A0A087WS80_MOUSE Loading...

Phenylalanyl-tRNA synthetase, beta subunit

AlphaFold DB , UniProt , Accession A0A087WS80, Species MOUSE (Mus musculus, Mouse), Gene Farsb, Length 206 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	77.3	Confident	89.5	Confident	144 Å²	144	42.2 Å²	42.2	71%	0.709	22%	0.223	S	C	*	.				0	-172.1	0	-71.6	157.3	-81.3	0	0	106.3	T3 D99 V100	M1-T3 PolarHBondContact O-N 3.43Å; M1-D99 WeakPolarHBondContact CB-OD2 3.46Å; M1-D99 HydrophobicContact CE-CB 4.36Å; M1-D99 WeakPolarHBondContact CE-OD2 3.29Å; M1-D99 PolarHBondContact N-OD2 2.81Å; M1-V100 WeakPolarHBondContact CB-O 3.43Å
2	P	90.2	Very high	89.5	Confident	22 Å²	22	39.6 Å²	39.6	14%	0.143	21%	0.208	C	C	.	.			trans	-63.8	121.9	168.1	23	-31.9	0	0	0	109.9	V100 L108	P2-V100 WeakPolarHBondContact CD-O 3.4Å; P2-V100 VanDerWaalsContact CG-O 3.23Å; P2-V100 WeakPolarHBondContact CG-O 3.46Å; P2-V100 PolarHBondContact O-N 2.91Å; P2-L108 HydrophobicContact CB-CD2 3.82Å; P2-L108 HydrophobicContact CG-CD2 4.11Å
3	T	92.9	Very high	89.4	Confident	39 Å²	39	47.1 Å²	47.1	24%	0.239	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.1	176.7	-40.3	0	0	0	0	110.2	M1 K97 I98 D99 K178	M1-T3 PolarHBondContact O-N 3.43Å; T3-K97 HydrophobicContact CG2-CB 3.86Å; T3-I98 CarbonylContact C-O 3.5Å; T3-I98 WeakPolarHBondContact CA-O 3.43Å; T3-D99 VanDerWaalsContact CB-OD1 3.28Å; T3-D99 WeakPolarHBondContact CB-OD1 3.38Å; T3-D99 WeakPolarHBondContact CG2-OD1 3.37Å; T3-D99 PolarHBondContact OG1-OD1 3.29Å; T3-K178 WeakPolarHBondContact O-CE 3.2Å; T3-K178 PolarHBondContact O-NZ 2.82Å
4	V	93.1	Very high	89.2	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.2	174.2	-174	0	0	0	0	108.8	V6 I98 V100 L108 L113	V4-V6 HydrophobicContact CG1-CG1 3.9Å; V4-I98 PolarHBondContact N-O 2.89Å; V4-I98 PolarHBondContact O-N 3.43Å; V4-V100 HydrophobicContact CG2-CG2 3.88Å; V4-L108 HydrophobicContact CG2-CD2 4.46Å; V4-L113 HydrophobicContact CB-CD1 4.15Å; V4-L113 HydrophobicContact CG1-CD1 3.96Å
5	S	92.5	Very high	89	Confident	42 Å²	42	44.1 Å²	44.1	29%	0.294	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.6	175.7	-62.8	0	0	0	0	109.2	Y96	S5-Y96 CarbonylContact C-O 3.57Å; S5-Y96 WeakPolarHBondContact CA-O 3.38Å
6	V	92.1	Very high	88.4	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.9	179.7	-63.3	0	0	0	0	111.3	V4 R8 L11 L95 Y96 I98 L110 L113	V4-V6 HydrophobicContact CG1-CG1 3.9Å; V6-R8 PolarHBondContact O-N 2.56Å; V6-L11 HydrophobicContact CG2-CB 4.36Å; V6-L11 HydrophobicContact CG2-CD2 3.91Å; V6-L95 WeakPolarHBondContact O-CA 3.44Å; V6-Y96 PolarHBondContact N-O 2.82Å; V6-Y96 PolarHBondContact O-N 3.16Å; V6-I98 HydrophobicContact CG2-CD1 3.77Å; V6-L110 HydrophobicContact CB-CD1 4.24Å; V6-L110 HydrophobicContact CG1-CB 3.94Å; V6-L110 HydrophobicContact CG1-CD1 4.38Å; V6-L110 HydrophobicContact CG1-CG 4.38Å; V6-L113 HydrophobicContact CG1-CD1 4.17Å
7	K	91.1	Very high	87.4	Confident	66 Å²	66	48.4 Å²	48.4	29%	0.287	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	122.6	171.3	-65.9	178.7	-175.1	173.2	0	108.8	D9 L10 L11 V93 L95 D167	K7-D9 PolarHBondContact O-N 3.26Å; K7-L10 HydrophobicContact CB-CB 4.15Å; K7-L10 HydrophobicContact CB-CD1 4.1Å; K7-L10 HydrophobicContact CB-CG 4.09Å; K7-L10 HydrophobicContact CD-CD1 3.79Å; K7-L10 HydrophobicContact CD-CG 4.38Å; K7-L10 HydrophobicContact CG-CD1 4.46Å; K7-L10 PolarHBondContact O-N 2.78Å; K7-L11 PolarHBondContact O-N 3.07Å; K7-V93 HydrophobicContact CB-CG1 4.3Å; K7-V93 HydrophobicContact CD-CG1 4.26Å; K7-V93 HydrophobicContact CG-CG1 4.03Å; K7-L95 HydrophobicContact CB-CD2 4.33Å; K7-L95 HydrophobicContact CG-CD2 3.67Å; K7-D167 IonicContact NZ-OD1 3.74Å; K7-D167 PolarHBondContact NZ-OD1 3.37Å
8	R	89.6	Confident	85.6	Confident	18 Å²	18	51.5 Å²	51.5	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-52.9	-53.2	-176.6	-179.5	-179.3	69.6	-177.2	1	111.6	V6 L10 L11 F12 Y19 E50 D54 V94 Y96	V6-R8 PolarHBondContact O-N 2.56Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 2.97Å; R8-L11 WeakPolarHBondContact O-CB 3.36Å; R8-L11 PolarHBondContact O-N 2.84Å; R8-F12 HydrophobicContact CG-CD2 3.6Å; R8-F12 HydrophobicContact CG-CE2 3.51Å; R8-F12 VanDerWaalsContact O-CD2 3.28Å; R8-F12 WeakPolarHBondContact O-CD2 2.93Å; R8-F12 PolarHBondContact O-N 3.09Å; R8-Y19 PolarHBondContact NH1-OH 3.16Å; R8-Y19 VanDerWaalsContact NH1-OH 3.08Å; R8-Y19 VanDerWaalsContact NH2-CE1 3.27Å; R8-Y19 PolarHBondContact NH2-OH 3.02Å; R8-E50 IonicContact NH2-OE1 2.7Å; R8-D54 IonicContact NH1-OD1 3.89Å; R8-V94 HydrophobicContact CB-CB 4.17Å; R8-V94 HydrophobicContact CB-CG1 4.17Å; R8-V94 WeakPolarHBondContact CB-O 3.21Å; R8-V94 PolarHBondContact N-O 3.24Å; R8-Y96 HydrophobicContact CB-CE1 4.36Å; R8-Y96 HydrophobicContact CB-CE2 4.33Å; R8-Y96 WeakPolarHBondContact CD-OH 3.33Å; R8-Y96 HydrophobicContact CG-CD2 4.42Å; R8-Y96 HydrophobicContact CG-CE1 4.03Å; R8-Y96 HydrophobicContact CG-CE2 3.75Å
9	D	87.4	Confident	83.8	Confident	78 Å²	78	50.6 Å²	50.6	42%	0.417	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-38.2	-173.7	-56.7	-17.4	0	0	0	111.8	K7 Q13	K7-D9 PolarHBondContact O-N 3.26Å; D9-Q13 VanDerWaalsContact O-CB 3.28Å; D9-Q13 WeakPolarHBondContact O-CB 3.46Å; D9-Q13 PolarHBondContact O-N 3.2Å
10	L	88.1	Confident	81.9	Confident	48 Å²	48	54.3 Å²	54.3	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-67.7	-38.3	174.7	-68.3	-174.5	0	0	0	112.1	K7 R8 Q13 A14 L110 D167	K7-L10 HydrophobicContact CB-CB 4.15Å; K7-L10 HydrophobicContact CB-CD1 4.1Å; K7-L10 HydrophobicContact CB-CG 4.09Å; K7-L10 HydrophobicContact CD-CD1 3.79Å; K7-L10 HydrophobicContact CD-CG 4.38Å; K7-L10 HydrophobicContact CG-CD1 4.46Å; K7-L10 PolarHBondContact O-N 2.78Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 2.97Å; L10-Q13 PolarHBondContact O-N 3.22Å; L10-A14 VanDerWaalsContact O-CB 3.29Å; L10-A14 WeakPolarHBondContact O-CB 3.12Å; L10-A14 PolarHBondContact O-N 2.95Å; L10-L110 HydrophobicContact CB-CD1 3.92Å; L10-D167 HydrophobicContact CD1-CB 3.85Å
11	L	90.5	Very high	80.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-50.4	177.2	179.8	69	0	0	0	110.7	V6 K7 R8 Q13 A14 L15 F57 Y96 I98 A114	V6-L11 HydrophobicContact CG2-CB 4.36Å; V6-L11 HydrophobicContact CG2-CD2 3.91Å; K7-L11 PolarHBondContact O-N 3.07Å; R8-L11 WeakPolarHBondContact O-CB 3.36Å; R8-L11 PolarHBondContact O-N 2.84Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 3Å; L11-A14 WeakPolarHBondContact O-CB 3.37Å; L11-A14 PolarHBondContact O-N 3Å; L11-A14 VanDerWaalsContact O-N 3.12Å; L11-L15 HydrophobicContact CG-CD1 4.2Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.71Å; L11-F57 HydrophobicContact CD2-CD2 4.36Å; L11-F57 HydrophobicContact CD2-CE1 4.02Å; L11-F57 HydrophobicContact CD2-CE2 3.57Å; L11-F57 HydrophobicContact CD2-CZ 3.39Å; L11-Y96 HydrophobicContact CD2-CD2 3.92Å; L11-Y96 HydrophobicContact CD2-CE2 4.39Å; L11-I98 HydrophobicContact CD2-CD1 4.47Å; L11-A114 HydrophobicContact CD1-CB 4.49Å
12	F	89.2	Confident	78.6	Confident	11 Å²	11	49.6 Å²	49.6	5%	0.048	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-45	177.7	-80.6	-76.3	0	0	0	111.1	R8 A14 L15 G16 R17 Y19 A53 F57 Y96	R8-F12 HydrophobicContact CG-CD2 3.6Å; R8-F12 HydrophobicContact CG-CE2 3.51Å; R8-F12 VanDerWaalsContact O-CD2 3.28Å; R8-F12 WeakPolarHBondContact O-CD2 2.93Å; R8-F12 PolarHBondContact O-N 3.09Å; F12-A14 VanDerWaalsContact C-N 3.28Å; F12-A14 PolarHBondContact O-N 3.44Å; F12-L15 CarbonylContact O-C 3.55Å; F12-L15 WeakPolarHBondContact O-CA 3.24Å; F12-L15 WeakPolarHBondContact O-CB 3.21Å; F12-L15 PolarHBondContact O-N 3.36Å; F12-G16 PolarHBondContact O-N 2.83Å; F12-R17 CarbonylContact C-O 2.9Å; F12-R17 WeakPolarHBondContact CB-O 3.47Å; F12-R17 HydrophobicContact CD1-CB 4.15Å; F12-R17 CarbonylContact O-C 3.6Å; F12-R17 PolarHBondContact O-N 3.2Å; F12-Y19 HydrophobicContact CD2-CD2 4.19Å; F12-Y19 HydrophobicContact CE2-CD2 4.12Å; F12-A53 HydrophobicContact CZ-CB 4.39Å; F12-F57 HydrophobicContact CZ-CB 4.14Å; F12-Y96 AromaticContact CE2-CE2 3.8Å; F12-Y96 HydrophobicContact CE2-CE2 3.8Å; F12-Y96 WeakPolarHBondContact CE2-OH 3.39Å; F12-Y96 HydrophobicContact CZ-CE2 4.36Å
13	Q	87.9	Confident	76.2	Confident	137 Å²	137	51.1 Å²	51.1	64%	0.64	29%	0.294	S	S	*	.	H	α-helix	trans	-55.8	-44	174.4	-174.1	-177.7	6	0	0	111.7	D9 L10 L11 L15 G16 R17	D9-Q13 VanDerWaalsContact O-CB 3.28Å; D9-Q13 WeakPolarHBondContact O-CB 3.46Å; D9-Q13 PolarHBondContact O-N 3.2Å; L10-Q13 PolarHBondContact O-N 3.22Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 3Å; Q13-L15 VanDerWaalsContact C-N 3.31Å; Q13-L15 PolarHBondContact O-N 3.41Å; Q13-G16 PolarHBondContact O-N 3.31Å; Q13-G16 VanDerWaalsContact O-N 3.09Å; Q13-R17 PolarHBondContact N-O 3.01Å
14	A	86.9	Confident	73.7	Confident	38 Å²	38	54 Å²	54	31%	0.314	31%	0.307	S	S	.	.	H	α-helix	trans	-66.5	-30.2	177.8	0	0	0	0	0	113.1	L10 L11 F12 G16 L110 A114 Q118	L10-A14 VanDerWaalsContact O-CB 3.29Å; L10-A14 WeakPolarHBondContact O-CB 3.12Å; L10-A14 PolarHBondContact O-N 2.95Å; L11-A14 WeakPolarHBondContact O-CB 3.37Å; L11-A14 PolarHBondContact O-N 3Å; L11-A14 VanDerWaalsContact O-N 3.12Å; F12-A14 VanDerWaalsContact C-N 3.28Å; F12-A14 PolarHBondContact O-N 3.44Å; A14-G16 PolarHBondContact O-N 2.77Å; A14-L110 HydrophobicContact CB-CD2 4.06Å; A14-A114 HydrophobicContact CB-CB 3.8Å; A14-Q118 PolarHBondContact O-NE2 3.22Å
15	L	87	Confident	71.4	Confident	11 Å²	11	56.9 Å²	56.9	6%	0.058	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	0.7	173.4	-65.9	174.4	0	0	0	113.3	L11 F12 Q13 R17 F57 A114 L117 Q118	L11-L15 HydrophobicContact CG-CD1 4.2Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.71Å; F12-L15 CarbonylContact O-C 3.55Å; F12-L15 WeakPolarHBondContact O-CA 3.24Å; F12-L15 WeakPolarHBondContact O-CB 3.21Å; F12-L15 PolarHBondContact O-N 3.36Å; Q13-L15 VanDerWaalsContact C-N 3.31Å; Q13-L15 PolarHBondContact O-N 3.41Å; L15-R17 PolarHBondContact O-N 2.97Å; L15-F57 HydrophobicContact CD1-CE2 4.39Å; L15-A114 HydrophobicContact CD2-CB 4.29Å; L15-L117 HydrophobicContact CD2-CB 4.02Å; L15-L117 HydrophobicContact CD2-CD1 4.38Å; L15-Q118 HydrophobicContact CD2-CG 3.96Å
16	G	78.3	Confident	69.1	Low	70 Å²	70	60.8 Å²	60.8	72%	0.722	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	20.3	-176.3	0	0	0	0	0	113.1	F12 Q13 A14	F12-G16 PolarHBondContact O-N 2.83Å; Q13-G16 PolarHBondContact O-N 3.31Å; Q13-G16 VanDerWaalsContact O-N 3.09Å; A14-G16 PolarHBondContact O-N 2.77Å
17	R	71.6	Confident	66.5	Low	91 Å²	91	66.3 Å²	66.3	34%	0.343	37%	0.368	S	S	.	.			trans	-109.7	127.9	173.6	-64.3	-170.6	-177.4	-149.4	4.9	107.8	F12 Q13 L15 Y19 E56	F12-R17 CarbonylContact C-O 2.9Å; F12-R17 WeakPolarHBondContact CB-O 3.47Å; F12-R17 HydrophobicContact CD1-CB 4.15Å; F12-R17 CarbonylContact O-C 3.6Å; F12-R17 PolarHBondContact O-N 3.2Å; Q13-R17 PolarHBondContact N-O 3.01Å; L15-R17 PolarHBondContact O-N 2.97Å; R17-Y19 PolarHBondContact O-N 2.94Å; R17-E56 IonicContact CZ-OE2 3.95Å; R17-E56 IonicContact NH1-OE2 3.97Å; R17-E56 PolarHBondContact NH1-OE2 3.29Å
18	T	56	Low	64	Low	105 Å²	105	67.7 Å²	67.7	64%	0.644	38%	0.377	S	S	*	.			trans	-83	115.2	166.1	34.3	0	0	0	0	108.7	R20	T18-R20 PolarHBondContact O-N 3.46Å
19	Y	51.2	Low	61.9	Low	34 Å²	34	71.8 Å²	71.8	13%	0.133	40%	0.4	C	S	.	.			trans	-65.7	111	156.8	-170.7	-87.3	0	0	0	106.5	R8 F12 R17 P21 E50 A53	R8-Y19 PolarHBondContact NH1-OH 3.16Å; R8-Y19 VanDerWaalsContact NH1-OH 3.08Å; R8-Y19 VanDerWaalsContact NH2-CE1 3.27Å; R8-Y19 PolarHBondContact NH2-OH 3.02Å; F12-Y19 HydrophobicContact CD2-CD2 4.19Å; F12-Y19 HydrophobicContact CE2-CD2 4.12Å; R17-Y19 PolarHBondContact O-N 2.94Å; Y19-P21 HydrophobicContact CE1-CG 4.45Å; Y19-E50 WeakPolarHBondContact OH-CA 3.23Å; Y19-E50 WeakPolarHBondContact OH-CB 3.29Å; Y19-E50 WeakPolarHBondContact OH-CG 3.45Å; Y19-E50 PolarHBondContact OH-OE1 3.46Å; Y19-A53 HydrophobicContact CD2-CB 3.95Å; Y19-A53 HydrophobicContact CE2-CB 3.66Å
20	R	45.5	Very low	59.7	Low	124 Å²	124	72.5 Å²	72.5	47%	0.468	41%	0.411	S	S	.	.			trans	-108.1	113.4	174.8	-69.2	-166.6	-173.1	-166.9	2.3	107.9	T18 V22 I25	T18-R20 PolarHBondContact O-N 3.46Å; R20-V22 PolarHBondContact O-N 3.16Å; R20-I25 HydrophobicContact CB-CD1 4.23Å; R20-I25 HydrophobicContact CB-CG1 4.19Å
21	P	44.7	Very low	57.5	Low	65 Å²	65	75.4 Å²	75.4	42%	0.422	43%	0.431	S	S	.	.			trans	-54.4	139.6	166.2	-19.6	30.9	0	0	0	108.9	Y19 G23 D24	Y19-P21 HydrophobicContact CE1-CG 4.45Å; P21-G23 PolarHBondContact O-N 3.16Å; P21-D24 PolarHBondContact O-N 3.02Å; P21-D24 VanDerWaalsContact O-N 3.13Å
22	V	44.1	Very low	55	Low	36 Å²	36	82.9 Å²	82.9	22%	0.218	47%	0.466	C	S	.	.	H	α-helix	trans	-51.9	-27	-172.6	-175	0	0	0	0	113.4	R20 D24 I25 L49	R20-V22 PolarHBondContact O-N 3.16Å; V22-D24 VanDerWaalsContact C-N 3.29Å; V22-D24 PolarHBondContact O-N 3.28Å; V22-I25 PolarHBondContact O-N 3.48Å; V22-L49 HydrophobicContact CB-CD1 4.48Å; V22-L49 HydrophobicContact CG1-CD1 4.04Å; V22-L49 HydrophobicContact CG2-CB 3.55Å; V22-L49 HydrophobicContact CG2-CD1 3.64Å; V22-L49 HydrophobicContact CG2-CG 4.21Å
23	G	41.3	Very low	52.5	Low	54 Å²	54	86 Å²	86	56%	0.557	49%	0.493	S	S	*	.	H	α-helix	trans	-59	-31.5	-179.8	0	0	0	0	0	115.1	P21	P21-G23 PolarHBondContact O-N 3.16Å
24	D	39.5	Very low	50	Low	99 Å²	99	86.9 Å²	86.9	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-86.9	-22.7	-176.7	-69.8	-27.6	0	0	0	113.1	P21 V22 N27	P21-D24 PolarHBondContact O-N 3.02Å; P21-D24 VanDerWaalsContact O-N 3.13Å; V22-D24 VanDerWaalsContact C-N 3.29Å; V22-D24 PolarHBondContact O-N 3.28Å; D24-N27 PolarHBondContact O-N 2.75Å
25	I	44.8	Very low	47.5	Very low	62 Å²	62	90.4 Å²	90.4	32%	0.318	53%	0.525	S	S	.	.	H	α-helix	trans	-71.9	-34.1	179.5	-60	177	0	0	0	110.5	R20 V22 N27 M28 L29	R20-I25 HydrophobicContact CB-CD1 4.23Å; R20-I25 HydrophobicContact CB-CG1 4.19Å; V22-I25 PolarHBondContact O-N 3.48Å; I25-N27 PolarHBondContact O-N 3.38Å; I25-M28 PolarHBondContact O-N 3.41Å; I25-L29 HydrophobicContact CG2-CD1 3.83Å; I25-L29 HydrophobicContact CG2-CG 4.13Å; I25-L29 WeakPolarHBondContact O-CG 3.21Å; I25-L29 PolarHBondContact O-N 3.23Å; I25-L29 VanDerWaalsContact O-N 3.15Å
26	L	43.9	Very low	44.8	Very low	125 Å²	125	94.1 Å²	94.1	65%	0.654	55%	0.552	S	S	*	*	H	α-helix	trans	-63.5	-28.5	178.6	-122.9	91.5	0	0	0	113.1
27	N	37.1	Very low	42.5	Very low	120 Å²	120	96.8 Å²	96.8	64%	0.642	56%	0.556	S	S	*	*	H	α-helix	trans	-81.1	-17.6	-179.1	-76.5	-23.7	0	0	0	114	D24 I25 S30	D24-N27 PolarHBondContact O-N 2.75Å; I25-N27 PolarHBondContact O-N 3.38Å; N27-S30 PolarHBondContact O-OG 3.23Å; N27-S30 VanDerWaalsContact O-OG 3.08Å
28	M	38.8	Very low	40.6	Very low	95 Å²	95	103.8 Å²	103.8	47%	0.468	58%	0.583	S	S	.	*	H	α-helix	trans	-99.9	-25.3	175.2	-70.7	-170.3	92.2	0	0	113.3	I25 S30 T31 E32	I25-M28 PolarHBondContact O-N 3.41Å; M28-S30 PolarHBondContact O-N 3.3Å; M28-S30 VanDerWaalsContact O-N 3.13Å; M28-T31 PolarHBondContact O-N 3.24Å; M28-T31 PolarHBondContact O-OG1 3.33Å; M28-E32 PolarHBondContact O-N 3.02Å
29	L	45.1	Very low	39.7	Very low	104 Å²	104	104.2 Å²	104.2	55%	0.545	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.3	-14.3	175	-74.4	172.3	0	0	0	113.1	I25	I25-L29 HydrophobicContact CG2-CD1 3.83Å; I25-L29 HydrophobicContact CG2-CG 4.13Å; I25-L29 WeakPolarHBondContact O-CG 3.21Å; I25-L29 PolarHBondContact O-N 3.23Å; I25-L29 VanDerWaalsContact O-N 3.15Å
30	S	41.7	Very low	38.9	Very low	94 Å²	94	113.9 Å²	113.9	66%	0.657	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-10.2	170.7	53.3	0	0	0	0	114	N27 M28	N27-S30 PolarHBondContact O-OG 3.23Å; N27-S30 VanDerWaalsContact O-OG 3.08Å; M28-S30 PolarHBondContact O-N 3.3Å; M28-S30 VanDerWaalsContact O-N 3.13Å
31	T	42.2	Very low	38.3	Very low	108 Å²	108	115 Å²	115	66%	0.663	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	-19.6	-172.2	25.1	0	0	0	0	116.8	M28	M28-T31 PolarHBondContact O-N 3.24Å; M28-T31 PolarHBondContact O-OG1 3.33Å
32	E	38.9	Very low	38	Very low	158 Å²	158	116.8 Å²	116.8	74%	0.738	64%	0.643	S	S	*	*			trans	-133.7	39.7	-177.2	-70.1	-170.7	152	0	0	115.4	M28 N34	M28-E32 PolarHBondContact O-N 3.02Å; E32-N34 VanDerWaalsContact C-N 3.35Å; E32-N34 PolarHBondContact O-N 2.97Å; E32-N34 VanDerWaalsContact O-N 3.09Å
33	A	35.9	Very low	37.5	Very low	76 Å²	76	124.1 Å²	124.1	63%	0.628	67%	0.672	S	S	*	*			trans	-84	69.4	173.9	0	0	0	0	0	112.5
34	N	36.2	Very low	37.2	Very low	155 Å²	155	127.3 Å²	127.3	83%	0.829	68%	0.681	S	S	*	*	S	Bend	trans	-172.7	93	150.9	-115.4	-10.9	0	0	0	111.8	E32	E32-N34 VanDerWaalsContact C-N 3.35Å; E32-N34 PolarHBondContact O-N 2.97Å; E32-N34 VanDerWaalsContact O-N 3.09Å
35	S	33.9	Very low	36.9	Very low	113 Å²	113	126.4 Å²	126.4	79%	0.79	68%	0.683	S	S	*	*	S	Bend	trans	151.8	66.6	146.1	52	0	0	0	0	113.4
36	S	29.7	Very low	36.4	Very low	89 Å²	89	126.5 Å²	126.5	62%	0.622	70%	0.699	S	S	*	*			trans	-159.5	140.1	154.2	-89.2	0	0	0	0	111.7	W38	S36-W38 PolarHBondContact O-N 2.93Å; S36-W38 VanDerWaalsContact O-N 3.09Å
37	P	30.1	Very low	36.3	Very low	125 Å²	125	124 Å²	124	81%	0.812	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	4.2	-167.6	-10.8	28.2	0	0	0	115.2
38	W	32.4	Very low	36.3	Very low	239 Å²	239	121.2 Å²	121.2	91%	0.905	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	16.1	-168.6	-65.3	108.5	0	0	0	115.1	S36 R40	S36-W38 PolarHBondContact O-N 2.93Å; S36-W38 VanDerWaalsContact O-N 3.09Å; W38-R40 PolarHBondContact O-N 3.29Å
39	I	35.8	Very low	36.6	Very low	114 Å²	114	120.7 Å²	120.7	59%	0.585	68%	0.68	S	S	*	*			trans	-89.9	88.5	179.1	-50.9	177.1	0	0	0	109.6
40	R	35	Very low	36.8	Very low	236 Å²	236	119.4 Å²	119.4	89%	0.891	67%	0.672	S	S	*	*			trans	-83.3	120.9	156.9	-85.1	-173.9	175.8	-174	-0.1	108.2	W38 P42	W38-R40 PolarHBondContact O-N 3.29Å; R40-P42 WeakPolarHBondContact O-CD 3.49Å
41	N	32.4	Very low	37.4	Very low	147 Å²	147	122.5 Å²	122.5	79%	0.786	67%	0.67	S	S	*	*			trans	-54.3	118.8	176.6	-104.9	-11.7	0	0	0	111.1	K43	N41-K43 PolarHBondContact O-N 3.38Å
42	P	39.2	Very low	38.7	Very low	104 Å²	104	121.2 Å²	121.2	68%	0.675	66%	0.659	S	S	*	*			trans	-77.9	114.6	167.6	27.1	-22.5	0	0	0	108.5	R40	R40-P42 WeakPolarHBondContact O-CD 3.49Å
43	K	32.6	Very low	40.6	Very low	189 Å²	189	114.6 Å²	114.6	82%	0.822	63%	0.631	S	S	*	*			trans	-80.7	124.9	165.9	-77	-173.8	176	-179.3	0	109.1	N41	N41-K43 PolarHBondContact O-N 3.38Å
44	T	36.2	Very low	43	Very low	122 Å²	122	112.5 Å²	112.5	75%	0.748	61%	0.61	S	S	*	*	S	Bend	trans	72.6	139.8	149.6	36.9	0	0	0	0	121.4
45	S	32.4	Very low	45.5	Very low	80 Å²	80	110.7 Å²	110.7	56%	0.559	60%	0.596	S	S	*	*			trans	68	118.7	169	56.1	0	0	0	0	118.6	S47 S48	S45-S47 PolarHBondContact O-N 3.36Å; S45-S48 PolarHBondContact O-N 2.98Å; S45-S48 PolarHBondContact O-OG 2.76Å; S45-S48 PolarHBondContact OG-OG 3.02Å
46	G	35.9	Very low	48	Very low	63 Å²	63	109.5 Å²	109.5	65%	0.649	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	10.9	-177.5	0	0	0	0	0	117.1
47	S	40	Very low	50.9	Low	73 Å²	73	105.4 Å²	105.4	51%	0.51	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-9.2	175.6	63.6	0	0	0	0	113.9	S45	S45-S47 PolarHBondContact O-N 3.36Å
48	S	38.8	Very low	53.9	Low	62 Å²	62	103.2 Å²	103.2	43%	0.434	53%	0.53	S	S	.	.	H	α-helix	trans	-86.3	-15.3	-166	-47.9	0	0	0	0	115.1	S45	S45-S48 PolarHBondContact O-N 2.98Å; S45-S48 PolarHBondContact O-OG 2.76Å; S45-S48 PolarHBondContact OG-OG 3.02Å
49	L	43.9	Very low	56.7	Low	84 Å²	84	97.7 Å²	97.7	44%	0.44	52%	0.515	S	S	.	.	H	α-helix	trans	-95.7	-28.9	-177.1	-86.3	136.8	0	0	0	113.5	V22 N52 A53	V22-L49 HydrophobicContact CB-CD1 4.48Å; V22-L49 HydrophobicContact CG1-CD1 4.04Å; V22-L49 HydrophobicContact CG2-CB 3.55Å; V22-L49 HydrophobicContact CG2-CD1 3.64Å; V22-L49 HydrophobicContact CG2-CG 4.21Å; L49-N52 PolarHBondContact O-N 3.4Å; L49-A53 PolarHBondContact O-N 3.38Å
50	E	48.8	Very low	59.4	Low	77 Å²	77	93.3 Å²	93.3	36%	0.36	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-43.8	173	-59.4	-151	115.6	0	0	110.8	R8 Y19 N52 A53 D54	R8-E50 IonicContact NH2-OE1 2.7Å; Y19-E50 WeakPolarHBondContact OH-CA 3.23Å; Y19-E50 WeakPolarHBondContact OH-CB 3.29Å; Y19-E50 WeakPolarHBondContact OH-CG 3.45Å; Y19-E50 PolarHBondContact OH-OE1 3.46Å; E50-N52 PolarHBondContact O-N 2.92Å; E50-A53 PolarHBondContact O-N 2.92Å; E50-D54 PolarHBondContact O-N 3.2Å
51	Y	55	Low	62.2	Low	159 Å²	159	82 Å²	82	62%	0.624	45%	0.45	S	S	*	.	H	α-helix	trans	-54.1	-38.5	174.3	-100.1	-95.2	0	0	0	112.7	E55	Y51-E55 WeakPolarHBondContact O-CB 3.44Å; Y51-E55 VanDerWaalsContact O-CG 3.26Å; Y51-E55 WeakPolarHBondContact O-CG 3.29Å; Y51-E55 PolarHBondContact O-N 2.86Å; Y51-E55 VanDerWaalsContact O-N 3.09Å
52	N	69.7	Low	65.1	Low	81 Å²	81	82.9 Å²	82.9	43%	0.433	45%	0.447	S	S	.	.	H	α-helix	trans	-71.5	-36.6	-177.3	-160.2	-13	0	0	0	112.2	L49 E50 E56	L49-N52 PolarHBondContact O-N 3.4Å; E50-N52 PolarHBondContact O-N 2.92Å; N52-E56 WeakPolarHBondContact O-CB 3.28Å; N52-E56 VanDerWaalsContact O-CG 3.3Å; N52-E56 WeakPolarHBondContact O-CG 3.33Å; N52-E56 PolarHBondContact O-N 3.35Å
53	A	78.8	Confident	67.8	Low	19 Å²	19	82.5 Å²	82.5	16%	0.157	44%	0.436	C	S	.	.	H	α-helix	trans	-73.9	-35.1	179.4	0	0	0	0	0	113	F12 Y19 L49 E50 F57	F12-A53 HydrophobicContact CZ-CB 4.39Å; Y19-A53 HydrophobicContact CD2-CB 3.95Å; Y19-A53 HydrophobicContact CE2-CB 3.66Å; L49-A53 PolarHBondContact O-N 3.38Å; E50-A53 PolarHBondContact O-N 2.92Å; A53-F57 WeakPolarHBondContact O-CB 3.13Å; A53-F57 PolarHBondContact O-N 3.22Å; A53-F57 VanDerWaalsContact O-N 3.09Å
54	D	86.8	Confident	70.7	Confident	32 Å²	32	75.3 Å²	75.3	17%	0.171	41%	0.405	C	S	.	.	H	α-helix	trans	-67.4	-44.8	174.7	-67	-21.2	0	0	0	110.4	R8 E50 F57 D58 I71 Y96	R8-D54 IonicContact NH1-OD1 3.89Å; E50-D54 PolarHBondContact O-N 3.2Å; D54-F57 PolarHBondContact O-N 3.28Å; D54-D58 PolarHBondContact O-N 3.11Å; D54-I71 HydrophobicContact CB-CD1 3.91Å; D54-Y96 PolarHBondContact OD1-OH 3.04Å
55	E	87	Confident	73.5	Confident	117 Å²	117	71.8 Å²	71.8	55%	0.547	39%	0.393	S	S	.	.	H	α-helix	trans	-62.8	-46	174.8	-74.2	172.3	-167.2	0	0	112.5	Y51 F57 D58 E59	Y51-E55 WeakPolarHBondContact O-CB 3.44Å; Y51-E55 VanDerWaalsContact O-CG 3.26Å; Y51-E55 WeakPolarHBondContact O-CG 3.29Å; Y51-E55 PolarHBondContact O-N 2.86Å; Y51-E55 VanDerWaalsContact O-N 3.09Å; E55-F57 PolarHBondContact O-N 3.2Å; E55-D58 PolarHBondContact O-N 3.26Å; E55-E59 PolarHBondContact O-N 3.08Å
56	E	87.4	Confident	76.5	Confident	87 Å²	87	68.5 Å²	68.5	41%	0.407	37%	0.369	S	S	.	.	H	α-helix	trans	-58.6	-36.7	174.9	-83.3	-172.6	-156.9	0	0	112.1	R17 N52 L60	R17-E56 IonicContact CZ-OE2 3.95Å; R17-E56 IonicContact NH1-OE2 3.97Å; R17-E56 PolarHBondContact NH1-OE2 3.29Å; N52-E56 WeakPolarHBondContact O-CB 3.28Å; N52-E56 VanDerWaalsContact O-CG 3.3Å; N52-E56 WeakPolarHBondContact O-CG 3.33Å; N52-E56 PolarHBondContact O-N 3.35Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 PolarHBondContact O-N 3.01Å; E56-L60 VanDerWaalsContact O-N 3.14Å
57	F	90.6	Very high	79.3	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.018	36%	0.361	C	S	.	.	H	α-helix	trans	-75.4	-37.9	179.2	-175.4	-105.9	0	0	0	112	L11 F12 L15 A53 D54 E55 L60 C61 L68 Y96 I98 L117	L11-F57 HydrophobicContact CD2-CD2 4.36Å; L11-F57 HydrophobicContact CD2-CE1 4.02Å; L11-F57 HydrophobicContact CD2-CE2 3.57Å; L11-F57 HydrophobicContact CD2-CZ 3.39Å; F12-F57 HydrophobicContact CZ-CB 4.14Å; L15-F57 HydrophobicContact CD1-CE2 4.39Å; A53-F57 WeakPolarHBondContact O-CB 3.13Å; A53-F57 PolarHBondContact O-N 3.22Å; A53-F57 VanDerWaalsContact O-N 3.09Å; D54-F57 PolarHBondContact O-N 3.28Å; E55-F57 PolarHBondContact O-N 3.2Å; F57-L60 HydrophobicContact CD2-CD2 4.18Å; F57-L60 HydrophobicContact CE2-CD2 4.32Å; F57-L60 WeakPolarHBondContact O-CB 3.05Å; F57-L60 PolarHBondContact O-N 3.47Å; F57-C61 WeakPolarHBondContact CE1-SG 3.44Å; F57-C61 VanDerWaalsContact CZ-SG 3.51Å; F57-C61 PolarHBondContact O-N 3.16Å; F57-C61 PolarHBondContact O-SG 3.07Å; F57-L68 HydrophobicContact CD1-CD1 4.36Å; F57-L68 HydrophobicContact CD1-CD2 4.16Å; F57-L68 HydrophobicContact CE1-CD1 4.19Å; F57-Y96 HydrophobicContact CB-CE2 4.45Å; F57-Y96 AromaticContact CD1-CD2 3.62Å; F57-Y96 HydrophobicContact CD1-CD2 3.62Å; F57-Y96 AromaticContact CD1-CE2 3.45Å; F57-Y96 HydrophobicContact CD1-CE2 3.45Å; F57-Y96 VanDerWaalsContact CD1-CE2 3.45Å; F57-Y96 AromaticContact CE1-CD2 3.55Å; F57-Y96 HydrophobicContact CE1-CD2 3.55Å; F57-Y96 AromaticContact CE1-CE2 3.88Å; F57-Y96 HydrophobicContact CE1-CE2 3.88Å; F57-Y96 HydrophobicContact CE1-CG 4.42Å; F57-Y96 HydrophobicContact CG-CD2 4.45Å; F57-Y96 AromaticContact CG-CE2 3.94Å; F57-Y96 HydrophobicContact CG-CE2 3.94Å; F57-Y96 HydrophobicContact CZ-CD2 4.35Å; F57-I98 HydrophobicContact CE1-CD1 3.81Å; F57-I98 HydrophobicContact CE1-CG1 4.25Å; F57-I98 HydrophobicContact CZ-CD1 3.72Å; F57-L117 HydrophobicContact CE2-CD1 4.03Å
58	D	92.6	Very high	81.9	Confident	78 Å²	78	68.1 Å²	68.1	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-44.6	174.1	-171.3	38.2	0	0	0	111.6	D54 E55 L60 C61 F62 L68	D54-D58 PolarHBondContact O-N 3.11Å; E55-D58 PolarHBondContact O-N 3.26Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 3.17Å; D58-C61 WeakPolarHBondContact O-CB 3.49Å; D58-C61 PolarHBondContact O-N 2.99Å; D58-C61 VanDerWaalsContact O-N 3.13Å; D58-F62 PolarHBondContact O-N 3.02Å; D58-L68 HydrophobicContact CB-CD2 4.14Å; D58-L68 WeakPolarHBondContact OD1-CB 3.19Å
59	E	91.8	Very high	84.5	Confident	124 Å²	124	69.6 Å²	69.6	58%	0.579	35%	0.346	S	S	*	.	H	α-helix	trans	-60.2	-41.8	174.1	-172.7	174.9	-157.5	0	0	111.7	E55 C61 F62 E63	E55-E59 PolarHBondContact O-N 3.08Å; E59-C61 VanDerWaalsContact C-N 3.35Å; E59-C61 PolarHBondContact O-N 3.32Å; E59-F62 PolarHBondContact O-N 3.45Å; E59-E63 WeakPolarHBondContact O-CG 3.31Å; E59-E63 PolarHBondContact O-N 3.38Å
60	L	91.7	Very high	86.8	Confident	21 Å²	21	68.3 Å²	68.3	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-41.6	174.5	174.6	64.8	0	0	0	112.4	E56 F57 D58 F64 L117 K121	E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 PolarHBondContact O-N 3.01Å; E56-L60 VanDerWaalsContact O-N 3.14Å; F57-L60 HydrophobicContact CD2-CD2 4.18Å; F57-L60 HydrophobicContact CE2-CD2 4.32Å; F57-L60 WeakPolarHBondContact O-CB 3.05Å; F57-L60 PolarHBondContact O-N 3.47Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 3.17Å; L60-F64 WeakPolarHBondContact O-CB 3.33Å; L60-F64 PolarHBondContact O-N 3.42Å; L60-L117 HydrophobicContact CD1-CD2 4.32Å; L60-L117 HydrophobicContact CD2-CD1 4.21Å; L60-L117 HydrophobicContact CD2-CD2 4.36Å; L60-L117 HydrophobicContact CG-CD2 4.08Å; L60-K121 HydrophobicContact CD1-CD 4.14Å; L60-K121 HydrophobicContact CD1-CG 3.93Å
61	C	94.1	Very high	88.8	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-50.2	175.1	-79.3	0	0	0	0	110.2	F57 D58 E59 E63 F64 G65 L66	F57-C61 WeakPolarHBondContact CE1-SG 3.44Å; F57-C61 VanDerWaalsContact CZ-SG 3.51Å; F57-C61 PolarHBondContact O-N 3.16Å; F57-C61 PolarHBondContact O-SG 3.07Å; D58-C61 WeakPolarHBondContact O-CB 3.49Å; D58-C61 PolarHBondContact O-N 2.99Å; D58-C61 VanDerWaalsContact O-N 3.13Å; E59-C61 VanDerWaalsContact C-N 3.35Å; E59-C61 PolarHBondContact O-N 3.32Å; C61-E63 PolarHBondContact O-N 3.19Å; C61-F64 CarbonylContact O-C 3.54Å; C61-F64 PolarHBondContact O-N 3.43Å; C61-F64 VanDerWaalsContact O-N 3.11Å; C61-G65 PolarHBondContact O-N 3.28Å; C61-L66 CarbonylContact C-O 3.21Å; C61-L66 HydrophobicContact CB-CB 3.92Å; C61-L66 PolarHBondContact O-N 3.45Å; C61-L66 VanDerWaalsContact O-O 3.12Å
62	F	94	Very high	90.4	Very high	164 Å²	164	60.7 Å²	60.7	72%	0.719	31%	0.31	S	S	*	.	H	α-helix	trans	-57.9	-48.2	-179.6	-177.3	-100.2	0	0	0	112.3	D58 E59 F64 G65 L66	D58-F62 PolarHBondContact O-N 3.02Å; E59-F62 PolarHBondContact O-N 3.45Å; F62-F64 VanDerWaalsContact C-N 3.25Å; F62-F64 PolarHBondContact O-N 3.08Å; F62-G65 PolarHBondContact O-N 3.4Å; F62-G65 VanDerWaalsContact O-N 3.07Å; F62-L66 PolarHBondContact N-O 2.92Å
63	E	94.8	Very high	91.3	Very high	97 Å²	97	57.2 Å²	57.2	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-32.9	177.7	-73.9	-176.6	163.5	0	0	113.4	E59 C61 F120 K121	E59-E63 WeakPolarHBondContact O-CG 3.31Å; E59-E63 PolarHBondContact O-N 3.38Å; C61-E63 PolarHBondContact O-N 3.19Å; E63-F120 HydrophobicContact CB-CE1 4.16Å; E63-F120 HydrophobicContact CB-CZ 4.39Å; E63-F120 WeakPolarHBondContact O-CZ 3.45Å; E63-K121 IonicContact OE2-NZ 2.53Å; E63-K121 PolarHBondContact OE2-NZ 2.87Å
64	F	94.8	Very high	91.3	Very high	37 Å²	37	60 Å²	60	16%	0.162	30%	0.302	C	S	.	.	H	α-helix	trans	-84.1	-12.2	178.3	-170.3	-120.8	0	0	0	113.1	L60 C61 F62 L66 L107 L117 F120	L60-F64 WeakPolarHBondContact O-CB 3.33Å; L60-F64 PolarHBondContact O-N 3.42Å; C61-F64 CarbonylContact O-C 3.54Å; C61-F64 PolarHBondContact O-N 3.43Å; C61-F64 VanDerWaalsContact O-N 3.11Å; F62-F64 VanDerWaalsContact C-N 3.25Å; F62-F64 PolarHBondContact O-N 3.08Å; F64-L66 HydrophobicContact CD1-CD1 3.61Å; F64-L66 HydrophobicContact CD1-CD2 4.41Å; F64-L66 HydrophobicContact CD1-CG 3.69Å; F64-L66 HydrophobicContact CE1-CD1 4.13Å; F64-L66 HydrophobicContact CE1-CG 4.37Å; F64-L107 HydrophobicContact CE1-CD1 3.71Å; F64-L107 HydrophobicContact CE1-CD2 4.11Å; F64-L107 HydrophobicContact CZ-CD1 4.34Å; F64-L107 HydrophobicContact CZ-CD2 4.42Å; F64-L117 HydrophobicContact CB-CD2 3.89Å; F64-L117 HydrophobicContact CD1-CD2 3.55Å; F64-L117 HydrophobicContact CD1-CG 4.5Å; F64-L117 HydrophobicContact CD2-CD2 4.46Å; F64-L117 HydrophobicContact CE1-CD2 4.17Å; F64-L117 HydrophobicContact CG-CD2 3.73Å; F64-F120 HydrophobicContact CB-CD1 4.23Å; F64-F120 HydrophobicContact CB-CE1 4.21Å; F64-F120 HydrophobicContact CD2-CB 3.67Å; F64-F120 AromaticContact CD2-CD1 3.74Å; F64-F120 HydrophobicContact CD2-CD1 3.74Å; F64-F120 AromaticContact CD2-CD2 3.72Å; F64-F120 HydrophobicContact CD2-CD2 3.72Å; F64-F120 HydrophobicContact CD2-CE1 4.27Å; F64-F120 HydrophobicContact CD2-CE2 4.25Å; F64-F120 AromaticContact CD2-CG 3.43Å; F64-F120 HydrophobicContact CD2-CG 3.43Å; F64-F120 VanDerWaalsContact CD2-CG 3.43Å; F64-F120 HydrophobicContact CD2-CZ 4.5Å; F64-F120 HydrophobicContact CE2-CB 3.68Å; F64-F120 HydrophobicContact CE2-CD2 4.15Å; F64-F120 AromaticContact CE2-CG 3.92Å; F64-F120 HydrophobicContact CE2-CG 3.92Å; F64-F120 HydrophobicContact CG-CD1 4.37Å; F64-F120 HydrophobicContact CG-CG 4.45Å
65	G	94.3	Very high	91.1	Very high	49 Å²	49	62.2 Å²	62.2	51%	0.505	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	31.5	-175.7	0	0	0	0	0	114.1	C61 F62	C61-G65 PolarHBondContact O-N 3.28Å; F62-G65 PolarHBondContact O-N 3.4Å; F62-G65 VanDerWaalsContact O-N 3.07Å
66	L	95.8	Very high	90.8	Very high	10 Å²	10	61.9 Å²	61.9	5%	0.052	31%	0.308	C	S	.	.			trans	-109.6	165.9	168.9	-57.8	179.9	0	0	0	110	C61 F62 F64 I98 V100 L107 L113 L117	C61-L66 CarbonylContact C-O 3.21Å; C61-L66 HydrophobicContact CB-CB 3.92Å; C61-L66 PolarHBondContact O-N 3.45Å; C61-L66 VanDerWaalsContact O-O 3.12Å; F62-L66 PolarHBondContact N-O 2.92Å; F64-L66 HydrophobicContact CD1-CD1 3.61Å; F64-L66 HydrophobicContact CD1-CD2 4.41Å; F64-L66 HydrophobicContact CD1-CG 3.69Å; F64-L66 HydrophobicContact CE1-CD1 4.13Å; F64-L66 HydrophobicContact CE1-CG 4.37Å; L66-I98 HydrophobicContact CB-CG2 4.05Å; L66-I98 HydrophobicContact CD1-CG2 4.09Å; L66-V100 HydrophobicContact CD2-CB 4.39Å; L66-V100 HydrophobicContact CD2-CG1 4.3Å; L66-V100 HydrophobicContact CD2-CG2 4.21Å; L66-L107 HydrophobicContact CD2-CD1 4.06Å; L66-L113 HydrophobicContact CD1-CD2 3.62Å; L66-L117 HydrophobicContact CD1-CD2 4.49Å
67	E	95.1	Very high	90.3	Very high	103 Å²	103	59.7 Å²	59.7	48%	0.481	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.2	177.2	-175.8	173.6	-174.2	0	0	109.7	D69 I98 D99	E67-D69 PolarHBondContact O-N 3.45Å; E67-I98 CarbonylContact O-C 3.53Å; E67-I98 WeakPolarHBondContact O-CA 3.29Å; E67-D99 HydrophobicContact CB-CB 4.19Å; E67-D99 PolarHBondContact N-O 3.08Å; E67-D99 PolarHBondContact O-N 3.49Å
68	L	94.6	Very high	89.6	Confident	26 Å²	26	61.6 Å²	61.6	14%	0.136	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	97.5	170.4	-177.9	63.4	0	0	0	108.5	F57 D58 I71 Y96 I98	F57-L68 HydrophobicContact CD1-CD1 4.36Å; F57-L68 HydrophobicContact CD1-CD2 4.16Å; F57-L68 HydrophobicContact CE1-CD1 4.19Å; D58-L68 HydrophobicContact CB-CD2 4.14Å; D58-L68 WeakPolarHBondContact OD1-CB 3.19Å; L68-I71 HydrophobicContact CD2-CD1 4.1Å; L68-I71 HydrophobicContact CD2-CG1 4.13Å; L68-I71 HydrophobicContact CG-CG1 4.44Å; L68-Y96 HydrophobicContact CD1-CD1 4.11Å; L68-Y96 HydrophobicContact CD1-CD2 4.38Å; L68-Y96 HydrophobicContact CD1-CG 3.85Å; L68-I98 HydrophobicContact CD1-CG1 4.13Å
69	D	93.8	Very high	89	Confident	93 Å²	93	59.1 Å²	59.1	50%	0.497	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-50.4	-172.6	177.3	56.2	0	0	0	112.5	E67 K97	E67-D69 PolarHBondContact O-N 3.45Å; D69-K97 HydrophobicContact CB-CB 4.45Å; D69-K97 PolarHBondContact N-O 3.22Å
70	E	91.8	Very high	88.3	Confident	57 Å²	57	61 Å²	61	27%	0.266	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.8	-176.9	-169.2	-178	-159.1	0	0	111.1	K80 K97	E70-K80 IonicContact OE1-NZ 3.79Å; E70-K97 HydrophobicContact CB-CB 4.24Å; E70-K97 HydrophobicContact CB-CD 4.16Å; E70-K97 HydrophobicContact CB-CG 4.47Å; E70-K97 PolarHBondContact N-O 3.49Å; E70-K97 PolarHBondContact O-N 3.35Å; E70-K97 IonicContact OE2-NZ 2.77Å; E70-K97 PolarHBondContact OE2-NZ 2.86Å
71	I	91.3	Very high	87.6	Confident	69 Å²	69	67 Å²	67	35%	0.354	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.5	165.3	-53.9	177.3	0	0	0	107.2	D54 L68 V94 Y96	D54-I71 HydrophobicContact CB-CD1 3.91Å; L68-I71 HydrophobicContact CD2-CD1 4.1Å; L68-I71 HydrophobicContact CD2-CG1 4.13Å; L68-I71 HydrophobicContact CG-CG1 4.44Å; I71-V94 HydrophobicContact CG2-CG1 3.54Å; I71-Y96 HydrophobicContact CB-CD1 4.35Å; I71-Y96 HydrophobicContact CB-CE1 4.47Å; I71-Y96 HydrophobicContact CD1-CD1 4.36Å; I71-Y96 HydrophobicContact CD1-CE1 3.86Å; I71-Y96 HydrophobicContact CG1-CD1 3.81Å; I71-Y96 HydrophobicContact CG1-CE1 3.83Å; I71-Y96 HydrophobicContact CG2-CD1 4.03Å; I71-Y96 HydrophobicContact CG2-CE1 3.94Å
72	T	88.9	Confident	86.6	Confident	7 Å²	7	72.2 Å²	72.2	4%	0.043	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	-174.6	-175.2	-166.3	0	0	0	0	111.5	Q76 I77 V94 L95	T72-Q76 PolarHBondContact OG1-OE1 3.44Å; T72-I77 HydrophobicContact CG2-CD1 3.73Å; T72-I77 HydrophobicContact CG2-CG1 3.83Å; T72-V94 CarbonylContact O-C 3.57Å; T72-V94 WeakPolarHBondContact O-CA 3.42Å; T72-L95 HydrophobicContact CG2-CB 4.27Å; T72-L95 PolarHBondContact N-O 3.22Å; T72-L95 PolarHBondContact O-N 3.13Å
73	S	88	Confident	85.5	Confident	7 Å²	7	66 Å²	66	5%	0.049	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161	170.3	71	0	0	0	0	110.5	K75 Q76 I77 V93	S73-K75 PolarHBondContact O-N 2.83Å; S73-Q76 PolarHBondContact O-N 3.47Å; S73-Q76 WeakPolarHBondContact OG-CG 3.5Å; S73-Q76 PolarHBondContact OG-N 3.26Å; S73-I77 WeakPolarHBondContact O-CG1 3.47Å; S73-I77 PolarHBondContact O-N 3.42Å; S73-V93 VanDerWaalsContact CA-O 3.3Å; S73-V93 WeakPolarHBondContact CA-O 3.43Å; S73-V93 WeakPolarHBondContact CB-O 3.41Å
74	E	78.2	Confident	84	Confident	78 Å²	78	69 Å²	69	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-54.6	-40.8	176.4	-67.9	-179.3	177.8	0	0	111.4	I77 I78 S91 L95	E74-I77 PolarHBondContact O-N 2.79Å; E74-I78 WeakPolarHBondContact O-CB 3.48Å; E74-I78 WeakPolarHBondContact O-CG1 3.42Å; E74-I78 PolarHBondContact O-N 3.16Å; E74-S91 WeakPolarHBondContact OE2-CB 3.14Å; E74-L95 HydrophobicContact CG-CD1 4.04Å
75	K	82	Confident	82.5	Confident	79 Å²	79	70.2 Å²	70.2	34%	0.343	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-42	176	-169.6	-170.3	-169	178.5	0	112.8	S73 S79 A87 A90 S91 D92	S73-K75 PolarHBondContact O-N 2.83Å; K75-S79 WeakPolarHBondContact O-CB 3.23Å; K75-S79 PolarHBondContact O-N 3.28Å; K75-A87 HydrophobicContact CG-CB 3.99Å; K75-A90 HydrophobicContact CB-CB 3.92Å; K75-A90 HydrophobicContact CG-CB 4.23Å; K75-S91 WeakPolarHBondContact CB-O 3.27Å; K75-S91 PolarHBondContact N-O 2.93Å; K75-D92 VanDerWaalsContact CD-CG 3.48Å; K75-D92 WeakPolarHBondContact CD-OD1 3.5Å; K75-D92 IonicContact NZ-OD1 3.28Å; K75-D92 PolarHBondContact NZ-OD1 2.96Å; K75-D92 IonicContact NZ-OD2 2.75Å; K75-D92 PolarHBondContact NZ-OD2 3.3Å
76	Q	80.6	Confident	81	Confident	109 Å²	109	74.8 Å²	74.8	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-66.8	-40.9	177	-75.6	178.7	-24.1	0	0	111.8	T72 S73 S79 K80	T72-Q76 PolarHBondContact OG1-OE1 3.44Å; S73-Q76 PolarHBondContact O-N 3.47Å; S73-Q76 WeakPolarHBondContact OG-CG 3.5Å; S73-Q76 PolarHBondContact OG-N 3.26Å; Q76-S79 PolarHBondContact O-N 3.09Å; Q76-K80 VanDerWaalsContact O-CB 3.29Å; Q76-K80 WeakPolarHBondContact O-CB 3.45Å; Q76-K80 PolarHBondContact O-N 2.88Å
77	I	78.3	Confident	79.4	Confident	41 Å²	41	74.6 Å²	74.6	21%	0.21	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-53.2	175.7	-64.3	165.6	0	0	0	110	T72 S73 E74 S79 K80 E81 L95	T72-I77 HydrophobicContact CG2-CD1 3.73Å; T72-I77 HydrophobicContact CG2-CG1 3.83Å; S73-I77 WeakPolarHBondContact O-CG1 3.47Å; S73-I77 PolarHBondContact O-N 3.42Å; E74-I77 PolarHBondContact O-N 2.79Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.39Å; I77-K80 PolarHBondContact O-N 3.43Å; I77-K80 VanDerWaalsContact O-N 3.14Å; I77-E81 HydrophobicContact CG2-CG 4.49Å; I77-E81 PolarHBondContact O-N 3.36Å; I77-L95 HydrophobicContact CD1-CD1 4.06Å
78	I	75.1	Confident	77.6	Confident	45 Å²	45	78.3 Å²	78.3	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-39.7	-178.8	-69	165.4	0	0	0	111.1	E74 K80 E81 Q82 G83 K86 A87 A90	E74-I78 WeakPolarHBondContact O-CB 3.48Å; E74-I78 WeakPolarHBondContact O-CG1 3.42Å; E74-I78 PolarHBondContact O-N 3.16Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 2.96Å; I78-E81 PolarHBondContact O-N 3.2Å; I78-Q82 HydrophobicContact CG2-CB 4.45Å; I78-Q82 WeakPolarHBondContact O-CA 3.17Å; I78-Q82 WeakPolarHBondContact O-CB 3.16Å; I78-Q82 PolarHBondContact O-N 3.02Å; I78-G83 PolarHBondContact O-N 2.83Å; I78-K86 HydrophobicContact CG2-CB 4.17Å; I78-K86 WeakPolarHBondContact CG2-O 3.18Å; I78-A87 HydrophobicContact CG2-CB 4.32Å; I78-A90 HydrophobicContact CD1-CB 3.62Å
79	S	80.1	Confident	76.1	Confident	26 Å²	26	81 Å²	81	18%	0.182	43%	0.432	C	S	.	.	H	α-helix	trans	-62.7	-37.4	176.7	-173.9	0	0	0	0	112.4	K75 Q76 I77 G83 H84	K75-S79 WeakPolarHBondContact O-CB 3.23Å; K75-S79 PolarHBondContact O-N 3.28Å; Q76-S79 PolarHBondContact O-N 3.09Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.39Å; S79-G83 WeakPolarHBondContact O-CA 3.3Å; S79-G83 PolarHBondContact O-N 2.53Å; S79-H84 PolarHBondContact OG-CE1 2.7Å; S79-H84 PolarHBondContact OG-ND1 3.4Å
80	K	77.1	Confident	75	Confident	164 Å²	164	77.6 Å²	77.6	71%	0.713	42%	0.417	S	S	*	.	H	α-helix	trans	-76.8	-37.4	-179.2	-169.1	177.6	-178.3	-179.5	0	112.1	E70 Q76 I77 I78	E70-K80 IonicContact OE1-NZ 3.79Å; Q76-K80 VanDerWaalsContact O-CB 3.29Å; Q76-K80 WeakPolarHBondContact O-CB 3.45Å; Q76-K80 PolarHBondContact O-N 2.88Å; I77-K80 PolarHBondContact O-N 3.43Å; I77-K80 VanDerWaalsContact O-N 3.14Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 2.96Å
81	E	77.8	Confident	74.3	Confident	145 Å²	145	77 Å²	77	68%	0.678	42%	0.419	S	S	*	.	H	α-helix	trans	-90.3	-35.1	-175.7	-68	-176.2	172.9	0	0	114.2	I77 I78	I77-E81 HydrophobicContact CG2-CG 4.49Å; I77-E81 PolarHBondContact O-N 3.36Å; I78-E81 PolarHBondContact O-N 3.2Å
82	Q	73.2	Confident	73.8	Confident	110 Å²	110	78.5 Å²	78.5	51%	0.514	43%	0.428	S	S	.	.	H	α-helix	trans	-124.5	2.2	-168.1	-53.2	-174.4	24.2	0	0	113.8	I78 K86	I78-Q82 HydrophobicContact CG2-CB 4.45Å; I78-Q82 WeakPolarHBondContact O-CA 3.17Å; I78-Q82 WeakPolarHBondContact O-CB 3.16Å; I78-Q82 PolarHBondContact O-N 3.02Å; Q82-K86 HydrophobicContact CB-CB 4.36Å; Q82-K86 HydrophobicContact CB-CD 4.11Å
83	G	71.2	Confident	73.5	Confident	33 Å²	33	80.4 Å²	80.4	34%	0.34	44%	0.439	S	S	.	.			trans	85.4	154.4	178.3	0	0	0	0	0	114.3	I78 S79 G85 K86	I78-G83 PolarHBondContact O-N 2.83Å; S79-G83 WeakPolarHBondContact O-CA 3.3Å; S79-G83 PolarHBondContact O-N 2.53Å; G83-G85 PolarHBondContact O-N 3.32Å; G83-K86 PolarHBondContact O-N 2.96Å; G83-K86 VanDerWaalsContact O-N 3.15Å
84	H	63.4	Low	73.5	Confident	160 Å²	160	81.8 Å²	81.8	74%	0.741	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-54.1	-31.8	-172.6	-70.8	-67	0	0	0	114.8	S79 K86 A87	S79-H84 PolarHBondContact OG-CE1 2.7Å; S79-H84 PolarHBondContact OG-ND1 3.4Å; H84-K86 VanDerWaalsContact C-N 3.32Å; H84-K86 PolarHBondContact O-N 3.39Å; H84-A87 PolarHBondContact O-N 3.24Å
85	G	62.7	Low	74.1	Confident	63 Å²	63	78.8 Å²	78.8	65%	0.649	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-67.3	-26.8	-177.8	0	0	0	0	0	114.5	G83	G83-G85 PolarHBondContact O-N 3.32Å
86	K	62.1	Low	74.7	Confident	145 Å²	145	75 Å²	75	63%	0.63	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-90.7	-8	176.9	-76.3	-169.2	174.7	-176.6	0	113.9	I78 Q82 G83 H84 Q88	I78-K86 HydrophobicContact CG2-CB 4.17Å; I78-K86 WeakPolarHBondContact CG2-O 3.18Å; Q82-K86 HydrophobicContact CB-CB 4.36Å; Q82-K86 HydrophobicContact CB-CD 4.11Å; G83-K86 PolarHBondContact O-N 2.96Å; G83-K86 VanDerWaalsContact O-N 3.15Å; H84-K86 VanDerWaalsContact C-N 3.32Å; H84-K86 PolarHBondContact O-N 3.39Å; K86-Q88 VanDerWaalsContact C-N 3.3Å
87	A	62.3	Low	75.4	Confident	7 Å²	7	72 Å²	72	6%	0.058	40%	0.403	C	S	.	.			trans	-80.7	-10.4	176.2	0	0	0	0	0	112.9	K75 I78 H84 G89 A90	K75-A87 HydrophobicContact CG-CB 3.99Å; I78-A87 HydrophobicContact CG2-CB 4.32Å; H84-A87 PolarHBondContact O-N 3.24Å; A87-G89 PolarHBondContact O-N 3.38Å; A87-A90 PolarHBondContact O-N 3.17Å; A87-A90 VanDerWaalsContact O-N 3.14Å
88	Q	56.8	Low	76.2	Confident	180 Å²	180	70.1 Å²	70.1	84%	0.841	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	100.4	172.9	-86.4	-179.1	-17.7	0	0	110	K86	K86-Q88 VanDerWaalsContact C-N 3.3Å
89	G	64.1	Low	77.2	Confident	84 Å²	84	68.8 Å²	68.8	87%	0.866	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.7	-6.9	-178.4	0	0	0	0	0	114.4	A87	A87-G89 PolarHBondContact O-N 3.38Å
90	A	69.9	Low	77.9	Confident	20 Å²	20	67.6 Å²	67.6	17%	0.165	38%	0.377	C	S	.	.			trans	-76.5	149.4	172.6	0	0	0	0	0	111.5	K75 I78 A87	K75-A90 HydrophobicContact CB-CB 3.92Å; K75-A90 HydrophobicContact CG-CB 4.23Å; I78-A90 HydrophobicContact CD1-CB 3.62Å; A87-A90 PolarHBondContact O-N 3.17Å; A87-A90 VanDerWaalsContact O-N 3.14Å
91	S	76.6	Confident	78.6	Confident	45 Å²	45	61.8 Å²	61.8	32%	0.315	36%	0.357	S	S	.	.			trans	-72.6	135.6	-177.1	-165.8	0	0	0	0	112.1	E74 K75 V93	E74-S91 WeakPolarHBondContact OE2-CB 3.14Å; K75-S91 WeakPolarHBondContact CB-O 3.27Å; K75-S91 PolarHBondContact N-O 2.93Å; S91-V93 PolarHBondContact O-N 3.47Å; S91-V93 WeakPolarHBondContact OG-CG2 3.41Å; S91-V93 PolarHBondContact OG-N 3.45Å
92	D	80.7	Confident	79.2	Confident	101 Å²	101	57.4 Å²	57.4	54%	0.54	35%	0.345	S	S	.	.			trans	-82	10.2	170.8	-84.4	-51.5	0	0	0	112.5	K75 V94	K75-D92 VanDerWaalsContact CD-CG 3.48Å; K75-D92 WeakPolarHBondContact CD-OD1 3.5Å; K75-D92 IonicContact NZ-OD1 3.28Å; K75-D92 PolarHBondContact NZ-OD1 2.96Å; K75-D92 IonicContact NZ-OD2 2.75Å; K75-D92 PolarHBondContact NZ-OD2 3.3Å; D92-V94 PolarHBondContact O-N 2.91Å
93	V	83.4	Confident	80.1	Confident	47 Å²	47	57.9 Å²	57.9	29%	0.285	35%	0.351	S	S	.	.			trans	-61.7	128.8	178.1	170.7	0	0	0	0	110.6	K7 S73 S91 L95	K7-V93 HydrophobicContact CB-CG1 4.3Å; K7-V93 HydrophobicContact CD-CG1 4.26Å; K7-V93 HydrophobicContact CG-CG1 4.03Å; S73-V93 VanDerWaalsContact CA-O 3.3Å; S73-V93 WeakPolarHBondContact CA-O 3.43Å; S73-V93 WeakPolarHBondContact CB-O 3.41Å; S91-V93 PolarHBondContact O-N 3.47Å; S91-V93 WeakPolarHBondContact OG-CG2 3.41Å; S91-V93 PolarHBondContact OG-N 3.45Å; V93-L95 HydrophobicContact CG1-CD2 4.49Å
94	V	88.6	Confident	81.2	Confident	35 Å²	35	60 Å²	60	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.8	179.2	-176.1	0	0	0	0	110.4	R8 I71 T72 D92 Y96	R8-V94 HydrophobicContact CB-CB 4.17Å; R8-V94 HydrophobicContact CB-CG1 4.17Å; R8-V94 WeakPolarHBondContact CB-O 3.21Å; R8-V94 PolarHBondContact N-O 3.24Å; I71-V94 HydrophobicContact CG2-CG1 3.54Å; T72-V94 CarbonylContact O-C 3.57Å; T72-V94 WeakPolarHBondContact O-CA 3.42Å; D92-V94 PolarHBondContact O-N 2.91Å; V94-Y96 HydrophobicContact CG1-CE1 4.45Å
95	L	90.8	Very high	82.6	Confident	16 Å²	16	56.9 Å²	56.9	8%	0.084	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.2	179.2	-58.5	-179.9	0	0	0	109.3	V6 K7 T72 E74 I77 V93	V6-L95 WeakPolarHBondContact O-CA 3.44Å; K7-L95 HydrophobicContact CB-CD2 4.33Å; K7-L95 HydrophobicContact CG-CD2 3.67Å; T72-L95 HydrophobicContact CG2-CB 4.27Å; T72-L95 PolarHBondContact N-O 3.22Å; T72-L95 PolarHBondContact O-N 3.13Å; E74-L95 HydrophobicContact CG-CD1 4.04Å; I77-L95 HydrophobicContact CD1-CD1 4.06Å; V93-L95 HydrophobicContact CG1-CD2 4.49Å
96	Y	94.1	Very high	84.2	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.9	166.3	-68.4	-20.2	0	0	0	109.6	S5 V6 R8 L11 F12 D54 F57 L68 I71 V94	S5-Y96 CarbonylContact C-O 3.57Å; S5-Y96 WeakPolarHBondContact CA-O 3.38Å; V6-Y96 PolarHBondContact N-O 2.82Å; V6-Y96 PolarHBondContact O-N 3.16Å; R8-Y96 HydrophobicContact CB-CE1 4.36Å; R8-Y96 HydrophobicContact CB-CE2 4.33Å; R8-Y96 WeakPolarHBondContact CD-OH 3.33Å; R8-Y96 HydrophobicContact CG-CD2 4.42Å; R8-Y96 HydrophobicContact CG-CE1 4.03Å; R8-Y96 HydrophobicContact CG-CE2 3.75Å; L11-Y96 HydrophobicContact CD2-CD2 3.92Å; L11-Y96 HydrophobicContact CD2-CE2 4.39Å; F12-Y96 AromaticContact CE2-CE2 3.8Å; F12-Y96 HydrophobicContact CE2-CE2 3.8Å; F12-Y96 WeakPolarHBondContact CE2-OH 3.39Å; F12-Y96 HydrophobicContact CZ-CE2 4.36Å; D54-Y96 PolarHBondContact OD1-OH 3.04Å; F57-Y96 HydrophobicContact CB-CE2 4.45Å; F57-Y96 AromaticContact CD1-CD2 3.62Å; F57-Y96 HydrophobicContact CD1-CD2 3.62Å; F57-Y96 AromaticContact CD1-CE2 3.45Å; F57-Y96 HydrophobicContact CD1-CE2 3.45Å; F57-Y96 VanDerWaalsContact CD1-CE2 3.45Å; F57-Y96 AromaticContact CE1-CD2 3.55Å; F57-Y96 HydrophobicContact CE1-CD2 3.55Å; F57-Y96 AromaticContact CE1-CE2 3.88Å; F57-Y96 HydrophobicContact CE1-CE2 3.88Å; F57-Y96 HydrophobicContact CE1-CG 4.42Å; F57-Y96 HydrophobicContact CG-CD2 4.45Å; F57-Y96 AromaticContact CG-CE2 3.94Å; F57-Y96 HydrophobicContact CG-CE2 3.94Å; F57-Y96 HydrophobicContact CZ-CD2 4.35Å; L68-Y96 HydrophobicContact CD1-CD1 4.11Å; L68-Y96 HydrophobicContact CD1-CD2 4.38Å; L68-Y96 HydrophobicContact CD1-CG 3.85Å; I71-Y96 HydrophobicContact CB-CD1 4.35Å; I71-Y96 HydrophobicContact CB-CE1 4.47Å; I71-Y96 HydrophobicContact CD1-CD1 4.36Å; I71-Y96 HydrophobicContact CD1-CE1 3.86Å; I71-Y96 HydrophobicContact CG1-CD1 3.81Å; I71-Y96 HydrophobicContact CG1-CE1 3.83Å; I71-Y96 HydrophobicContact CG2-CD1 4.03Å; I71-Y96 HydrophobicContact CG2-CE1 3.94Å; V94-Y96 HydrophobicContact CG1-CE1 4.45Å
97	K	94.6	Very high	85.8	Confident	46 Å²	46	51.1 Å²	51.1	20%	0.2	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.9	166.4	-67.4	-168.8	-174.3	160.9	0	108.6	T3 D69 E70	T3-K97 HydrophobicContact CG2-CB 3.86Å; D69-K97 HydrophobicContact CB-CB 4.45Å; D69-K97 PolarHBondContact N-O 3.22Å; E70-K97 HydrophobicContact CB-CB 4.24Å; E70-K97 HydrophobicContact CB-CD 4.16Å; E70-K97 HydrophobicContact CB-CG 4.47Å; E70-K97 PolarHBondContact N-O 3.49Å; E70-K97 PolarHBondContact O-N 3.35Å; E70-K97 IonicContact OE2-NZ 2.77Å; E70-K97 PolarHBondContact OE2-NZ 2.86Å
98	I	95.8	Very high	87.4	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.6	-175.5	-56.6	165.3	0	0	0	108	T3 V4 V6 L11 F57 L66 E67 L68 V100 L113	T3-I98 CarbonylContact C-O 3.5Å; T3-I98 WeakPolarHBondContact CA-O 3.43Å; V4-I98 PolarHBondContact N-O 2.89Å; V4-I98 PolarHBondContact O-N 3.43Å; V6-I98 HydrophobicContact CG2-CD1 3.77Å; L11-I98 HydrophobicContact CD2-CD1 4.47Å; F57-I98 HydrophobicContact CE1-CD1 3.81Å; F57-I98 HydrophobicContact CE1-CG1 4.25Å; F57-I98 HydrophobicContact CZ-CD1 3.72Å; L66-I98 HydrophobicContact CB-CG2 4.05Å; L66-I98 HydrophobicContact CD1-CG2 4.09Å; E67-I98 CarbonylContact O-C 3.53Å; E67-I98 WeakPolarHBondContact O-CA 3.29Å; L68-I98 HydrophobicContact CD1-CG1 4.13Å; I98-V100 HydrophobicContact CG2-CG2 4.39Å; I98-L113 HydrophobicContact CD1-CD1 4.16Å
99	D	95.4	Very high	89.2	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126.1	173.4	-107	30	0	0	0	110	M1 T3 E67	M1-D99 WeakPolarHBondContact CB-OD2 3.46Å; M1-D99 HydrophobicContact CE-CB 4.36Å; M1-D99 WeakPolarHBondContact CE-OD2 3.29Å; M1-D99 PolarHBondContact N-OD2 2.81Å; T3-D99 VanDerWaalsContact CB-OD1 3.28Å; T3-D99 WeakPolarHBondContact CB-OD1 3.38Å; T3-D99 WeakPolarHBondContact CG2-OD1 3.37Å; T3-D99 PolarHBondContact OG1-OD1 3.29Å; E67-D99 HydrophobicContact CB-CB 4.19Å; E67-D99 PolarHBondContact N-O 3.08Å; E67-D99 PolarHBondContact O-N 3.49Å
100	V	94.9	Very high	90.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.			trans	-115.3	141.4	-172.4	179.7	0	0	0	0	109.8	M1 P2 V4 L66 I98 A102 R104 L107 L113	M1-V100 WeakPolarHBondContact CB-O 3.43Å; P2-V100 WeakPolarHBondContact CD-O 3.4Å; P2-V100 VanDerWaalsContact CG-O 3.23Å; P2-V100 WeakPolarHBondContact CG-O 3.46Å; P2-V100 PolarHBondContact O-N 2.91Å; V4-V100 HydrophobicContact CG2-CG2 3.88Å; L66-V100 HydrophobicContact CD2-CB 4.39Å; L66-V100 HydrophobicContact CD2-CG1 4.3Å; L66-V100 HydrophobicContact CD2-CG2 4.21Å; I98-V100 HydrophobicContact CG2-CG2 4.39Å; V100-A102 PolarHBondContact O-N 2.85Å; V100-R104 HydrophobicContact CG1-CB 4.35Å; V100-L107 HydrophobicContact CG1-CB 3.5Å; V100-L107 VanDerWaalsContact CG1-CB 3.5Å; V100-L107 HydrophobicContact CG1-CD1 4.07Å; V100-L107 HydrophobicContact CG1-CG 4.41Å; V100-L113 HydrophobicContact CG2-CD2 4.26Å
101	P	93.3	Very high	91.8	Very high	42 Å²	42	42.8 Å²	42.8	27%	0.273	23%	0.229	S	C	.	.			trans	-56.4	134.7	172.9	-27.5	34.9	0	0	0	112.7	N103 R104	P101-N103 WeakPolarHBondContact CB-OD1 3.49Å; P101-N103 PolarHBondContact O-N 2.8Å; P101-R104 HydrophobicContact CB-CB 4.46Å; P101-R104 HydrophobicContact CB-CG 4.25Å; P101-R104 PolarHBondContact O-N 2.76Å
102	A	89.3	Confident	92.7	Very high	53 Å²	53	41.2 Å²	41.2	44%	0.438	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.8	-174.7	0	0	0	0	0	114.7	V100 Y105	V100-A102 PolarHBondContact O-N 2.85Å; A102-Y105 WeakPolarHBondContact O-CE1 3.48Å
103	N	91.3	Very high	93.4	Very high	121 Å²	121	36.4 Å²	36.4	65%	0.647	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.3	178	61.9	-20.6	0	0	0	113.8	P101	P101-N103 WeakPolarHBondContact CB-OD1 3.49Å; P101-N103 PolarHBondContact O-N 2.8Å
104	R	94.4	Very high	93.9	Very high	76 Å²	76	34.4 Å²	34.4	29%	0.287	18%	0.182	S	C	.	.			trans	-109.1	72.3	-178.1	-72.3	-66.1	-58.4	-82.4	0.8	111.9	V100 P101 D106 L107	V100-R104 HydrophobicContact CG1-CB 4.35Å; P101-R104 HydrophobicContact CB-CB 4.46Å; P101-R104 HydrophobicContact CB-CG 4.25Å; P101-R104 PolarHBondContact O-N 2.76Å; R104-D106 IonicContact CZ-OD1 3.71Å; R104-D106 IonicContact CZ-OD2 3.46Å; R104-D106 IonicContact NE-OD1 2.83Å; R104-D106 PolarHBondContact NE-OD1 2.89Å; R104-D106 IonicContact NE-OD2 3.36Å; R104-D106 PolarHBondContact NE-OD2 2.83Å; R104-D106 IonicContact NH2-OD1 3.73Å; R104-D106 IonicContact NH2-OD2 2.71Å; R104-D106 PolarHBondContact NH2-OD2 2.85Å; R104-D106 PolarHBondContact O-N 2.82Å; R104-L107 HydrophobicContact CB-CB 4.38Å; R104-L107 HydrophobicContact CB-CD1 3.8Å; R104-L107 HydrophobicContact CB-CG 4.04Å; R104-L107 HydrophobicContact CG-CD1 4.22Å; R104-L107 PolarHBondContact O-N 3.23Å; R104-L107 VanDerWaalsContact O-N 3.08Å
105	Y	94.7	Very high	94.2	Very high	96 Å²	96	37.2 Å²	37.2	38%	0.376	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-64.2	-21.9	-178.9	-51.9	-61.1	0	0	0	113.8	A102 L107 L108 I183	A102-Y105 WeakPolarHBondContact O-CE1 3.48Å; Y105-L107 PolarHBondContact O-N 3.44Å; Y105-L108 HydrophobicContact CD1-CD1 4.09Å; Y105-I183 HydrophobicContact CD1-CB 4.3Å; Y105-I183 HydrophobicContact CD1-CD1 4.28Å; Y105-I183 HydrophobicContact CD2-CD1 3.92Å; Y105-I183 HydrophobicContact CE1-CB 3.77Å; Y105-I183 HydrophobicContact CE1-CD1 3.9Å; Y105-I183 HydrophobicContact CE1-CG1 4.03Å; Y105-I183 HydrophobicContact CE2-CD1 3.47Å; Y105-I183 VanDerWaalsContact CE2-CD1 3.47Å; Y105-I183 HydrophobicContact CE2-CG1 4.32Å; Y105-I183 HydrophobicContact CG-CD1 4.3Å; Y105-I183 VanDerWaalsContact CZ-CD1 3.46Å
106	D	95	Very high	94.5	Very high	85 Å²	85	37.1 Å²	37.1	46%	0.455	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-68.6	-14	175	61.8	-61.5	0	0	0	113.5	R104 G112	R104-D106 IonicContact CZ-OD1 3.71Å; R104-D106 IonicContact CZ-OD2 3.46Å; R104-D106 IonicContact NE-OD1 2.83Å; R104-D106 PolarHBondContact NE-OD1 2.89Å; R104-D106 IonicContact NE-OD2 3.36Å; R104-D106 PolarHBondContact NE-OD2 2.83Å; R104-D106 IonicContact NH2-OD1 3.73Å; R104-D106 IonicContact NH2-OD2 2.71Å; R104-D106 PolarHBondContact NH2-OD2 2.85Å; R104-D106 PolarHBondContact O-N 2.82Å; D106-G112 CarbonylContact O-C 3.58Å; D106-G112 WeakPolarHBondContact O-CA 3.29Å
107	L	95.9	Very high	94.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-104.2	9	-177.3	-59.7	-176.7	0	0	0	113.3	F64 L66 V100 R104 Y105 C109 L113	F64-L107 HydrophobicContact CE1-CD1 3.71Å; F64-L107 HydrophobicContact CE1-CD2 4.11Å; F64-L107 HydrophobicContact CZ-CD1 4.34Å; F64-L107 HydrophobicContact CZ-CD2 4.42Å; L66-L107 HydrophobicContact CD2-CD1 4.06Å; V100-L107 HydrophobicContact CG1-CB 3.5Å; V100-L107 VanDerWaalsContact CG1-CB 3.5Å; V100-L107 HydrophobicContact CG1-CD1 4.07Å; V100-L107 HydrophobicContact CG1-CG 4.41Å; R104-L107 HydrophobicContact CB-CB 4.38Å; R104-L107 HydrophobicContact CB-CD1 3.8Å; R104-L107 HydrophobicContact CB-CG 4.04Å; R104-L107 HydrophobicContact CG-CD1 4.22Å; R104-L107 PolarHBondContact O-N 3.23Å; R104-L107 VanDerWaalsContact O-N 3.08Å; Y105-L107 PolarHBondContact O-N 3.44Å; L107-C109 PolarHBondContact O-N 3.09Å; L107-L113 HydrophobicContact CB-CD2 4.03Å; L107-L113 HydrophobicContact CB-CG 4.49Å; L107-L113 HydrophobicContact CD2-CD2 4.37Å; L107-L113 WeakPolarHBondContact O-CG 3.33Å
108	L	95.1	Very high	94.4	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.191	C	C	.	.	S	Bend	trans	-80.6	9.8	-176.3	-65.6	178	0	0	0	114.6	P2 V4 Y105 L175 K178 L179	P2-L108 HydrophobicContact CB-CD2 3.82Å; P2-L108 HydrophobicContact CG-CD2 4.11Å; V4-L108 HydrophobicContact CG2-CD2 4.46Å; Y105-L108 HydrophobicContact CD1-CD1 4.09Å; L108-L175 HydrophobicContact CB-CD1 3.73Å; L108-K178 HydrophobicContact CB-CB 4.49Å; L108-L179 HydrophobicContact CD1-CD2 3.8Å; L108-L179 HydrophobicContact CD1-CG 4.42Å
109	C	94.8	Very high	94.4	Very high	16 Å²	16	39 Å²	39	11%	0.108	20%	0.204	C	C	.	.	S	Bend	trans	-148.3	165.8	176.7	65.2	0	0	0	0	111.6	L107 E111 G112 L113 L175	L107-C109 PolarHBondContact O-N 3.09Å; C109-E111 VanDerWaalsContact C-N 3.34Å; C109-E111 PolarHBondContact O-N 3.4Å; C109-G112 PolarHBondContact O-N 2.98Å; C109-G112 PolarHBondContact SG-N 3.24Å; C109-G112 VanDerWaalsContact SG-N 3.39Å; C109-L113 WeakPolarHBondContact O-CG 3.48Å; C109-L113 PolarHBondContact O-N 2.94Å; C109-L175 HydrophobicContact CB-CB 4.15Å; C109-L175 HydrophobicContact CB-CD1 4.17Å; C109-L175 HydrophobicContact CB-CD2 4.44Å; C109-L175 HydrophobicContact CB-CG 4.48Å
110	L	94.5	Very high	94.4	Very high	30 Å²	30	42.4 Å²	42.4	16%	0.157	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-45.5	179	-178.1	151.8	0	0	0	112	V6 L10 A14 G112 L113 A114	V6-L110 HydrophobicContact CB-CD1 4.24Å; V6-L110 HydrophobicContact CG1-CB 3.94Å; V6-L110 HydrophobicContact CG1-CD1 4.38Å; V6-L110 HydrophobicContact CG1-CG 4.38Å; L10-L110 HydrophobicContact CB-CD1 3.92Å; A14-L110 HydrophobicContact CB-CD2 4.06Å; L110-G112 VanDerWaalsContact C-N 3.26Å; L110-G112 PolarHBondContact O-N 3.04Å; L110-L113 PolarHBondContact O-N 3.32Å; L110-A114 VanDerWaalsContact O-CB 3.27Å; L110-A114 WeakPolarHBondContact O-CB 3.37Å; L110-A114 PolarHBondContact O-N 3.12Å
111	E	94.4	Very high	94.3	Very high	68 Å²	68	46.4 Å²	46.4	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-34.4	-178.9	-66.5	81.3	177.8	0	0	112.4	C109 R115 S171	C109-E111 VanDerWaalsContact C-N 3.34Å; C109-E111 PolarHBondContact O-N 3.4Å; E111-R115 WeakPolarHBondContact O-CB 3.21Å; E111-R115 PolarHBondContact O-N 3.43Å; E111-S171 PolarHBondContact OE2-OG 3.45Å
112	G	95.4	Very high	94.3	Very high	11 Å²	11	52.8 Å²	52.8	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-69.6	-52.6	176.8	0	0	0	0	0	111.9	D106 C109 L110 R115 G116	D106-G112 CarbonylContact O-C 3.58Å; D106-G112 WeakPolarHBondContact O-CA 3.29Å; C109-G112 PolarHBondContact O-N 2.98Å; C109-G112 PolarHBondContact SG-N 3.24Å; C109-G112 VanDerWaalsContact SG-N 3.39Å; L110-G112 VanDerWaalsContact C-N 3.26Å; L110-G112 PolarHBondContact O-N 3.04Å; G112-R115 PolarHBondContact O-N 3.49Å; G112-G116 PolarHBondContact O-N 2.9Å
113	L	95.3	Very high	94.3	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-56.7	-54.4	175.7	-75.4	166.3	0	0	0	111.6	V4 V6 L66 I98 V100 L107 C109 L110 R115 G116 L117	V4-L113 HydrophobicContact CB-CD1 4.15Å; V4-L113 HydrophobicContact CG1-CD1 3.96Å; V6-L113 HydrophobicContact CG1-CD1 4.17Å; L66-L113 HydrophobicContact CD1-CD2 3.62Å; I98-L113 HydrophobicContact CD1-CD1 4.16Å; V100-L113 HydrophobicContact CG2-CD2 4.26Å; L107-L113 HydrophobicContact CB-CD2 4.03Å; L107-L113 HydrophobicContact CB-CG 4.49Å; L107-L113 HydrophobicContact CD2-CD2 4.37Å; L107-L113 WeakPolarHBondContact O-CG 3.33Å; C109-L113 WeakPolarHBondContact O-CG 3.48Å; C109-L113 PolarHBondContact O-N 2.94Å; L110-L113 PolarHBondContact O-N 3.32Å; L113-R115 VanDerWaalsContact C-N 3.26Å; L113-R115 PolarHBondContact O-N 3.18Å; L113-G116 PolarHBondContact O-N 2.98Å; L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 VanDerWaalsContact O-CG 3.3Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 3.33Å
114	A	94.6	Very high	94.4	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-39.1	-178.2	0	0	0	0	0	112	L11 A14 L15 L110 Q118	L11-A114 HydrophobicContact CD1-CB 4.49Å; A14-A114 HydrophobicContact CB-CB 3.8Å; L15-A114 HydrophobicContact CD2-CB 4.29Å; L110-A114 VanDerWaalsContact O-CB 3.27Å; L110-A114 WeakPolarHBondContact O-CB 3.37Å; L110-A114 PolarHBondContact O-N 3.12Å; A114-Q118 WeakPolarHBondContact O-CB 3.32Å; A114-Q118 WeakPolarHBondContact O-CG 3.37Å; A114-Q118 PolarHBondContact O-N 2.87Å; A114-Q118 VanDerWaalsContact O-N 3.09Å; A114-Q118 PolarHBondContact O-NE2 2.91Å
115	R	95.1	Very high	94.4	Very high	95 Å²	95	59 Å²	59	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-69.8	-45.7	177.1	-176.5	-175.3	-53.5	-125.1	-8.5	111.8	E111 G112 L113 Q118 V119 I124 P127 Y129	E111-R115 WeakPolarHBondContact O-CB 3.21Å; E111-R115 PolarHBondContact O-N 3.43Å; G112-R115 PolarHBondContact O-N 3.49Å; L113-R115 VanDerWaalsContact C-N 3.26Å; L113-R115 PolarHBondContact O-N 3.18Å; R115-Q118 PolarHBondContact O-N 3.37Å; R115-V119 VanDerWaalsContact O-CG2 3.29Å; R115-V119 WeakPolarHBondContact O-CG2 3.46Å; R115-V119 PolarHBondContact O-N 3.39Å; R115-I124 HydrophobicContact CG-CD1 4.39Å; R115-P127 HydrophobicContact CG-CG 4.28Å; R115-P127 VanDerWaalsContact NH1-CG 3.32Å; R115-Y129 WeakPolarHBondContact CD-OH 3.35Å; R115-Y129 PolarHBondContact NH1-OH 3.26Å
116	G	95.6	Very high	94.5	Very high	14 Å²	14	57.1 Å²	57.1	14%	0.144	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-49.1	178.1	0	0	0	0	0	111.7	G112 L113 V119 F120	G112-G116 PolarHBondContact O-N 2.9Å; L113-G116 PolarHBondContact O-N 2.98Å; G116-V119 PolarHBondContact O-N 2.77Å; G116-F120 WeakPolarHBondContact O-CB 3.37Å; G116-F120 PolarHBondContact O-N 2.98Å
117	L	94.4	Very high	94.5	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-41.2	178.3	-66.9	175	0	0	0	112.5	L15 F57 L60 F64 L66 L113 F120 K121	L15-L117 HydrophobicContact CD2-CB 4.02Å; L15-L117 HydrophobicContact CD2-CD1 4.38Å; F57-L117 HydrophobicContact CE2-CD1 4.03Å; L60-L117 HydrophobicContact CD1-CD2 4.32Å; L60-L117 HydrophobicContact CD2-CD1 4.21Å; L60-L117 HydrophobicContact CD2-CD2 4.36Å; L60-L117 HydrophobicContact CG-CD2 4.08Å; F64-L117 HydrophobicContact CB-CD2 3.89Å; F64-L117 HydrophobicContact CD1-CD2 3.55Å; F64-L117 HydrophobicContact CD1-CG 4.5Å; F64-L117 HydrophobicContact CD2-CD2 4.46Å; F64-L117 HydrophobicContact CE1-CD2 4.17Å; F64-L117 HydrophobicContact CG-CD2 3.73Å; L66-L117 HydrophobicContact CD1-CD2 4.49Å; L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 VanDerWaalsContact O-CG 3.3Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 3.33Å; L117-F120 PolarHBondContact O-N 2.9Å; L117-K121 PolarHBondContact O-N 3.48Å
118	Q	93.8	Very high	94.5	Very high	34 Å²	34	61 Å²	61	16%	0.159	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-37.6	177.5	-77.8	175.5	75.5	0	0	113.1	A14 L15 A114 R115 E122 R123 I124	A14-Q118 PolarHBondContact O-NE2 3.22Å; L15-Q118 HydrophobicContact CD2-CG 3.96Å; A114-Q118 WeakPolarHBondContact O-CB 3.32Å; A114-Q118 WeakPolarHBondContact O-CG 3.37Å; A114-Q118 PolarHBondContact O-N 2.87Å; A114-Q118 VanDerWaalsContact O-N 3.09Å; A114-Q118 PolarHBondContact O-NE2 2.91Å; R115-Q118 PolarHBondContact O-N 3.37Å; Q118-E122 PolarHBondContact O-N 3.14Å; Q118-R123 PolarHBondContact O-N 3.31Å; Q118-I124 HydrophobicContact CB-CD1 3.58Å; Q118-I124 HydrophobicContact CB-CG1 3.68Å; Q118-I124 HydrophobicContact CB-CG2 4.23Å; Q118-I124 PolarHBondContact O-N 3.3Å
119	V	95.4	Very high	94.4	Very high	48 Å²	48	68.9 Å²	68.9	29%	0.291	34%	0.337	S	S	.	.	H	α-helix	trans	-69.1	-41.8	175	172.7	0	0	0	0	110.5	R115 G116 K121 E122 I124 A126	R115-V119 VanDerWaalsContact O-CG2 3.29Å; R115-V119 WeakPolarHBondContact O-CG2 3.46Å; R115-V119 PolarHBondContact O-N 3.39Å; G116-V119 PolarHBondContact O-N 2.77Å; V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.96Å; V119-E122 WeakPolarHBondContact O-CA 3.42Å; V119-E122 PolarHBondContact O-N 3.06Å; V119-I124 HydrophobicContact CG2-CD1 4.01Å; V119-I124 HydrophobicContact CG2-CG1 3.63Å; V119-A126 HydrophobicContact CG1-CB 4.15Å; V119-A126 HydrophobicContact CG2-CB 4.36Å
120	F	95.3	Very high	94.5	Very high	90 Å²	90	76.4 Å²	76.4	40%	0.395	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-41.3	177.8	176.2	-113.2	0	0	0	112.8	E63 F64 G116 L117 E122	E63-F120 HydrophobicContact CB-CE1 4.16Å; E63-F120 HydrophobicContact CB-CZ 4.39Å; E63-F120 WeakPolarHBondContact O-CZ 3.45Å; F64-F120 HydrophobicContact CB-CD1 4.23Å; F64-F120 HydrophobicContact CB-CE1 4.21Å; F64-F120 HydrophobicContact CD2-CB 3.67Å; F64-F120 AromaticContact CD2-CD1 3.74Å; F64-F120 HydrophobicContact CD2-CD1 3.74Å; F64-F120 AromaticContact CD2-CD2 3.72Å; F64-F120 HydrophobicContact CD2-CD2 3.72Å; F64-F120 HydrophobicContact CD2-CE1 4.27Å; F64-F120 HydrophobicContact CD2-CE2 4.25Å; F64-F120 AromaticContact CD2-CG 3.43Å; F64-F120 HydrophobicContact CD2-CG 3.43Å; F64-F120 VanDerWaalsContact CD2-CG 3.43Å; F64-F120 HydrophobicContact CD2-CZ 4.5Å; F64-F120 HydrophobicContact CE2-CB 3.68Å; F64-F120 HydrophobicContact CE2-CD2 4.15Å; F64-F120 AromaticContact CE2-CG 3.92Å; F64-F120 HydrophobicContact CE2-CG 3.92Å; F64-F120 HydrophobicContact CG-CD1 4.37Å; F64-F120 HydrophobicContact CG-CG 4.45Å; G116-F120 WeakPolarHBondContact O-CB 3.37Å; G116-F120 PolarHBondContact O-N 2.98Å; L117-F120 PolarHBondContact O-N 2.9Å; F120-E122 PolarHBondContact O-N 3.38Å
121	K	92.4	Very high	94.4	Very high	83 Å²	83	86.6 Å²	86.6	36%	0.361	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	11.6	174.3	-67.4	-62.2	-171.3	178.2	0	113.9	L60 E63 L117 V119 R123	L60-K121 HydrophobicContact CD1-CD 4.14Å; L60-K121 HydrophobicContact CD1-CG 3.93Å; E63-K121 IonicContact OE2-NZ 2.53Å; E63-K121 PolarHBondContact OE2-NZ 2.87Å; L117-K121 PolarHBondContact O-N 3.48Å; V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.96Å; K121-R123 HydrophobicContact CB-CG 4.06Å; K121-R123 PolarHBondContact O-N 2.96Å
122	E	92.6	Very high	94.4	Very high	177 Å²	177	89.4 Å²	89.4	83%	0.827	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	20.1	179.1	-54.7	-174.4	164.8	0	0	114.5	Q118 V119 F120	Q118-E122 PolarHBondContact O-N 3.14Å; V119-E122 WeakPolarHBondContact O-CA 3.42Å; V119-E122 PolarHBondContact O-N 3.06Å; F120-E122 PolarHBondContact O-N 3.38Å
123	R	90.9	Very high	94.3	Very high	128 Å²	128	96.2 Å²	96.2	48%	0.483	46%	0.457	S	S	.	.	S	Bend	trans	-75.9	-30.9	-179.6	-64.6	-177	175.3	-159.5	-7.9	111.8	Q118 K121	Q118-R123 PolarHBondContact O-N 3.31Å; K121-R123 HydrophobicContact CB-CG 4.06Å; K121-R123 PolarHBondContact O-N 2.96Å
124	I	93.3	Very high	94	Very high	60 Å²	60	98.1 Å²	98.1	31%	0.308	47%	0.469	S	S	.	.	S	Bend	trans	-130.5	149.5	175.2	73.4	-179.4	0	0	0	109.8	R115 Q118 V119	R115-I124 HydrophobicContact CG-CD1 4.39Å; Q118-I124 HydrophobicContact CB-CD1 3.58Å; Q118-I124 HydrophobicContact CB-CG1 3.68Å; Q118-I124 HydrophobicContact CB-CG2 4.23Å; Q118-I124 PolarHBondContact O-N 3.3Å; V119-I124 HydrophobicContact CG2-CD1 4.01Å; V119-I124 HydrophobicContact CG2-CG1 3.63Å
125	K	94.8	Very high	93.5	Very high	191 Å²	191	108.1 Å²	108.1	83%	0.83	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-73.2	141.8	167.9	-171.7	172.8	-178.6	173.1	0	109.8
126	A	95.4	Very high	92.9	Very high	57 Å²	57	106.4 Å²	106.4	47%	0.471	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-53.6	125	173.2	0	0	0	0	0	110.8	V119	V119-A126 HydrophobicContact CG1-CB 4.15Å; V119-A126 HydrophobicContact CG2-CB 4.36Å
127	P	94.8	Very high	92.3	Very high	54 Å²	54	112.4 Å²	112.4	35%	0.351	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-72	143.6	-177.4	25.9	-30.4	0	0	0	111.2	R115 Y129	R115-P127 HydrophobicContact CG-CG 4.28Å; R115-P127 VanDerWaalsContact NH1-CG 3.32Å; P127-Y129 HydrophobicContact CG-CE2 4.44Å
128	V	95.8	Very high	92.2	Very high	114 Å²	114	117.6 Å²	117.6	69%	0.691	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-101	116.8	177.4	-178.8	0	0	0	0	109.3	K130	V128-K130 HydrophobicContact CG1-CG 4.19Å
129	Y	94.7	Very high	92.2	Very high	169 Å²	169	119 Å²	119	66%	0.663	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-87.6	125.2	176.8	-51.1	-80.2	0	0	0	110.2	R115 P127	R115-Y129 WeakPolarHBondContact CD-OH 3.35Å; R115-Y129 PolarHBondContact NH1-OH 3.26Å; P127-Y129 HydrophobicContact CG-CE2 4.44Å
130	K	95.3	Very high	92.1	Very high	174 Å²	174	123.1 Å²	123.1	76%	0.757	60%	0.6	S	S	*	*			trans	-125.2	133.7	176.2	-63.7	-177.2	-178.8	179.5	0	109.2	V128	V128-K130 HydrophobicContact CG1-CG 4.19Å
131	R	94.1	Very high	92.1	Very high	243 Å²	243	121.9 Å²	121.9	92%	0.917	60%	0.596	S	S	*	*			trans	-71.3	140.9	167.3	71	178.2	-176.3	179.9	-0.1	109.4
132	V	93.3	Very high	92.2	Very high	127 Å²	127	121.6 Å²	121.6	77%	0.77	60%	0.601	S	S	*	*			trans	-117.7	145.2	176	-63.6	0	0	0	0	109.4
133	M	92.7	Very high	92.3	Very high	155 Å²	155	116.5 Å²	116.5	76%	0.764	58%	0.579	S	S	*	*			trans	-73	134.5	170.4	-69	-59	-161.6	0	0	109.1
134	P	90.7	Very high	92.5	Very high	41 Å²	41	112.4 Å²	112.4	27%	0.266	57%	0.568	S	S	.	*			trans	-67.4	150.3	178.5	29.9	-34.5	0	0	0	110.5	G136 I138	P134-G136 PolarHBondContact O-N 3.09Å; P134-I138 HydrophobicContact CG-CG1 4.18Å
135	K	83.7	Confident	92.4	Very high	214 Å²	214	118 Å²	118	93%	0.93	59%	0.593	S	S	*	*	S	Bend	trans	-81	107	164	-64.1	-176.8	-179.8	-177.4	0	107.1
136	G	82.4	Confident	92.3	Very high	58 Å²	58	116.1 Å²	116.1	60%	0.598	59%	0.588	S	S	*	*	S	Bend	trans	111.7	-153.9	-177.2	0	0	0	0	0	113.1	P134 I138	P134-G136 PolarHBondContact O-N 3.09Å; G136-I138 PolarHBondContact O-N 3.46Å
137	D	83	Confident	92	Very high	140 Å²	140	114.3 Å²	114.3	75%	0.749	57%	0.571	S	S	*	*			trans	-67.8	130.1	-170.2	-64.5	-32.6	0	0	0	113	Q139	D137-Q139 PolarHBondContact O-N 3.25Å
138	I	91.3	Very high	91.7	Very high	113 Å²	113	114.4 Å²	114.4	58%	0.579	58%	0.576	S	S	*	*			trans	-74.8	114.6	174.4	-59.2	175.9	0	0	0	107.8	P134 G136	P134-I138 HydrophobicContact CG-CG1 4.18Å; G136-I138 PolarHBondContact O-N 3.46Å
139	Q	93.9	Very high	91.3	Very high	63 Å²	63	118.9 Å²	118.9	29%	0.294	59%	0.586	S	S	.	*			trans	-65.8	137.7	174	-59.8	-56.1	-48.3	0	0	110.1	D137 V158 L197	D137-Q139 PolarHBondContact O-N 3.25Å; Q139-V158 HydrophobicContact CB-CG2 4.29Å; Q139-V158 HydrophobicContact CG-CG2 4.23Å; Q139-L197 HydrophobicContact CG-CD2 4.39Å
140	K	94.2	Very high	91.1	Very high	135 Å²	135	116.8 Å²	116.8	59%	0.587	59%	0.591	S	S	*	*			trans	-127.6	138.8	-178.7	-64.4	179.8	-174	175.5	0	109.8	F204	K140-F204 PolarHBondContact O-N 3.06Å
141	L	95.1	Very high	91	Very high	63 Å²	63	112.4 Å²	112.4	33%	0.33	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.3	117.1	166.7	-177.2	67.5	0	0	0	107.4	A154 A156 F204	L141-A154 HydrophobicContact CD2-CB 3.89Å; L141-A156 HydrophobicContact CB-CB 4.4Å; L141-A156 HydrophobicContact CD2-CB 3.98Å; L141-F204 CarbonylContact C-O 3.58Å; L141-F204 WeakPolarHBondContact CA-O 3.29Å; L141-F204 HydrophobicContact CD1-CB 3.69Å
142	V	94.6	Very high	90.8	Very high	77 Å²	77	103.6 Å²	103.6	47%	0.467	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.8	179.7	-177.5	0	0	0	0	108.1	F204 T205 Y206	V142-F204 PolarHBondContact N-O 2.92Å; V142-T205 CarbonylContact O-C 3.54Å; V142-T205 WeakPolarHBondContact O-CA 3.4Å; V142-Y206 PolarHBondContact O-N 2.88Å
143	I	95.1	Very high	90.9	Very high	70 Å²	70	106 Å²	106	36%	0.359	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-91.7	130.3	177.5	-58.9	169	0	0	0	108.3	T147 A154 Y206	I143-T147 WeakPolarHBondContact CG2-OG1 3.44Å; I143-A154 HydrophobicContact CD1-CB 4.12Å; I143-A154 HydrophobicContact CG1-CB 4.31Å; I143-Y206 WeakPolarHBondContact CA-O 3.28Å; I143-Y206 HydrophobicContact CG1-CD1 4.29Å; I143-Y206 HydrophobicContact CG2-CD1 4.23Å
144	T	94.3	Very high	91	Very high	42 Å²	42	100.4 Å²	100.4	26%	0.258	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-100	159.6	179.5	77.4	0	0	0	0	112.4	E146 T147 T205 Y206	T144-E146 WeakPolarHBondContact CB-OE2 3.28Å; T144-E146 PolarHBondContact O-N 3.48Å; T144-E146 PolarHBondContact OG1-OE2 2.59Å; T144-T147 PolarHBondContact O-N 2.86Å; T144-T147 PolarHBondContact O-OG1 3.32Å; T144-T205 HydrophobicContact CG2-CG2 3.4Å; T144-Y206 PolarHBondContact N-O 2.89Å
145	E	92.2	Very high	91.3	Very high	177 Å²	177	105.2 Å²	105.2	83%	0.827	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-65.4	-24.3	-176.3	-66.6	-170.1	169.6	0	0	112.9	T147 A148	E145-T147 PolarHBondContact O-N 3.09Å; E145-A148 WeakPolarHBondContact O-CB 3.3Å; E145-A148 PolarHBondContact O-N 3.35Å; E145-A148 VanDerWaalsContact O-N 3.07Å
146	E	91.5	Very high	91.8	Very high	153 Å²	153	98.4 Å²	98.4	72%	0.715	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-59.8	-29.2	177.8	-63.5	79.5	-174.9	0	0	112	T144 A148	T144-E146 WeakPolarHBondContact CB-OE2 3.28Å; T144-E146 PolarHBondContact O-N 3.48Å; T144-E146 PolarHBondContact OG1-OE2 2.59Å; E146-A148 VanDerWaalsContact C-N 3.34Å
147	T	90	Very high	92.4	Very high	18 Å²	18	100.1 Å²	100.1	11%	0.11	54%	0.543	C	S	.	.	G	3₁₀ helix	trans	-77.1	-18.3	179	66.6	0	0	0	0	113.6	I143 T144 E145 K149 V150 R151 Y206	I143-T147 WeakPolarHBondContact CG2-OG1 3.44Å; T144-T147 PolarHBondContact O-N 2.86Å; T144-T147 PolarHBondContact O-OG1 3.32Å; E145-T147 PolarHBondContact O-N 3.09Å; T147-K149 PolarHBondContact O-N 3.23Å; T147-K149 VanDerWaalsContact O-N 3.09Å; T147-V150 PolarHBondContact O-N 3.45Å; T147-R151 CarbonylContact O-C 3.57Å; T147-R151 PolarHBondContact O-N 3.2Å; T147-Y206 VanDerWaalsContact CG2-C 3.48Å; T147-Y206 HydrophobicContact CG2-CD1 4.03Å; T147-Y206 HydrophobicContact CG2-CE1 4.22Å; T147-Y206 WeakPolarHBondContact CG2-O 3.44Å; T147-Y206 WeakPolarHBondContact CG2-OXT 2.87Å
148	A	87.6	Confident	93	Very high	56 Å²	56	96.8 Å²	96.8	46%	0.463	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.1	-169.2	0	0	0	0	0	114.1	E145 E146	E145-A148 WeakPolarHBondContact O-CB 3.3Å; E145-A148 PolarHBondContact O-N 3.35Å; E145-A148 VanDerWaalsContact O-N 3.07Å; E146-A148 VanDerWaalsContact C-N 3.34Å
149	K	88.1	Confident	93.1	Very high	208 Å²	208	97.6 Å²	97.6	90%	0.904	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-20	-178.3	-66.8	-178.7	-178.1	174.7	0	113.9	T147	T147-K149 PolarHBondContact O-N 3.23Å; T147-K149 VanDerWaalsContact O-N 3.09Å
150	V	90.5	Very high	93	Very high	125 Å²	125	100.4 Å²	100.4	76%	0.758	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-53.1	-173.3	-176.7	0	0	0	0	110.8	T147	T147-V150 PolarHBondContact O-N 3.45Å
151	R	92.4	Very high	93	Very high	82 Å²	82	101.5 Å²	101.5	31%	0.309	55%	0.552	S	S	.	*			trans	-146.9	90.6	178.9	-77	-172.6	179.5	-128.6	-4.3	109.2	T147 F153 R187 A191 Y206	T147-R151 CarbonylContact O-C 3.57Å; T147-R151 PolarHBondContact O-N 3.2Å; R151-F153 VanDerWaalsContact C-N 3.27Å; R151-F153 PolarHBondContact O-N 2.98Å; R151-R187 PolarHBondContact NH2-O 3.38Å; R151-A191 VanDerWaalsContact NH1-CB 3.28Å; R151-Y206 HydrophobicContact CB-CE1 4.31Å; R151-Y206 WeakPolarHBondContact CB-OH 3.46Å; R151-Y206 VanDerWaalsContact CD-OH 3.24Å; R151-Y206 WeakPolarHBondContact CD-OH 3.33Å; R151-Y206 WeakPolarHBondContact O-CE1 3.49Å
152	P	91.2	Very high	92.9	Very high	58 Å²	58	102.4 Å²	102.4	38%	0.377	56%	0.556	S	S	.	*			trans	-71.3	-16.4	-167.9	24.2	-33.5	0	0	0	115.4
153	F	94.4	Very high	92.9	Very high	179 Å²	179	106.9 Å²	106.9	79%	0.785	57%	0.57	S	S	*	*			trans	-133.4	139.5	-172.4	-51.1	-64	0	0	0	111.2	R151	R151-F153 VanDerWaalsContact C-N 3.27Å; R151-F153 PolarHBondContact O-N 2.98Å
154	A	95.3	Very high	92.7	Very high	36 Å²	36	108 Å²	108	30%	0.298	57%	0.572	S	S	.	*			trans	-138.4	151.6	169.5	0	0	0	0	0	110	L141 I143 Y206	L141-A154 HydrophobicContact CD2-CB 3.89Å; I143-A154 HydrophobicContact CD1-CB 4.12Å; I143-A154 HydrophobicContact CG1-CB 4.31Å; A154-Y206 HydrophobicContact CB-CD1 3.45Å; A154-Y206 VanDerWaalsContact CB-CD1 3.45Å; A154-Y206 HydrophobicContact CB-CD2 4.32Å; A154-Y206 HydrophobicContact CB-CE1 3.71Å; A154-Y206 HydrophobicContact CB-CG 3.78Å
155	V	95.8	Very high	92.6	Very high	142 Å²	142	109.4 Å²	109.4	86%	0.861	58%	0.581	S	S	*	*			trans	-138.2	141.3	174.2	63.7	0	0	0	0	108.5
156	A	95.8	Very high	92.6	Very high	72 Å²	72	108.8 Å²	108.8	60%	0.595	58%	0.576	S	S	*	*			trans	-133.7	151.7	177.5	0	0	0	0	0	110.5	L141	L141-A156 HydrophobicContact CB-CB 4.4Å; L141-A156 HydrophobicContact CD2-CB 3.98Å
157	A	95.2	Very high	92.4	Very high	94 Å²	94	104.4 Å²	104.4	78%	0.777	56%	0.557	S	S	*	*			trans	-142.1	153.2	173.6	0	0	0	0	0	109.4
158	V	94.3	Very high	92.4	Very high	69 Å²	69	109.8 Å²	109.8	42%	0.418	58%	0.575	S	S	.	*			trans	-113	126.4	176.8	178.5	0	0	0	0	109	Q139 R160 L197	Q139-V158 HydrophobicContact CB-CG2 4.29Å; Q139-V158 HydrophobicContact CG-CG2 4.23Å; V158-R160 HydrophobicContact CG1-CG 3.77Å; V158-L197 HydrophobicContact CG1-CD2 3.63Å; V158-L197 HydrophobicContact CG2-CD2 4.12Å
159	L	94	Very high	92.7	Very high	131 Å²	131	112.8 Å²	112.8	69%	0.686	58%	0.575	S	S	*	*			trans	-107	114	170.3	-64.1	177.8	0	0	0	107.5	I162	L159-I162 HydrophobicContact CB-CD1 3.68Å; L159-I162 HydrophobicContact CB-CG1 4.11Å; L159-I162 HydrophobicContact CD1-CD1 4.26Å
160	R	92.6	Very high	92.9	Very high	122 Å²	122	106.4 Å²	106.4	46%	0.46	55%	0.551	S	S	.	*			trans	-95.4	149.4	-174.6	-62.4	-171.2	-178.7	-82.2	4.7	111.7	V158 I162	V158-R160 HydrophobicContact CG1-CG 3.77Å; R160-I162 VanDerWaalsContact C-N 3.32Å; R160-I162 PolarHBondContact O-N 3.27Å
161	N	92.4	Very high	93	Very high	158 Å²	158	101.1 Å²	101.1	85%	0.845	52%	0.52	S	S	*	.	S	Bend	trans	59.6	37.5	173.1	-52.2	-42.6	0	0	0	113.8	K163	N161-K163 PolarHBondContact O-N 3.31Å
162	I	93.9	Very high	93.1	Very high	81 Å²	81	100.4 Å²	100.4	42%	0.415	52%	0.519	S	S	.	.			trans	-69.9	130.8	172.7	-51.4	-178.9	0	0	0	108.7	L159 R160 F164	L159-I162 HydrophobicContact CB-CD1 3.68Å; L159-I162 HydrophobicContact CB-CG1 4.11Å; L159-I162 HydrophobicContact CD1-CD1 4.26Å; R160-I162 VanDerWaalsContact C-N 3.32Å; R160-I162 PolarHBondContact O-N 3.27Å; I162-F164 HydrophobicContact CB-CD2 4.41Å; I162-F164 HydrophobicContact CB-CE2 4.11Å; I162-F164 HydrophobicContact CD1-CE2 4.27Å; I162-F164 HydrophobicContact CD1-CZ 4.24Å; I162-F164 HydrophobicContact CG2-CD1 4.29Å; I162-F164 HydrophobicContact CG2-CD2 3.95Å; I162-F164 HydrophobicContact CG2-CE1 4.08Å; I162-F164 HydrophobicContact CG2-CE2 3.72Å; I162-F164 HydrophobicContact CG2-CG 4.23Å; I162-F164 HydrophobicContact CG2-CZ 3.79Å
163	K	93.6	Very high	93.3	Very high	172 Å²	172	100.4 Å²	100.4	75%	0.748	52%	0.515	S	S	*	.			trans	-100.8	94.2	172.6	-64.6	-172.4	178.6	-175.2	0	109.6	N161 R168	N161-K163 PolarHBondContact O-N 3.31Å; K163-R168 PolarHBondContact O-NH1 3.21Å; K163-R168 VanDerWaalsContact O-NH1 3.16Å
164	F	91.9	Very high	93.3	Very high	92 Å²	92	95.2 Å²	95.2	40%	0.404	49%	0.494	S	S	.	.			trans	-75.5	134.8	173.8	-75.5	-66.5	0	0	0	111.1	I162 R168 Y169 F172	I162-F164 HydrophobicContact CB-CD2 4.41Å; I162-F164 HydrophobicContact CB-CE2 4.11Å; I162-F164 HydrophobicContact CD1-CE2 4.27Å; I162-F164 HydrophobicContact CD1-CZ 4.24Å; I162-F164 HydrophobicContact CG2-CD1 4.29Å; I162-F164 HydrophobicContact CG2-CD2 3.95Å; I162-F164 HydrophobicContact CG2-CE1 4.08Å; I162-F164 HydrophobicContact CG2-CE2 3.72Å; I162-F164 HydrophobicContact CG2-CG 4.23Å; I162-F164 HydrophobicContact CG2-CZ 3.79Å; F164-R168 HydrophobicContact CD1-CB 4.29Å; F164-Y169 HydrophobicContact CD1-CD2 4.31Å; F164-Y169 HydrophobicContact CE1-CD2 4.49Å; F164-Y169 HydrophobicContact CG-CD2 4.43Å; F164-F172 HydrophobicContact CE1-CB 3.95Å; F164-F172 HydrophobicContact CE1-CD1 4.19Å; F164-F172 HydrophobicContact CE1-CG 4Å; F164-F172 HydrophobicContact CZ-CD1 4.06Å; F164-F172 HydrophobicContact CZ-CE1 4.34Å; F164-F172 HydrophobicContact CZ-CG 4.17Å
165	T	92.7	Very high	93.3	Very high	72 Å²	72	95.7 Å²	95.7	44%	0.442	49%	0.491	S	S	.	.			trans	-107.4	169.5	156.4	62.3	0	0	0	0	107.1	D167 R168 Y169	T165-D167 PolarHBondContact O-N 2.7Å; T165-R168 PolarHBondContact O-N 2.97Å; T165-R168 WeakPolarHBondContact OG1-CG 3.5Å; T165-R168 PolarHBondContact OG1-N 3.3Å; T165-Y169 WeakPolarHBondContact O-CB 3.44Å; T165-Y169 PolarHBondContact O-N 2.48Å
166	K	90.6	Very high	93.2	Very high	165 Å²	165	90.6 Å²	90.6	72%	0.717	46%	0.458	S	S	*	.	H	α-helix	trans	-52.4	-52.8	176.6	-175.1	177.6	177.1	-176.2	0	111.7	R168 Y169 D170	K166-R168 VanDerWaalsContact C-N 3.34Å; K166-R168 PolarHBondContact O-N 2.92Å; K166-Y169 PolarHBondContact O-N 2.88Å; K166-D170 VanDerWaalsContact O-CG 3.25Å; K166-D170 PolarHBondContact O-N 3.46Å
167	D	88	Confident	93.2	Very high	60 Å²	60	90.4 Å²	90.4	32%	0.321	44%	0.444	S	S	.	.	H	α-helix	trans	-63	-36.9	-179.2	-58.1	-62.3	0	0	0	113.4	K7 L10 T165 S171	K7-D167 IonicContact NZ-OD1 3.74Å; K7-D167 PolarHBondContact NZ-OD1 3.37Å; L10-D167 HydrophobicContact CD1-CB 3.85Å; T165-D167 PolarHBondContact O-N 2.7Å; D167-S171 VanDerWaalsContact O-CB 3.32Å; D167-S171 WeakPolarHBondContact O-CB 3.36Å; D167-S171 PolarHBondContact O-N 3.2Å
168	R	90.9	Very high	93.1	Very high	132 Å²	132	88.2 Å²	88.2	50%	0.498	42%	0.417	S	S	.	.	H	α-helix	trans	-69.7	-36.8	177	-72.9	178	-179.6	179.5	0.6	112.2	K163 F164 T165 K166 F172	K163-R168 PolarHBondContact O-NH1 3.21Å; K163-R168 VanDerWaalsContact O-NH1 3.16Å; F164-R168 HydrophobicContact CD1-CB 4.29Å; T165-R168 PolarHBondContact O-N 2.97Å; T165-R168 WeakPolarHBondContact OG1-CG 3.5Å; T165-R168 PolarHBondContact OG1-N 3.3Å; K166-R168 VanDerWaalsContact C-N 3.34Å; K166-R168 PolarHBondContact O-N 2.92Å; R168-F172 WeakPolarHBondContact O-CB 3.28Å; R168-F172 PolarHBondContact O-N 3.09Å
169	Y	93.2	Very high	93.1	Very high	119 Å²	119	86.6 Å²	86.6	47%	0.467	41%	0.406	S	S	.	.	H	α-helix	trans	-67.7	-45.9	176.4	179.9	-96.1	0	0	0	110.2	F164 T165 K166 S171 F172 I173	F164-Y169 HydrophobicContact CD1-CD2 4.31Å; F164-Y169 HydrophobicContact CE1-CD2 4.49Å; F164-Y169 HydrophobicContact CG-CD2 4.43Å; T165-Y169 WeakPolarHBondContact O-CB 3.44Å; T165-Y169 PolarHBondContact O-N 2.48Å; K166-Y169 PolarHBondContact O-N 2.88Å; Y169-S171 PolarHBondContact O-N 2.93Å; Y169-F172 WeakPolarHBondContact O-CB 3.46Å; Y169-F172 PolarHBondContact O-N 3.44Å; Y169-F172 VanDerWaalsContact O-N 3.17Å; Y169-I173 HydrophobicContact CD1-CG1 4.26Å; Y169-I173 HydrophobicContact CE1-CG1 3.82Å; Y169-I173 HydrophobicContact CE2-CD1 4.32Å; Y169-I173 HydrophobicContact CE2-CG1 4.24Å; Y169-I173 WeakPolarHBondContact O-CG1 3.4Å; Y169-I173 PolarHBondContact O-N 3.45Å
170	D	91.8	Very high	93.2	Very high	73 Å²	73	80.5 Å²	80.5	39%	0.39	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-45.8	177.1	-64.4	-19.8	0	0	0	110.9	K166 F172 I173 E174	K166-D170 VanDerWaalsContact O-CG 3.25Å; K166-D170 PolarHBondContact O-N 3.46Å; D170-F172 VanDerWaalsContact C-N 3.31Å; D170-F172 PolarHBondContact O-N 2.65Å; D170-I173 PolarHBondContact O-N 3.24Å; D170-E174 WeakPolarHBondContact O-CB 3.35Å; D170-E174 PolarHBondContact O-N 2.85Å
171	S	93.2	Very high	93.1	Very high	15 Å²	15	79.6 Å²	79.6	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-58.8	-40.9	173.8	-175.4	0	0	0	0	112.4	E111 D167 Y169 E174 L175	E111-S171 PolarHBondContact OE2-OG 3.45Å; D167-S171 VanDerWaalsContact O-CB 3.32Å; D167-S171 WeakPolarHBondContact O-CB 3.36Å; D167-S171 PolarHBondContact O-N 3.2Å; Y169-S171 PolarHBondContact O-N 2.93Å; S171-E174 PolarHBondContact O-N 2.73Å; S171-L175 WeakPolarHBondContact O-CB 3.34Å; S171-L175 PolarHBondContact O-N 3.09Å
172	F	94.9	Very high	93	Very high	67 Å²	67	74.9 Å²	74.9	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-65.1	-43.8	179	176.4	-104	0	0	0	112.5	F164 R168 Y169 D170 Q176 T194	F164-F172 HydrophobicContact CE1-CB 3.95Å; F164-F172 HydrophobicContact CE1-CD1 4.19Å; F164-F172 HydrophobicContact CE1-CG 4Å; F164-F172 HydrophobicContact CZ-CD1 4.06Å; F164-F172 HydrophobicContact CZ-CE1 4.34Å; F164-F172 HydrophobicContact CZ-CG 4.17Å; R168-F172 WeakPolarHBondContact O-CB 3.28Å; R168-F172 PolarHBondContact O-N 3.09Å; Y169-F172 WeakPolarHBondContact O-CB 3.46Å; Y169-F172 PolarHBondContact O-N 3.44Å; Y169-F172 VanDerWaalsContact O-N 3.17Å; D170-F172 VanDerWaalsContact C-N 3.31Å; D170-F172 PolarHBondContact O-N 2.65Å; F172-Q176 PolarHBondContact O-N 3.08Å; F172-T194 HydrophobicContact CE1-CG2 3.52Å; F172-T194 HydrophobicContact CZ-CG2 3.39Å
173	I	94.9	Very high	92.9	Very high	58 Å²	58	74.6 Å²	74.6	30%	0.297	35%	0.348	S	S	.	.	H	α-helix	trans	-69.5	-40.1	176.4	-63.2	-58.3	0	0	0	111	Y169 D170 L175 Q176 E177	Y169-I173 HydrophobicContact CD1-CG1 4.26Å; Y169-I173 HydrophobicContact CE1-CG1 3.82Å; Y169-I173 HydrophobicContact CE2-CD1 4.32Å; Y169-I173 HydrophobicContact CE2-CG1 4.24Å; Y169-I173 WeakPolarHBondContact O-CG1 3.4Å; Y169-I173 PolarHBondContact O-N 3.45Å; D170-I173 PolarHBondContact O-N 3.24Å; I173-L175 PolarHBondContact O-N 3.36Å; I173-Q176 WeakPolarHBondContact O-CB 3Å; I173-Q176 PolarHBondContact O-N 3.49Å; I173-E177 PolarHBondContact O-N 3.15Å
174	E	93.6	Very high	92.9	Very high	70 Å²	70	66.6 Å²	66.6	33%	0.327	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-44.8	176.5	-173.8	175.2	-177.9	0	0	111.3	D170 S171 Q176 E177 K178	D170-E174 WeakPolarHBondContact O-CB 3.35Å; D170-E174 PolarHBondContact O-N 2.85Å; S171-E174 PolarHBondContact O-N 2.73Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.35Å; E174-E177 PolarHBondContact O-N 3.13Å; E174-E177 VanDerWaalsContact O-N 3.16Å; E174-K178 HydrophobicContact CG-CG 4.25Å; E174-K178 VanDerWaalsContact O-CG 3.29Å; E174-K178 WeakPolarHBondContact O-CG 3.17Å; E174-K178 PolarHBondContact O-N 2.73Å
175	L	95.1	Very high	93	Very high	46 Å²	46	70.7 Å²	70.7	24%	0.241	33%	0.327	C	S	.	.	H	α-helix	trans	-55.9	-45.6	174.9	176.5	61	0	0	0	111.5	L108 C109 S171 I173 E177 K178 L179	L108-L175 HydrophobicContact CB-CD1 3.73Å; C109-L175 HydrophobicContact CB-CB 4.15Å; C109-L175 HydrophobicContact CB-CD1 4.17Å; C109-L175 HydrophobicContact CB-CD2 4.44Å; C109-L175 HydrophobicContact CB-CG 4.48Å; S171-L175 WeakPolarHBondContact O-CB 3.34Å; S171-L175 PolarHBondContact O-N 3.09Å; I173-L175 PolarHBondContact O-N 3.36Å; L175-E177 VanDerWaalsContact C-N 3.33Å; L175-E177 PolarHBondContact O-N 3.04Å; L175-K178 PolarHBondContact O-N 2.91Å; L175-L179 HydrophobicContact CD1-CD1 4.15Å; L175-L179 HydrophobicContact CD1-CG 4.25Å; L175-L179 HydrophobicContact CG-CD1 4.14Å; L175-L179 VanDerWaalsContact O-CG 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 3.22Å
176	Q	95.5	Very high	93.1	Very high	35 Å²	35	75.8 Å²	75.8	16%	0.164	34%	0.343	C	S	.	.	H	α-helix	trans	-58.8	-46.5	177.9	-176.1	-176.7	-71	0	0	111.3	F172 I173 E174 L179 H180 I192	F172-Q176 PolarHBondContact O-N 3.08Å; I173-Q176 WeakPolarHBondContact O-CB 3Å; I173-Q176 PolarHBondContact O-N 3.49Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.35Å; Q176-L179 PolarHBondContact O-N 3.13Å; Q176-H180 WeakPolarHBondContact O-CB 3.22Å; Q176-H180 PolarHBondContact O-CD2 3.25Å; Q176-H180 VanDerWaalsContact O-CG 3.27Å; Q176-H180 PolarHBondContact O-N 3.38Å; Q176-I192 HydrophobicContact CG-CB 4.2Å; Q176-I192 HydrophobicContact CG-CG2 4.36Å; Q176-I192 PolarHBondContact NE2-O 2.91Å
177	E	94.4	Very high	93.3	Very high	68 Å²	68	73.4 Å²	73.4	32%	0.318	33%	0.329	S	S	.	.	H	α-helix	trans	-67.8	-39.2	-179.3	-175	55.9	-151.3	0	0	111.9	I173 E174 L175 L179 H180 Q181 R187	I173-E177 PolarHBondContact O-N 3.15Å; E174-E177 PolarHBondContact O-N 3.13Å; E174-E177 VanDerWaalsContact O-N 3.16Å; L175-E177 VanDerWaalsContact C-N 3.33Å; L175-E177 PolarHBondContact O-N 3.04Å; E177-L179 PolarHBondContact O-N 3.28Å; E177-H180 WeakPolarHBondContact O-CB 3.15Å; E177-H180 PolarHBondContact O-N 3Å; E177-H180 IonicContact OE2-ND1 3.97Å; E177-Q181 VanDerWaalsContact O-CG 3.29Å; E177-Q181 WeakPolarHBondContact O-CG 3.1Å; E177-Q181 PolarHBondContact O-N 3.29Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.26Å; E177-Q181 PolarHBondContact OE1-NE2 3.28Å; E177-R187 IonicContact OE2-CZ 2.73Å; E177-R187 IonicContact OE2-NH2 2.83Å; E177-R187 PolarHBondContact OE2-NH2 3.44Å
178	K	93.7	Very high	93.6	Very high	47 Å²	47	74.1 Å²	74.1	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-43	174.5	-68.6	-73	176.7	176.7	0	111.9	T3 L108 E174 L175 Q181 N182	T3-K178 WeakPolarHBondContact O-CE 3.2Å; T3-K178 PolarHBondContact O-NZ 2.82Å; L108-K178 HydrophobicContact CB-CB 4.49Å; E174-K178 HydrophobicContact CG-CG 4.25Å; E174-K178 VanDerWaalsContact O-CG 3.29Å; E174-K178 WeakPolarHBondContact O-CG 3.17Å; E174-K178 PolarHBondContact O-N 2.73Å; L175-K178 PolarHBondContact O-N 2.91Å; K178-Q181 PolarHBondContact O-N 3.35Å; K178-N182 WeakPolarHBondContact O-CB 3.46Å; K178-N182 PolarHBondContact O-N 3.48Å; K178-N182 VanDerWaalsContact O-N 3.08Å
179	L	95.1	Very high	93.7	Very high	35 Å²	35	73.1 Å²	73.1	18%	0.183	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-43.7	174.1	-69.4	170.2	0	0	0	111.2	L108 L175 Q176 E177 Q181 N182 I183 C184 I192	L108-L179 HydrophobicContact CD1-CD2 3.8Å; L108-L179 HydrophobicContact CD1-CG 4.42Å; L175-L179 HydrophobicContact CD1-CD1 4.15Å; L175-L179 HydrophobicContact CD1-CG 4.25Å; L175-L179 HydrophobicContact CG-CD1 4.14Å; L175-L179 VanDerWaalsContact O-CG 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 3.22Å; Q176-L179 PolarHBondContact O-N 3.13Å; E177-L179 PolarHBondContact O-N 3.28Å; L179-Q181 VanDerWaalsContact C-N 3.34Å; L179-Q181 PolarHBondContact O-N 3.35Å; L179-N182 PolarHBondContact O-N 2.91Å; L179-I183 HydrophobicContact CB-CG2 4.36Å; L179-I183 HydrophobicContact CD2-CG2 3.96Å; L179-I183 WeakPolarHBondContact O-CG2 3.33Å; L179-I183 PolarHBondContact O-N 3.38Å; L179-C184 VanDerWaalsContact O-CB 3.28Å; L179-C184 WeakPolarHBondContact O-CB 3.41Å; L179-C184 PolarHBondContact O-N 3.21Å; L179-C184 VanDerWaalsContact O-N 3.08Å; L179-C184 PolarHBondContact O-SG 2.89Å; L179-I192 HydrophobicContact CB-CD1 4.14Å; L179-I192 HydrophobicContact CD1-CD1 4.05Å
180	H	95.2	Very high	93.8	Very high	4 Å²	4	71.1 Å²	71.1	2%	0.019	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-44.6	176.3	-76.6	177.3	0	0	0	112.8	Q176 E177 C184 K186 R187 I192	Q176-H180 WeakPolarHBondContact O-CB 3.22Å; Q176-H180 PolarHBondContact O-CD2 3.25Å; Q176-H180 VanDerWaalsContact O-CG 3.27Å; Q176-H180 PolarHBondContact O-N 3.38Å; E177-H180 WeakPolarHBondContact O-CB 3.15Å; E177-H180 PolarHBondContact O-N 3Å; E177-H180 IonicContact OE2-ND1 3.97Å; H180-C184 WeakPolarHBondContact O-CB 3.46Å; H180-K186 WeakPolarHBondContact O-CA 3.12Å; H180-K186 PolarHBondContact O-N 3.42Å; H180-R187 HydrophobicContact CB-CG 3.82Å; H180-R187 PolarHBondContact ND1-NE 3.38Å; H180-R187 PolarHBondContact ND1-NH2 3.18Å; H180-R187 PolarHBondContact O-N 3.14Å; H180-I192 PolarHBondContact CE1-O 2.75Å; H180-I192 VanDerWaalsContact NE2-CB 3.33Å; H180-I192 WeakPolarHBondContact NE2-CB 3.5Å; H180-I192 PolarHBondContact NE2-N 3.31Å; H180-I192 PolarHBondContact NE2-O 3.28Å
181	Q	91.2	Very high	94	Very high	103 Å²	103	70.2 Å²	70.2	48%	0.481	35%	0.35	S	S	.	.	H	α-helix	trans	-69.2	-42.1	-178.6	-71.6	175.6	5.5	0	0	112.1	E177 K178 L179	E177-Q181 VanDerWaalsContact O-CG 3.29Å; E177-Q181 WeakPolarHBondContact O-CG 3.1Å; E177-Q181 PolarHBondContact O-N 3.29Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.26Å; E177-Q181 PolarHBondContact OE1-NE2 3.28Å; K178-Q181 PolarHBondContact O-N 3.35Å; L179-Q181 VanDerWaalsContact C-N 3.34Å; L179-Q181 PolarHBondContact O-N 3.35Å
182	N	89.2	Confident	94.1	Very high	58 Å²	58	72.5 Å²	72.5	31%	0.31	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-90.9	-173.6	-171.2	-29.1	0	0	0	112.5	K178 L179 C184 R185	K178-N182 WeakPolarHBondContact O-CB 3.46Å; K178-N182 PolarHBondContact O-N 3.48Å; K178-N182 VanDerWaalsContact O-N 3.08Å; L179-N182 PolarHBondContact O-N 2.91Å; N182-C184 PolarHBondContact O-N 2.95Å; N182-C184 VanDerWaalsContact O-N 3.16Å; N182-R185 PolarHBondContact O-N 3.5Å
183	I	93.1	Very high	94.1	Very high	75 Å²	75	71.8 Å²	71.8	39%	0.385	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.9	-169.1	-164.1	-179.7	0	0	0	112.4	Y105 L179 R185	Y105-I183 HydrophobicContact CD1-CB 4.3Å; Y105-I183 HydrophobicContact CD1-CD1 4.28Å; Y105-I183 HydrophobicContact CD2-CD1 3.92Å; Y105-I183 HydrophobicContact CE1-CB 3.77Å; Y105-I183 HydrophobicContact CE1-CD1 3.9Å; Y105-I183 HydrophobicContact CE1-CG1 4.03Å; Y105-I183 HydrophobicContact CE2-CD1 3.47Å; Y105-I183 VanDerWaalsContact CE2-CD1 3.47Å; Y105-I183 HydrophobicContact CE2-CG1 4.32Å; Y105-I183 HydrophobicContact CG-CD1 4.3Å; Y105-I183 VanDerWaalsContact CZ-CD1 3.46Å; L179-I183 HydrophobicContact CB-CG2 4.36Å; L179-I183 HydrophobicContact CD2-CG2 3.96Å; L179-I183 WeakPolarHBondContact O-CG2 3.33Å; L179-I183 PolarHBondContact O-N 3.38Å; I183-R185 VanDerWaalsContact C-N 3.29Å; I183-R185 PolarHBondContact O-N 2.94Å
184	C	93.8	Very high	94.2	Very high	4 Å²	4	71.9 Å²	71.9	3%	0.027	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.2	179.5	-63.5	0	0	0	0	113.9	L179 H180 N182 R187 A188 L189 V190	L179-C184 VanDerWaalsContact O-CB 3.28Å; L179-C184 WeakPolarHBondContact O-CB 3.41Å; L179-C184 PolarHBondContact O-N 3.21Å; L179-C184 VanDerWaalsContact O-N 3.08Å; L179-C184 PolarHBondContact O-SG 2.89Å; H180-C184 WeakPolarHBondContact O-CB 3.46Å; N182-C184 PolarHBondContact O-N 2.95Å; N182-C184 VanDerWaalsContact O-N 3.16Å; C184-R187 CarbonylContact O-C 3.21Å; C184-R187 PolarHBondContact O-N 3.4Å; C184-A188 PolarHBondContact O-N 3.48Å; C184-A188 VanDerWaalsContact O-N 3.16Å; C184-L189 PolarHBondContact O-N 3.08Å; C184-V190 HydrophobicContact CB-CB 4.2Å; C184-V190 VanDerWaalsContact CB-O 3.23Å; C184-V190 WeakPolarHBondContact CB-O 3.33Å
185	R	93.4	Very high	94.2	Very high	179 Å²	179	75.7 Å²	75.7	68%	0.675	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	64.9	-176.1	-63.5	-168.9	176	-166.7	-2.8	113.5	N182 I183 R187 A188 L189	N182-R185 PolarHBondContact O-N 3.5Å; I183-R185 VanDerWaalsContact C-N 3.29Å; I183-R185 PolarHBondContact O-N 2.94Å; R185-R187 PolarHBondContact O-N 2.97Å; R185-A188 HydrophobicContact CB-CB 4.41Å; R185-A188 WeakPolarHBondContact O-CB 3.4Å; R185-A188 PolarHBondContact O-N 2.86Å; R185-L189 HydrophobicContact CB-CD1 4.37Å; R185-L189 HydrophobicContact CB-CG 4.27Å; R185-L189 HydrophobicContact CG-CD1 3.89Å; R185-L189 HydrophobicContact CG-CG 4.32Å
186	K	94.1	Very high	94.2	Very high	179 Å²	179	78 Å²	78	78%	0.778	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	45	-176.5	-57.9	-177.5	179.8	-177.5	0	112	H180 A188	H180-K186 WeakPolarHBondContact O-CA 3.12Å; H180-K186 PolarHBondContact O-N 3.42Å; K186-A188 PolarHBondContact O-N 2.93Å; K186-A188 VanDerWaalsContact O-N 3.16Å
187	R	95.9	Very high	94.1	Very high	114 Å²	114	78.3 Å²	78.3	43%	0.43	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	5.1	-178.3	-50.1	172.5	-171.1	166	3.4	115.8	R151 E177 H180 C184 R185 L189 V190 A191	R151-R187 PolarHBondContact NH2-O 3.38Å; E177-R187 IonicContact OE2-CZ 2.73Å; E177-R187 IonicContact OE2-NH2 2.83Å; E177-R187 PolarHBondContact OE2-NH2 3.44Å; H180-R187 HydrophobicContact CB-CG 3.82Å; H180-R187 PolarHBondContact ND1-NE 3.38Å; H180-R187 PolarHBondContact ND1-NH2 3.18Å; H180-R187 PolarHBondContact O-N 3.14Å; C184-R187 CarbonylContact O-C 3.21Å; C184-R187 PolarHBondContact O-N 3.4Å; R185-R187 PolarHBondContact O-N 2.97Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.2Å; R187-V190 VanDerWaalsContact CA-O 3.29Å; R187-V190 WeakPolarHBondContact CA-O 3.47Å; R187-A191 HydrophobicContact CB-CB 4.44Å
188	A	93.5	Very high	94	Very high	75 Å²	75	82.5 Å²	82.5	62%	0.62	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-38.4	179.7	0	0	0	0	0	112	C184 R185 K186	C184-A188 PolarHBondContact O-N 3.48Å; C184-A188 VanDerWaalsContact O-N 3.16Å; R185-A188 HydrophobicContact CB-CB 4.41Å; R185-A188 WeakPolarHBondContact O-CB 3.4Å; R185-A188 PolarHBondContact O-N 2.86Å; K186-A188 PolarHBondContact O-N 2.93Å; K186-A188 VanDerWaalsContact O-N 3.16Å
189	L	93	Very high	94.1	Very high	111 Å²	111	85 Å²	85	58%	0.581	45%	0.453	S	S	*	.	S	Bend	trans	-91.9	-47.6	-179.9	-61.2	-178.8	0	0	0	112.4	C184 R185 R187	C184-L189 PolarHBondContact O-N 3.08Å; R185-L189 HydrophobicContact CB-CD1 4.37Å; R185-L189 HydrophobicContact CB-CG 4.27Å; R185-L189 HydrophobicContact CG-CD1 3.89Å; R185-L189 HydrophobicContact CG-CG 4.32Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.2Å
190	V	95.5	Very high	94	Very high	77 Å²	77	87.2 Å²	87.2	47%	0.467	46%	0.464	S	S	.	.			trans	-136.2	134.5	-175.8	174.7	0	0	0	0	109	C184 R187 I192	C184-V190 HydrophobicContact CB-CB 4.2Å; C184-V190 VanDerWaalsContact CB-O 3.23Å; C184-V190 WeakPolarHBondContact CB-O 3.33Å; R187-V190 VanDerWaalsContact CA-O 3.29Å; R187-V190 WeakPolarHBondContact CA-O 3.47Å; V190-I192 HydrophobicContact CG1-CG1 4.18Å
191	A	95.2	Very high	93.8	Very high	54 Å²	54	92.2 Å²	92.2	45%	0.446	50%	0.499	S	S	.	.			trans	-114.5	135.2	167.5	0	0	0	0	0	108.3	R151 R187	R151-A191 VanDerWaalsContact NH1-CB 3.28Å; R187-A191 HydrophobicContact CB-CB 4.44Å
192	I	96.5	Very high	93.6	Very high	63 Å²	63	89 Å²	89	32%	0.323	49%	0.494	S	S	.	.			trans	-112.1	125.3	178.3	-51.3	169.7	0	0	0	106.1	Q176 L179 H180 V190	Q176-I192 HydrophobicContact CG-CB 4.2Å; Q176-I192 HydrophobicContact CG-CG2 4.36Å; Q176-I192 PolarHBondContact NE2-O 2.91Å; L179-I192 HydrophobicContact CB-CD1 4.14Å; L179-I192 HydrophobicContact CD1-CD1 4.05Å; H180-I192 PolarHBondContact CE1-O 2.75Å; H180-I192 VanDerWaalsContact NE2-CB 3.33Å; H180-I192 WeakPolarHBondContact NE2-CB 3.5Å; H180-I192 PolarHBondContact NE2-N 3.31Å; H180-I192 PolarHBondContact NE2-O 3.28Å; V190-I192 HydrophobicContact CG1-CG1 4.18Å
193	G	95.4	Very high	93.7	Very high	53 Å²	53	90.9 Å²	90.9	55%	0.546	51%	0.509	S	S	.	.			trans	-119.8	142	174.6	0	0	0	0	0	110
194	T	95.4	Very high	93.8	Very high	60 Å²	60	90.3 Å²	90.3	37%	0.368	50%	0.504	S	S	.	.			trans	-121.6	129.3	178.5	56.4	0	0	0	0	108.5	F172	F172-T194 HydrophobicContact CE1-CG2 3.52Å; F172-T194 HydrophobicContact CZ-CG2 3.39Å
195	H	94.9	Very high	93.8	Very high	149 Å²	149	95 Å²	95	69%	0.69	53%	0.533	S	S	*	.			trans	-129.3	143.7	-175.3	-59.3	-78.2	0	0	0	109.9	L197 L200	H195-L197 PolarHBondContact O-N 3.01Å; H195-L200 HydrophobicContact CB-CD1 3.86Å
196	D	94.4	Very high	93.7	Very high	96 Å²	96	91.2 Å²	91.2	51%	0.513	52%	0.519	S	S	.	.			trans	-75.9	109.2	169.6	-173.3	-6.4	0	0	0	109.2	D198 T199	D196-D198 PolarHBondContact O-N 3.27Å; D196-D198 PolarHBondContact OD1-N 3.2Å; D196-T199 HydrophobicContact CB-CG2 4.1Å; D196-T199 PolarHBondContact O-N 2.85Å; D196-T199 PolarHBondContact O-OG1 3.14Å
197	L	93.7	Very high	93.7	Very high	41 Å²	41	86.9 Å²	86.9	22%	0.215	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-66.1	-25.2	-177.6	-175.2	61.7	0	0	0	112.2	Q139 V158 H195 T199 L200 F204	Q139-L197 HydrophobicContact CG-CD2 4.39Å; V158-L197 HydrophobicContact CG1-CD2 3.63Å; V158-L197 HydrophobicContact CG2-CD2 4.12Å; H195-L197 PolarHBondContact O-N 3.01Å; L197-T199 PolarHBondContact O-N 3.38Å; L197-L200 PolarHBondContact O-N 3.15Å; L197-F204 HydrophobicContact CD1-CE2 4.19Å; L197-F204 HydrophobicContact CD1-CZ 3.95Å
198	D	92.8	Very high	93.6	Very high	155 Å²	155	85.4 Å²	85.4	83%	0.829	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-70.6	-16.6	-179.1	-66.5	-19.1	0	0	0	111.6	D196	D196-D198 PolarHBondContact O-N 3.27Å; D196-D198 PolarHBondContact OD1-N 3.2Å
199	T	95.1	Very high	93.6	Very high	101 Å²	101	86 Å²	86	62%	0.62	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-94.4	-5.8	178.6	69.4	0	0	0	0	113.9	D196 L197	D196-T199 HydrophobicContact CB-CG2 4.1Å; D196-T199 PolarHBondContact O-N 2.85Å; D196-T199 PolarHBondContact O-OG1 3.14Å; L197-T199 PolarHBondContact O-N 3.38Å
200	L	92.7	Very high	93.6	Very high	80 Å²	80	84.5 Å²	84.5	42%	0.419	50%	0.5	S	S	.	.			trans	-132	152.5	-170.1	-59.2	171.6	0	0	0	111.1	H195 L197 F204	H195-L200 HydrophobicContact CB-CD1 3.86Å; L197-L200 PolarHBondContact O-N 3.15Å; L200-F204 HydrophobicContact CB-CE1 3.95Å; L200-F204 HydrophobicContact CB-CZ 4.14Å; L200-F204 HydrophobicContact CD1-CE1 4.41Å
201	S	90.3	Very high	93.5	Very high	109 Å²	109	85 Å²	85	76%	0.762	50%	0.502	S	S	*	.			trans	-129.6	137.9	173.4	55.3	0	0	0	0	110.4
202	G	87.3	Confident	93.4	Very high	35 Å²	35	87.1 Å²	87.1	36%	0.361	51%	0.505	S	S	.	.	S	Bend	trans	-88.8	-178.7	179.7	0	0	0	0	0	113.1
203	P	91.4	Very high	93.2	Very high	99 Å²	99	88.8 Å²	88.8	64%	0.643	52%	0.518	S	S	*	.			cis	-71.5	149	3.1	29.9	-35.3	0	0	0	113.1
204	F	95.1	Very high	93	Very high	63 Å²	63	91.5 Å²	91.5	28%	0.276	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	145.7	178.5	-57.1	-77.2	0	0	0	110.4	K140 L141 V142 L197 L200	K140-F204 PolarHBondContact O-N 3.06Å; L141-F204 CarbonylContact C-O 3.58Å; L141-F204 WeakPolarHBondContact CA-O 3.29Å; L141-F204 HydrophobicContact CD1-CB 3.69Å; V142-F204 PolarHBondContact N-O 2.92Å; L197-F204 HydrophobicContact CD1-CE2 4.19Å; L197-F204 HydrophobicContact CD1-CZ 3.95Å; L200-F204 HydrophobicContact CB-CE1 3.95Å; L200-F204 HydrophobicContact CB-CZ 4.14Å; L200-F204 HydrophobicContact CD1-CE1 4.41Å
205	T	94.3	Very high	92.8	Very high	101 Å²	101	94.2 Å²	94.2	62%	0.62	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.9	177.4	-53	0	0	0	0	109.3	V142 T144	V142-T205 CarbonylContact O-C 3.54Å; V142-T205 WeakPolarHBondContact O-CA 3.4Å; T144-T205 HydrophobicContact CG2-CG2 3.4Å
206	Y	91.9	Very high	92.6	Very high	101 Å²	101	89.2 Å²	89.2	40%	0.396	51%	0.514	S	S	.	.			trans	-109.5	0	172.2	-175.1	-113.5	0	0	0	109.9	V142 I143 T144 T147 R151 A154	V142-Y206 PolarHBondContact O-N 2.88Å; I143-Y206 WeakPolarHBondContact CA-O 3.28Å; I143-Y206 HydrophobicContact CG1-CD1 4.29Å; I143-Y206 HydrophobicContact CG2-CD1 4.23Å; T144-Y206 PolarHBondContact N-O 2.89Å; T147-Y206 VanDerWaalsContact CG2-C 3.48Å; T147-Y206 HydrophobicContact CG2-CD1 4.03Å; T147-Y206 HydrophobicContact CG2-CE1 4.22Å; T147-Y206 WeakPolarHBondContact CG2-O 3.44Å; T147-Y206 WeakPolarHBondContact CG2-OXT 2.87Å; R151-Y206 HydrophobicContact CB-CE1 4.31Å; R151-Y206 WeakPolarHBondContact CB-OH 3.46Å; R151-Y206 VanDerWaalsContact CD-OH 3.24Å; R151-Y206 WeakPolarHBondContact CD-OH 3.33Å; R151-Y206 WeakPolarHBondContact O-CE1 3.49Å; A154-Y206 HydrophobicContact CB-CD1 3.45Å; A154-Y206 VanDerWaalsContact CB-CD1 3.45Å; A154-Y206 HydrophobicContact CB-CD2 4.32Å; A154-Y206 HydrophobicContact CB-CE1 3.71Å; A154-Y206 HydrophobicContact CB-CG 3.78Å

Retrieved 206 of 206 residues in 162.7 ms (Link to these results)

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