å; A205-P231 HydrophobicContact CB-CB 3.92Å; A205-P231 HydrophobicContact CB-CG 4.19Å
206	R	77.6	Confident	71.5	Confident	6 Å²	6	70.5 Å²	70.5	2%	0.023	37%	0.365	C	S	.	.	S	Bend	trans	-61.9	144	-177.7	77.8	-172.1	-178.7	-91.8	1	112.5	Q202 I203 N204 L208 T221 P222 W269 Y273	Q202-R206 PolarHBondContact O-N 3.36Å; I203-R206 WeakPolarHBondContact O-CB 3.42Å; I203-R206 VanDerWaalsContact O-CD 3.25Å; I203-R206 WeakPolarHBondContact O-CD 3.26Å; I203-R206 WeakPolarHBondContact O-CG 3.48Å; I203-R206 PolarHBondContact O-N 2.98Å; I203-R206 PolarHBondContact O-NH1 3.3Å; N204-R206 VanDerWaalsContact C-N 3.34Å; R206-L208 HydrophobicContact CG-CD2 4.28Å; R206-T221 VanDerWaalsContact O-CA 3.26Å; R206-T221 WeakPolarHBondContact O-CA 3.22Å; R206-T221 VanDerWaalsContact O-CB 3.27Å; R206-T221 WeakPolarHBondContact O-CB 3.46Å; R206-T221 WeakPolarHBondContact O-CG2 3.4Å; R206-P222 HydrophobicContact CG-CG 4.07Å; R206-P222 WeakPolarHBondContact O-CD 3.46Å; R206-W269 HydrophobicContact CB-CH2 3.33Å; R206-W269 HydrophobicContact CB-CZ2 3.43Å; R206-W269 VanDerWaalsContact CB-CZ2 3.43Å; R206-W269 HydrophobicContact CG-CZ2 4.33Å; R206-Y273 PolarHBondContact NE-OH 3.5Å
207	H	77	Confident	70.5	Confident	112 Å²	112	77.5 Å²	77.5	52%	0.519	39%	0.386	S	S	.	.			trans	-74.4	132.2	172.7	-54.1	170.3	0	0	0	109.7	P219 I220	H207-P219 HydrophobicContact CB-CB 4Å; H207-P219 HydrophobicContact CB-CG 4.35Å; H207-P219 WeakPolarHBondContact CD2-CG 3.38Å; H207-P219 WeakPolarHBondContact CE1-CG 3.38Å; H207-P219 VanDerWaalsContact CG-CG 3.43Å; H207-P219 VanDerWaalsContact ND1-CG 3.32Å; H207-P219 WeakPolarHBondContact ND1-CG 3.48Å; H207-P219 WeakPolarHBondContact NE2-CG 3.49Å; H207-I220 WeakPolarHBondContact CA-O 3.36Å
208	L	75.6	Confident	69.7	Low	44 Å²	44	79.2 Å²	79.2	23%	0.23	39%	0.391	C	S	.	.	S	Bend	trans	-92.8	-20.2	173.3	-57.3	175.4	0	0	0	112	R206 I220 P222 F225	R206-L208 HydrophobicContact CG-CD2 4.28Å; L208-I220 HydrophobicContact CB-CG2 4.01Å; L208-I220 PolarHBondContact N-O 3.36Å; L208-P222 HydrophobicContact CD1-CG 4.29Å; L208-P222 HydrophobicContact CD2-CG 4.08Å; L208-P222 HydrophobicContact CG-CG 4.33Å; L208-F225 HydrophobicContact CD1-CE2 4.04Å
209	T	69.3	Low	69.5	Low	46 Å²	46	78 Å²	78	28%	0.282	39%	0.388	S	S	.	.			trans	-114.1	137	178.4	54.6	0	0	0	0	110.7	I220	T209-I220 HydrophobicContact CG2-CG2 3.47Å; T209-I220 VanDerWaalsContact CG2-CG2 3.47Å
210	F	62.3	Low	69.6	Low	126 Å²	126	80.2 Å²	80.2	55%	0.553	40%	0.399	S	S	*	.	S	Bend	trans	-71.2	-42	176.1	-61.3	-82	0	0	0	112.3	A277 E278	F210-A277 VanDerWaalsContact CE1-C 3.44Å; F210-A277 HydrophobicContact CE1-CB 3.54Å; F210-A277 HydrophobicContact CZ-CB 3.5Å; F210-A277 VanDerWaalsContact CZ-CB 3.5Å; F210-A277 WeakPolarHBondContact CZ-O 3.39Å; F210-E278 HydrophobicContact CE1-CG 4.3Å
211	E	59.4	Low	69.6	Low	159 Å²	159	78.5 Å²	78.5	74%	0.743	39%	0.391	S	S	*	.	S	Bend	trans	-103.2	143.7	-172.7	-162.7	169.4	-166.6	0	0	110.5	I213	E211-I213 PolarHBondContact O-N 3.3Å; E211-I213 VanDerWaalsContact O-N 3.11Å
212	K	55.5	Low	69.8	Low	136 Å²	136	77.2 Å²	77.2	59%	0.591	38%	0.382	S	S	*	.			trans	-64.6	111.1	163.6	-68.6	-178.8	179.5	179.6	0	106.5	R214	K212-R214 PolarHBondContact O-N 3.09Å
213	I	56.3	Low	70.2	Confident	105 Å²	105	76.4 Å²	76.4	54%	0.538	38%	0.378	S	S	.	.			trans	-50.2	129.5	166.7	-62.1	169	0	0	0	106.2	E211 G215 T216	E211-I213 PolarHBondContact O-N 3.3Å; E211-I213 VanDerWaalsContact O-N 3.11Å; I213-G215 PolarHBondContact O-N 2.88Å; I213-T216 PolarHBondContact O-N 3.42Å; I213-T216 PolarHBondContact O-OG1 2.89Å; I213-T216 VanDerWaalsContact O-OG1 3.04Å
214	R	52.4	Low	70.4	Confident	256 Å²	256	78.4 Å²	78.4	97%	0.966	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.8	112	-175.8	-74.7	-174.2	175.4	-145.6	0.4	110.3	K212	K212-R214 PolarHBondContact O-N 3.09Å
215	G	59.3	Low	70.5	Confident	86 Å²	86	83.1 Å²	83.1	89%	0.887	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.5	-15.9	178.2	0	0	0	0	0	116.9	I213	I213-G215 PolarHBondContact O-N 2.88Å
216	T	57.1	Low	70.8	Confident	68 Å²	68	83.7 Å²	83.7	42%	0.417	41%	0.407	S	S	.	.			trans	-86.9	123.7	176	56.4	0	0	0	0	111.6	I213 N218	I213-T216 PolarHBondContact O-N 3.42Å; I213-T216 PolarHBondContact O-OG1 2.89Å; I213-T216 VanDerWaalsContact O-OG1 3.04Å; T216-N218 VanDerWaalsContact C-N 3.31Å
217	R	60.9	Low	71	Confident	226 Å²	226	89.6 Å²	89.6	85%	0.853	43%	0.43	S	S	*	.	S	Bend	trans	-67.3	-32.8	176.7	-91.1	-177.1	176.1	177.7	-1	112.4
218	N	67.2	Low	71.2	Confident	96 Å²	96	87.5 Å²	87.5	51%	0.513	44%	0.438	S	S	.	.	S	Bend	trans	-117	132.6	-171.4	-64.2	-3.5	0	0	0	111.3	T216	T216-N218 VanDerWaalsContact C-N 3.31Å
219	P	72.9	Confident	71.5	Confident	28 Å²	28	91.1 Å²	91.1	18%	0.182	45%	0.448	C	S	.	.			trans	-65.3	147	175.7	25.5	-31	0	0	0	111.1	H207 T221 H224	H207-P219 HydrophobicContact CB-CB 4Å; H207-P219 HydrophobicContact CB-CG 4.35Å; H207-P219 WeakPolarHBondContact CD2-CG 3.38Å; H207-P219 WeakPolarHBondContact CE1-CG 3.38Å; H207-P219 VanDerWaalsContact CG-CG 3.43Å; H207-P219 VanDerWaalsContact ND1-CG 3.32Å; H207-P219 WeakPolarHBondContact ND1-CG 3.48Å; H207-P219 WeakPolarHBondContact NE2-CG 3.49Å; P219-T221 PolarHBondContact O-N 3.33Å; P219-H224 PolarHBondContact O-CE1 2.66Å; P219-H224 VanDerWaalsContact O-CE1 3.3Å
220	I	80.7	Confident	71.6	Confident	52 Å²	52	91.7 Å²	91.7	27%	0.267	45%	0.453	S	S	.	.			trans	-71.9	132.3	-177.9	-159.6	173.7	0	0	0	110.4	H207 L208 T209 H224 F225	H207-I220 WeakPolarHBondContact CA-O 3.36Å; L208-I220 HydrophobicContact CB-CG2 4.01Å; L208-I220 PolarHBondContact N-O 3.36Å; T209-I220 HydrophobicContact CG2-CG2 3.47Å; T209-I220 VanDerWaalsContact CG2-CG2 3.47Å; I220-H224 WeakPolarHBondContact CA-ND1 3.5Å; I220-H224 HydrophobicContact CG1-CB 4.31Å; I220-F225 HydrophobicContact CD1-CE1 4.42Å; I220-F225 HydrophobicContact CD1-CE2 3.58Å; I220-F225 HydrophobicContact CD1-CZ 3.4Å; I220-F225 HydrophobicContact CG1-CE2 3.84Å; I220-F225 HydrophobicContact CG1-CZ 4.19Å
221	T	81.5	Confident	72	Confident	2 Å²	2	87.5 Å²	87.5	1%	0.012	44%	0.439	C	S	.	.			trans	-124.6	161.3	180	68.5	0	0	0	0	110.1	A205 R206 P219 F223 H224 P231	A205-T221 VanDerWaalsContact O-CG2 3.26Å; A205-T221 WeakPolarHBondContact O-CG2 3.18Å; R206-T221 VanDerWaalsContact O-CA 3.26Å; R206-T221 WeakPolarHBondContact O-CA 3.22Å; R206-T221 VanDerWaalsContact O-CB 3.27Å; R206-T221 WeakPolarHBondContact O-CB 3.46Å; R206-T221 WeakPolarHBondContact O-CG2 3.4Å; P219-T221 PolarHBondContact O-N 3.33Å; T221-F223 PolarHBondContact O-N 2.88Å; T221-F223 PolarHBondContact OG1-N 2.83Å; T221-H224 PolarHBondContact N-ND1 3.19Å; T221-H224 VanDerWaalsContact N-ND1 3.15Å; T221-H224 WeakPolarHBondContact O-CB 3.35Å; T221-H224 PolarHBondContact O-N 2.71Å; T221-P231 HydrophobicContact CG2-CG 4.42Å
222	P	84.4	Confident	72.3	Confident	8 Å²	8	85.7 Å²	85.7	5%	0.052	43%	0.43	C	S	.	.	H	α-helix	trans	-51.9	-32.8	170	-26.6	32.6	0	0	0	113.7	N204 R206 L208 H224 F225 L226	N204-P222 HydrophobicContact CB-CB 4.25Å; N204-P222 WeakPolarHBondContact O-CB 3.45Å; N204-P222 WeakPolarHBondContact O-CD 3.47Å; R206-P222 HydrophobicContact CG-CG 4.07Å; R206-P222 WeakPolarHBondContact O-CD 3.46Å; L208-P222 HydrophobicContact CD1-CG 4.29Å; L208-P222 HydrophobicContact CD2-CG 4.08Å; L208-P222 HydrophobicContact CG-CG 4.33Å; P222-H224 VanDerWaalsContact C-N 3.27Å; P222-H224 PolarHBondContact O-N 3.35Å; P222-F225 PolarHBondContact O-N 3.31Å; P222-L226 HydrophobicContact CB-CD1 4.25Å; P222-L226 WeakPolarHBondContact O-CG 3.21Å; P222-L226 PolarHBondContact O-N 3.38Å
223	F	84.4	Confident	72.5	Confident	9 Å²	9	85.4 Å²	85.4	4%	0.039	44%	0.439	C	S	.	.	H	α-helix	trans	-59.6	-32.2	176.3	-81.6	-49.7	0	0	0	114.6	S201 N204 A205 T221 F225 L226 R227 G228 R229 P231	S201-F223 WeakPolarHBondContact O-CE2 3.49Å; S201-F223 WeakPolarHBondContact O-CZ 3.38Å; N204-F223 VanDerWaalsContact C-CD2 3.42Å; N204-F223 HydrophobicContact CB-CD1 3.93Å; N204-F223 HydrophobicContact CB-CD2 4.13Å; N204-F223 HydrophobicContact CB-CE1 3.7Å; N204-F223 HydrophobicContact CB-CE2 3.97Å; N204-F223 HydrophobicContact CB-CG 4.14Å; N204-F223 HydrophobicContact CB-CZ 3.75Å; N204-F223 VanDerWaalsContact O-CD2 3.3Å; N204-F223 WeakPolarHBondContact O-CD2 3.32Å; N204-F223 PolarHBondContact O-N 3.45Å; A205-F223 HydrophobicContact CB-CD2 4.04Å; A205-F223 HydrophobicContact CB-CE2 3.87Å; T221-F223 PolarHBondContact O-N 2.88Å; T221-F223 PolarHBondContact OG1-N 2.83Å; F223-F225 PolarHBondContact O-N 3.22Å; F223-L226 PolarHBondContact O-N 3.17Å; F223-R227 HydrophobicContact CD1-CG 3.97Å; F223-R227 VanDerWaalsContact CE1-NE 3.33Å; F223-R227 WeakPolarHBondContact O-CA 3.29Å; F223-R227 PolarHBondContact O-N 2.95Å; F223-G228 PolarHBondContact O-N 3.31Å; F223-R229 CarbonylContact C-O 3.5Å; F223-R229 VanDerWaalsContact C-O 3.28Å; F223-P231 HydrophobicContact CD2-CB 3.72Å; F223-P231 HydrophobicContact CD2-CG 4.39Å; F223-P231 HydrophobicContact CE2-CB 4.09Å
224	H	83.8	Confident	72.3	Confident	50 Å²	50	86.6 Å²	86.6	23%	0.231	45%	0.447	C	S	.	.	H	α-helix	trans	-60.6	-30.8	175.1	-67.1	143.3	0	0	0	112.3	P219 I220 T221 P222 G228 P230	P219-H224 PolarHBondContact O-CE1 2.66Å; P219-H224 VanDerWaalsContact O-CE1 3.3Å; I220-H224 WeakPolarHBondContact CA-ND1 3.5Å; I220-H224 HydrophobicContact CG1-CB 4.31Å; T221-H224 PolarHBondContact N-ND1 3.19Å; T221-H224 VanDerWaalsContact N-ND1 3.15Å; T221-H224 WeakPolarHBondContact O-CB 3.35Å; T221-H224 PolarHBondContact O-N 2.71Å; P222-H224 VanDerWaalsContact C-N 3.27Å; P222-H224 PolarHBondContact O-N 3.35Å; H224-G228 WeakPolarHBondContact O-CA 3.24Å; H224-G228 PolarHBondContact O-N 3.22Å; H224-P230 VanDerWaalsContact NE2-CA 3.35Å; H224-P230 WeakPolarHBondContact NE2-CA 3.5Å; H224-P230 WeakPolarHBondContact NE2-CB 3.44Å
225	F	84.6	Confident	71.7	Confident	109 Å²	109	80.3 Å²	80.3	48%	0.478	44%	0.437	S	S	.	.	H	α-helix	trans	-90.8	-38.2	178.2	-60	-82.6	0	0	0	112.5	L208 I220 P222 F223 L290	L208-F225 HydrophobicContact CD1-CE2 4.04Å; I220-F225 HydrophobicContact CD1-CE1 4.42Å; I220-F225 HydrophobicContact CD1-CE2 3.58Å; I220-F225 HydrophobicContact CD1-CZ 3.4Å; I220-F225 HydrophobicContact CG1-CE2 3.84Å; I220-F225 HydrophobicContact CG1-CZ 4.19Å; P222-F225 PolarHBondContact O-N 3.31Å; F223-F225 PolarHBondContact O-N 3.22Å; F225-L290 HydrophobicContact CB-CD2 3.23Å; F225-L290 HydrophobicContact CB-CG 4.45Å; F225-L290 HydrophobicContact CD1-CD1 4.5Å; F225-L290 HydrophobicContact CD2-CD2 4.46Å; F225-L290 HydrophobicContact CG-CD2 3.88Å
226	L	83.8	Confident	70.9	Confident	33 Å²	33	82.1 Å²	82.1	17%	0.173	43%	0.431	C	S	.	.	H	α-helix	trans	-75.5	-38.9	-177.3	-68.5	171.4	0	0	0	112.8	N204 P222 F223 Y294	N204-L226 HydrophobicContact CB-CD1 4.15Å; P222-L226 HydrophobicContact CB-CD1 4.25Å; P222-L226 WeakPolarHBondContact O-CG 3.21Å; P222-L226 PolarHBondContact O-N 3.38Å; F223-L226 PolarHBondContact O-N 3.17Å; L226-Y294 HydrophobicContact CD2-CE2 4.11Å; L226-Y294 PolarHBondContact O-OH 2.77Å
227	R	83.2	Confident	70.2	Confident	131 Å²	131	85.6 Å²	85.6	49%	0.494	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-7.9	-175.6	-62.6	-176.2	178.7	-178.5	-0	113.2	F223 R229	F223-R227 HydrophobicContact CD1-CG 3.97Å; F223-R227 VanDerWaalsContact CE1-NE 3.33Å; F223-R227 WeakPolarHBondContact O-CA 3.29Å; F223-R227 PolarHBondContact O-N 2.95Å; R227-R229 HydrophobicContact CB-CG 3.89Å; R227-R229 PolarHBondContact O-N 3.47Å
228	G	81.5	Confident	69.3	Low	67 Å²	67	83.3 Å²	83.3	69%	0.691	45%	0.451	S	S	*	.	S	Bend	trans	71.8	6	-173.3	0	0	0	0	0	114.3	F223 H224	F223-G228 PolarHBondContact O-N 3.31Å; H224-G228 WeakPolarHBondContact O-CA 3.24Å; H224-G228 PolarHBondContact O-N 3.22Å
229	R	80.2	Confident	68.3	Low	120 Å²	120	88 Å²	88	45%	0.453	47%	0.467	S	S	.	.	S	Bend	trans	-143.3	153.3	-172.2	65.7	-173.4	-177.5	136.7	9.6	112.1	F223 R227 E232	F223-R229 CarbonylContact C-O 3.5Å; F223-R229 VanDerWaalsContact C-O 3.28Å; R227-R229 HydrophobicContact CB-CG 3.89Å; R227-R229 PolarHBondContact O-N 3.47Å; R229-E232 IonicContact CZ-OE1 2.93Å; R229-E232 IonicContact NH1-OE1 3.44Å; R229-E232 PolarHBondContact NH1-OE1 2.94Å; R229-E232 IonicContact NH2-OE1 3.89Å; R229-E232 PolarHBondContact NH2-OE1 3.39Å
230	P	72.1	Confident	67	Low	58 Å²	58	93.5 Å²	93.5	38%	0.377	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-62.4	159.7	176.7	23.9	-33	0	0	0	111.8	H224 E232	H224-P230 VanDerWaalsContact NE2-CA 3.35Å; H224-P230 WeakPolarHBondContact NE2-CA 3.5Å; H224-P230 WeakPolarHBondContact NE2-CB 3.44Å; P230-E232 PolarHBondContact O-N 2.83Å
231	P	69.9	Low	65.5	Low	39 Å²	39	98.6 Å²	98.6	25%	0.253	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-53.6	133.6	168.7	19	-28.1	0	0	0	110	A205 T221 F223 V233	A205-P231 HydrophobicContact CB-CB 3.92Å; A205-P231 HydrophobicContact CB-CG 4.19Å; T221-P231 HydrophobicContact CG2-CG 4.42Å; F223-P231 HydrophobicContact CD2-CB 3.72Å; F223-P231 HydrophobicContact CD2-CG 4.39Å; F223-P231 HydrophobicContact CE2-CB 4.09Å; P231-V233 PolarHBondContact O-N 2.97Å
232	E	67.2	Low	64.1	Low	120 Å²	120	105.7 Å²	105.7	56%	0.561	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-63.8	119.5	167.6	-71.9	172.5	-175.1	0	0	107.1	R229 P230 N234	R229-E232 IonicContact CZ-OE1 2.93Å; R229-E232 IonicContact NH1-OE1 3.44Å; R229-E232 PolarHBondContact NH1-OE1 2.94Å; R229-E232 IonicContact NH2-OE1 3.89Å; R229-E232 PolarHBondContact NH2-OE1 3.39Å; P230-E232 PolarHBondContact O-N 2.83Å; E232-N234 PolarHBondContact O-N 3.49Å
233	V	59.5	Low	62.5	Low	130 Å²	130	108 Å²	108	79%	0.788	59%	0.585	S	S	*	*			trans	-70.2	113.5	168.2	179.8	0	0	0	0	104.5	P231 T235	P231-V233 PolarHBondContact O-N 2.97Å; V233-T235 VanDerWaalsContact C-N 3.25Å; V233-T235 PolarHBondContact O-N 2.8Å
234	N	52.7	Low	60.9	Low	130 Å²	130	115.1 Å²	115.1	70%	0.695	63%	0.629	S	S	*	*			trans	-53.3	94.6	172.2	-72.1	-16.2	0	0	0	108.3	E232 T236	E232-N234 PolarHBondContact O-N 3.49Å; N234-T236 PolarHBondContact O-N 3.45Å
235	T	38.7	Very low	59.5	Low	124 Å²	124	115.8 Å²	115.8	76%	0.761	64%	0.64	S	S	*	*			trans	-58	119	159	27.8	0	0	0	0	104.5	V233 V237	V233-T235 VanDerWaalsContact C-N 3.25Å; V233-T235 PolarHBondContact O-N 2.8Å; T235-V237 PolarHBondContact O-N 3.27Å
236	T	42.3	Very low	58.2	Low	125 Å²	125	114.8 Å²	114.8	77%	0.767	65%	0.652	S	S	*	*			trans	-45.7	107.4	176.3	43.6	0	0	0	0	108.2	N234 E238	N234-T236 PolarHBondContact O-N 3.45Å; T236-E238 PolarHBondContact O-N 2.79Å
237	V	43.9	Very low	56.9	Low	140 Å²	140	120.1 Å²	120.1	85%	0.848	67%	0.674	S	S	*	*			trans	-55.6	113.1	171.4	-179.7	0	0	0	0	105	T235 K239	T235-V237 PolarHBondContact O-N 3.27Å; V237-K239 PolarHBondContact O-N 2.93Å
238	E	40.6	Very low	55.6	Low	178 Å²	178	115 Å²	115	83%	0.832	66%	0.659	S	S	*	*			trans	-53.2	133.9	174.7	-70.9	-175.9	155.4	0	0	107.2	T236 D240	T236-E238 PolarHBondContact O-N 2.79Å; E238-D240 PolarHBondContact O-N 3Å
239	K	47.4	Very low	54.7	Low	195 Å²	195	114.2 Å²	114.2	85%	0.848	65%	0.646	S	S	*	*			trans	-61.1	102.2	-178.3	-71.3	176.4	176.6	175.2	0	107.3	V237 D241	V237-K239 PolarHBondContact O-N 2.93Å; K239-D241 PolarHBondContact O-N 3.29Å
240	D	44.4	Very low	53.9	Low	144 Å²	144	113.6 Å²	113.6	77%	0.77	65%	0.648	S	S	*	*			trans	-66.1	121.1	166.3	-128.1	-0.4	0	0	0	106.4	E238 L242	E238-D240 PolarHBondContact O-N 3Å; D240-L242 PolarHBondContact O-N 3.22Å
241	D	50.1	Low	53.6	Low	159 Å²	159	115.3 Å²	115.3	85%	0.85	65%	0.654	S	S	*	*			trans	-67.9	72.6	-176.5	-78.4	-34.8	0	0	0	110.3	K239 G243	K239-D241 PolarHBondContact O-N 3.29Å; D241-G243 PolarHBondContact O-N 3.36Å
242	L	50.7	Low	53.7	Low	151 Å²	151	116.9 Å²	116.9	79%	0.791	66%	0.663	S	S	*	*			trans	-70.3	113.3	173.9	-94.1	132.6	0	0	0	109.4	D240	D240-L242 PolarHBondContact O-N 3.22Å
243	G	52.4	Low	54.2	Low	57 Å²	57	117.4 Å²	117.4	59%	0.588	66%	0.663	S	S	*	*			trans	-46.4	142.8	-171.4	0	0	0	0	0	115.6	D241 S245	D241-G243 PolarHBondContact O-N 3.36Å; G243-S245 VanDerWaalsContact C-N 3.3Å; G243-S245 PolarHBondContact O-N 2.89Å
244	T	51.1	Low	54.9	Low	157 Å²	157	116.9 Å²	116.9	96%	0.963	65%	0.647	S	S	*	*			trans	-60.9	76.3	-173.9	-41.6	0	0	0	0	113.2
245	S	52.8	Low	56	Low	65 Å²	65	117.1 Å²	117.1	46%	0.455	64%	0.638	S	S	.	*			trans	-96.5	146.4	161.8	171	0	0	0	0	109.5	G243 F247 A248 A249	G243-S245 VanDerWaalsContact C-N 3.3Å; G243-S245 PolarHBondContact O-N 2.89Å; S245-F247 PolarHBondContact O-N 2.91Å; S245-F247 VanDerWaalsContact O-N 3.12Å; S245-F247 PolarHBondContact OG-N 3.36Å; S245-A248 WeakPolarHBondContact O-CA 3.29Å; S245-A248 WeakPolarHBondContact O-CB 3.23Å; S245-A248 PolarHBondContact O-N 3.35Å; S245-A249 PolarHBondContact O-N 3.07Å
246	A	57.9	Low	57.8	Low	88 Å²	88	116.5 Å²	116.5	73%	0.727	63%	0.627	S	S	*	*	H	α-helix	trans	-53.8	-32.2	172.6	0	0	0	0	0	111.9	A249 E250	A246-A249 PolarHBondContact O-N 3.21Å; A246-E250 PolarHBondContact O-N 3.14Å
247	F	55.4	Low	59.3	Low	145 Å²	145	115.6 Å²	115.6	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-66.9	-43.2	173.2	-173.7	-107.8	0	0	0	112.4	S245 A249 E250 L251	S245-F247 PolarHBondContact O-N 2.91Å; S245-F247 VanDerWaalsContact O-N 3.12Å; S245-F247 PolarHBondContact OG-N 3.36Å; F247-A249 VanDerWaalsContact C-N 3.31Å; F247-A249 PolarHBondContact O-N 3.29Å; F247-E250 PolarHBondContact O-N 3.09Å; F247-L251 HydrophobicContact CD1-CD1 3.77Å; F247-L251 HydrophobicContact CD1-CG 4.33Å; F247-L251 HydrophobicContact CE1-CD1 3.4Å; F247-L251 VanDerWaalsContact CE1-CD1 3.4Å; F247-L251 HydrophobicContact CE1-CG 4.06Å; F247-L251 HydrophobicContact CZ-CD1 3.98Å; F247-L251 HydrophobicContact CZ-CD2 4.34Å; F247-L251 HydrophobicContact CZ-CG 4.22Å; F247-L251 WeakPolarHBondContact O-CG 3.43Å; F247-L251 PolarHBondContact O-N 2.87Å
248	A	57.8	Low	60.7	Low	23 Å²	23	109.9 Å²	109.9	19%	0.19	58%	0.577	C	S	.	*	H	α-helix	trans	-63	-38.7	175	0	0	0	0	0	111.4	S245 T252	S245-A248 WeakPolarHBondContact O-CA 3.29Å; S245-A248 WeakPolarHBondContact O-CB 3.23Å; S245-A248 PolarHBondContact O-N 3.35Å; A248-T252 VanDerWaalsContact O-CB 3.31Å; A248-T252 WeakPolarHBondContact O-CB 3.34Å; A248-T252 PolarHBondContact O-N 3.19Å; A248-T252 PolarHBondContact O-OG1 3.46Å
249	A	62.2	Low	62.4	Low	50 Å²	50	108.7 Å²	108.7	41%	0.413	57%	0.565	S	S	.	*	H	α-helix	trans	-64.5	-41.3	175.6	0	0	0	0	0	112.5	S245 A246 F247 T252 K253	S245-A249 PolarHBondContact O-N 3.07Å; A246-A249 PolarHBondContact O-N 3.21Å; F247-A249 VanDerWaalsContact C-N 3.31Å; F247-A249 PolarHBondContact O-N 3.29Å; A249-T252 WeakPolarHBondContact O-CB 3.23Å; A249-T252 PolarHBondContact O-N 3.42Å; A249-K253 WeakPolarHBondContact O-CG 3.41Å; A249-K253 PolarHBondContact O-N 3.48Å
250	E	63	Low	63.8	Low	107 Å²	107	103 Å²	103	50%	0.5	55%	0.546	S	S	.	.	H	α-helix	trans	-68.6	-44.3	177.1	-171.2	57.4	-150.1	0	0	112.1	A246 F247 T252 K253 R254	A246-E250 PolarHBondContact O-N 3.14Å; F247-E250 PolarHBondContact O-N 3.09Å; E250-T252 PolarHBondContact O-N 2.96Å; E250-K253 PolarHBondContact O-N 2.94Å; E250-K253 VanDerWaalsContact O-N 3.14Å; E250-R254 PolarHBondContact O-N 3.26Å
251	L	64.8	Low	65.1	Low	95 Å²	95	96.6 Å²	96.6	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-56.3	-41	171.6	-73.8	178.1	0	0	0	111.3	F247 R254 W255	F247-L251 HydrophobicContact CD1-CD1 3.77Å; F247-L251 HydrophobicContact CD1-CG 4.33Å; F247-L251 HydrophobicContact CE1-CD1 3.4Å; F247-L251 VanDerWaalsContact CE1-CD1 3.4Å; F247-L251 HydrophobicContact CE1-CG 4.06Å; F247-L251 HydrophobicContact CZ-CD1 3.98Å; F247-L251 HydrophobicContact CZ-CD2 4.34Å; F247-L251 HydrophobicContact CZ-CG 4.22Å; F247-L251 WeakPolarHBondContact O-CG 3.43Å; F247-L251 PolarHBondContact O-N 2.87Å; L251-R254 PolarHBondContact O-N 2.7Å; L251-W255 WeakPolarHBondContact O-CB 3.25Å; L251-W255 PolarHBondContact O-N 3.36Å
252	T	73.9	Confident	66.1	Low	72 Å²	72	89.9 Å²	89.9	44%	0.442	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-43.2	177.2	-59.1	0	0	0	0	111.5	A248 A249 E250 Q256	A248-T252 VanDerWaalsContact O-CB 3.31Å; A248-T252 WeakPolarHBondContact O-CB 3.34Å; A248-T252 PolarHBondContact O-N 3.19Å; A248-T252 PolarHBondContact O-OG1 3.46Å; A249-T252 WeakPolarHBondContact O-CB 3.23Å; A249-T252 PolarHBondContact O-N 3.42Å; E250-T252 PolarHBondContact O-N 2.96Å; T252-Q256 HydrophobicContact CG2-CG 4.48Å; T252-Q256 WeakPolarHBondContact O-CB 3.41Å; T252-Q256 WeakPolarHBondContact O-CG 3.32Å; T252-Q256 PolarHBondContact O-N 3.41Å
253	K	76.3	Confident	67.2	Low	130 Å²	130	85.7 Å²	85.7	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-64.4	-46.1	176.4	-73.3	176.8	-173.5	170.6	0	112.1	A249 E250 W255 Q256 H257	A249-K253 WeakPolarHBondContact O-CG 3.41Å; A249-K253 PolarHBondContact O-N 3.48Å; E250-K253 PolarHBondContact O-N 2.94Å; E250-K253 VanDerWaalsContact O-N 3.14Å; K253-W255 VanDerWaalsContact C-N 3.35Å; K253-W255 PolarHBondContact O-N 2.95Å; K253-Q256 WeakPolarHBondContact O-CB 3.48Å; K253-Q256 PolarHBondContact O-N 3.45Å; K253-H257 PolarHBondContact O-N 2.96Å
254	R	74.9	Confident	68.2	Low	119 Å²	119	87.9 Å²	87.9	45%	0.449	46%	0.455	S	S	.	.	H	α-helix	trans	-65	-40.5	-179.3	-165.5	155.6	-177.1	141	-2.3	111.6	E191 E250 L251 H257 Y258	E191-R254 IonicContact OE1-CZ 2.63Å; E191-R254 IonicContact OE1-NE 3.7Å; E191-R254 PolarHBondContact OE1-NE 3.22Å; E191-R254 IonicContact OE1-NH2 3.53Å; E191-R254 PolarHBondContact OE1-NH2 3.09Å; E191-R254 IonicContact OE2-CZ 3.06Å; E191-R254 IonicContact OE2-NE 2.58Å; E191-R254 IonicContact OE2-NH2 2.84Å; E191-R254 PolarHBondContact OE2-NH2 3.45Å; E250-R254 PolarHBondContact O-N 3.26Å; L251-R254 PolarHBondContact O-N 2.7Å; R254-H257 PolarHBondContact O-N 3.34Å; R254-Y258 PolarHBondContact O-N 3.47Å
255	W	75.1	Confident	69.1	Low	136 Å²	136	80.6 Å²	80.6	52%	0.515	41%	0.41	S	S	.	.	H	α-helix	trans	-64.2	-41.5	171.9	-177.8	-118.6	0	0	0	113	L251 K253 Y258 R259	L251-W255 WeakPolarHBondContact O-CB 3.25Å; L251-W255 PolarHBondContact O-N 3.36Å; K253-W255 VanDerWaalsContact C-N 3.35Å; K253-W255 PolarHBondContact O-N 2.95Å; W255-Y258 AromaticContact CE3-CD1 3.84Å; W255-Y258 HydrophobicContact CE3-CD1 3.84Å; W255-Y258 HydrophobicContact CE3-CG 4.48Å; W255-Y258 HydrophobicContact CH2-CD1 4.16Å; W255-Y258 HydrophobicContact CH2-CE1 4.19Å; W255-Y258 AromaticContact CZ3-CD1 3.56Å; W255-Y258 HydrophobicContact CZ3-CD1 3.56Å; W255-Y258 AromaticContact CZ3-CE1 3.8Å; W255-Y258 HydrophobicContact CZ3-CE1 3.8Å; W255-Y258 WeakPolarHBondContact O-CB 3.47Å; W255-Y258 PolarHBondContact O-N 3.1Å; W255-R259 HydrophobicContact CD2-CG 4.5Å; W255-R259 HydrophobicContact CZ2-CG 4.4Å; W255-R259 WeakPolarHBondContact O-CG 3.13Å; W255-R259 PolarHBondContact O-N 2.85Å
256	Q	76.3	Confident	70.1	Confident	110 Å²	110	80.8 Å²	80.8	51%	0.514	40%	0.4	S	S	.	.	H	α-helix	trans	-61.5	-44.7	174.8	-78	171.7	3.2	0	0	111.7	T252 K253 Y258 R259 V260	T252-Q256 HydrophobicContact CG2-CG 4.48Å; T252-Q256 WeakPolarHBondContact O-CB 3.41Å; T252-Q256 WeakPolarHBondContact O-CG 3.32Å; T252-Q256 PolarHBondContact O-N 3.41Å; K253-Q256 WeakPolarHBondContact O-CB 3.48Å; K253-Q256 PolarHBondContact O-N 3.45Å; Q256-Y258 VanDerWaalsContact C-N 3.31Å; Q256-Y258 PolarHBondContact O-N 2.94Å; Q256-R259 PolarHBondContact O-N 2.85Å; Q256-V260 WeakPolarHBondContact O-CG2 3.25Å; Q256-V260 PolarHBondContact O-N 2.92Å
257	H	74.9	Confident	70.8	Confident	106 Å²	106	81.2 Å²	81.2	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-56.8	-47.5	174.2	178.5	69.6	0	0	0	111.1	K253 R254 R259 V260 V261	K253-H257 PolarHBondContact O-N 2.96Å; R254-H257 PolarHBondContact O-N 3.34Å; H257-R259 PolarHBondContact O-N 3.4Å; H257-V260 WeakPolarHBondContact O-CB 3.44Å; H257-V260 PolarHBondContact O-N 2.74Å; H257-V260 VanDerWaalsContact O-N 3.14Å; H257-V261 WeakPolarHBondContact O-CG2 3.28Å; H257-V261 PolarHBondContact O-N 2.97Å
258	Y	73.5	Confident	71.5	Confident	21 Å²	21	79 Å²	79	8%	0.082	38%	0.378	C	S	.	.	H	α-helix	trans	-57.1	-47	177.4	179.5	-101.1	0	0	0	113	T194 M195 E198 R254 W255 Q256 V260 V261 L262	T194-Y258 HydrophobicContact CG2-CE1 4.33Å; T194-Y258 WeakPolarHBondContact CG2-OH 3.48Å; T194-Y258 PolarHBondContact O-OH 3.39Å; T194-Y258 VanDerWaalsContact O-OH 3.09Å; M195-Y258 VanDerWaalsContact CA-OH 3.25Å; M195-Y258 WeakPolarHBondContact CA-OH 3.35Å; M195-Y258 HydrophobicContact CB-CE2 3.97Å; M195-Y258 HydrophobicContact CG-CE2 4.22Å; M195-Y258 PolarHBondContact N-OH 3.45Å; E198-Y258 VanDerWaalsContact CG-OH 3.23Å; E198-Y258 WeakPolarHBondContact CG-OH 3.36Å; R254-Y258 PolarHBondContact O-N 3.47Å; W255-Y258 AromaticContact CE3-CD1 3.84Å; W255-Y258 HydrophobicContact CE3-CD1 3.84Å; W255-Y258 HydrophobicContact CE3-CG 4.48Å; W255-Y258 HydrophobicContact CH2-CD1 4.16Å; W255-Y258 HydrophobicContact CH2-CE1 4.19Å; W255-Y258 AromaticContact CZ3-CD1 3.56Å; W255-Y258 HydrophobicContact CZ3-CD1 3.56Å; W255-Y258 AromaticContact CZ3-CE1 3.8Å; W255-Y258 HydrophobicContact CZ3-CE1 3.8Å; W255-Y258 WeakPolarHBondContact O-CB 3.47Å; W255-Y258 PolarHBondContact O-N 3.1Å; Q256-Y258 VanDerWaalsContact C-N 3.31Å; Q256-Y258 PolarHBondContact O-N 2.94Å; Y258-V260 VanDerWaalsContact C-N 3.3Å; Y258-V260 PolarHBondContact O-N 3.32Å; Y258-V261 PolarHBondContact O-N 2.86Å; Y258-L262 HydrophobicContact CD1-CD1 3.9Å; Y258-L262 HydrophobicContact CD1-CG 4.4Å; Y258-L262 HydrophobicContact CE1-CD1 3.23Å; Y258-L262 HydrophobicContact CE1-CG 3.94Å; Y258-L262 HydrophobicContact CE2-CG 4.45Å; Y258-L262 PolarHBondContact O-N 2.78Å
259	R	75.3	Confident	72	Confident	153 Å²	153	79 Å²	79	58%	0.577	37%	0.373	S	S	*	.	H	α-helix	trans	-61.3	-37	176.3	-72.5	-174.5	66.3	175.7	2.7	112.8	W255 Q256 H257 S263	W255-R259 HydrophobicContact CD2-CG 4.5Å; W255-R259 HydrophobicContact CZ2-CG 4.4Å; W255-R259 WeakPolarHBondContact O-CG 3.13Å; W255-R259 PolarHBondContact O-N 2.85Å; Q256-R259 PolarHBondContact O-N 2.85Å; H257-R259 PolarHBondContact O-N 3.4Å; R259-S263 WeakPolarHBondContact O-CB 3.45Å; R259-S263 PolarHBondContact O-N 3.19Å
260	V	76.5	Confident	72.3	Confident	76 Å²	76	81.4 Å²	81.4	46%	0.461	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-47.1	175.4	170.4	0	0	0	0	110.4	Q256 H257 Y258 L262 S263 Q264	Q256-V260 WeakPolarHBondContact O-CG2 3.25Å; Q256-V260 PolarHBondContact O-N 2.92Å; H257-V260 WeakPolarHBondContact O-CB 3.44Å; H257-V260 PolarHBondContact O-N 2.74Å; H257-V260 VanDerWaalsContact O-N 3.14Å; Y258-V260 VanDerWaalsContact C-N 3.3Å; Y258-V260 PolarHBondContact O-N 3.32Å; V260-L262 VanDerWaalsContact C-N 3.35Å; V260-L262 PolarHBondContact O-N 2.65Å; V260-S263 PolarHBondContact O-N 2.85Å; V260-Q264 VanDerWaalsContact O-CG 3.32Å; V260-Q264 WeakPolarHBondContact O-CG 3.37Å; V260-Q264 PolarHBondContact O-N 3.3Å
261	V	72.9	Confident	72.5	Confident	8 Å²	8	84 Å²	84	5%	0.048	38%	0.384	C	S	.	.	H	α-helix	trans	-59.3	-45.3	177.8	174.7	0	0	0	0	110.9	L182 M195 H257 Y258 Q264 L265	L182-V261 HydrophobicContact CD2-CG1 4.22Å; M195-V261 HydrophobicContact CE-CG1 3.81Å; H257-V261 WeakPolarHBondContact O-CG2 3.28Å; H257-V261 PolarHBondContact O-N 2.97Å; Y258-V261 PolarHBondContact O-N 2.86Å; V261-Q264 PolarHBondContact O-N 3.42Å; V261-L265 WeakPolarHBondContact O-CB 3.37Å; V261-L265 PolarHBondContact O-N 3.36Å
262	L	71	Confident	72.7	Confident	19 Å²	19	82.6 Å²	82.6	10%	0.099	37%	0.374	C	S	.	.	H	α-helix	trans	-63.3	-43	176	-74.8	-177.4	0	0	0	113	M195 E198 Y258 V260 Q264 L265 W266	M195-L262 HydrophobicContact CG-CD2 4.42Å; E198-L262 HydrophobicContact CB-CD1 4.03Å; E198-L262 HydrophobicContact CB-CD2 3.69Å; E198-L262 HydrophobicContact CG-CD1 3.85Å; E198-L262 HydrophobicContact CG-CD2 4.41Å; Y258-L262 HydrophobicContact CD1-CD1 3.9Å; Y258-L262 HydrophobicContact CD1-CG 4.4Å; Y258-L262 HydrophobicContact CE1-CD1 3.23Å; Y258-L262 HydrophobicContact CE1-CG 3.94Å; Y258-L262 HydrophobicContact CE2-CG 4.45Å; Y258-L262 PolarHBondContact O-N 2.78Å; V260-L262 VanDerWaalsContact C-N 3.35Å; V260-L262 PolarHBondContact O-N 2.65Å; L262-Q264 VanDerWaalsContact C-N 3.33Å; L262-Q264 PolarHBondContact O-N 3.2Å; L262-L265 WeakPolarHBondContact O-CB 3.44Å; L262-L265 PolarHBondContact O-N 3.27Å; L262-W266 PolarHBondContact O-N 3.02Å
263	S	72.8	Confident	72.2	Confident	62 Å²	62	81.2 Å²	81.2	43%	0.434	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-42.8	177.7	179.5	0	0	0	0	111.6	R259 V260 L265 W266 N267	R259-S263 WeakPolarHBondContact O-CB 3.45Å; R259-S263 PolarHBondContact O-N 3.19Å; V260-S263 PolarHBondContact O-N 2.85Å; S263-L265 VanDerWaalsContact C-N 3.34Å; S263-L265 PolarHBondContact O-N 2.94Å; S263-W266 PolarHBondContact O-N 3.43Å; S263-N267 WeakPolarHBondContact O-CB 3.38Å; S263-N267 VanDerWaalsContact O-CG 3.31Å; S263-N267 PolarHBondContact O-N 3.14Å; S263-N267 PolarHBondContact O-ND2 3.04Å
264	Q	73.7	Confident	71.5	Confident	104 Å²	104	78 Å²	78	49%	0.486	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-42.8	174.6	-71.4	175.7	5	0	0	111.9	T181 V260 V261 L262 W266 R268	T181-Q264 HydrophobicContact CG2-CB 4.28Å; V260-Q264 VanDerWaalsContact O-CG 3.32Å; V260-Q264 WeakPolarHBondContact O-CG 3.37Å; V260-Q264 PolarHBondContact O-N 3.3Å; V261-Q264 PolarHBondContact O-N 3.42Å; L262-Q264 VanDerWaalsContact C-N 3.33Å; L262-Q264 PolarHBondContact O-N 3.2Å; Q264-W266 VanDerWaalsContact C-N 3.32Å; Q264-W266 PolarHBondContact O-N 3Å; Q264-R268 WeakPolarHBondContact O-CB 3.4Å; Q264-R268 PolarHBondContact O-N 2.7Å; Q264-R268 VanDerWaalsContact O-N 3.17Å
265	L	70.8	Confident	70.8	Confident	4 Å²	4	75.9 Å²	75.9	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-58.2	-47.9	176.6	-175.5	134.9	0	0	0	110.5	A177 L178 T181 M195 V199 V261 L262 S263 R268 W269	A177-L265 HydrophobicContact CB-CD1 3.67Å; A177-L265 HydrophobicContact CB-CG 3.85Å; L178-L265 HydrophobicContact CD2-CD1 4.41Å; T181-L265 HydrophobicContact CG2-CB 3.72Å; T181-L265 HydrophobicContact CG2-CD1 4.35Å; T181-L265 HydrophobicContact CG2-CG 4.41Å; M195-L265 HydrophobicContact CE-CD1 4.16Å; V199-L265 HydrophobicContact CG2-CD1 3.63Å; V199-L265 HydrophobicContact CG2-CD2 3.96Å; V199-L265 HydrophobicContact CG2-CG 4.46Å; V261-L265 WeakPolarHBondContact O-CB 3.37Å; V261-L265 PolarHBondContact O-N 3.36Å; L262-L265 WeakPolarHBondContact O-CB 3.44Å; L262-L265 PolarHBondContact O-N 3.27Å; S263-L265 VanDerWaalsContact C-N 3.34Å; S263-L265 PolarHBondContact O-N 2.94Å; L265-R268 PolarHBondContact O-N 3.33Å; L265-W269 WeakPolarHBondContact O-CB 3.22Å; L265-W269 PolarHBondContact O-N 3.48Å
266	W	72.8	Confident	70	Confident	68 Å²	68	75.7 Å²	75.7	26%	0.258	36%	0.355	S	S	.	.	H	α-helix	trans	-67.2	-47.5	-177.5	-177.5	-126.4	0	0	0	113.6	Q202 L262 S263 Q264 R268 W269 K270	Q202-W266 HydrophobicContact CB-CE3 4.12Å; Q202-W266 HydrophobicContact CB-CZ3 3.98Å; Q202-W266 HydrophobicContact CG-CE3 4.25Å; Q202-W266 HydrophobicContact CG-CZ3 4.45Å; L262-W266 PolarHBondContact O-N 3.02Å; S263-W266 PolarHBondContact O-N 3.43Å; Q264-W266 VanDerWaalsContact C-N 3.32Å; Q264-W266 PolarHBondContact O-N 3Å; W266-R268 PolarHBondContact O-N 2.96Å; W266-W269 HydrophobicContact CD2-CE3 4.46Å; W266-W269 HydrophobicContact CE3-CB 4.45Å; W266-W269 HydrophobicContact CE3-CD2 4.18Å; W266-W269 AromaticContact CE3-CE3 3.59Å; W266-W269 HydrophobicContact CE3-CE3 3.59Å; W266-W269 HydrophobicContact CE3-CZ3 4.27Å; W266-W269 AromaticContact CH2-CE3 3.59Å; W266-W269 HydrophobicContact CH2-CE3 3.59Å; W266-W269 HydrophobicContact CH2-CH2 4.28Å; W266-W269 AromaticContact CH2-CZ3 3.38Å; W266-W269 HydrophobicContact CH2-CZ3 3.38Å; W266-W269 HydrophobicContact CZ2-CE3 4.47Å; W266-W269 HydrophobicContact CZ2-CZ3 4.33Å; W266-W269 AromaticContact CZ3-CD2 3.79Å; W266-W269 HydrophobicContact CZ3-CD2 3.79Å; W266-W269 AromaticContact CZ3-CE3 3.07Å; W266-W269 HydrophobicContact CZ3-CE3 3.07Å; W266-W269 HydrophobicContact CZ3-CH2 4.24Å; W266-W269 AromaticContact CZ3-CZ3 3.36Å; W266-W269 HydrophobicContact CZ3-CZ3 3.36Å; W266-W269 PolarHBondContact O-N 3.28Å; W266-W269 VanDerWaalsContact O-N 3.17Å; W266-K270 HydrophobicContact CD2-CD 4.48Å; W266-K270 HydrophobicContact CD2-CG 4.31Å; W266-K270 HydrophobicContact CZ2-CD 4.18Å; W266-K270 HydrophobicContact CZ2-CG 4.09Å; W266-K270 PolarHBondContact O-N 3.43Å
267	N	73.1	Confident	68.8	Low	97 Å²	97	71 Å²	71	52%	0.519	34%	0.335	S	S	.	.	H	α-helix	trans	-56.9	-37.9	177.5	-74.3	-30.4	0	0	0	111.2	S263 K271	S263-N267 WeakPolarHBondContact O-CB 3.38Å; S263-N267 VanDerWaalsContact O-CG 3.31Å; S263-N267 PolarHBondContact O-N 3.14Å; S263-N267 PolarHBondContact O-ND2 3.04Å; N267-K271 WeakPolarHBondContact O-CB 3.37Å; N267-K271 PolarHBondContact O-N 3.41Å
268	R	69.2	Low	67.5	Low	98 Å²	98	72.3 Å²	72.3	37%	0.37	34%	0.342	S	S	.	.	H	α-helix	trans	-73.4	-45.5	176.6	-169.3	171.9	-164.5	125.8	18.3	112.6	K180 Q264 L265 W266 K270 K271 E272	K180-R268 VanDerWaalsContact NZ-CZ 3.33Å; Q264-R268 WeakPolarHBondContact O-CB 3.4Å; Q264-R268 PolarHBondContact O-N 2.7Å; Q264-R268 VanDerWaalsContact O-N 3.17Å; L265-R268 PolarHBondContact O-N 3.33Å; W266-R268 PolarHBondContact O-N 2.96Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 2.96Å; R268-K271 PolarHBondContact O-N 2.97Å; R268-K271 VanDerWaalsContact O-N 3.16Å; R268-E272 HydrophobicContact CG-CG 4.19Å; R268-E272 WeakPolarHBondContact CG-OE1 3.21Å; R268-E272 IonicContact CZ-OE1 2.71Å; R268-E272 IonicContact NE-OE1 3.75Å; R268-E272 PolarHBondContact NE-OE1 2.89Å; R268-E272 IonicContact NH2-OE1 2.87Å; R268-E272 PolarHBondContact NH2-OE1 3.23Å; R268-E272 WeakPolarHBondContact O-CB 3.38Å; R268-E272 WeakPolarHBondContact O-CG 3.1Å; R268-E272 PolarHBondContact O-N 2.82Å
269	W	69.5	Low	66.1	Low	25 Å²	25	75.8 Å²	75.8	10%	0.095	37%	0.365	C	S	.	.	H	α-helix	trans	-57.6	-46.5	177.9	178.5	91.6	0	0	0	110.8	R206 L265 W266 K271 E272 Y273	R206-W269 HydrophobicContact CB-CH2 3.33Å; R206-W269 HydrophobicContact CB-CZ2 3.43Å; R206-W269 VanDerWaalsContact CB-CZ2 3.43Å; R206-W269 HydrophobicContact CG-CZ2 4.33Å; L265-W269 WeakPolarHBondContact O-CB 3.22Å; L265-W269 PolarHBondContact O-N 3.48Å; W266-W269 HydrophobicContact CD2-CE3 4.46Å; W266-W269 HydrophobicContact CE3-CB 4.45Å; W266-W269 HydrophobicContact CE3-CD2 4.18Å; W266-W269 AromaticContact CE3-CE3 3.59Å; W266-W269 HydrophobicContact CE3-CE3 3.59Å; W266-W269 HydrophobicContact CE3-CZ3 4.27Å; W266-W269 AromaticContact CH2-CE3 3.59Å; W266-W269 HydrophobicContact CH2-CE3 3.59Å; W266-W269 HydrophobicContact CH2-CH2 4.28Å; W266-W269 AromaticContact CH2-CZ3 3.38Å; W266-W269 HydrophobicContact CH2-CZ3 3.38Å; W266-W269 HydrophobicContact CZ2-CE3 4.47Å; W266-W269 HydrophobicContact CZ2-CZ3 4.33Å; W266-W269 AromaticContact CZ3-CD2 3.79Å; W266-W269 HydrophobicContact CZ3-CD2 3.79Å; W266-W269 AromaticContact CZ3-CE3 3.07Å; W266-W269 HydrophobicContact CZ3-CE3 3.07Å; W266-W269 HydrophobicContact CZ3-CH2 4.24Å; W266-W269 AromaticContact CZ3-CZ3 3.36Å; W266-W269 HydrophobicContact CZ3-CZ3 3.36Å; W266-W269 PolarHBondContact O-N 3.28Å; W266-W269 VanDerWaalsContact O-N 3.17Å; W269-K271 VanDerWaalsContact C-N 3.34Å; W269-K271 PolarHBondContact O-N 3.35Å; W269-E272 PolarHBondContact O-N 3.47Å; W269-Y273 AromaticContact CE2-CG 3.89Å; W269-Y273 AromaticContact CH2-CD1 3.54Å; W269-Y273 HydrophobicContact CH2-CD1 3.54Å; W269-Y273 HydrophobicContact CH2-CE1 4.11Å; W269-Y273 HydrophobicContact CH2-CG 4.17Å; W269-Y273 AromaticContact CZ2-CD1 3.33Å; W269-Y273 HydrophobicContact CZ2-CD1 3.33Å; W269-Y273 HydrophobicContact CZ2-CD2 4.3Å; W269-Y273 AromaticContact CZ2-CE1 3.85Å; W269-Y273 HydrophobicContact CZ2-CE1 3.85Å; W269-Y273 AromaticContact CZ2-CG 3.59Å; W269-Y273 HydrophobicContact CZ2-CG 3.59Å; W269-Y273 HydrophobicContact CZ3-CD1 4.47Å; W269-Y273 WeakPolarHBondContact O-CB 3.48Å; W269-Y273 PolarHBondContact O-N 2.9Å
270	K	68.8	Low	64.7	Low	99 Å²	99	75 Å²	75	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-55	-49.4	174.2	-83.8	179.9	165.8	170.4	0	111.4	W266 R268 E272 V274	W266-K270 HydrophobicContact CD2-CD 4.48Å; W266-K270 HydrophobicContact CD2-CG 4.31Å; W266-K270 HydrophobicContact CZ2-CD 4.18Å; W266-K270 HydrophobicContact CZ2-CG 4.09Å; W266-K270 PolarHBondContact O-N 3.43Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 2.96Å; K270-E272 PolarHBondContact O-N 2.77Å; K270-V274 WeakPolarHBondContact O-CB 3.34Å; K270-V274 VanDerWaalsContact O-CG2 3.26Å; K270-V274 WeakPolarHBondContact O-CG2 3.31Å; K270-V274 PolarHBondContact O-N 2.91Å
271	K	66.9	Low	63	Low	163 Å²	163	74.4 Å²	74.4	71%	0.709	38%	0.377	S	S	*	.	H	α-helix	trans	-65.2	-38.4	-178.8	-169.5	175.1	-177.8	174.5	0	113.1	N267 R268 W269 V275	N267-K271 WeakPolarHBondContact O-CB 3.37Å; N267-K271 PolarHBondContact O-N 3.41Å; R268-K271 PolarHBondContact O-N 2.97Å; R268-K271 VanDerWaalsContact O-N 3.16Å; W269-K271 VanDerWaalsContact C-N 3.34Å; W269-K271 PolarHBondContact O-N 3.35Å; K271-V275 WeakPolarHBondContact O-CG2 3.49Å
272	E	69.3	Low	61.5	Low	64 Å²	64	78 Å²	78	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-86	-32.4	-176.2	-68.5	-174.7	-174.7	0	0	113.1	K180 R268 W269 K270 K276	K180-E272 IonicContact NZ-OE1 2.77Å; R268-E272 HydrophobicContact CG-CG 4.19Å; R268-E272 WeakPolarHBondContact CG-OE1 3.21Å; R268-E272 IonicContact CZ-OE1 2.71Å; R268-E272 IonicContact NE-OE1 3.75Å; R268-E272 PolarHBondContact NE-OE1 2.89Å; R268-E272 IonicContact NH2-OE1 2.87Å; R268-E272 PolarHBondContact NH2-OE1 3.23Å; R268-E272 WeakPolarHBondContact O-CB 3.38Å; R268-E272 WeakPolarHBondContact O-CG 3.1Å; R268-E272 PolarHBondContact O-N 2.82Å; W269-E272 PolarHBondContact O-N 3.47Å; K270-E272 PolarHBondContact O-N 2.77Å; E272-K276 WeakPolarHBondContact O-CD 3.15Å; E272-K276 VanDerWaalsContact O-CG 3.31Å; E272-K276 WeakPolarHBondContact O-CG 3.37Å
273	Y	63.6	Low	59.8	Low	44 Å²	44	86 Å²	86	17%	0.173	43%	0.432	C	S	.	.	H	α-helix	trans	-89.1	-50.3	-177	-174.6	-99.8	0	0	0	112.7	R206 W269 V275 K276 A277	R206-Y273 PolarHBondContact NE-OH 3.5Å; W269-Y273 AromaticContact CE2-CG 3.89Å; W269-Y273 AromaticContact CH2-CD1 3.54Å; W269-Y273 HydrophobicContact CH2-CD1 3.54Å; W269-Y273 HydrophobicContact CH2-CE1 4.11Å; W269-Y273 HydrophobicContact CH2-CG 4.17Å; W269-Y273 AromaticContact CZ2-CD1 3.33Å; W269-Y273 HydrophobicContact CZ2-CD1 3.33Å; W269-Y273 HydrophobicContact CZ2-CD2 4.3Å; W269-Y273 AromaticContact CZ2-CE1 3.85Å; W269-Y273 HydrophobicContact CZ2-CE1 3.85Å; W269-Y273 AromaticContact CZ2-CG 3.59Å; W269-Y273 HydrophobicContact CZ2-CG 3.59Å; W269-Y273 HydrophobicContact CZ3-CD1 4.47Å; W269-Y273 WeakPolarHBondContact O-CB 3.48Å; W269-Y273 PolarHBondContact O-N 2.9Å; Y273-V275 VanDerWaalsContact C-N 3.34Å; Y273-V275 PolarHBondContact O-N 2.58Å; Y273-K276 PolarHBondContact O-N 2.85Å; Y273-K276 VanDerWaalsContact O-N 3.15Å; Y273-A277 PolarHBondContact O-N 2.74Å
274	V	60.6	Low	58	Low	62 Å²	62	92.6 Å²	92.6	38%	0.376	45%	0.453	S	S	.	.	H	α-helix	trans	-61.8	-44.5	-175.1	179	0	0	0	0	110.4	K270 K276 A277 E278	K270-V274 WeakPolarHBondContact O-CB 3.34Å; K270-V274 VanDerWaalsContact O-CG2 3.26Å; K270-V274 WeakPolarHBondContact O-CG2 3.31Å; K270-V274 PolarHBondContact O-N 2.91Å; V274-K276 VanDerWaalsContact C-N 3.32Å; V274-K276 PolarHBondContact O-N 3.4Å; V274-A277 WeakPolarHBondContact O-CB 3.44Å; V274-A277 PolarHBondContact O-N 2.84Å; V274-E278 PolarHBondContact O-N 3.14Å
275	V	59.8	Low	56	Low	74 Å²	74	94.7 Å²	94.7	45%	0.448	47%	0.468	S	S	.	.	H	α-helix	trans	-61.6	-39.8	177.4	178.9	0	0	0	0	111.7	K271 Y273 E278 T279	K271-V275 WeakPolarHBondContact O-CG2 3.49Å; Y273-V275 VanDerWaalsContact C-N 3.34Å; Y273-V275 PolarHBondContact O-N 2.58Å; V275-E278 PolarHBondContact O-N 2.67Å; V275-T279 PolarHBondContact O-N 3.35Å; V275-T279 PolarHBondContact O-OG1 3.42Å
276	K	57.6	Low	54.3	Low	132 Å²	132	98.4 Å²	98.4	57%	0.574	49%	0.488	S	S	*	.	H	α-helix	trans	-69	-36.3	177.7	-79.7	-178.7	-176.6	173	0	112.3	E272 Y273 V274 T279 H280	E272-K276 WeakPolarHBondContact O-CD 3.15Å; E272-K276 VanDerWaalsContact O-CG 3.31Å; E272-K276 WeakPolarHBondContact O-CG 3.37Å; Y273-K276 PolarHBondContact O-N 2.85Å; Y273-K276 VanDerWaalsContact O-N 3.15Å; V274-K276 VanDerWaalsContact C-N 3.32Å; V274-K276 PolarHBondContact O-N 3.4Å; K276-T279 WeakPolarHBondContact CA-OG1 3.4Å; K276-T279 PolarHBondContact O-N 2.92Å; K276-T279 PolarHBondContact O-OG1 3.26Å; K276-H280 PolarHBondContact O-N 2.95Å; K276-H280 VanDerWaalsContact O-N 3.12Å
277	A	53.1	Low	52.4	Low	11 Å²	11	100.1 Å²	100.1	9%	0.091	51%	0.507	C	S	.	.	H	α-helix	trans	-62.8	-45.5	175.6	0	0	0	0	0	109.8	F210 Y273 V274 T279 H280	F210-A277 VanDerWaalsContact CE1-C 3.44Å; F210-A277 HydrophobicContact CE1-CB 3.54Å; F210-A277 HydrophobicContact CZ-CB 3.5Å; F210-A277 VanDerWaalsContact CZ-CB 3.5Å; F210-A277 WeakPolarHBondContact CZ-O 3.39Å; Y273-A277 PolarHBondContact O-N 2.74Å; V274-A277 WeakPolarHBondContact O-CB 3.44Å; V274-A277 PolarHBondContact O-N 2.84Å; A277-T279 VanDerWaalsContact C-N 3.3Å; A277-T279 PolarHBondContact O-N 3.32Å; A277-H280 CarbonylContact O-C 3.53Å; A277-H280 PolarHBondContact O-N 3.01Å
278	E	46.5	Very low	50.5	Low	135 Å²	135	100.9 Å²	100.9	63%	0.631	51%	0.511	S	S	*	.	H	α-helix	trans	-57	-41.1	176.2	-71.5	173.7	174.5	0	0	112.6	F210 V274 V275	F210-E278 HydrophobicContact CE1-CG 4.3Å; V274-E278 PolarHBondContact O-N 3.14Å; V275-E278 PolarHBondContact O-N 2.67Å
279	T	44.7	Very low	48.8	Very low	93 Å²	93	99.6 Å²	99.6	57%	0.571	51%	0.511	S	S	*	.	H	α-helix	trans	-75.7	-25.4	-178.5	53.4	0	0	0	0	114.7	V275 K276 A277	V275-T279 PolarHBondContact O-N 3.35Å; V275-T279 PolarHBondContact O-OG1 3.42Å; K276-T279 WeakPolarHBondContact CA-OG1 3.4Å; K276-T279 PolarHBondContact O-N 2.92Å; K276-T279 PolarHBondContact O-OG1 3.26Å; A277-T279 VanDerWaalsContact C-N 3.3Å; A277-T279 PolarHBondContact O-N 3.32Å
280	H	44.5	Very low	47.1	Very low	137 Å²	137	102 Å²	102	63%	0.634	53%	0.526	S	S	*	.	S	Bend	trans	-128.3	79.8	-174.3	-67.4	-71.8	0	0	0	108.1	K276 A277 L282	K276-H280 PolarHBondContact O-N 2.95Å; K276-H280 VanDerWaalsContact O-N 3.12Å; A277-H280 CarbonylContact O-C 3.53Å; A277-H280 PolarHBondContact O-N 3.01Å; H280-L282 PolarHBondContact O-N 2.95Å
281	G	41.9	Very low	45.2	Very low	63 Å²	63	101.2 Å²	101.2	65%	0.649	54%	0.537	S	S	*	.			trans	-44	106.4	171.9	0	0	0	0	0	109.4	E283	G281-E283 PolarHBondContact O-N 3.21Å
282	L	40.8	Very low	43.8	Very low	84 Å²	84	96.2 Å²	96.2	44%	0.44	52%	0.518	S	S	.	.			trans	-59.7	108.9	-170.1	-72.4	162.6	0	0	0	108	H280 K284	H280-L282 PolarHBondContact O-N 2.95Å; L282-K284 PolarHBondContact O-N 2.91Å
283	E	34.8	Very low	42.1	Very low	187 Å²	187	95.9 Å²	95.9	87%	0.874	52%	0.515	S	S	*	.			trans	-48.4	127.5	174.4	-77.3	172.2	148.9	0	0	109.3	G281 D285	G281-E283 PolarHBondContact O-N 3.21Å; E283-D285 PolarHBondContact O-N 2.95Å
284	K	35.2	Very low	40.5	Very low	200 Å²	200	100.5 Å²	100.5	87%	0.87	53%	0.534	S	S	*	.	S	Bend	trans	-70	1.9	-163	-79.7	-179.6	172.2	177	0	115.7	L282	L282-K284 PolarHBondContact O-N 2.91Å
285	D	31.9	Very low	39.3	Very low	149 Å²	149	105.8 Å²	105.8	80%	0.797	56%	0.559	S	S	*	*			trans	-120.5	39.3	-161.2	-63.8	-33.8	0	0	0	115.3	E283	E283-D285 PolarHBondContact O-N 2.95Å
286	N	34.6	Very low	38.3	Very low	81 Å²	81	107.4 Å²	107.4	43%	0.433	56%	0.564	S	S	.	*			trans	-133.8	90.2	170.6	-150.9	-26.8	0	0	0	114.3	L288	N286-L288 PolarHBondContact O-N 3.45Å; N286-L288 VanDerWaalsContact O-N 3.14Å; N286-L288 WeakPolarHBondContact OD1-CB 3.44Å; N286-L288 PolarHBondContact OD1-N 3.29Å
287	P	34.3	Very low	37.3	Very low	104 Å²	104	106.1 Å²	106.1	68%	0.675	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-71.1	2.5	178.6	26.6	-31.3	0	0	0	114.7	L289	P287-L289 PolarHBondContact O-N 3.44Å
288	L	32.8	Very low	36.4	Very low	113 Å²	113	111.4 Å²	111.4	59%	0.592	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-78.9	3.4	-179.5	-63.9	176	0	0	0	114.9	N286 L290	N286-L288 PolarHBondContact O-N 3.45Å; N286-L288 VanDerWaalsContact O-N 3.14Å; N286-L288 WeakPolarHBondContact OD1-CB 3.44Å; N286-L288 PolarHBondContact OD1-N 3.29Å; L288-L290 PolarHBondContact O-N 3.29Å
289	L	34.4	Very low	35.8	Very low	72 Å²	72	110 Å²	110	38%	0.377	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-61.7	-8.7	171.3	-84.2	167.5	0	0	0	114	L170 P287	L170-L289 HydrophobicContact CD1-CD2 3.81Å; P287-L289 PolarHBondContact O-N 3.44Å
290	L	32.5	Very low	35.3	Very low	76 Å²	76	111.1 Å²	111.1	40%	0.398	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-89.5	-9.7	-165	-89.6	159.9	0	0	0	117.3	F225 L288	F225-L290 HydrophobicContact CB-CD2 3.23Å; F225-L290 HydrophobicContact CB-CG 4.45Å; F225-L290 HydrophobicContact CD1-CD1 4.5Å; F225-L290 HydrophobicContact CD2-CD2 4.46Å; F225-L290 HydrophobicContact CG-CD2 3.88Å; L288-L290 PolarHBondContact O-N 3.29Å
291	A	30	Very low	34.6	Very low	81 Å²	81	109.3 Å²	109.3	67%	0.669	59%	0.586	S	S	*	*			trans	-109.9	6.5	-164.1	0	0	0	0	0	116.9	F293	A291-F293 PolarHBondContact O-N 3.06Å
292	I	37.2	Very low	34.1	Very low	59 Å²	59	112.6 Å²	112.6	30%	0.303	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-18.3	-165.5	-58.6	176.7	0	0	0	114.8	W167 L170	W167-I292 HydrophobicContact CB-CD1 3.34Å; W167-I292 HydrophobicContact CB-CG1 4.14Å; L170-I292 HydrophobicContact CB-CD1 4.47Å; L170-I292 HydrophobicContact CD1-CD1 3.71Å
293	F	33.1	Very low	33.6	Very low	56 Å²	56	114.8 Å²	114.8	25%	0.246	59%	0.592	C	S	.	*	T	Hydrogen-bonded Turn	trans	-139.2	44.1	-172	-63.7	-75.4	0	0	0	115.7	E200 I203 A291 L295	E200-F293 HydrophobicContact CG-CB 3.75Å; E200-F293 HydrophobicContact CG-CD1 3.82Å; E200-F293 HydrophobicContact CG-CD2 3.92Å; E200-F293 HydrophobicContact CG-CE1 4.36Å; E200-F293 HydrophobicContact CG-CE2 4.44Å; E200-F293 HydrophobicContact CG-CG 3.57Å; E200-F293 WeakPolarHBondContact OE1-CB 3.26Å; I203-F293 HydrophobicContact CG2-CE2 4.42Å; A291-F293 PolarHBondContact O-N 3.06Å; F293-L295 PolarHBondContact O-N 3.12Å
294	Y	29.7	Very low	33.5	Very low	142 Å²	142	108.8 Å²	108.8	56%	0.557	57%	0.568	S	S	*	*			trans	-83.8	79.1	144.9	-75.7	-81	0	0	0	107.3	L226	L226-Y294 HydrophobicContact CD2-CE2 4.11Å; L226-Y294 PolarHBondContact O-OH 2.77Å
295	L	36.3	Very low	33.3	Very low	173 Å²	173	100.5 Å²	100.5	91%	0.906	54%	0.541	S	S	*	.			trans	-80.4	0	145.8	-75.6	170.6	0	0	0	107.9	F293	F293-L295 PolarHBondContact O-N 3.12Å

Retrieved 295 of 295 residues in 167.1 ms (Link to these results)

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