A0A077Z704_TRITR Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A077Z704, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 193 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	52.9	Low	60.9	Low	165 Å²	165	74.2 Å²	74.2	81%	0.813	36%	0.36	S	S	*	.				0	-61.1	0	-153	161.3	-93.4	0	0	112.7	L3 W4 D5	M1-L3 PolarHBondContact O-N 2.64Å; M1-W4 WeakPolarHBondContact O-CB 3.38Å; M1-W4 PolarHBondContact O-N 3.39Å; M1-D5 WeakPolarHBondContact CG-OD2 3.29Å; M1-D5 PolarHBondContact O-N 3.31Å
2	W	59.2	Low	61.2	Low	199 Å²	199	72.2 Å²	72.2	75%	0.754	36%	0.359	S	S	*	.	H	α-helix	trans	-56.2	-45.4	-177.3	-172.4	74.3	0	0	0	115.6	W4 W6	W2-W4 VanDerWaalsContact C-N 3.25Å; W2-W4 PolarHBondContact O-N 3.19Å; W2-W6 WeakPolarHBondContact O-CB 3.49Å; W2-W6 PolarHBondContact O-N 3.16Å
3	L	55	Low	61.3	Low	73 Å²	73	73.5 Å²	73.5	38%	0.382	38%	0.38	S	S	.	.	H	α-helix	trans	-62.5	-34	176.3	-78.1	169.5	0	0	0	112.1	M1 W6 F7	M1-L3 PolarHBondContact O-N 2.64Å; L3-W6 HydrophobicContact CD2-CE3 4.41Å; L3-W6 HydrophobicContact CD2-CZ3 4.43Å; L3-F7 WeakPolarHBondContact O-CA 3.41Å; L3-F7 WeakPolarHBondContact O-CB 3.3Å; L3-F7 PolarHBondContact O-N 3.09Å
4	W	59.6	Low	61.2	Low	56 Å²	56	72.1 Å²	72.1	21%	0.212	37%	0.373	C	S	.	.	H	α-helix	trans	-73.2	-47.4	-179.4	-78.3	114.3	0	0	0	112.5	M1 W2 W6 F7 S8 L40 D43 L61	M1-W4 WeakPolarHBondContact O-CB 3.38Å; M1-W4 PolarHBondContact O-N 3.39Å; W2-W4 VanDerWaalsContact C-N 3.25Å; W2-W4 PolarHBondContact O-N 3.19Å; W4-W6 VanDerWaalsContact C-N 3.29Å; W4-W6 PolarHBondContact O-N 3.18Å; W4-F7 HydrophobicContact CE3-CD1 4.45Å; W4-F7 HydrophobicContact CZ3-CD1 4.18Å; W4-F7 PolarHBondContact O-N 2.94Å; W4-S8 WeakPolarHBondContact O-CB 3.39Å; W4-S8 PolarHBondContact O-N 3.41Å; W4-S8 PolarHBondContact O-OG 3.48Å; W4-L40 VanDerWaalsContact CH2-CA 3.47Å; W4-L40 HydrophobicContact CH2-CB 4Å; W4-L40 HydrophobicContact CH2-CD2 3.68Å; W4-L40 HydrophobicContact CH2-CG 4.44Å; W4-L40 WeakPolarHBondContact CH2-O 3.46Å; W4-L40 VanDerWaalsContact CZ2-CA 3.45Å; W4-L40 HydrophobicContact CZ2-CB 4.43Å; W4-L40 HydrophobicContact CZ2-CD2 4.21Å; W4-L40 WeakPolarHBondContact CZ2-O 3.32Å; W4-D43 PolarHBondContact NE1-OD1 3.03Å; W4-D43 VanDerWaalsContact NE1-OD1 3.09Å; W4-L61 HydrophobicContact CH2-CD2 3.71Å; W4-L61 HydrophobicContact CZ3-CD2 3.51Å
5	D	66	Low	61	Low	98 Å²	98	70.9 Å²	70.9	52%	0.524	39%	0.385	S	S	.	.	H	α-helix	trans	-65	-38.8	178.3	-58.3	-32.4	0	0	0	110.6	M1 S8 S9	M1-D5 WeakPolarHBondContact CG-OD2 3.29Å; M1-D5 PolarHBondContact O-N 3.31Å; D5-S8 WeakPolarHBondContact CA-OG 3.46Å; D5-S8 PolarHBondContact O-OG 2.62Å; D5-S9 VanDerWaalsContact O-CB 3.3Å; D5-S9 WeakPolarHBondContact O-CB 3.04Å; D5-S9 PolarHBondContact O-N 3.43Å
6	W	64.4	Low	61	Low	76 Å²	76	66.9 Å²	66.9	29%	0.288	36%	0.363	S	S	.	.	H	α-helix	trans	-69.2	-48	174.4	168.8	84.7	0	0	0	112.5	W2 L3 W4 S8 S9 V10 R186	W2-W6 WeakPolarHBondContact O-CB 3.49Å; W2-W6 PolarHBondContact O-N 3.16Å; L3-W6 HydrophobicContact CD2-CE3 4.41Å; L3-W6 HydrophobicContact CD2-CZ3 4.43Å; W4-W6 VanDerWaalsContact C-N 3.29Å; W4-W6 PolarHBondContact O-N 3.18Å; W6-S8 PolarHBondContact O-N 3.44Å; W6-S9 WeakPolarHBondContact O-CB 3.41Å; W6-S9 PolarHBondContact O-N 3.15Å; W6-S9 VanDerWaalsContact O-N 3.15Å; W6-V10 HydrophobicContact CD2-CG2 4.45Å; W6-V10 WeakPolarHBondContact O-CG2 3.3Å; W6-V10 PolarHBondContact O-N 3.42Å; W6-R186 VanDerWaalsContact CZ2-NH1 3.3Å
7	F	62.5	Low	60.8	Low	12 Å²	12	71.5 Å²	71.5	5%	0.053	38%	0.375	C	S	.	.	H	α-helix	trans	-62.3	-38.8	-179.3	-178.2	-112.8	0	0	0	110	L3 W4 V10 L11 L61 F185	L3-F7 WeakPolarHBondContact O-CA 3.41Å; L3-F7 WeakPolarHBondContact O-CB 3.3Å; L3-F7 PolarHBondContact O-N 3.09Å; W4-F7 HydrophobicContact CE3-CD1 4.45Å; W4-F7 HydrophobicContact CZ3-CD1 4.18Å; W4-F7 PolarHBondContact O-N 2.94Å; F7-V10 PolarHBondContact O-N 3.45Å; F7-L11 HydrophobicContact CD1-CD1 4.02Å; F7-L11 HydrophobicContact CE1-CD1 3.44Å; F7-L11 VanDerWaalsContact CE1-CD1 3.44Å; F7-L11 HydrophobicContact CE1-CG 4.34Å; F7-L11 HydrophobicContact CE2-CD1 4.23Å; F7-L11 HydrophobicContact CE2-CD2 4.46Å; F7-L11 HydrophobicContact CE2-CG 4.38Å; F7-L11 HydrophobicContact CZ-CD1 3.53Å; F7-L11 HydrophobicContact CZ-CD2 4.35Å; F7-L11 HydrophobicContact CZ-CG 4.15Å; F7-L11 WeakPolarHBondContact O-CG 3.37Å; F7-L11 PolarHBondContact O-N 3.21Å; F7-L11 VanDerWaalsContact O-N 3.09Å; F7-L61 HydrophobicContact CE1-CB 3.86Å; F7-L61 HydrophobicContact CE1-CD1 4.23Å; F7-L61 HydrophobicContact CE1-CD2 3.95Å; F7-L61 HydrophobicContact CE1-CG 4.2Å; F7-F185 HydrophobicContact CE2-CB 3.62Å; F7-F185 HydrophobicContact CZ-CB 3.49Å; F7-F185 VanDerWaalsContact CZ-CB 3.49Å; F7-F185 HydrophobicContact CZ-CG 4.26Å
8	S	63.2	Low	60.9	Low	40 Å²	40	76.7 Å²	76.7	28%	0.28	39%	0.394	S	S	.	.	H	α-helix	trans	-67.1	-38.7	174.4	61.2	0	0	0	0	114.5	W4 D5 W6 V10 L11 S12 G62	W4-S8 WeakPolarHBondContact O-CB 3.39Å; W4-S8 PolarHBondContact O-N 3.41Å; W4-S8 PolarHBondContact O-OG 3.48Å; D5-S8 WeakPolarHBondContact CA-OG 3.46Å; D5-S8 PolarHBondContact O-OG 2.62Å; W6-S8 PolarHBondContact O-N 3.44Å; S8-V10 VanDerWaalsContact C-N 3.31Å; S8-V10 PolarHBondContact O-N 2.84Å; S8-L11 PolarHBondContact O-N 2.87Å; S8-S12 WeakPolarHBondContact O-CB 3.16Å; S8-S12 PolarHBondContact O-N 3.18Å; S8-S12 PolarHBondContact O-OG 3.01Å; S8-G62 VanDerWaalsContact CB-CA 3.42Å
9	S	62.9	Low	61.3	Low	73 Å²	73	76.5 Å²	76.5	51%	0.51	39%	0.39	S	S	.	.	H	α-helix	trans	-61.1	-39.8	172.1	-179.4	0	0	0	0	112	D5 W6 S12 S13	D5-S9 VanDerWaalsContact O-CB 3.3Å; D5-S9 WeakPolarHBondContact O-CB 3.04Å; D5-S9 PolarHBondContact O-N 3.43Å; W6-S9 WeakPolarHBondContact O-CB 3.41Å; W6-S9 PolarHBondContact O-N 3.15Å; W6-S9 VanDerWaalsContact O-N 3.15Å; S9-S12 WeakPolarHBondContact CA-OG 3.38Å; S9-S12 PolarHBondContact O-OG 2.97Å; S9-S13 WeakPolarHBondContact O-CB 3.29Å; S9-S13 PolarHBondContact O-N 3.31Å
10	V	60.6	Low	61.9	Low	22 Å²	22	77.8 Å²	77.8	13%	0.133	41%	0.406	C	S	.	.	H	α-helix	trans	-67.4	-47.5	178.2	177.9	0	0	0	0	111.6	W6 F7 S8 S12 S13 L14 R186	W6-V10 HydrophobicContact CD2-CG2 4.45Å; W6-V10 WeakPolarHBondContact O-CG2 3.3Å; W6-V10 PolarHBondContact O-N 3.42Å; F7-V10 PolarHBondContact O-N 3.45Å; S8-V10 VanDerWaalsContact C-N 3.31Å; S8-V10 PolarHBondContact O-N 2.84Å; V10-S12 PolarHBondContact O-N 2.97Å; V10-S13 WeakPolarHBondContact O-CB 3.36Å; V10-S13 PolarHBondContact O-N 2.87Å; V10-S13 PolarHBondContact O-OG 3.1Å; V10-L14 PolarHBondContact O-N 2.87Å; V10-R186 HydrophobicContact CG1-CG 3.56Å
11	L	63.3	Low	63	Low	2 Å²	2	74.5 Å²	74.5	1%	0.01	39%	0.391	C	S	.	.	H	α-helix	trans	-66.7	-38.8	-179	-63.2	-176.8	0	0	0	112.7	F7 S8 S13 L14 L16 L61 G62 M64 A189	F7-L11 HydrophobicContact CD1-CD1 4.02Å; F7-L11 HydrophobicContact CE1-CD1 3.44Å; F7-L11 VanDerWaalsContact CE1-CD1 3.44Å; F7-L11 HydrophobicContact CE1-CG 4.34Å; F7-L11 HydrophobicContact CE2-CD1 4.23Å; F7-L11 HydrophobicContact CE2-CD2 4.46Å; F7-L11 HydrophobicContact CE2-CG 4.38Å; F7-L11 HydrophobicContact CZ-CD1 3.53Å; F7-L11 HydrophobicContact CZ-CD2 4.35Å; F7-L11 HydrophobicContact CZ-CG 4.15Å; F7-L11 WeakPolarHBondContact O-CG 3.37Å; F7-L11 PolarHBondContact O-N 3.21Å; F7-L11 VanDerWaalsContact O-N 3.09Å; S8-L11 PolarHBondContact O-N 2.87Å; L11-S13 VanDerWaalsContact C-N 3.3Å; L11-S13 PolarHBondContact O-N 2.84Å; L11-L14 HydrophobicContact CD2-CD1 4.43Å; L11-L14 PolarHBondContact O-N 3.09Å; L11-L14 VanDerWaalsContact O-N 3.16Å; L11-L16 HydrophobicContact CD2-CD1 4.45Å; L11-L16 PolarHBondContact O-N 3.29Å; L11-L61 VanDerWaalsContact CD1-C 3.4Å; L11-L61 HydrophobicContact CD1-CB 3.83Å; L11-L61 WeakPolarHBondContact CD1-O 3.44Å; L11-G62 WeakPolarHBondContact CB-O 3.36Å; L11-M64 HydrophobicContact CB-CE 4.26Å; L11-M64 HydrophobicContact CD1-CE 3.87Å; L11-M64 HydrophobicContact CD2-CE 3.9Å; L11-M64 HydrophobicContact CG-CE 4.24Å; L11-A189 HydrophobicContact CD2-CB 3.09Å
12	S	64.6	Low	64.9	Low	50 Å²	50	68.5 Å²	68.5	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-37.2	172.4	56.3	0	0	0	0	112	S8 S9 V10 L14 G15 G62	S8-S12 WeakPolarHBondContact O-CB 3.16Å; S8-S12 PolarHBondContact O-N 3.18Å; S8-S12 PolarHBondContact O-OG 3.01Å; S9-S12 WeakPolarHBondContact CA-OG 3.38Å; S9-S12 PolarHBondContact O-OG 2.97Å; V10-S12 PolarHBondContact O-N 2.97Å; S12-L14 PolarHBondContact O-N 3.47Å; S12-G15 PolarHBondContact O-N 2.98Å; S12-G15 VanDerWaalsContact O-N 3.09Å; S12-G62 PolarHBondContact N-O 2.82Å
13	S	62.9	Low	66.5	Low	90 Å²	90	59.1 Å²	59.1	63%	0.629	33%	0.325	S	S	*	.	H	α-helix	trans	-66.2	-22.1	175.2	79.7	0	0	0	0	114.2	S9 V10 L11 G15	S9-S13 WeakPolarHBondContact O-CB 3.29Å; S9-S13 PolarHBondContact O-N 3.31Å; V10-S13 WeakPolarHBondContact O-CB 3.36Å; V10-S13 PolarHBondContact O-N 2.87Å; V10-S13 PolarHBondContact O-OG 3.1Å; L11-S13 VanDerWaalsContact C-N 3.3Å; L11-S13 PolarHBondContact O-N 2.84Å; S13-G15 PolarHBondContact O-N 3.45Å
14	L	59.2	Low	68.4	Low	54 Å²	54	55.6 Å²	55.6	28%	0.283	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	4.8	174.1	-65.8	175.6	0	0	0	112.8	V10 L11 S12 L16 A189 Q190	V10-L14 PolarHBondContact O-N 2.87Å; L11-L14 HydrophobicContact CD2-CD1 4.43Å; L11-L14 PolarHBondContact O-N 3.09Å; L11-L14 VanDerWaalsContact O-N 3.16Å; S12-L14 PolarHBondContact O-N 3.47Å; L14-L16 HydrophobicContact CB-CD1 3.85Å; L14-L16 HydrophobicContact CB-CG 3.95Å; L14-L16 HydrophobicContact CD1-CD1 4.22Å; L14-L16 PolarHBondContact O-N 3.46Å; L14-A189 HydrophobicContact CD1-CB 4.06Å; L14-Q190 HydrophobicContact CD1-CG 4.14Å
15	G	59	Low	70.2	Confident	54 Å²	54	53 Å²	53	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	14.4	-179.3	0	0	0	0	0	113.6	S12 S13 Y17	S12-G15 PolarHBondContact O-N 2.98Å; S12-G15 VanDerWaalsContact O-N 3.09Å; S13-G15 PolarHBondContact O-N 3.45Å; G15-Y17 PolarHBondContact O-N 3.5Å
16	L	60.1	Low	71.7	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	27%	0.272	C	S	.	.			trans	-88.2	6.8	-178.4	-54.9	170.5	0	0	0	112.9	L11 L14 K18 K19 M64 A189 I192	L11-L16 HydrophobicContact CD2-CD1 4.45Å; L11-L16 PolarHBondContact O-N 3.29Å; L14-L16 HydrophobicContact CB-CD1 3.85Å; L14-L16 HydrophobicContact CB-CG 3.95Å; L14-L16 HydrophobicContact CD1-CD1 4.22Å; L14-L16 PolarHBondContact O-N 3.46Å; L16-K18 PolarHBondContact O-N 3.35Å; L16-K19 HydrophobicContact CD2-CD 3.95Å; L16-K19 PolarHBondContact O-N 2.96Å; L16-M64 HydrophobicContact CB-CE 3.86Å; L16-M64 HydrophobicContact CB-CG 3.53Å; L16-M64 HydrophobicContact CB-SD 3.46Å; L16-M64 WeakPolarHBondContact CB-SD 3.17Å; L16-M64 HydrophobicContact CD1-CE 3.34Å; L16-M64 HydrophobicContact CD1-SD 3.69Å; L16-M64 HydrophobicContact CD2-SD 4.21Å; L16-M64 HydrophobicContact CG-CE 4.17Å; L16-M64 HydrophobicContact CG-SD 3.96Å; L16-M64 WeakPolarHBondContact O-CG 3.34Å; L16-A189 HydrophobicContact CD1-CB 3.88Å; L16-A189 WeakPolarHBondContact CD1-O 3.3Å; L16-I192 VanDerWaalsContact CD2-O 3.29Å; L16-I192 WeakPolarHBondContact CD2-O 3.43Å
17	Y	58.7	Low	73.3	Confident	145 Å²	145	44.7 Å²	44.7	57%	0.569	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	123.1	177.6	-175.3	-106.8	0	0	0	110.7	G15	G15-Y17 PolarHBondContact O-N 3.5Å
18	K	61.5	Low	75	Confident	165 Å²	165	44.6 Å²	44.6	72%	0.717	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	15.8	-178.9	-60	175.2	169.3	178.3	0	116.6	L16 G63	L16-K18 PolarHBondContact O-N 3.35Å; K18-G63 WeakPolarHBondContact CA-O 3.04Å; K18-G63 PolarHBondContact N-O 3Å
19	K	68.4	Low	76.6	Confident	72 Å²	72	45 Å²	45	31%	0.313	26%	0.257	S	S	.	.			trans	-79.3	153.3	168.1	-59.8	-165.5	-174.8	-179.7	0	111.1	L16 M64 N65 D193	L16-K19 HydrophobicContact CD2-CD 3.95Å; L16-K19 PolarHBondContact O-N 2.96Å; K19-M64 HydrophobicContact CB-CG 4.24Å; K19-M64 VanDerWaalsContact O-CA 3.3Å; K19-M64 WeakPolarHBondContact O-CA 3.47Å; K19-N65 PolarHBondContact O-N 2.89Å; K19-D193 WeakPolarHBondContact CD-O 3.46Å; K19-D193 VanDerWaalsContact CD-OXT 3.29Å; K19-D193 WeakPolarHBondContact CD-OXT 3.41Å; K19-D193 WeakPolarHBondContact CE-OXT 3.13Å; K19-D193 VanDerWaalsContact NZ-C 3.31Å; K19-D193 PolarHBondContact NZ-OXT 2.79Å
20	S	74.3	Confident	78.2	Confident	102 Å²	102	46.1 Å²	46.1	71%	0.713	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.5	171.3	59	0	0	0	0	109.8	N65	S20-N65 CarbonylContact C-O 3.55Å; S20-N65 WeakPolarHBondContact CA-O 3.32Å
21	G	84.9	Confident	79.9	Confident	9 Å²	9	45.1 Å²	45.1	9%	0.093	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	166.8	176	0	0	0	0	0	113.1	N65 F66 T67 D89	G21-N65 PolarHBondContact N-O 3.48Å; G21-F66 CarbonylContact O-C 3.5Å; G21-F66 WeakPolarHBondContact O-CA 3.43Å; G21-T67 PolarHBondContact O-N 3.41Å; G21-D89 WeakPolarHBondContact CA-OD2 3.38Å
22	K	91.7	Very high	81.5	Confident	39 Å²	39	45.5 Å²	45.5	17%	0.17	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.2	174.6	178.8	175.8	174	-168.6	0	109.7	T67 F69 Y84 P86 A87 V88 D89 A90	K22-T67 WeakPolarHBondContact CA-O 3.08Å; K22-F69 HydrophobicContact CD-CD2 4.43Å; K22-F69 HydrophobicContact CD-CE2 3.99Å; K22-F69 HydrophobicContact CG-CD2 4.06Å; K22-F69 HydrophobicContact CG-CE2 3.87Å; K22-Y84 WeakPolarHBondContact CE-O 3.22Å; K22-Y84 PolarHBondContact NZ-O 3.48Å; K22-P86 PolarHBondContact NZ-O 2.75Å; K22-A87 WeakPolarHBondContact CB-O 3.34Å; K22-A87 WeakPolarHBondContact CD-O 3.3Å; K22-V88 HydrophobicContact CD-CG2 3.96Å; K22-V88 HydrophobicContact CG-CG2 4.22Å; K22-D89 PolarHBondContact N-OD2 2.87Å; K22-D89 PolarHBondContact O-N 3.31Å; K22-A90 PolarHBondContact O-N 3.4Å
23	L	93.2	Very high	83	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.1	177.2	-171.8	60	0	0	0	109.8	F25 F66 T67 T68 F69 A90 V92 F185 L188	L23-F25 HydrophobicContact CD2-CD1 4.32Å; L23-F25 HydrophobicContact CD2-CE1 3.48Å; L23-F25 VanDerWaalsContact CD2-CE1 3.48Å; L23-F25 HydrophobicContact CD2-CZ 4.15Å; L23-F25 HydrophobicContact CG-CD1 4.17Å; L23-F25 HydrophobicContact CG-CE1 3.82Å; L23-F66 HydrophobicContact CB-CB 4.3Å; L23-F66 HydrophobicContact CB-CD1 4.32Å; L23-T67 PolarHBondContact N-O 2.88Å; L23-T68 HydrophobicContact CB-CG2 4.18Å; L23-T68 HydrophobicContact CD2-CG2 4.13Å; L23-T68 HydrophobicContact CG-CG2 4.19Å; L23-T68 CarbonylContact O-C 3.54Å; L23-T68 VanDerWaalsContact O-CA 3.29Å; L23-T68 WeakPolarHBondContact O-CA 3.3Å; L23-F69 PolarHBondContact O-N 3.23Å; L23-A90 WeakPolarHBondContact CA-O 3.21Å; L23-A90 HydrophobicContact CD1-CB 3.62Å; L23-A90 VanDerWaalsContact CD1-O 3.23Å; L23-A90 WeakPolarHBondContact CD1-O 3.35Å; L23-V92 HydrophobicContact CD1-CG2 3.73Å; L23-V92 HydrophobicContact CD2-CG2 4.29Å; L23-V92 HydrophobicContact CG-CG2 4.26Å; L23-F185 HydrophobicContact CD2-CE1 3.9Å; L23-L188 HydrophobicContact CD1-CD2 4.16Å
24	V	95.6	Very high	84.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.2	174	-173.8	0	0	0	0	110.1	L26 F69 L71 V88 A90 V92	V24-L26 HydrophobicContact CG1-CD1 4.44Å; V24-L26 HydrophobicContact CG1-CD2 3.5Å; V24-L26 HydrophobicContact CG1-CG 3.79Å; V24-F69 HydrophobicContact CG1-CB 4.49Å; V24-F69 HydrophobicContact CG2-CB 4.41Å; V24-L71 HydrophobicContact CG1-CD1 3.87Å; V24-L71 HydrophobicContact CG1-CG 4.22Å; V24-V88 HydrophobicContact CB-CG1 4.48Å; V24-V88 HydrophobicContact CG2-CB 4.43Å; V24-V88 HydrophobicContact CG2-CG1 3.94Å; V24-V88 HydrophobicContact CG2-CG2 3.5Å; V24-A90 PolarHBondContact N-O 2.81Å; V24-V92 PolarHBondContact O-N 2.94Å
25	F	97	Very high	86.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	116.5	171.9	-72	0.3	0	0	0	109.8	L23 K33 L36 L37 L40 T68 F69 V92 F185	L23-F25 HydrophobicContact CD2-CD1 4.32Å; L23-F25 HydrophobicContact CD2-CE1 3.48Å; L23-F25 VanDerWaalsContact CD2-CE1 3.48Å; L23-F25 HydrophobicContact CD2-CZ 4.15Å; L23-F25 HydrophobicContact CG-CD1 4.17Å; L23-F25 HydrophobicContact CG-CE1 3.82Å; F25-K33 HydrophobicContact CB-CB 4.17Å; F25-K33 HydrophobicContact CB-CD 4.36Å; F25-K33 HydrophobicContact CB-CG 4.46Å; F25-L36 HydrophobicContact CE2-CB 4.29Å; F25-L36 HydrophobicContact CE2-CD2 3.97Å; F25-L36 HydrophobicContact CE2-CG 3.95Å; F25-L36 HydrophobicContact CZ-CD2 4.01Å; F25-L36 HydrophobicContact CZ-CG 4.23Å; F25-L37 HydrophobicContact CD2-CB 4.17Å; F25-L37 HydrophobicContact CE2-CB 3.94Å; F25-L37 HydrophobicContact CE2-CD1 4.24Å; F25-L40 HydrophobicContact CE2-CD1 4.4Å; F25-L40 HydrophobicContact CZ-CD1 3.88Å; F25-T68 HydrophobicContact CD1-CG2 3.94Å; F25-T68 HydrophobicContact CD2-CG2 4.16Å; F25-T68 HydrophobicContact CE1-CG2 3.84Å; F25-T68 HydrophobicContact CE2-CG2 4.04Å; F25-T68 HydrophobicContact CG-CG2 4.11Å; F25-T68 HydrophobicContact CZ-CG2 3.87Å; F25-F69 PolarHBondContact N-O 2.89Å; F25-V92 WeakPolarHBondContact CA-O 3.19Å; F25-V92 HydrophobicContact CD1-CB 3.62Å; F25-V92 HydrophobicContact CD1-CG2 3.89Å; F25-V92 HydrophobicContact CE1-CB 3.72Å; F25-V92 HydrophobicContact CE1-CG1 4.42Å; F25-V92 HydrophobicContact CE1-CG2 3.56Å; F25-F185 AromaticContact CE1-CZ 3.98Å; F25-F185 HydrophobicContact CE1-CZ 3.98Å; F25-F185 AromaticContact CZ-CZ 3.83Å; F25-F185 HydrophobicContact CZ-CZ 3.83Å
26	L	98.2	Very high	87.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	169.4	-179.1	-59.4	-177.4	0	0	0	110.9	V24 K33 L71 W81 F85 I91 V92 F93 L94 L113	V24-L26 HydrophobicContact CG1-CD1 4.44Å; V24-L26 HydrophobicContact CG1-CD2 3.5Å; V24-L26 HydrophobicContact CG1-CG 3.79Å; L26-K33 VanDerWaalsContact O-CD 3.26Å; L26-K33 WeakPolarHBondContact O-CD 3.39Å; L26-L71 HydrophobicContact CD2-CB 4.44Å; L26-L71 HydrophobicContact CD2-CD1 3.62Å; L26-L71 HydrophobicContact CD2-CG 4.27Å; L26-W81 HydrophobicContact CB-CE3 4.47Å; L26-W81 HydrophobicContact CB-CH2 4.31Å; L26-W81 HydrophobicContact CB-CZ2 4.46Å; L26-W81 HydrophobicContact CB-CZ3 4.29Å; L26-W81 HydrophobicContact CD1-CE3 4.28Å; L26-W81 HydrophobicContact CD2-CB 4.26Å; L26-W81 HydrophobicContact CD2-CD2 3.68Å; L26-W81 HydrophobicContact CD2-CE3 4.11Å; L26-W81 HydrophobicContact CD2-CG 3.77Å; L26-F85 HydrophobicContact CD1-CE1 3.83Å; L26-F85 HydrophobicContact CD1-CZ 4.27Å; L26-I91 HydrophobicContact CB-CG2 4.45Å; L26-I91 HydrophobicContact CD1-CG2 3.8Å; L26-I91 HydrophobicContact CG-CG2 4.12Å; L26-V92 PolarHBondContact N-O 3.01Å; L26-F93 HydrophobicContact CB-CD2 3.76Å; L26-F93 HydrophobicContact CB-CE2 4.3Å; L26-F93 CarbonylContact O-C 3.59Å; L26-F93 WeakPolarHBondContact O-CA 2.97Å; L26-L94 PolarHBondContact O-N 2.9Å; L26-L113 HydrophobicContact CD1-CD1 3.82Å; L26-L113 HydrophobicContact CD1-CD2 4.04Å
27	G	98.3	Very high	89.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	123.6	166.5	-176.5	0	0	0	0	0	111.9	K33 G73 W81 L94	G27-K33 PolarHBondContact O-NZ 2.99Å; G27-G73 WeakPolarHBondContact O-CA 3.08Å; G27-W81 VanDerWaalsContact N-CH2 3.31Å; G27-W81 WeakPolarHBondContact O-CZ2 3.4Å; G27-L94 WeakPolarHBondContact CA-O 3.36Å
28	L	98.4	Very high	90.7	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.058	17%	0.17	C	C	.	.	S	Bend	trans	-60.9	164	-174.5	-55.7	-173.1	0	0	0	112.8	A31 K33 R102 E105 A106 E109	L28-A31 VanDerWaalsContact O-CB 3.22Å; L28-A31 WeakPolarHBondContact O-CB 3.39Å; L28-A31 PolarHBondContact O-N 3.35Å; L28-K33 PolarHBondContact O-NZ 3.02Å; L28-R102 HydrophobicContact CD1-CB 3.88Å; L28-E105 HydrophobicContact CD1-CB 3.96Å; L28-E105 HydrophobicContact CD1-CG 3.89Å; L28-E105 HydrophobicContact CD2-CG 3.93Å; L28-A106 HydrophobicContact CD1-CB 3.95Å; L28-A106 HydrophobicContact CG-CB 4.12Å; L28-E109 HydrophobicContact CD2-CG 4Å
29	D	96.1	Very high	92.1	Very high	47 Å²	47	24 Å²	24	25%	0.251	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	149.7	169.3	58.8	-79.3	0	0	0	110.2	A31 G73 H74 R102	D29-A31 PolarHBondContact O-N 3.45Å; D29-A31 VanDerWaalsContact O-N 3.08Å; D29-G73 VanDerWaalsContact N-CA 3.35Å; D29-G73 PolarHBondContact N-O 3.42Å; D29-G73 VanDerWaalsContact N-O 3.14Å; D29-H74 HydrophobicContact CB-CB 4.25Å; D29-R102 VanDerWaalsContact CG-NH1 3.27Å; D29-R102 PolarHBondContact O-NH2 3.38Å; D29-R102 VanDerWaalsContact O-NH2 3.1Å; D29-R102 IonicContact OD1-NH1 2.66Å; D29-R102 PolarHBondContact OD1-NH1 2.86Å; D29-R102 VanDerWaalsContact OD1-NH1 3.08Å; D29-R102 IonicContact OD2-CZ 2.73Å; D29-R102 IonicContact OD2-NH1 3.66Å; D29-R102 PolarHBondContact OD2-NH1 2.85Å; D29-R102 IonicContact OD2-NH2 2.96Å
30	N	95.4	Very high	93	Very high	97 Å²	97	21.1 Å²	21.1	52%	0.519	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	0.1	-174.8	-178.3	53.7	0	0	0	115	G32 D96 K130	N30-G32 PolarHBondContact O-N 2.82Å; N30-G32 VanDerWaalsContact O-N 3.09Å; N30-D96 PolarHBondContact ND2-OD2 3.46Å; N30-K130 PolarHBondContact ND2-NZ 3.27Å; N30-K130 VanDerWaalsContact ND2-NZ 3.13Å; N30-K130 WeakPolarHBondContact O-CE 3.41Å; N30-K130 PolarHBondContact O-NZ 3.43Å; N30-K130 PolarHBondContact OD1-NZ 3.04Å
31	A	97.4	Very high	93.5	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	11%	0.107	C	C	.	.	S	Bend	trans	-62.5	-19.4	176.9	0	0	0	0	0	114.8	L28 D29 L94 N129	L28-A31 VanDerWaalsContact O-CB 3.22Å; L28-A31 WeakPolarHBondContact O-CB 3.39Å; L28-A31 PolarHBondContact O-N 3.35Å; D29-A31 PolarHBondContact O-N 3.45Å; D29-A31 VanDerWaalsContact O-N 3.08Å; A31-L94 HydrophobicContact CB-CB 3.86Å; A31-L94 WeakPolarHBondContact CB-O 3.49Å; A31-N129 PolarHBondContact O-ND2 2.91Å
32	G	96.5	Very high	93.5	Very high	9 Å²	9	23.1 Å²	23.1	9%	0.093	12%	0.12	C	C	.	.	S	Bend	trans	105.4	18.9	175.6	0	0	0	0	0	115.5	N30 T35 L36 L94	N30-G32 PolarHBondContact O-N 2.82Å; N30-G32 VanDerWaalsContact O-N 3.09Å; G32-T35 PolarHBondContact O-N 3.01Å; G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 PolarHBondContact O-N 3.22Å; G32-L94 VanDerWaalsContact C-CD2 3.47Å
33	K	95.7	Very high	93.1	Very high	10 Å²	10	24 Å²	24	4%	0.043	13%	0.127	C	C	.	.	H	α-helix	trans	-60.5	-55.7	-176.8	-56.6	-174.4	-59.3	-77.2	0	112.5	F25 L26 G27 L28 T35 L36 L37 D70 L71 L94	F25-K33 HydrophobicContact CB-CB 4.17Å; F25-K33 HydrophobicContact CB-CD 4.36Å; F25-K33 HydrophobicContact CB-CG 4.46Å; L26-K33 VanDerWaalsContact O-CD 3.26Å; L26-K33 WeakPolarHBondContact O-CD 3.39Å; G27-K33 PolarHBondContact O-NZ 2.99Å; L28-K33 PolarHBondContact O-NZ 3.02Å; K33-T35 VanDerWaalsContact C-N 3.31Å; K33-T35 PolarHBondContact O-N 3.33Å; K33-L36 WeakPolarHBondContact O-CB 3.38Å; K33-L36 PolarHBondContact O-N 2.77Å; K33-L36 VanDerWaalsContact O-N 3.12Å; K33-L37 PolarHBondContact O-N 3.32Å; K33-D70 WeakPolarHBondContact CB-OD1 3.27Å; K33-L71 WeakPolarHBondContact CE-O 3.26Å; K33-L94 HydrophobicContact CG-CB 4.11Å; K33-L94 HydrophobicContact CG-CD1 4.25Å; K33-L94 HydrophobicContact CG-CD2 4.21Å; K33-L94 HydrophobicContact CG-CG 4.42Å
34	T	94.1	Very high	92.5	Very high	23 Å²	23	32.6 Å²	32.6	14%	0.141	16%	0.159	C	C	.	.	H	α-helix	trans	-58.7	-42.6	176.1	-38.8	0	0	0	0	111.7	L36 L37 H38 H48 T51 D70	T34-L36 PolarHBondContact O-N 3.01Å; T34-L37 PolarHBondContact O-N 2.95Å; T34-H38 PolarHBondContact O-CD2 2.76Å; T34-H38 VanDerWaalsContact O-CD2 3.28Å; T34-H38 PolarHBondContact O-N 3.22Å; T34-H48 HydrophobicContact CG2-CB 3.92Å; T34-T51 PolarHBondContact OG1-OG1 2.83Å; T34-T51 VanDerWaalsContact OG1-OG1 3.08Å; T34-D70 WeakPolarHBondContact CA-OD2 3.15Å; T34-D70 VanDerWaalsContact CB-OD2 3.26Å; T34-D70 WeakPolarHBondContact CB-OD2 3.44Å; T34-D70 WeakPolarHBondContact CG2-OD2 3.42Å; T34-D70 PolarHBondContact OG1-OD2 3.39Å
35	T	94.3	Very high	91.8	Very high	34 Å²	34	36.7 Å²	36.7	21%	0.209	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-42.4	176.2	-49.8	0	0	0	0	111.8	G32 K33 M39 V175	G32-T35 PolarHBondContact O-N 3.01Å; K33-T35 VanDerWaalsContact C-N 3.31Å; K33-T35 PolarHBondContact O-N 3.33Å; T35-M39 WeakPolarHBondContact O-CB 3.44Å; T35-M39 PolarHBondContact O-N 3.44Å; T35-V175 HydrophobicContact CG2-CG1 3.8Å
36	L	93.4	Very high	91	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-43.2	175.3	177.8	62.2	0	0	0	110.9	F25 G32 K33 T34 H38 M39 L40 L94 L127 V175 Y181 F185	F25-L36 HydrophobicContact CE2-CB 4.29Å; F25-L36 HydrophobicContact CE2-CD2 3.97Å; F25-L36 HydrophobicContact CE2-CG 3.95Å; F25-L36 HydrophobicContact CZ-CD2 4.01Å; F25-L36 HydrophobicContact CZ-CG 4.23Å; G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 PolarHBondContact O-N 3.22Å; K33-L36 WeakPolarHBondContact O-CB 3.38Å; K33-L36 PolarHBondContact O-N 2.77Å; K33-L36 VanDerWaalsContact O-N 3.12Å; T34-L36 PolarHBondContact O-N 3.01Å; L36-H38 PolarHBondContact O-N 3.32Å; L36-M39 WeakPolarHBondContact O-CB 3.44Å; L36-M39 PolarHBondContact O-N 3.29Å; L36-L40 HydrophobicContact CD1-CD1 3.93Å; L36-L40 HydrophobicContact CD1-CD2 4.48Å; L36-L40 HydrophobicContact CD1-CG 3.97Å; L36-L40 HydrophobicContact CG-CD1 3.9Å; L36-L40 HydrophobicContact CG-CG 4.33Å; L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.23Å; L36-L94 HydrophobicContact CB-CD2 4.25Å; L36-L94 HydrophobicContact CD2-CD1 4Å; L36-L94 HydrophobicContact CD2-CD2 4.03Å; L36-L94 HydrophobicContact CD2-CG 4.45Å; L36-L127 HydrophobicContact CD2-CD1 3.65Å; L36-V175 HydrophobicContact CB-CG1 4.4Å; L36-V175 HydrophobicContact CB-CG2 4.06Å; L36-V175 HydrophobicContact CD1-CG2 4.02Å; L36-Y181 HydrophobicContact CD1-CD1 4.46Å; L36-Y181 HydrophobicContact CD1-CD2 3.95Å; L36-Y181 HydrophobicContact CD1-CE2 4.41Å; L36-Y181 HydrophobicContact CD1-CG 3.99Å; L36-F185 HydrophobicContact CD1-CE2 4.31Å; L36-F185 HydrophobicContact CD2-CE2 4.05Å; L36-F185 HydrophobicContact CD2-CZ 4.34Å
37	L	91.5	Very high	90.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-50.4	179.6	-179	58.6	0	0	0	111.5	F25 K33 T34 L40 K41 E57 L59 T68 D70	F25-L37 HydrophobicContact CD2-CB 4.17Å; F25-L37 HydrophobicContact CE2-CB 3.94Å; F25-L37 HydrophobicContact CE2-CD1 4.24Å; K33-L37 PolarHBondContact O-N 3.32Å; T34-L37 PolarHBondContact O-N 2.95Å; L37-L40 PolarHBondContact O-N 3.06Å; L37-K41 WeakPolarHBondContact O-CB 3.36Å; L37-K41 PolarHBondContact O-N 2.99Å; L37-E57 HydrophobicContact CD1-CB 4.11Å; L37-E57 HydrophobicContact CD2-CB 4.07Å; L37-E57 HydrophobicContact CD2-CG 3.83Å; L37-E57 HydrophobicContact CG-CB 4.31Å; L37-E57 HydrophobicContact CG-CG 4.31Å; L37-L59 HydrophobicContact CD1-CD1 3.69Å; L37-L59 HydrophobicContact CD1-CD2 3.85Å; L37-L59 HydrophobicContact CD1-CG 3.88Å; L37-T68 HydrophobicContact CD1-CG2 3.74Å; L37-D70 HydrophobicContact CD2-CB 3.65Å
38	H	89.9	Confident	89.6	Confident	46 Å²	46	52 Å²	52	21%	0.213	26%	0.259	C	S	.	.	H	α-helix	trans	-70.7	-31.7	177.9	-75.8	-74.8	0	0	0	113.5	T34 L36 L40 K41 D42 H48	T34-H38 PolarHBondContact O-CD2 2.76Å; T34-H38 VanDerWaalsContact O-CD2 3.28Å; T34-H38 PolarHBondContact O-N 3.22Å; L36-H38 PolarHBondContact O-N 3.32Å; H38-L40 VanDerWaalsContact C-N 3.28Å; H38-L40 PolarHBondContact O-N 3.34Å; H38-K41 PolarHBondContact O-N 3.26Å; H38-D42 IonicContact ND1-OD2 2.74Å; H38-D42 PolarHBondContact ND1-OD2 3.41Å; H38-D42 PolarHBondContact O-N 3.25Å; H38-H48 AromaticContact CD2-CE1 3.13Å; H38-H48 PolarHBondContact CD2-CE1 3.38Å; H38-H48 AromaticContact CD2-ND1 3.91Å; H38-H48 AromaticContact CD2-NE2 3.53Å; H38-H48 AromaticContact CG-CE1 3.72Å; H38-H48 AromaticContact CG-NE2 3.94Å; H38-H48 AromaticContact NE2-CE1 3.61Å
39	M	90.1	Very high	89.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-43.2	170.4	178.6	60.5	69.7	0	0	110.6	T35 L36 D43 M45 V175 R178 Y181	T35-M39 WeakPolarHBondContact O-CB 3.44Å; T35-M39 PolarHBondContact O-N 3.44Å; L36-M39 WeakPolarHBondContact O-CB 3.44Å; L36-M39 PolarHBondContact O-N 3.29Å; M39-D43 WeakPolarHBondContact O-CA 3.19Å; M39-D43 PolarHBondContact O-N 2.95Å; M39-M45 HydrophobicContact CE-CG 3.25Å; M39-M45 HydrophobicContact CE-SD 4.02Å; M39-V175 HydrophobicContact CB-CG1 4.08Å; M39-V175 HydrophobicContact CG-CG1 4.32Å; M39-R178 HydrophobicContact CE-CG 3.96Å; M39-R178 HydrophobicContact SD-CG 4.1Å; M39-R178 PolarHBondContact SD-NH1 3.1Å; M39-Y181 WeakPolarHBondContact CG-OH 3.38Å
40	L	87	Confident	88.7	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-71.4	-34.7	178.4	-69.4	173.8	0	0	0	112.8	W4 F25 L36 L37 H38 L59 L61 Y181 F185	W4-L40 VanDerWaalsContact CH2-CA 3.47Å; W4-L40 HydrophobicContact CH2-CB 4Å; W4-L40 HydrophobicContact CH2-CD2 3.68Å; W4-L40 HydrophobicContact CH2-CG 4.44Å; W4-L40 WeakPolarHBondContact CH2-O 3.46Å; W4-L40 VanDerWaalsContact CZ2-CA 3.45Å; W4-L40 HydrophobicContact CZ2-CB 4.43Å; W4-L40 HydrophobicContact CZ2-CD2 4.21Å; W4-L40 WeakPolarHBondContact CZ2-O 3.32Å; F25-L40 HydrophobicContact CE2-CD1 4.4Å; F25-L40 HydrophobicContact CZ-CD1 3.88Å; L36-L40 HydrophobicContact CD1-CD1 3.93Å; L36-L40 HydrophobicContact CD1-CD2 4.48Å; L36-L40 HydrophobicContact CD1-CG 3.97Å; L36-L40 HydrophobicContact CG-CD1 3.9Å; L36-L40 HydrophobicContact CG-CG 4.33Å; L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.23Å; L37-L40 PolarHBondContact O-N 3.06Å; H38-L40 VanDerWaalsContact C-N 3.28Å; H38-L40 PolarHBondContact O-N 3.34Å; L40-L59 HydrophobicContact CB-CD1 4.09Å; L40-L59 HydrophobicContact CB-CD2 4.22Å; L40-L59 HydrophobicContact CD1-CD1 4.14Å; L40-L61 HydrophobicContact CB-CD2 4.46Å; L40-L61 HydrophobicContact CD2-CD2 4.31Å; L40-Y181 HydrophobicContact CD2-CD2 4.49Å; L40-Y181 HydrophobicContact CD2-CE2 4.33Å; L40-F185 HydrophobicContact CD1-CE1 4.21Å; L40-F185 HydrophobicContact CD1-CE2 3.73Å; L40-F185 HydrophobicContact CD1-CZ 3.51Å
41	K	85.1	Confident	88.4	Confident	83 Å²	83	56.1 Å²	56.1	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-81.8	-52.8	-176.9	-170.7	-178	166	179.4	0	112.8	L37 H38 E57 L59	L37-K41 WeakPolarHBondContact O-CB 3.36Å; L37-K41 PolarHBondContact O-N 2.99Å; H38-K41 PolarHBondContact O-N 3.26Å; K41-E57 HydrophobicContact CD-CB 4.23Å; K41-E57 HydrophobicContact CD-CG 4.25Å; K41-E57 IonicContact NZ-OE1 2.61Å; K41-E57 PolarHBondContact NZ-OE1 2.72Å; K41-E57 IonicContact NZ-OE2 2.87Å; K41-E57 PolarHBondContact NZ-OE2 3.06Å; K41-L59 HydrophobicContact CB-CD2 3.6Å; K41-L59 HydrophobicContact CG-CD2 4.14Å
42	D	84.5	Confident	87.8	Confident	70 Å²	70	62 Å²	62	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-112.2	0.3	-162.4	-58.4	-48.4	0	0	0	112.7	H38 R44	H38-D42 IonicContact ND1-OD2 2.74Å; H38-D42 PolarHBondContact ND1-OD2 3.41Å; H38-D42 PolarHBondContact O-N 3.25Å; D42-R44 HydrophobicContact CB-CB 4.06Å; D42-R44 HydrophobicContact CB-CG 4.2Å; D42-R44 WeakPolarHBondContact O-CG 2.95Å; D42-R44 PolarHBondContact O-N 3.37Å; D42-R44 VanDerWaalsContact O-N 3.11Å
43	D	83.7	Confident	87.4	Confident	59 Å²	59	68.3 Å²	68.3	32%	0.316	35%	0.349	S	S	.	.	S	Bend	trans	54.1	24.9	-169.7	-154.2	29.5	0	0	0	112.4	W4 M39 R178	W4-D43 PolarHBondContact NE1-OD1 3.03Å; W4-D43 VanDerWaalsContact NE1-OD1 3.09Å; M39-D43 WeakPolarHBondContact O-CA 3.19Å; M39-D43 PolarHBondContact O-N 2.95Å; D43-R178 PolarHBondContact O-NH2 3.49Å; D43-R178 IonicContact OD1-CZ 2.97Å; D43-R178 IonicContact OD1-NH1 3.61Å; D43-R178 PolarHBondContact OD1-NH1 3.14Å; D43-R178 IonicContact OD1-NH2 2.64Å
44	R	81.5	Confident	87.2	Confident	182 Å²	182	70 Å²	70	69%	0.687	36%	0.361	S	S	*	.			trans	-113.3	145.7	-172	-78.2	174	-170.8	-168.1	1.9	112.5	D42	D42-R44 HydrophobicContact CB-CB 4.06Å; D42-R44 HydrophobicContact CB-CG 4.2Å; D42-R44 WeakPolarHBondContact O-CG 2.95Å; D42-R44 PolarHBondContact O-N 3.37Å; D42-R44 VanDerWaalsContact O-N 3.11Å
45	M	80.2	Confident	87.1	Confident	86 Å²	86	72 Å²	72	42%	0.424	37%	0.373	S	S	.	.			trans	-102.1	122.9	170.3	-78	-149.8	58.5	0	0	110	M39 L176	M39-M45 HydrophobicContact CE-CG 3.25Å; M39-M45 HydrophobicContact CE-SD 4.02Å; M45-L176 HydrophobicContact CE-CB 4.23Å; M45-L176 HydrophobicContact CE-CD1 3.16Å; M45-L176 HydrophobicContact CE-CG 4.24Å; M45-L176 HydrophobicContact SD-CD1 3.75Å; M45-L176 VanDerWaalsContact SD-O 3.38Å
46	A	80.3	Confident	87	Confident	50 Å²	50	73.5 Å²	73.5	41%	0.413	39%	0.385	S	S	.	.			trans	-136	151.4	168.8	0	0	0	0	0	110.2	H48	A46-H48 PolarHBondContact O-CD2 3.31Å; A46-H48 PolarHBondContact O-NE2 2.9Å
47	Q	79.8	Confident	86.8	Confident	202 Å²	202	76.1 Å²	76.1	94%	0.944	40%	0.397	S	S	*	.			trans	-78.4	132.1	163.2	-71.9	-177.5	-9.5	0	0	107.7
48	H	87	Confident	86.7	Confident	68 Å²	68	81.1 Å²	81.1	32%	0.315	42%	0.421	S	S	.	.			trans	-114.7	137.9	179.8	-63.2	-84.6	0	0	0	109.4	T34 H38 A46	T34-H48 HydrophobicContact CG2-CB 3.92Å; H38-H48 AromaticContact CD2-CE1 3.13Å; H38-H48 PolarHBondContact CD2-CE1 3.38Å; H38-H48 AromaticContact CD2-ND1 3.91Å; H38-H48 AromaticContact CD2-NE2 3.53Å; H38-H48 AromaticContact CG-CE1 3.72Å; H38-H48 AromaticContact CG-NE2 3.94Å; H38-H48 AromaticContact NE2-CE1 3.61Å; A46-H48 PolarHBondContact O-CD2 3.31Å; A46-H48 PolarHBondContact O-NE2 2.9Å
49	V	87.5	Confident	86.3	Confident	124 Å²	124	79 Å²	79	75%	0.752	41%	0.411	S	S	*	.			trans	-71.7	159.6	167.6	-63.5	0	0	0	0	109.6	T51	V49-T51 PolarHBondContact O-N 2.68Å
50	P	88.5	Confident	85.6	Confident	94 Å²	94	83 Å²	83	61%	0.61	44%	0.439	S	S	*	.			trans	-52.9	129	177.7	-27.6	35.7	0	0	0	112.7	L52	P50-L52 PolarHBondContact O-N 2.9Å; P50-L52 VanDerWaalsContact O-N 3.17Å
51	T	87.7	Confident	84.8	Confident	24 Å²	24	82.7 Å²	82.7	15%	0.147	44%	0.437	C	S	.	.			trans	-66.1	111.4	176.1	-53.4	0	0	0	0	110.1	T34 V49 H53 D70 G72	T34-T51 PolarHBondContact OG1-OG1 2.83Å; T34-T51 VanDerWaalsContact OG1-OG1 3.08Å; V49-T51 PolarHBondContact O-N 2.68Å; T51-H53 WeakPolarHBondContact CG2-O 3.44Å; T51-D70 PolarHBondContact OG1-OD2 2.91Å; T51-G72 WeakPolarHBondContact O-CA 3.49Å
52	L	85	Confident	83.8	Confident	125 Å²	125	79 Å²	79	65%	0.654	42%	0.422	S	S	*	.			trans	-84.2	-35.5	-179.6	-62.4	179.7	0	0	0	112.5	P50	P50-L52 PolarHBondContact O-N 2.9Å; P50-L52 VanDerWaalsContact O-N 3.17Å
53	H	89.3	Confident	82.8	Confident	143 Å²	143	77.1 Å²	77.1	66%	0.662	42%	0.42	S	S	*	.	S	Bend	trans	-125.5	142.8	-178.8	-54.5	102.9	0	0	0	109.5	T51 T55	T51-H53 WeakPolarHBondContact CG2-O 3.44Å; H53-T55 PolarHBondContact O-N 3.34Å
54	P	91.2	Very high	82	Confident	46 Å²	46	74.3 Å²	74.3	30%	0.299	41%	0.405	S	S	.	.			trans	-50.1	136.5	171.3	-29.8	38.2	0	0	0	111.9	L71 V80 Y84	P54-L71 HydrophobicContact CB-CD2 3.66Å; P54-L71 HydrophobicContact CG-CD2 4.08Å; P54-V80 HydrophobicContact CG-CG2 4.33Å; P54-Y84 HydrophobicContact CB-CE1 4.21Å; P54-Y84 HydrophobicContact CB-CE2 4.02Å; P54-Y84 VanDerWaalsContact CB-CZ 3.5Å; P54-Y84 WeakPolarHBondContact CB-OH 2.98Å; P54-Y84 HydrophobicContact CG-CE2 3.83Å; P54-Y84 VanDerWaalsContact CG-OH 3.24Å; P54-Y84 WeakPolarHBondContact CG-OH 2.81Å
55	T	91.6	Very high	81.8	Confident	63 Å²	63	69.3 Å²	69.3	39%	0.387	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.9	174.6	60.1	0	0	0	0	109.6	H53 F69 D70	H53-T55 PolarHBondContact O-N 3.34Å; T55-F69 CarbonylContact O-C 3.59Å; T55-F69 WeakPolarHBondContact O-CA 3.46Å; T55-D70 PolarHBondContact N-O 3.35Å; T55-D70 PolarHBondContact O-N 3.19Å
56	S	92	Very high	82	Confident	67 Å²	67	65.4 Å²	65.4	47%	0.469	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.8	177.1	62.1	0	0	0	0	110	T68	S56-T68 CarbonylContact C-O 3.58Å; S56-T68 VanDerWaalsContact CA-O 3.3Å; S56-T68 WeakPolarHBondContact CA-O 3.48Å
57	E	90.4	Very high	82.2	Confident	54 Å²	54	65.1 Å²	65.1	25%	0.252	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.2	177.1	-67.9	-69.8	-156.3	0	0	110.8	L37 K41 T68	L37-E57 HydrophobicContact CD1-CB 4.11Å; L37-E57 HydrophobicContact CD2-CB 4.07Å; L37-E57 HydrophobicContact CD2-CG 3.83Å; L37-E57 HydrophobicContact CG-CB 4.31Å; L37-E57 HydrophobicContact CG-CG 4.31Å; K41-E57 HydrophobicContact CD-CB 4.23Å; K41-E57 HydrophobicContact CD-CG 4.25Å; K41-E57 IonicContact NZ-OE1 2.61Å; K41-E57 PolarHBondContact NZ-OE1 2.72Å; K41-E57 IonicContact NZ-OE2 2.87Å; K41-E57 PolarHBondContact NZ-OE2 3.06Å; E57-T68 PolarHBondContact N-O 3.13Å; E57-T68 PolarHBondContact O-N 3.17Å
58	E	88	Confident	82.6	Confident	107 Å²	107	55.5 Å²	55.5	50%	0.5	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.3	171.7	-69.6	-61.1	140.8	0	0	109.7	T67	E58-T67 WeakPolarHBondContact OE1-CB 3.48Å; E58-T67 WeakPolarHBondContact OE1-CG2 3.47Å; E58-T67 PolarHBondContact OE1-OG1 3.3Å
59	L	82.8	Confident	82.9	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.6	177	-66.5	-172.9	0	0	0	110.6	L37 L40 K41 L61 N65 F66 T68	L37-L59 HydrophobicContact CD1-CD1 3.69Å; L37-L59 HydrophobicContact CD1-CD2 3.85Å; L37-L59 HydrophobicContact CD1-CG 3.88Å; L40-L59 HydrophobicContact CB-CD1 4.09Å; L40-L59 HydrophobicContact CB-CD2 4.22Å; L40-L59 HydrophobicContact CD1-CD1 4.14Å; K41-L59 HydrophobicContact CB-CD2 3.6Å; K41-L59 HydrophobicContact CG-CD2 4.14Å; L59-L61 HydrophobicContact CB-CD2 4.48Å; L59-L61 HydrophobicContact CB-CG 4.18Å; L59-L61 PolarHBondContact O-N 3.29Å; L59-N65 CarbonylContact O-C 3.55Å; L59-N65 WeakPolarHBondContact O-CA 3.48Å; L59-F66 HydrophobicContact CB-CB 4.33Å; L59-F66 PolarHBondContact N-O 2.61Å; L59-F66 PolarHBondContact O-N 2.63Å; L59-T68 HydrophobicContact CD1-CG2 4.1Å; L59-T68 WeakPolarHBondContact CD1-OG1 3.47Å; L59-T68 WeakPolarHBondContact CG-OG1 3.19Å
60	S	75	Confident	83	Confident	85 Å²	85	48.2 Å²	48.2	59%	0.594	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	89.3	169.2	-64.4	0	0	0	0	110.3	M64 N65	S60-M64 CarbonylContact C-O 3.39Å; S60-M64 VanDerWaalsContact CA-O 3.27Å; S60-M64 WeakPolarHBondContact CA-O 3.22Å; S60-N65 PolarHBondContact OG-OD1 2.8Å
61	L	69.1	Low	83.2	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	99.4	175.2	-62.7	-171.5	0	0	0	109	W4 F7 L11 L40 L59 G63 M64 F66 F185	W4-L61 HydrophobicContact CH2-CD2 3.71Å; W4-L61 HydrophobicContact CZ3-CD2 3.51Å; F7-L61 HydrophobicContact CE1-CB 3.86Å; F7-L61 HydrophobicContact CE1-CD1 4.23Å; F7-L61 HydrophobicContact CE1-CD2 3.95Å; F7-L61 HydrophobicContact CE1-CG 4.2Å; L11-L61 VanDerWaalsContact CD1-C 3.4Å; L11-L61 HydrophobicContact CD1-CB 3.83Å; L11-L61 WeakPolarHBondContact CD1-O 3.44Å; L40-L61 HydrophobicContact CB-CD2 4.46Å; L40-L61 HydrophobicContact CD2-CD2 4.31Å; L59-L61 HydrophobicContact CB-CD2 4.48Å; L59-L61 HydrophobicContact CB-CG 4.18Å; L59-L61 PolarHBondContact O-N 3.29Å; L61-G63 PolarHBondContact O-N 3.09Å; L61-M64 CarbonylContact C-O 3.6Å; L61-M64 PolarHBondContact N-O 2.96Å; L61-M64 WeakPolarHBondContact O-CB 3.48Å; L61-M64 PolarHBondContact O-N 3.16Å; L61-F66 HydrophobicContact CB-CD2 3.95Å; L61-F66 HydrophobicContact CB-CE2 3.98Å; L61-F66 HydrophobicContact CD1-CD2 4Å; L61-F66 HydrophobicContact CD1-CE2 4.27Å; L61-F66 HydrophobicContact CG-CD2 4.1Å; L61-F185 HydrophobicContact CD1-CD1 4Å; L61-F185 HydrophobicContact CD1-CE1 4.03Å
62	G	64	Low	83.5	Confident	5 Å²	5	42.8 Å²	42.8	5%	0.052	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	41.1	167.9	0	0	0	0	0	118.1	S8 L11 S12 M64	S8-G62 VanDerWaalsContact CB-CA 3.42Å; L11-G62 WeakPolarHBondContact CB-O 3.36Å; S12-G62 PolarHBondContact N-O 2.82Å; G62-M64 PolarHBondContact O-N 2.93Å
63	G	64.5	Low	83.9	Confident	31 Å²	31	37 Å²	37	32%	0.32	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-8.8	-177	0	0	0	0	0	113.4	K18 L61	K18-G63 WeakPolarHBondContact CA-O 3.04Å; K18-G63 PolarHBondContact N-O 3Å; L61-G63 PolarHBondContact O-N 3.09Å
64	M	67.6	Low	84.2	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	144.6	163	-67.8	-172.1	-79.8	0	0	110.5	L11 L16 K19 S60 L61 G62 F66 A189 I192	L11-M64 HydrophobicContact CB-CE 4.26Å; L11-M64 HydrophobicContact CD1-CE 3.87Å; L11-M64 HydrophobicContact CD2-CE 3.9Å; L11-M64 HydrophobicContact CG-CE 4.24Å; L16-M64 HydrophobicContact CB-CE 3.86Å; L16-M64 HydrophobicContact CB-CG 3.53Å; L16-M64 HydrophobicContact CB-SD 3.46Å; L16-M64 WeakPolarHBondContact CB-SD 3.17Å; L16-M64 HydrophobicContact CD1-CE 3.34Å; L16-M64 HydrophobicContact CD1-SD 3.69Å; L16-M64 HydrophobicContact CD2-SD 4.21Å; L16-M64 HydrophobicContact CG-CE 4.17Å; L16-M64 HydrophobicContact CG-SD 3.96Å; L16-M64 WeakPolarHBondContact O-CG 3.34Å; K19-M64 HydrophobicContact CB-CG 4.24Å; K19-M64 VanDerWaalsContact O-CA 3.3Å; K19-M64 WeakPolarHBondContact O-CA 3.47Å; S60-M64 CarbonylContact C-O 3.39Å; S60-M64 VanDerWaalsContact CA-O 3.27Å; S60-M64 WeakPolarHBondContact CA-O 3.22Å; L61-M64 CarbonylContact C-O 3.6Å; L61-M64 PolarHBondContact N-O 2.96Å; L61-M64 WeakPolarHBondContact O-CB 3.48Å; L61-M64 PolarHBondContact O-N 3.16Å; G62-M64 PolarHBondContact O-N 2.93Å; M64-F66 HydrophobicContact CB-CD2 4.18Å; M64-F66 HydrophobicContact CB-CE2 3.55Å; M64-F66 HydrophobicContact CB-CZ 3.98Å; M64-F66 HydrophobicContact CE-CE2 3.68Å; M64-F66 HydrophobicContact CE-CZ 3.61Å; M64-F66 HydrophobicContact CG-CE2 4.32Å; M64-F66 HydrophobicContact CG-CZ 4.36Å; M64-F66 HydrophobicContact SD-CE1 4.38Å; M64-F66 HydrophobicContact SD-CE2 3.83Å; M64-F66 HydrophobicContact SD-CZ 3.39Å; M64-F66 WeakPolarHBondContact SD-CZ 3.4Å; M64-A189 HydrophobicContact CE-CB 4.18Å; M64-I192 HydrophobicContact SD-CG2 4.22Å
65	N	77.2	Confident	84.3	Confident	77 Å²	77	33.4 Å²	33.4	41%	0.412	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121	169.6	-68.8	-22.1	0	0	0	109.5	K19 S20 G21 L59 S60	K19-N65 PolarHBondContact O-N 2.89Å; S20-N65 CarbonylContact C-O 3.55Å; S20-N65 WeakPolarHBondContact CA-O 3.32Å; G21-N65 PolarHBondContact N-O 3.48Å; L59-N65 CarbonylContact O-C 3.55Å; L59-N65 WeakPolarHBondContact O-CA 3.48Å; S60-N65 PolarHBondContact OG-OD1 2.8Å
66	F	83.3	Confident	84.4	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.5	175.4	-67.1	-78.8	0	0	0	110.9	G21 L23 L59 L61 M64 T68 I192	G21-F66 CarbonylContact O-C 3.5Å; G21-F66 WeakPolarHBondContact O-CA 3.43Å; L23-F66 HydrophobicContact CB-CB 4.3Å; L23-F66 HydrophobicContact CB-CD1 4.32Å; L59-F66 HydrophobicContact CB-CB 4.33Å; L59-F66 PolarHBondContact N-O 2.61Å; L59-F66 PolarHBondContact O-N 2.63Å; L61-F66 HydrophobicContact CB-CD2 3.95Å; L61-F66 HydrophobicContact CB-CE2 3.98Å; L61-F66 HydrophobicContact CD1-CD2 4Å; L61-F66 HydrophobicContact CD1-CE2 4.27Å; L61-F66 HydrophobicContact CG-CD2 4.1Å; M64-F66 HydrophobicContact CB-CD2 4.18Å; M64-F66 HydrophobicContact CB-CE2 3.55Å; M64-F66 HydrophobicContact CB-CZ 3.98Å; M64-F66 HydrophobicContact CE-CE2 3.68Å; M64-F66 HydrophobicContact CE-CZ 3.61Å; M64-F66 HydrophobicContact CG-CE2 4.32Å; M64-F66 HydrophobicContact CG-CZ 4.36Å; M64-F66 HydrophobicContact SD-CE1 4.38Å; M64-F66 HydrophobicContact SD-CE2 3.83Å; M64-F66 HydrophobicContact SD-CZ 3.39Å; M64-F66 WeakPolarHBondContact SD-CZ 3.4Å; F66-T68 PolarHBondContact O-N 3.3Å; F66-T68 VanDerWaalsContact O-N 3.16Å; F66-T68 PolarHBondContact O-OG1 2.97Å; F66-I192 HydrophobicContact CE1-CD1 3.59Å; F66-I192 HydrophobicContact CE1-CG2 3.89Å; F66-I192 HydrophobicContact CZ-CD1 3.45Å; F66-I192 VanDerWaalsContact CZ-CD1 3.45Å; F66-I192 HydrophobicContact CZ-CG2 4.08Å
67	T	85.6	Confident	84.5	Confident	44 Å²	44	34.8 Å²	34.8	27%	0.27	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	107.9	158.9	-50.4	0	0	0	0	106.9	G21 K22 L23 E58 F69	G21-T67 PolarHBondContact O-N 3.41Å; K22-T67 WeakPolarHBondContact CA-O 3.08Å; L23-T67 PolarHBondContact N-O 2.88Å; E58-T67 WeakPolarHBondContact OE1-CB 3.48Å; E58-T67 WeakPolarHBondContact OE1-CG2 3.47Å; E58-T67 PolarHBondContact OE1-OG1 3.3Å; T67-F69 HydrophobicContact CG2-CD2 4.39Å; T67-F69 HydrophobicContact CG2-CE2 3.62Å; T67-F69 HydrophobicContact CG2-CZ 3.83Å
68	T	88.3	Confident	84.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.5	-176.3	-54.8	0	0	0	0	110.4	L23 F25 L37 S56 E57 L59 F66	L23-T68 HydrophobicContact CB-CG2 4.18Å; L23-T68 HydrophobicContact CD2-CG2 4.13Å; L23-T68 HydrophobicContact CG-CG2 4.19Å; L23-T68 CarbonylContact O-C 3.54Å; L23-T68 VanDerWaalsContact O-CA 3.29Å; L23-T68 WeakPolarHBondContact O-CA 3.3Å; F25-T68 HydrophobicContact CD1-CG2 3.94Å; F25-T68 HydrophobicContact CD2-CG2 4.16Å; F25-T68 HydrophobicContact CE1-CG2 3.84Å; F25-T68 HydrophobicContact CE2-CG2 4.04Å; F25-T68 HydrophobicContact CG-CG2 4.11Å; F25-T68 HydrophobicContact CZ-CG2 3.87Å; L37-T68 HydrophobicContact CD1-CG2 3.74Å; S56-T68 CarbonylContact C-O 3.58Å; S56-T68 VanDerWaalsContact CA-O 3.3Å; S56-T68 WeakPolarHBondContact CA-O 3.48Å; E57-T68 PolarHBondContact N-O 3.13Å; E57-T68 PolarHBondContact O-N 3.17Å; L59-T68 HydrophobicContact CD1-CG2 4.1Å; L59-T68 WeakPolarHBondContact CD1-OG1 3.47Å; L59-T68 WeakPolarHBondContact CG-OG1 3.19Å; F66-T68 PolarHBondContact O-N 3.3Å; F66-T68 VanDerWaalsContact O-N 3.16Å; F66-T68 PolarHBondContact O-OG1 2.97Å
69	F	92.4	Very high	85	Confident	38 Å²	38	38.1 Å²	38.1	17%	0.167	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.2	177.2	-66.6	-90.5	0	0	0	110.7	K22 L23 V24 F25 T55 T67 L71 Y84	K22-F69 HydrophobicContact CD-CD2 4.43Å; K22-F69 HydrophobicContact CD-CE2 3.99Å; K22-F69 HydrophobicContact CG-CD2 4.06Å; K22-F69 HydrophobicContact CG-CE2 3.87Å; L23-F69 PolarHBondContact O-N 3.23Å; V24-F69 HydrophobicContact CG1-CB 4.49Å; V24-F69 HydrophobicContact CG2-CB 4.41Å; F25-F69 PolarHBondContact N-O 2.89Å; T55-F69 CarbonylContact O-C 3.59Å; T55-F69 WeakPolarHBondContact O-CA 3.46Å; T67-F69 HydrophobicContact CG2-CD2 4.39Å; T67-F69 HydrophobicContact CG2-CE2 3.62Å; T67-F69 HydrophobicContact CG2-CZ 3.83Å; F69-L71 HydrophobicContact CB-CD2 4.19Å; F69-Y84 HydrophobicContact CB-CD1 4.11Å; F69-Y84 AromaticContact CD1-CD1 3.44Å; F69-Y84 HydrophobicContact CD1-CD1 3.44Å; F69-Y84 VanDerWaalsContact CD1-CD1 3.44Å; F69-Y84 AromaticContact CD1-CE1 3.4Å; F69-Y84 HydrophobicContact CD1-CE1 3.4Å; F69-Y84 VanDerWaalsContact CD1-CE1 3.4Å; F69-Y84 HydrophobicContact CD2-CD1 4.46Å; F69-Y84 AromaticContact CE1-CD1 3.92Å; F69-Y84 HydrophobicContact CE1-CD1 3.92Å; F69-Y84 AromaticContact CE1-CE1 3.75Å; F69-Y84 HydrophobicContact CE1-CE1 3.75Å; F69-Y84 AromaticContact CG-CD1 3.74Å; F69-Y84 HydrophobicContact CG-CD1 3.74Å; F69-Y84 HydrophobicContact CG-CE1 4.17Å
70	D	90.3	Very high	85.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.6	169.8	178.8	42.1	0	0	0	109.7	K33 T34 L37 T51 T55	K33-D70 WeakPolarHBondContact CB-OD1 3.27Å; T34-D70 WeakPolarHBondContact CA-OD2 3.15Å; T34-D70 VanDerWaalsContact CB-OD2 3.26Å; T34-D70 WeakPolarHBondContact CB-OD2 3.44Å; T34-D70 WeakPolarHBondContact CG2-OD2 3.42Å; T34-D70 PolarHBondContact OG1-OD2 3.39Å; L37-D70 HydrophobicContact CD2-CB 3.65Å; T51-D70 PolarHBondContact OG1-OD2 2.91Å; T55-D70 PolarHBondContact N-O 3.35Å; T55-D70 PolarHBondContact O-N 3.19Å
71	L	92.8	Very high	86.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.194	C	C	.	.			trans	-106.4	146.8	-174.7	-52.3	-170.9	0	0	0	111.2	V24 L26 K33 P54 F69 G73 W81 Y84	V24-L71 HydrophobicContact CG1-CD1 3.87Å; V24-L71 HydrophobicContact CG1-CG 4.22Å; L26-L71 HydrophobicContact CD2-CB 4.44Å; L26-L71 HydrophobicContact CD2-CD1 3.62Å; L26-L71 HydrophobicContact CD2-CG 4.27Å; K33-L71 WeakPolarHBondContact CE-O 3.26Å; P54-L71 HydrophobicContact CB-CD2 3.66Å; P54-L71 HydrophobicContact CG-CD2 4.08Å; F69-L71 HydrophobicContact CB-CD2 4.19Å; L71-G73 PolarHBondContact O-N 3.15Å; L71-W81 HydrophobicContact CD1-CB 4.35Å; L71-W81 HydrophobicContact CD1-CG 4.15Å; L71-Y84 HydrophobicContact CD1-CD2 3.67Å; L71-Y84 HydrophobicContact CD1-CE2 4.41Å; L71-Y84 HydrophobicContact CD1-CG 3.91Å; L71-Y84 HydrophobicContact CD2-CD1 4.09Å; L71-Y84 HydrophobicContact CD2-CD2 3.73Å; L71-Y84 HydrophobicContact CD2-CE1 4.13Å; L71-Y84 HydrophobicContact CD2-CE2 3.77Å; L71-Y84 HydrophobicContact CD2-CG 3.91Å; L71-Y84 HydrophobicContact CG-CD2 4.4Å
72	G	92.7	Very high	87.8	Confident	4 Å²	4	41.1 Å²	41.1	4%	0.041	21%	0.213	C	C	.	.			trans	-59.8	138	172.2	0	0	0	0	0	111.2	T51 A77 W81	T51-G72 WeakPolarHBondContact O-CA 3.49Å; G72-A77 WeakPolarHBondContact O-CB 3.23Å; G72-W81 PolarHBondContact O-NE1 3.21Å
73	G	94.7	Very high	89.3	Confident	3 Å²	3	46.4 Å²	46.4	3%	0.031	24%	0.24	C	C	.	.			trans	-104.5	-1.3	-178.8	0	0	0	0	0	115.1	G27 D29 L71 R78	G27-G73 WeakPolarHBondContact O-CA 3.08Å; D29-G73 VanDerWaalsContact N-CA 3.35Å; D29-G73 PolarHBondContact N-O 3.42Å; D29-G73 VanDerWaalsContact N-O 3.14Å; L71-G73 PolarHBondContact O-N 3.15Å; G73-R78 WeakPolarHBondContact O-CD 3.47Å; G73-R78 PolarHBondContact O-NE 3.44Å
74	H	94.1	Very high	90.8	Very high	54 Å²	54	47.6 Å²	47.6	25%	0.25	24%	0.235	C	C	.	.	S	Bend	trans	-75.6	152.8	175.3	63.2	-87.2	0	0	0	109.6	D29 Q76 A77 R78	D29-H74 HydrophobicContact CB-CB 4.25Å; H74-Q76 VanDerWaalsContact C-N 3.26Å; H74-Q76 PolarHBondContact O-N 3.01Å; H74-A77 WeakPolarHBondContact CE1-CB 3.13Å; H74-A77 PolarHBondContact NE2-N 3.48Å; H74-A77 PolarHBondContact O-N 2.87Å; H74-R78 PolarHBondContact O-N 3.02Å; H74-R78 VanDerWaalsContact O-N 3.12Å
75	A	93.6	Very high	92.1	Very high	60 Å²	60	47.8 Å²	47.8	50%	0.496	24%	0.236	S	C	.	.	H	α-helix	trans	-43.7	-42.8	-171.3	0	0	0	0	0	116
76	Q	93.7	Very high	92.9	Very high	147 Å²	147	47.3 Å²	47.3	69%	0.687	24%	0.237	S	C	*	.	H	α-helix	trans	-70.8	-41.6	179.8	-64.4	-179.6	55.2	0	0	112.6	H74 R78 R79	H74-Q76 VanDerWaalsContact C-N 3.26Å; H74-Q76 PolarHBondContact O-N 3.01Å; Q76-R78 VanDerWaalsContact C-N 3.34Å; Q76-R78 PolarHBondContact O-N 3.22Å; Q76-R79 WeakPolarHBondContact O-CB 2.91Å; Q76-R79 PolarHBondContact O-N 3.4Å
77	A	94	Very high	93.1	Very high	12 Å²	12	51.3 Å²	51.3	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-70.7	-25.2	178.1	0	0	0	0	0	113.9	G72 H74 R79 V80	G72-A77 WeakPolarHBondContact O-CB 3.23Å; H74-A77 WeakPolarHBondContact CE1-CB 3.13Å; H74-A77 PolarHBondContact NE2-N 3.48Å; H74-A77 PolarHBondContact O-N 2.87Å; A77-R79 PolarHBondContact O-N 3.43Å; A77-V80 WeakPolarHBondContact O-CG2 3.35Å; A77-V80 PolarHBondContact O-N 3.24Å
78	R	96.2	Very high	93.4	Very high	30 Å²	30	50 Å²	50	11%	0.113	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-23.9	176.3	-66.4	-173.3	-78	171.3	-6.5	113.4	G73 H74 Q76 V80 W81 E105 E109	G73-R78 WeakPolarHBondContact O-CD 3.47Å; G73-R78 PolarHBondContact O-NE 3.44Å; H74-R78 PolarHBondContact O-N 3.02Å; H74-R78 VanDerWaalsContact O-N 3.12Å; Q76-R78 VanDerWaalsContact C-N 3.34Å; Q76-R78 PolarHBondContact O-N 3.22Å; R78-V80 PolarHBondContact O-N 3.27Å; R78-W81 HydrophobicContact CB-CD2 4.27Å; R78-W81 HydrophobicContact CB-CZ2 4.37Å; R78-W81 HydrophobicContact CG-CD2 4.31Å; R78-W81 HydrophobicContact CG-CH2 4Å; R78-W81 HydrophobicContact CG-CZ2 3.53Å; R78-W81 WeakPolarHBondContact O-CB 3.26Å; R78-W81 PolarHBondContact O-N 3.2Å; R78-W81 VanDerWaalsContact O-N 3.17Å; R78-E105 IonicContact CZ-OE1 3.81Å; R78-E105 IonicContact NH1-OE1 2.9Å; R78-E105 PolarHBondContact NH1-OE1 3.01Å; R78-E105 IonicContact NH2-OE1 3.08Å; R78-E105 PolarHBondContact NH2-OE1 3.31Å; R78-E109 IonicContact CZ-OE1 2.86Å; R78-E109 VanDerWaalsContact CZ-OE1 3.26Å; R78-E109 IonicContact NE-OE1 3.2Å; R78-E109 VanDerWaalsContact NH1-CD 3.3Å; R78-E109 IonicContact NH1-OE1 2.72Å; R78-E109 PolarHBondContact NH1-OE1 2.87Å
79	R	94.1	Very high	93.6	Very high	200 Å²	200	53 Å²	53	76%	0.755	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.9	-179.9	-63.1	179.9	179.8	-178.4	-1.4	113.8	Q76 A77	Q76-R79 WeakPolarHBondContact O-CB 2.91Å; Q76-R79 PolarHBondContact O-N 3.4Å; A77-R79 PolarHBondContact O-N 3.43Å
80	V	93.3	Very high	93.6	Very high	51 Å²	51	51.2 Å²	51.2	31%	0.309	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	1.5	-179.2	-59.5	0	0	0	0	113	P54 A77 R78 K82 D83 Y84	P54-V80 HydrophobicContact CG-CG2 4.33Å; A77-V80 WeakPolarHBondContact O-CG2 3.35Å; A77-V80 PolarHBondContact O-N 3.24Å; R78-V80 PolarHBondContact O-N 3.27Å; V80-K82 PolarHBondContact O-N 2.64Å; V80-D83 WeakPolarHBondContact CB-OD2 3.46Å; V80-D83 WeakPolarHBondContact O-CB 3.41Å; V80-D83 PolarHBondContact O-N 2.85Å; V80-D83 VanDerWaalsContact O-N 3.08Å; V80-Y84 WeakPolarHBondContact O-CD2 3.29Å
81	W	96.5	Very high	94	Very high	8 Å²	8	51.2 Å²	51.2	3%	0.03	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-55.4	-41.2	-179.4	-75.7	3.9	0	0	0	112.5	L26 G27 L71 G72 R78 D83 Y84 F85 F93 E109	L26-W81 HydrophobicContact CB-CE3 4.47Å; L26-W81 HydrophobicContact CB-CH2 4.31Å; L26-W81 HydrophobicContact CB-CZ2 4.46Å; L26-W81 HydrophobicContact CB-CZ3 4.29Å; L26-W81 HydrophobicContact CD1-CE3 4.28Å; L26-W81 HydrophobicContact CD2-CB 4.26Å; L26-W81 HydrophobicContact CD2-CD2 3.68Å; L26-W81 HydrophobicContact CD2-CE3 4.11Å; L26-W81 HydrophobicContact CD2-CG 3.77Å; G27-W81 VanDerWaalsContact N-CH2 3.31Å; G27-W81 WeakPolarHBondContact O-CZ2 3.4Å; L71-W81 HydrophobicContact CD1-CB 4.35Å; L71-W81 HydrophobicContact CD1-CG 4.15Å; G72-W81 PolarHBondContact O-NE1 3.21Å; R78-W81 HydrophobicContact CB-CD2 4.27Å; R78-W81 HydrophobicContact CB-CZ2 4.37Å; R78-W81 HydrophobicContact CG-CD2 4.31Å; R78-W81 HydrophobicContact CG-CH2 4Å; R78-W81 HydrophobicContact CG-CZ2 3.53Å; R78-W81 WeakPolarHBondContact O-CB 3.26Å; R78-W81 PolarHBondContact O-N 3.2Å; R78-W81 VanDerWaalsContact O-N 3.17Å; W81-D83 PolarHBondContact O-N 3.49Å; W81-Y84 WeakPolarHBondContact O-CB 3.45Å; W81-Y84 PolarHBondContact O-N 3.2Å; W81-F85 HydrophobicContact CB-CE1 4.24Å; W81-F85 HydrophobicContact CB-CZ 4.36Å; W81-F85 VanDerWaalsContact O-CD1 3.23Å; W81-F85 WeakPolarHBondContact O-CD1 3.4Å; W81-F85 VanDerWaalsContact O-CE1 3.28Å; W81-F85 WeakPolarHBondContact O-CE1 3.38Å; W81-F93 HydrophobicContact CH2-CE2 4.17Å; W81-F93 HydrophobicContact CZ3-CE2 4.07Å; W81-E109 HydrophobicContact CH2-CB 4.27Å; W81-E109 HydrophobicContact CH2-CG 4.38Å; W81-E109 HydrophobicContact CZ3-CB 3.95Å; W81-E109 HydrophobicContact CZ3-CG 4.3Å
82	K	95.6	Very high	94.2	Very high	94 Å²	94	51.1 Å²	51.1	41%	0.409	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-64.3	-25.4	-178.7	-59.2	-164.9	178.3	-142.5	0	113.3	V80 Y84 F85 D116	V80-K82 PolarHBondContact O-N 2.64Å; K82-Y84 PolarHBondContact O-N 3.27Å; K82-Y84 VanDerWaalsContact O-N 3.16Å; K82-F85 HydrophobicContact CB-CD2 4.24Å; K82-F85 HydrophobicContact CB-CE2 4.33Å; K82-F85 HydrophobicContact CG-CD2 4.16Å; K82-F85 HydrophobicContact CG-CE2 3.8Å; K82-F85 HydrophobicContact CG-CZ 4.29Å; K82-F85 WeakPolarHBondContact O-CB 3.2Å; K82-F85 PolarHBondContact O-N 2.89Å; K82-F85 VanDerWaalsContact O-N 3.11Å; K82-D116 WeakPolarHBondContact CD-OD2 3.38Å; K82-D116 VanDerWaalsContact CE-OD2 3.29Å; K82-D116 WeakPolarHBondContact CE-OD2 3.26Å; K82-D116 IonicContact NZ-OD2 3.26Å; K82-D116 PolarHBondContact NZ-OD2 3.29Å
83	D	95.6	Very high	94.5	Very high	115 Å²	115	51 Å²	51	62%	0.615	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-64.8	-19.9	176.4	-56.1	-22.6	0	0	0	111.4	V80 W81	V80-D83 WeakPolarHBondContact CB-OD2 3.46Å; V80-D83 WeakPolarHBondContact O-CB 3.41Å; V80-D83 PolarHBondContact O-N 2.85Å; V80-D83 VanDerWaalsContact O-N 3.08Å; W81-D83 PolarHBondContact O-N 3.49Å
84	Y	95.2	Very high	94.7	Very high	56 Å²	56	50.8 Å²	50.8	22%	0.22	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-97.3	-4.3	178.9	-66.4	-91.1	0	0	0	113.5	K22 P54 F69 L71 V80 W81 K82 P86 V88	K22-Y84 WeakPolarHBondContact CE-O 3.22Å; K22-Y84 PolarHBondContact NZ-O 3.48Å; P54-Y84 HydrophobicContact CB-CE1 4.21Å; P54-Y84 HydrophobicContact CB-CE2 4.02Å; P54-Y84 VanDerWaalsContact CB-CZ 3.5Å; P54-Y84 WeakPolarHBondContact CB-OH 2.98Å; P54-Y84 HydrophobicContact CG-CE2 3.83Å; P54-Y84 VanDerWaalsContact CG-OH 3.24Å; P54-Y84 WeakPolarHBondContact CG-OH 2.81Å; F69-Y84 HydrophobicContact CB-CD1 4.11Å; F69-Y84 AromaticContact CD1-CD1 3.44Å; F69-Y84 HydrophobicContact CD1-CD1 3.44Å; F69-Y84 VanDerWaalsContact CD1-CD1 3.44Å; F69-Y84 AromaticContact CD1-CE1 3.4Å; F69-Y84 HydrophobicContact CD1-CE1 3.4Å; F69-Y84 VanDerWaalsContact CD1-CE1 3.4Å; F69-Y84 HydrophobicContact CD2-CD1 4.46Å; F69-Y84 AromaticContact CE1-CD1 3.92Å; F69-Y84 HydrophobicContact CE1-CD1 3.92Å; F69-Y84 AromaticContact CE1-CE1 3.75Å; F69-Y84 HydrophobicContact CE1-CE1 3.75Å; F69-Y84 AromaticContact CG-CD1 3.74Å; F69-Y84 HydrophobicContact CG-CD1 3.74Å; F69-Y84 HydrophobicContact CG-CE1 4.17Å; L71-Y84 HydrophobicContact CD1-CD2 3.67Å; L71-Y84 HydrophobicContact CD1-CE2 4.41Å; L71-Y84 HydrophobicContact CD1-CG 3.91Å; L71-Y84 HydrophobicContact CD2-CD1 4.09Å; L71-Y84 HydrophobicContact CD2-CD2 3.73Å; L71-Y84 HydrophobicContact CD2-CE1 4.13Å; L71-Y84 HydrophobicContact CD2-CE2 3.77Å; L71-Y84 HydrophobicContact CD2-CG 3.91Å; L71-Y84 HydrophobicContact CG-CD2 4.4Å; V80-Y84 WeakPolarHBondContact O-CD2 3.29Å; W81-Y84 WeakPolarHBondContact O-CB 3.45Å; W81-Y84 PolarHBondContact O-N 3.2Å; K82-Y84 PolarHBondContact O-N 3.27Å; K82-Y84 VanDerWaalsContact O-N 3.16Å; Y84-P86 VanDerWaalsContact C-CD 3.5Å; Y84-V88 WeakPolarHBondContact O-CG2 3.39Å
85	F	95.5	Very high	94.9	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.022	26%	0.256	C	S	.	.			trans	-72.1	-28.6	-177.8	-70.8	4.2	0	0	0	116	L26 W81 K82 A87 V88 L113 D116 Q118 V119	L26-F85 HydrophobicContact CD1-CE1 3.83Å; L26-F85 HydrophobicContact CD1-CZ 4.27Å; W81-F85 HydrophobicContact CB-CE1 4.24Å; W81-F85 HydrophobicContact CB-CZ 4.36Å; W81-F85 VanDerWaalsContact O-CD1 3.23Å; W81-F85 WeakPolarHBondContact O-CD1 3.4Å; W81-F85 VanDerWaalsContact O-CE1 3.28Å; W81-F85 WeakPolarHBondContact O-CE1 3.38Å; K82-F85 HydrophobicContact CB-CD2 4.24Å; K82-F85 HydrophobicContact CB-CE2 4.33Å; K82-F85 HydrophobicContact CG-CD2 4.16Å; K82-F85 HydrophobicContact CG-CE2 3.8Å; K82-F85 HydrophobicContact CG-CZ 4.29Å; K82-F85 WeakPolarHBondContact O-CB 3.2Å; K82-F85 PolarHBondContact O-N 2.89Å; K82-F85 VanDerWaalsContact O-N 3.11Å; F85-A87 PolarHBondContact O-N 2.74Å; F85-V88 WeakPolarHBondContact O-CG2 3.45Å; F85-V88 PolarHBondContact O-N 2.77Å; F85-L113 HydrophobicContact CE1-CD1 4.02Å; F85-L113 HydrophobicContact CE2-CD1 3.97Å; F85-L113 HydrophobicContact CZ-CD1 3.46Å; F85-L113 VanDerWaalsContact CZ-CD1 3.46Å; F85-D116 HydrophobicContact CD2-CB 4.35Å; F85-D116 HydrophobicContact CE2-CB 4.05Å; F85-Q118 HydrophobicContact CB-CB 3.97Å; F85-Q118 HydrophobicContact CD2-CB 4.48Å; F85-V119 HydrophobicContact CB-CG1 3.74Å; F85-V119 HydrophobicContact CD1-CG1 4.21Å; F85-V119 HydrophobicContact CD2-CG1 4Å; F85-V119 HydrophobicContact CD2-CG2 4.23Å; F85-V119 HydrophobicContact CE2-CG2 4.34Å; F85-V119 HydrophobicContact CG-CG1 3.72Å
86	P	92.7	Very high	95.1	Very high	67 Å²	67	46.1 Å²	46.1	44%	0.435	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	130.8	177.2	-28.7	36.6	0	0	0	112.4	K22 Y84 V88	K22-P86 PolarHBondContact NZ-O 2.75Å; Y84-P86 VanDerWaalsContact C-CD 3.5Å; P86-V88 VanDerWaalsContact C-N 3.28Å; P86-V88 PolarHBondContact O-N 3.11Å
87	A	88.2	Confident	95.3	Very high	88 Å²	88	39.1 Å²	39.1	73%	0.727	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	34.5	178.4	0	0	0	0	0	114.7	K22 F85	K22-A87 WeakPolarHBondContact CB-O 3.34Å; K22-A87 WeakPolarHBondContact CD-O 3.3Å; F85-A87 PolarHBondContact O-N 2.74Å
88	V	92.9	Very high	95.5	Very high	17 Å²	17	40.1 Å²	40.1	10%	0.103	21%	0.211	C	C	.	.			trans	-82	125.7	172.5	175.7	0	0	0	0	110.4	K22 V24 Y84 F85 P86 A90 I91 C122	K22-V88 HydrophobicContact CD-CG2 3.96Å; K22-V88 HydrophobicContact CG-CG2 4.22Å; V24-V88 HydrophobicContact CB-CG1 4.48Å; V24-V88 HydrophobicContact CG2-CB 4.43Å; V24-V88 HydrophobicContact CG2-CG1 3.94Å; V24-V88 HydrophobicContact CG2-CG2 3.5Å; Y84-V88 WeakPolarHBondContact O-CG2 3.39Å; F85-V88 WeakPolarHBondContact O-CG2 3.45Å; F85-V88 PolarHBondContact O-N 2.77Å; P86-V88 VanDerWaalsContact C-N 3.28Å; P86-V88 PolarHBondContact O-N 3.11Å; V88-A90 WeakPolarHBondContact CG1-O 3.39Å; V88-I91 HydrophobicContact CG1-CD1 4.38Å; V88-I91 HydrophobicContact CG1-CG1 3.69Å; V88-C122 PolarHBondContact O-SG 2.89Å
89	D	91.5	Very high	95.5	Very high	63 Å²	63	40.9 Å²	40.9	34%	0.337	22%	0.217	S	C	.	.	S	Bend	trans	-86.5	-27.7	-179.7	-61.8	-64.2	0	0	0	112.7	G21 K22 P123	G21-D89 WeakPolarHBondContact CA-OD2 3.38Å; K22-D89 PolarHBondContact N-OD2 2.87Å; K22-D89 PolarHBondContact O-N 3.31Å; D89-P123 WeakPolarHBondContact O-CD 3.31Å; D89-P123 WeakPolarHBondContact O-CG 3.42Å
90	A	93.5	Very high	95.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	152.8	177.1	0	0	0	0	0	111.7	K22 L23 V24 V88 C122 P123 L188 I192	K22-A90 PolarHBondContact O-N 3.4Å; L23-A90 WeakPolarHBondContact CA-O 3.21Å; L23-A90 HydrophobicContact CD1-CB 3.62Å; L23-A90 VanDerWaalsContact CD1-O 3.23Å; L23-A90 WeakPolarHBondContact CD1-O 3.35Å; V24-A90 PolarHBondContact N-O 2.81Å; V88-A90 WeakPolarHBondContact CG1-O 3.39Å; A90-C122 WeakPolarHBondContact CA-SG 3.01Å; A90-C122 PolarHBondContact N-SG 3.07Å; A90-P123 HydrophobicContact CB-CG 4.04Å; A90-L188 HydrophobicContact CB-CD1 3.84Å; A90-L188 HydrophobicContact CB-CD2 3.88Å; A90-L188 HydrophobicContact CB-CG 4.08Å; A90-I192 HydrophobicContact CB-CD1 4.02Å; A90-I192 HydrophobicContact CB-CG1 4.16Å
91	I	96.8	Very high	95.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.9	175.2	-61.8	172.5	0	0	0	109.6	L26 V88 L113 V119 P123 I124 L125	L26-I91 HydrophobicContact CB-CG2 4.45Å; L26-I91 HydrophobicContact CD1-CG2 3.8Å; L26-I91 HydrophobicContact CG-CG2 4.12Å; V88-I91 HydrophobicContact CG1-CD1 4.38Å; V88-I91 HydrophobicContact CG1-CG1 3.69Å; I91-L113 HydrophobicContact CD1-CD1 3.74Å; I91-L113 HydrophobicContact CD1-CD2 4.4Å; I91-L113 HydrophobicContact CD1-CG 4.47Å; I91-L113 HydrophobicContact CG2-CD2 3.91Å; I91-V119 HydrophobicContact CD1-CB 3.94Å; I91-V119 HydrophobicContact CD1-CG1 3.83Å; I91-V119 HydrophobicContact CD1-CG2 4.19Å; I91-P123 PolarHBondContact N-O 2.8Å; I91-I124 HydrophobicContact CB-CG1 4.33Å; I91-I124 WeakPolarHBondContact O-CA 3.49Å; I91-L125 PolarHBondContact O-N 2.85Å
92	V	97.6	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.4	168.4	-167.8	0	0	0	0	108.6	L23 V24 F25 L26 L94 L125 L127 F185 L188	L23-V92 HydrophobicContact CD1-CG2 3.73Å; L23-V92 HydrophobicContact CD2-CG2 4.29Å; L23-V92 HydrophobicContact CG-CG2 4.26Å; V24-V92 PolarHBondContact O-N 2.94Å; F25-V92 WeakPolarHBondContact CA-O 3.19Å; F25-V92 HydrophobicContact CD1-CB 3.62Å; F25-V92 HydrophobicContact CD1-CG2 3.89Å; F25-V92 HydrophobicContact CE1-CB 3.72Å; F25-V92 HydrophobicContact CE1-CG1 4.42Å; F25-V92 HydrophobicContact CE1-CG2 3.56Å; L26-V92 PolarHBondContact N-O 3.01Å; V92-L94 HydrophobicContact CB-CD1 4.31Å; V92-L94 HydrophobicContact CG1-CD1 3.64Å; V92-L125 CarbonylContact C-O 3.49Å; V92-L125 VanDerWaalsContact CA-O 3.28Å; V92-L125 WeakPolarHBondContact CA-O 3.2Å; V92-L125 HydrophobicContact CG1-CB 4.43Å; V92-L125 HydrophobicContact CG1-CD2 4.05Å; V92-L125 HydrophobicContact CG1-CG 4.15Å; V92-L125 HydrophobicContact CG2-CB 4.42Å; V92-L125 HydrophobicContact CG2-CD2 4.26Å; V92-L127 HydrophobicContact CG1-CD1 3.59Å; V92-L127 HydrophobicContact CG1-CG 3.86Å; V92-F185 HydrophobicContact CG2-CE1 4.1Å; V92-F185 HydrophobicContact CG2-CZ 3.97Å; V92-L188 HydrophobicContact CG2-CD2 3.95Å
93	F	98.8	Very high	96	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.7	179.5	-167.5	-88.1	0	0	0	110.1	L26 W81 V95 A106 E109 L110 L113 I124 L125 V126 L127	L26-F93 HydrophobicContact CB-CD2 3.76Å; L26-F93 HydrophobicContact CB-CE2 4.3Å; L26-F93 CarbonylContact O-C 3.59Å; L26-F93 WeakPolarHBondContact O-CA 2.97Å; W81-F93 HydrophobicContact CH2-CE2 4.17Å; W81-F93 HydrophobicContact CZ3-CE2 4.07Å; F93-V95 HydrophobicContact CD1-CG2 3.79Å; F93-V95 HydrophobicContact CE1-CG2 3.71Å; F93-A106 WeakPolarHBondContact CZ-O 3.33Å; F93-E109 HydrophobicContact CE2-CB 4.27Å; F93-E109 HydrophobicContact CZ-CB 4.06Å; F93-L110 HydrophobicContact CB-CD1 4.38Å; F93-L110 HydrophobicContact CD1-CD1 4.16Å; F93-L110 HydrophobicContact CD2-CD1 4.18Å; F93-L110 HydrophobicContact CE1-CB 4.02Å; F93-L110 HydrophobicContact CE1-CD1 4.49Å; F93-L110 HydrophobicContact CE2-CB 4.38Å; F93-L110 HydrophobicContact CG-CD1 3.99Å; F93-L110 HydrophobicContact CZ-CB 3.95Å; F93-L113 HydrophobicContact CD2-CD2 4Å; F93-I124 HydrophobicContact CB-CG2 4.45Å; F93-L125 PolarHBondContact N-O 3.26Å; F93-V126 HydrophobicContact CB-CG2 4.41Å; F93-V126 CarbonylContact O-C 3.57Å; F93-V126 VanDerWaalsContact O-CA 3.32Å; F93-V126 WeakPolarHBondContact O-CA 3.37Å; F93-L127 PolarHBondContact O-N 3Å
94	L	98.7	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.3	-177.8	-79.5	76.4	0	0	0	111.1	L26 G27 A31 G32 K33 L36 V92 L127	L26-L94 PolarHBondContact O-N 2.9Å; G27-L94 WeakPolarHBondContact CA-O 3.36Å; A31-L94 HydrophobicContact CB-CB 3.86Å; A31-L94 WeakPolarHBondContact CB-O 3.49Å; G32-L94 VanDerWaalsContact C-CD2 3.47Å; K33-L94 HydrophobicContact CG-CB 4.11Å; K33-L94 HydrophobicContact CG-CD1 4.25Å; K33-L94 HydrophobicContact CG-CD2 4.21Å; K33-L94 HydrophobicContact CG-CG 4.42Å; L36-L94 HydrophobicContact CB-CD2 4.25Å; L36-L94 HydrophobicContact CD2-CD1 4Å; L36-L94 HydrophobicContact CD2-CD2 4.03Å; L36-L94 HydrophobicContact CD2-CG 4.45Å; V92-L94 HydrophobicContact CB-CD1 4.31Å; V92-L94 HydrophobicContact CG1-CD1 3.64Å; L94-L127 WeakPolarHBondContact CA-O 3.48Å; L94-L127 HydrophobicContact CD1-CD1 4.4Å; L94-L127 HydrophobicContact CG-CB 4.1Å; L94-L127 HydrophobicContact CG-CD1 4.48Å
95	V	98.7	Very high	96.3	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.5	175.4	-176.5	0	0	0	0	109.2	F93 V97 L103 A106 V126 L127 N129 L142 L146	F93-V95 HydrophobicContact CD1-CG2 3.79Å; F93-V95 HydrophobicContact CE1-CG2 3.71Å; V95-V97 PolarHBondContact O-N 2.95Å; V95-L103 HydrophobicContact CG1-CD2 3.59Å; V95-A106 HydrophobicContact CG1-CB 4.27Å; V95-A106 HydrophobicContact CG2-CB 4.4Å; V95-V126 HydrophobicContact CG2-CG1 4.38Å; V95-L127 PolarHBondContact N-O 3.31Å; V95-N129 PolarHBondContact O-N 3.11Å; V95-L142 HydrophobicContact CG1-CD1 4.1Å; V95-L146 HydrophobicContact CG2-CD1 3.99Å; V95-L146 HydrophobicContact CG2-CD2 4.28Å
96	D	98	Very high	96.4	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	104.2	169.2	-175	-11.7	0	0	0	109.1	N30 A98 D99 K130	N30-D96 PolarHBondContact ND2-OD2 3.46Å; D96-A98 PolarHBondContact O-N 3.26Å; D96-A98 WeakPolarHBondContact OD1-CB 3.17Å; D96-A98 PolarHBondContact OD1-N 2.96Å; D96-D99 HydrophobicContact CB-CB 3.96Å; D96-D99 PolarHBondContact O-N 2.73Å; D96-D99 VanDerWaalsContact O-N 3.15Å; D96-D99 PolarHBondContact OD1-N 2.86Å; D96-K130 HydrophobicContact CB-CD 4.5Å; D96-K130 WeakPolarHBondContact OD1-CD 3.38Å; D96-K130 WeakPolarHBondContact OD2-CD 3.32Å; D96-K130 VanDerWaalsContact OD2-CE 3.23Å; D96-K130 WeakPolarHBondContact OD2-CE 3.28Å; D96-K130 IonicContact OD2-NZ 3.22Å; D96-K130 PolarHBondContact OD2-NZ 2.87Å
97	V	98.3	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.3	-175.9	-52.1	0	0	0	0	113	V95 N129 I131 P136 I137 L142 M172	V95-V97 PolarHBondContact O-N 2.95Å; V97-N129 VanDerWaalsContact CG2-O 3.25Å; V97-N129 WeakPolarHBondContact CG2-O 3.5Å; V97-N129 PolarHBondContact N-O 2.58Å; V97-I131 HydrophobicContact CG2-CG2 4Å; V97-P136 WeakPolarHBondContact O-CG 3.43Å; V97-I137 HydrophobicContact CB-CG2 3.75Å; V97-I137 HydrophobicContact CG1-CG2 4.49Å; V97-L142 HydrophobicContact CG1-CD1 4.37Å; V97-L142 HydrophobicContact CG1-CD2 3.84Å; V97-M172 HydrophobicContact CB-CE 4.18Å; V97-M172 HydrophobicContact CG1-CE 3.79Å; V97-M172 HydrophobicContact CG2-CE 4.12Å
98	A	97.1	Very high	97.2	Very high	34 Å²	34	37 Å²	37	28%	0.281	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.9	171.9	0	0	0	0	0	112.3	D96 L100 K133	D96-A98 PolarHBondContact O-N 3.26Å; D96-A98 WeakPolarHBondContact OD1-CB 3.17Å; D96-A98 PolarHBondContact OD1-N 2.96Å; A98-L100 PolarHBondContact O-N 3.27Å; A98-K133 HydrophobicContact CB-CB 3.72Å; A98-K133 HydrophobicContact CB-CD 3.71Å; A98-K133 HydrophobicContact CB-CG 4.34Å
99	D	96.9	Very high	97.5	Very high	45 Å²	45	38 Å²	38	24%	0.241	21%	0.209	C	C	.	.			trans	-97.8	66.7	-180	-166.3	-5.7	0	0	0	111.1	D96 G101 R102	D96-D99 HydrophobicContact CB-CB 3.96Å; D96-D99 PolarHBondContact O-N 2.73Å; D96-D99 VanDerWaalsContact O-N 3.15Å; D96-D99 PolarHBondContact OD1-N 2.86Å; D99-G101 PolarHBondContact O-N 3.01Å; D99-G101 VanDerWaalsContact O-N 3.11Å; D99-R102 PolarHBondContact O-N 3.1Å; D99-R102 VanDerWaalsContact O-N 3.09Å; D99-R102 IonicContact OD2-CZ 3.17Å; D99-R102 IonicContact OD2-NE 3.78Å; D99-R102 PolarHBondContact OD2-NE 2.66Å; D99-R102 IonicContact OD2-NH2 2.63Å; D99-R102 PolarHBondContact OD2-NH2 2.84Å
100	L	96.9	Very high	97.8	Very high	89 Å²	89	35 Å²	35	47%	0.466	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-57.3	-28.5	-177.1	-61	-176.2	0	0	0	112.9	A98 R102 L103 P136 I137	A98-L100 PolarHBondContact O-N 3.27Å; L100-R102 PolarHBondContact O-N 2.59Å; L100-L103 HydrophobicContact CD2-CD1 3.71Å; L100-L103 PolarHBondContact O-N 2.81Å; L100-P136 HydrophobicContact CD1-CB 4.22Å; L100-P136 HydrophobicContact CD1-CG 4.27Å; L100-P136 HydrophobicContact CD2-CG 4.09Å; L100-P136 HydrophobicContact CG-CG 4.2Å; L100-I137 HydrophobicContact CD2-CB 4.26Å; L100-I137 HydrophobicContact CD2-CG2 4.34Å
101	G	96.9	Very high	98	Very high	74 Å²	74	38.7 Å²	38.7	76%	0.763	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-66.6	-20.9	-179.6	0	0	0	0	0	114	D99	D99-G101 PolarHBondContact O-N 3.01Å; D99-G101 VanDerWaalsContact O-N 3.11Å
102	R	97.9	Very high	98	Very high	56 Å²	56	41 Å²	41	21%	0.211	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-113.6	10.8	-179.1	-63.2	-163.7	-66.1	162.8	5.3	114.3	L28 D29 D99 L100 N104 E105 A106	L28-R102 HydrophobicContact CD1-CB 3.88Å; D29-R102 VanDerWaalsContact CG-NH1 3.27Å; D29-R102 PolarHBondContact O-NH2 3.38Å; D29-R102 VanDerWaalsContact O-NH2 3.1Å; D29-R102 IonicContact OD1-NH1 2.66Å; D29-R102 PolarHBondContact OD1-NH1 2.86Å; D29-R102 VanDerWaalsContact OD1-NH1 3.08Å; D29-R102 IonicContact OD2-CZ 2.73Å; D29-R102 IonicContact OD2-NH1 3.66Å; D29-R102 PolarHBondContact OD2-NH1 2.85Å; D29-R102 IonicContact OD2-NH2 2.96Å; D99-R102 PolarHBondContact O-N 3.1Å; D99-R102 VanDerWaalsContact O-N 3.09Å; D99-R102 IonicContact OD2-CZ 3.17Å; D99-R102 IonicContact OD2-NE 3.78Å; D99-R102 PolarHBondContact OD2-NE 2.66Å; D99-R102 IonicContact OD2-NH2 2.63Å; D99-R102 PolarHBondContact OD2-NH2 2.84Å; L100-R102 PolarHBondContact O-N 2.59Å; R102-N104 VanDerWaalsContact C-N 3.3Å; R102-N104 PolarHBondContact O-N 3.27Å; R102-E105 WeakPolarHBondContact CD-OE2 3.47Å; R102-E105 PolarHBondContact O-N 3.27Å; R102-A106 PolarHBondContact O-N 2.93Å
103	L	98	Very high	98	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-36.1	176.5	-72.7	-179.5	0	0	0	112.9	V95 L100 A106 R107 I137 L142 A145	V95-L103 HydrophobicContact CG1-CD2 3.59Å; L100-L103 HydrophobicContact CD2-CD1 3.71Å; L100-L103 PolarHBondContact O-N 2.81Å; L103-A106 PolarHBondContact O-N 2.98Å; L103-R107 WeakPolarHBondContact O-CB 3.45Å; L103-R107 PolarHBondContact O-N 3.31Å; L103-I137 HydrophobicContact CD1-CD1 3.76Å; L103-L142 HydrophobicContact CD2-CD1 3.95Å; L103-A145 HydrophobicContact CD1-CB 4.23Å
104	N	98.3	Very high	97.8	Very high	113 Å²	113	42.2 Å²	42.2	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-66.6	-41	175.8	-70.7	-15.2	0	0	0	111.7	R102 A106 R107 E108	R102-N104 VanDerWaalsContact C-N 3.3Å; R102-N104 PolarHBondContact O-N 3.27Å; N104-A106 VanDerWaalsContact C-N 3.33Å; N104-A106 PolarHBondContact O-N 2.95Å; N104-R107 WeakPolarHBondContact O-CB 3.41Å; N104-R107 PolarHBondContact O-N 3.43Å; N104-E108 WeakPolarHBondContact O-CG 3.28Å; N104-E108 PolarHBondContact O-N 2.87Å
105	E	98.6	Very high	97.7	Very high	54 Å²	54	47.4 Å²	47.4	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-39.7	175.1	-176.1	-177	-170.2	0	0	111.1	L28 R78 R102 R107 E108 E109	L28-E105 HydrophobicContact CD1-CB 3.96Å; L28-E105 HydrophobicContact CD1-CG 3.89Å; L28-E105 HydrophobicContact CD2-CG 3.93Å; R78-E105 IonicContact CZ-OE1 3.81Å; R78-E105 IonicContact NH1-OE1 2.9Å; R78-E105 PolarHBondContact NH1-OE1 3.01Å; R78-E105 IonicContact NH2-OE1 3.08Å; R78-E105 PolarHBondContact NH2-OE1 3.31Å; R102-E105 WeakPolarHBondContact CD-OE2 3.47Å; R102-E105 PolarHBondContact O-N 3.27Å; E105-R107 VanDerWaalsContact C-N 3.32Å; E105-R107 PolarHBondContact O-N 2.9Å; E105-E108 PolarHBondContact O-N 3.45Å; E105-E109 WeakPolarHBondContact O-CG 3.31Å; E105-E109 PolarHBondContact O-N 2.87Å
106	A	98.7	Very high	97.5	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-65.6	-36.7	174.7	0	0	0	0	0	112	L28 F93 V95 R102 L103 N104 L110 L146	L28-A106 HydrophobicContact CD1-CB 3.95Å; L28-A106 HydrophobicContact CG-CB 4.12Å; F93-A106 WeakPolarHBondContact CZ-O 3.33Å; V95-A106 HydrophobicContact CG1-CB 4.27Å; V95-A106 HydrophobicContact CG2-CB 4.4Å; R102-A106 PolarHBondContact O-N 2.93Å; L103-A106 PolarHBondContact O-N 2.98Å; N104-A106 VanDerWaalsContact C-N 3.33Å; N104-A106 PolarHBondContact O-N 2.95Å; A106-L110 WeakPolarHBondContact O-CB 3.23Å; A106-L110 PolarHBondContact O-N 3.23Å; A106-L146 HydrophobicContact CB-CD2 4.22Å
107	R	98.7	Very high	97.4	Very high	79 Å²	79	55 Å²	55	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-50	173.6	178.1	-162	179.1	101.1	8.1	111.2	L103 N104 E105 E109 L110 E111 S144 A145 L146 G147	L103-R107 WeakPolarHBondContact O-CB 3.45Å; L103-R107 PolarHBondContact O-N 3.31Å; N104-R107 WeakPolarHBondContact O-CB 3.41Å; N104-R107 PolarHBondContact O-N 3.43Å; E105-R107 VanDerWaalsContact C-N 3.32Å; E105-R107 PolarHBondContact O-N 2.9Å; R107-E109 VanDerWaalsContact C-N 3.28Å; R107-E109 PolarHBondContact O-N 3.24Å; R107-L110 CarbonylContact O-C 3.42Å; R107-L110 PolarHBondContact O-N 3.11Å; R107-L110 VanDerWaalsContact O-N 3.07Å; R107-E111 HydrophobicContact CG-CG 4.24Å; R107-E111 IonicContact CZ-OE1 2.68Å; R107-E111 IonicContact NE-OE1 3.55Å; R107-E111 PolarHBondContact NE-OE1 2.59Å; R107-E111 IonicContact NH2-OE1 3.26Å; R107-E111 PolarHBondContact NH2-OE1 3.41Å; R107-E111 WeakPolarHBondContact O-CG 3.42Å; R107-E111 PolarHBondContact O-N 3.26Å; R107-S144 PolarHBondContact NH1-O 2.95Å; R107-A145 VanDerWaalsContact CD-O 3.3Å; R107-A145 WeakPolarHBondContact CD-O 3.38Å; R107-A145 PolarHBondContact NH1-O 2.92Å; R107-L146 HydrophobicContact CB-CD2 4.32Å; R107-G147 VanDerWaalsContact NH1-N 3.11Å
108	E	98.5	Very high	97.2	Very high	122 Å²	122	60 Å²	60	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-56.7	-43.5	-179.6	-73	171.1	-177.1	0	0	111.6	N104 E105 E111 S112	N104-E108 WeakPolarHBondContact O-CG 3.28Å; N104-E108 PolarHBondContact O-N 2.87Å; E105-E108 PolarHBondContact O-N 3.45Å; E108-E111 PolarHBondContact O-N 3.08Å; E108-S112 WeakPolarHBondContact O-CB 3.4Å; E108-S112 PolarHBondContact O-N 3.12Å
109	E	98.4	Very high	97.1	Very high	39 Å²	39	58.5 Å²	58.5	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-38.1	175.8	-67.8	-55.9	158.6	0	0	113	L28 R78 W81 F93 E105 R107 L113	L28-E109 HydrophobicContact CD2-CG 4Å; R78-E109 IonicContact CZ-OE1 2.86Å; R78-E109 VanDerWaalsContact CZ-OE1 3.26Å; R78-E109 IonicContact NE-OE1 3.2Å; R78-E109 VanDerWaalsContact NH1-CD 3.3Å; R78-E109 IonicContact NH1-OE1 2.72Å; R78-E109 PolarHBondContact NH1-OE1 2.87Å; W81-E109 HydrophobicContact CH2-CB 4.27Å; W81-E109 HydrophobicContact CH2-CG 4.38Å; W81-E109 HydrophobicContact CZ3-CB 3.95Å; W81-E109 HydrophobicContact CZ3-CG 4.3Å; F93-E109 HydrophobicContact CE2-CB 4.27Å; F93-E109 HydrophobicContact CZ-CB 4.06Å; E105-E109 WeakPolarHBondContact O-CG 3.31Å; E105-E109 PolarHBondContact O-N 2.87Å; R107-E109 VanDerWaalsContact C-N 3.28Å; R107-E109 PolarHBondContact O-N 3.24Å; E109-L113 WeakPolarHBondContact O-CB 3.19Å; E109-L113 PolarHBondContact O-N 3.37Å
110	L	98.6	Very high	96.9	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.1	-38.7	176.4	-175.9	60.4	0	0	0	111.9	F93 A106 R107 L113 L114 I124 V126 L146 L148	F93-L110 HydrophobicContact CB-CD1 4.38Å; F93-L110 HydrophobicContact CD1-CD1 4.16Å; F93-L110 HydrophobicContact CD2-CD1 4.18Å; F93-L110 HydrophobicContact CE1-CB 4.02Å; F93-L110 HydrophobicContact CE1-CD1 4.49Å; F93-L110 HydrophobicContact CE2-CB 4.38Å; F93-L110 HydrophobicContact CG-CD1 3.99Å; F93-L110 HydrophobicContact CZ-CB 3.95Å; A106-L110 WeakPolarHBondContact O-CB 3.23Å; A106-L110 PolarHBondContact O-N 3.23Å; R107-L110 CarbonylContact O-C 3.42Å; R107-L110 PolarHBondContact O-N 3.11Å; R107-L110 VanDerWaalsContact O-N 3.07Å; L110-L113 HydrophobicContact CD1-CD2 4.09Å; L110-L113 WeakPolarHBondContact O-CB 3.43Å; L110-L113 PolarHBondContact O-N 3.03Å; L110-L114 HydrophobicContact CD1-CD1 4.46Å; L110-L114 HydrophobicContact CD1-CG 4.32Å; L110-L114 HydrophobicContact CG-CD1 3.98Å; L110-L114 HydrophobicContact CG-CG 4.32Å; L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 WeakPolarHBondContact O-CG 3.34Å; L110-L114 PolarHBondContact O-N 3.16Å; L110-I124 HydrophobicContact CD1-CG2 4.44Å; L110-V126 HydrophobicContact CD1-CG2 4.44Å; L110-V126 HydrophobicContact CD2-CG2 4.23Å; L110-L146 HydrophobicContact CD2-CB 4.04Å; L110-L146 HydrophobicContact CD2-CD1 4.17Å; L110-L148 HydrophobicContact CD2-CD1 3.89Å; L110-L148 HydrophobicContact CD2-CD2 3.96Å; L110-L148 HydrophobicContact CD2-CG 4.06Å
111	E	98	Very high	96.5	Very high	77 Å²	77	57.5 Å²	57.5	36%	0.36	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-41.9	174.9	-75.7	-178.5	168.1	0	0	111.3	R107 E108 L113 L114 T115	R107-E111 HydrophobicContact CG-CG 4.24Å; R107-E111 IonicContact CZ-OE1 2.68Å; R107-E111 IonicContact NE-OE1 3.55Å; R107-E111 PolarHBondContact NE-OE1 2.59Å; R107-E111 IonicContact NH2-OE1 3.26Å; R107-E111 PolarHBondContact NH2-OE1 3.41Å; R107-E111 WeakPolarHBondContact O-CG 3.42Å; R107-E111 PolarHBondContact O-N 3.26Å; E108-E111 PolarHBondContact O-N 3.08Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.28Å; E111-L114 PolarHBondContact O-N 3.41Å; E111-T115 WeakPolarHBondContact O-CG2 3.5Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 3.13Å
112	S	96.9	Very high	96.3	Very high	48 Å²	48	54.2 Å²	54.2	34%	0.336	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-43.3	172.2	179.9	0	0	0	0	111.4	E108 T115 D116	E108-S112 WeakPolarHBondContact O-CB 3.4Å; E108-S112 PolarHBondContact O-N 3.12Å; S112-T115 PolarHBondContact O-N 3.42Å; S112-T115 PolarHBondContact O-OG1 3.48Å; S112-D116 PolarHBondContact O-N 2.98Å
113	L	96.7	Very high	96.2	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-44.9	175.7	179.3	67.5	0	0	0	112.4	L26 F85 I91 F93 E109 L110 E111 T115 D116 V119 I124	L26-L113 HydrophobicContact CD1-CD1 3.82Å; L26-L113 HydrophobicContact CD1-CD2 4.04Å; F85-L113 HydrophobicContact CE1-CD1 4.02Å; F85-L113 HydrophobicContact CE2-CD1 3.97Å; F85-L113 HydrophobicContact CZ-CD1 3.46Å; F85-L113 VanDerWaalsContact CZ-CD1 3.46Å; I91-L113 HydrophobicContact CD1-CD1 3.74Å; I91-L113 HydrophobicContact CD1-CD2 4.4Å; I91-L113 HydrophobicContact CD1-CG 4.47Å; I91-L113 HydrophobicContact CG2-CD2 3.91Å; F93-L113 HydrophobicContact CD2-CD2 4Å; E109-L113 WeakPolarHBondContact O-CB 3.19Å; E109-L113 PolarHBondContact O-N 3.37Å; L110-L113 HydrophobicContact CD1-CD2 4.09Å; L110-L113 WeakPolarHBondContact O-CB 3.43Å; L110-L113 PolarHBondContact O-N 3.03Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.28Å; L113-T115 PolarHBondContact O-N 3.13Å; L113-D116 PolarHBondContact O-N 3.02Å; L113-V119 HydrophobicContact CD1-CG2 3.9Å; L113-I124 HydrophobicContact CD2-CD1 4.06Å; L113-I124 HydrophobicContact CG-CD1 4.16Å
114	L	96.2	Very high	96.2	Very high	23 Å²	23	51 Å²	51	12%	0.12	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-24.7	179.7	-73.5	167.9	0	0	0	112	L110 E111 I124 L148 R166 V168	L110-L114 HydrophobicContact CD1-CD1 4.46Å; L110-L114 HydrophobicContact CD1-CG 4.32Å; L110-L114 HydrophobicContact CG-CD1 3.98Å; L110-L114 HydrophobicContact CG-CG 4.32Å; L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 WeakPolarHBondContact O-CG 3.34Å; L110-L114 PolarHBondContact O-N 3.16Å; E111-L114 PolarHBondContact O-N 3.41Å; L114-I124 HydrophobicContact CD2-CD1 3.77Å; L114-L148 HydrophobicContact CD1-CD2 3.81Å; L114-R166 PolarHBondContact O-NH1 3.23Å; L114-R166 PolarHBondContact O-NH2 2.99Å; L114-V168 HydrophobicContact CD2-CG2 4.25Å
115	T	95	Very high	96.1	Very high	108 Å²	108	45.6 Å²	45.6	66%	0.663	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	1.9	179.1	53.7	0	0	0	0	113.6	E111 S112 L113	E111-T115 WeakPolarHBondContact O-CG2 3.5Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 3.13Å; S112-T115 PolarHBondContact O-N 3.42Å; S112-T115 PolarHBondContact O-OG1 3.48Å; L113-T115 PolarHBondContact O-N 3.13Å
116	D	96.1	Very high	96.1	Very high	14 Å²	14	43 Å²	43	8%	0.075	23%	0.228	C	C	.	.			trans	-81.9	120.2	179.7	-160.2	-64.1	0	0	0	112.1	K82 F85 S112 L113 Q118 V119 A120	K82-D116 WeakPolarHBondContact CD-OD2 3.38Å; K82-D116 VanDerWaalsContact CE-OD2 3.29Å; K82-D116 WeakPolarHBondContact CE-OD2 3.26Å; K82-D116 IonicContact NZ-OD2 3.26Å; K82-D116 PolarHBondContact NZ-OD2 3.29Å; F85-D116 HydrophobicContact CD2-CB 4.35Å; F85-D116 HydrophobicContact CE2-CB 4.05Å; S112-D116 PolarHBondContact O-N 2.98Å; L113-D116 PolarHBondContact O-N 3.02Å; D116-Q118 PolarHBondContact O-N 2.92Å; D116-Q118 VanDerWaalsContact OD1-CB 3.31Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.33Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.47Å; D116-Q118 PolarHBondContact OD1-N 2.88Å; D116-Q118 PolarHBondContact OD1-NE2 2.87Å; D116-V119 HydrophobicContact CB-CG2 4.01Å; D116-V119 PolarHBondContact O-N 3.32Å; D116-A120 PolarHBondContact O-N 3.42Å
117	E	94.1	Very high	96.2	Very high	161 Å²	161	42.9 Å²	42.9	75%	0.752	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-62.7	-27.4	-177.5	-66	-62.3	156.3	0	0	113.4	V119 A120	E117-V119 PolarHBondContact O-N 3.01Å; E117-A120 PolarHBondContact O-N 3.31Å
118	Q	95	Very high	96.2	Very high	106 Å²	106	39.1 Å²	39.1	50%	0.495	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-68.4	-23.2	-178.8	-62.8	175.9	94	0	0	112.6	F85 D116	F85-Q118 HydrophobicContact CB-CB 3.97Å; F85-Q118 HydrophobicContact CD2-CB 4.48Å; D116-Q118 PolarHBondContact O-N 2.92Å; D116-Q118 VanDerWaalsContact OD1-CB 3.31Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.33Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.47Å; D116-Q118 PolarHBondContact OD1-N 2.88Å; D116-Q118 PolarHBondContact OD1-NE2 2.87Å
119	V	95.2	Very high	96.2	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-122.4	19.3	-179.2	-63.4	0	0	0	0	111.6	F85 I91 L113 D116 E117 S121 C122	F85-V119 HydrophobicContact CB-CG1 3.74Å; F85-V119 HydrophobicContact CD1-CG1 4.21Å; F85-V119 HydrophobicContact CD2-CG1 4Å; F85-V119 HydrophobicContact CD2-CG2 4.23Å; F85-V119 HydrophobicContact CE2-CG2 4.34Å; F85-V119 HydrophobicContact CG-CG1 3.72Å; I91-V119 HydrophobicContact CD1-CB 3.94Å; I91-V119 HydrophobicContact CD1-CG1 3.83Å; I91-V119 HydrophobicContact CD1-CG2 4.19Å; L113-V119 HydrophobicContact CD1-CG2 3.9Å; D116-V119 HydrophobicContact CB-CG2 4.01Å; D116-V119 PolarHBondContact O-N 3.32Å; E117-V119 PolarHBondContact O-N 3.01Å; V119-S121 PolarHBondContact O-N 3.46Å; V119-C122 HydrophobicContact CB-CB 3.9Å; V119-C122 VanDerWaalsContact O-CB 3.26Å; V119-C122 WeakPolarHBondContact O-CB 3.24Å; V119-C122 PolarHBondContact O-N 2.81Å
120	A	92.7	Very high	96.1	Very high	35 Å²	35	32.9 Å²	32.9	29%	0.289	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.8	-175.6	0	0	0	0	0	113.6	D116 E117 R166	D116-A120 PolarHBondContact O-N 3.42Å; E117-A120 PolarHBondContact O-N 3.31Å; A120-R166 WeakPolarHBondContact O-CB 3.37Å; A120-R166 PolarHBondContact O-NE 3.31Å
121	S	88.7	Confident	96.1	Very high	78 Å²	78	34.9 Å²	34.9	55%	0.545	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-10.1	178.6	67.1	0	0	0	0	113.6	V119 R160	V119-S121 PolarHBondContact O-N 3.46Å; S121-R160 PolarHBondContact O-NH2 2.88Å
122	C	92.7	Very high	96	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.027	19%	0.19	C	C	.	.	S	Bend	trans	-72.4	132	-171.3	-167.1	0	0	0	0	110.9	V88 A90 V119	V88-C122 PolarHBondContact O-SG 2.89Å; A90-C122 WeakPolarHBondContact CA-SG 3.01Å; A90-C122 PolarHBondContact N-SG 3.07Å; V119-C122 HydrophobicContact CB-CB 3.9Å; V119-C122 VanDerWaalsContact O-CB 3.26Å; V119-C122 WeakPolarHBondContact O-CB 3.24Å; V119-C122 PolarHBondContact O-N 2.81Å
123	P	94.9	Very high	95.9	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.013	20%	0.2	C	C	.	.			trans	-66.8	135.8	172.8	29.2	-35.5	0	0	0	111.1	D89 A90 I91 P167 L188 F191	D89-P123 WeakPolarHBondContact O-CD 3.31Å; D89-P123 WeakPolarHBondContact O-CG 3.42Å; A90-P123 HydrophobicContact CB-CG 4.04Å; I91-P123 PolarHBondContact N-O 2.8Å; P123-P167 CarbonylContact C-O 3.54Å; P123-P167 VanDerWaalsContact CA-O 3.32Å; P123-P167 WeakPolarHBondContact CA-O 3.34Å; P123-P167 HydrophobicContact CB-CB 3.89Å; P123-P167 HydrophobicContact CB-CG 4.01Å; P123-L188 HydrophobicContact CB-CD1 3.79Å; P123-L188 HydrophobicContact CG-CD1 3.96Å; P123-F191 HydrophobicContact CB-CB 3.83Å; P123-F191 HydrophobicContact CB-CG 4.49Å; P123-F191 HydrophobicContact CG-CB 3.99Å
124	I	97.7	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	112.5	-179.7	-58.1	174.6	0	0	0	109.6	I91 F93 L110 L113 L114 V126 P167 V168 E169 W187	I91-I124 HydrophobicContact CB-CG1 4.33Å; I91-I124 WeakPolarHBondContact O-CA 3.49Å; F93-I124 HydrophobicContact CB-CG2 4.45Å; L110-I124 HydrophobicContact CD1-CG2 4.44Å; L113-I124 HydrophobicContact CD2-CD1 4.06Å; L113-I124 HydrophobicContact CG-CD1 4.16Å; L114-I124 HydrophobicContact CD2-CD1 3.77Å; I124-V126 HydrophobicContact CG2-CG2 4.1Å; I124-P167 PolarHBondContact N-O 3.42Å; I124-V168 HydrophobicContact CB-CG1 4.45Å; I124-V168 HydrophobicContact CB-CG2 4.31Å; I124-V168 WeakPolarHBondContact O-CA 3.43Å; I124-E169 PolarHBondContact O-N 3.28Å; I124-W187 WeakPolarHBondContact O-CH2 3.45Å
125	L	97.6	Very high	94.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.8	168.1	171.4	60.7	0	0	0	109.3	I91 V92 F93 L127 F171 G184 F185 W187 L188	I91-L125 PolarHBondContact O-N 2.85Å; V92-L125 CarbonylContact C-O 3.49Å; V92-L125 VanDerWaalsContact CA-O 3.28Å; V92-L125 WeakPolarHBondContact CA-O 3.2Å; V92-L125 HydrophobicContact CG1-CB 4.43Å; V92-L125 HydrophobicContact CG1-CD2 4.05Å; V92-L125 HydrophobicContact CG1-CG 4.15Å; V92-L125 HydrophobicContact CG2-CB 4.42Å; V92-L125 HydrophobicContact CG2-CD2 4.26Å; F93-L125 PolarHBondContact N-O 3.26Å; L125-L127 HydrophobicContact CD1-CD2 3.97Å; L125-L127 HydrophobicContact CD2-CD1 4.47Å; L125-L127 HydrophobicContact CD2-CD2 4.09Å; L125-L127 HydrophobicContact CD2-CG 4.22Å; L125-L127 HydrophobicContact CG-CD2 4.02Å; L125-L127 HydrophobicContact CG-CG 4.08Å; L125-F171 HydrophobicContact CD1-CD2 3.46Å; L125-F171 VanDerWaalsContact CD1-CD2 3.46Å; L125-F171 HydrophobicContact CD1-CE2 4.02Å; L125-F171 HydrophobicContact CD1-CG 4.34Å; L125-G184 VanDerWaalsContact CD2-C 3.42Å; L125-G184 WeakPolarHBondContact CD2-O 3.34Å; L125-F185 HydrophobicContact CD2-CD2 4.4Å; L125-F185 HydrophobicContact CD2-CG 4.45Å; L125-W187 HydrophobicContact CB-CE3 4.28Å; L125-W187 HydrophobicContact CB-CZ3 3.92Å; L125-W187 HydrophobicContact CD1-CE3 3.98Å; L125-W187 HydrophobicContact CD1-CZ3 4.27Å; L125-L188 HydrophobicContact CB-CB 4.34Å; L125-L188 HydrophobicContact CB-CD1 4.18Å; L125-L188 HydrophobicContact CB-CD2 4.09Å; L125-L188 HydrophobicContact CB-CG 4.42Å; L125-L188 HydrophobicContact CD2-CB 4.25Å; L125-L188 HydrophobicContact CD2-CD2 4.2Å
126	V	98.8	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.9	171.9	-178.7	0	0	0	0	109.3	F93 V95 L110 I124 L146 L148 E169 V170 F171	F93-V126 HydrophobicContact CB-CG2 4.41Å; F93-V126 CarbonylContact O-C 3.57Å; F93-V126 VanDerWaalsContact O-CA 3.32Å; F93-V126 WeakPolarHBondContact O-CA 3.37Å; V95-V126 HydrophobicContact CG2-CG1 4.38Å; L110-V126 HydrophobicContact CD1-CG2 4.44Å; L110-V126 HydrophobicContact CD2-CG2 4.23Å; I124-V126 HydrophobicContact CG2-CG2 4.1Å; V126-L146 HydrophobicContact CG1-CD1 3.82Å; V126-L148 HydrophobicContact CG2-CD1 4.03Å; V126-E169 PolarHBondContact N-O 3.05Å; V126-V170 HydrophobicContact CB-CB 4.49Å; V126-V170 HydrophobicContact CB-CG2 4.04Å; V126-V170 HydrophobicContact CG1-CG1 4.34Å; V126-V170 HydrophobicContact CG1-CG2 4.3Å; V126-V170 CarbonylContact O-C 3.6Å; V126-V170 WeakPolarHBondContact O-CA 3.08Å; V126-F171 PolarHBondContact O-N 2.91Å
127	L	98.8	Very high	94	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	107.7	176.9	-69.2	-176.9	0	0	0	110.3	L36 V92 F93 L94 V95 L125 N129 F171 F185	L36-L127 HydrophobicContact CD2-CD1 3.65Å; V92-L127 HydrophobicContact CG1-CD1 3.59Å; V92-L127 HydrophobicContact CG1-CG 3.86Å; F93-L127 PolarHBondContact O-N 3Å; L94-L127 WeakPolarHBondContact CA-O 3.48Å; L94-L127 HydrophobicContact CD1-CD1 4.4Å; L94-L127 HydrophobicContact CG-CB 4.1Å; L94-L127 HydrophobicContact CG-CD1 4.48Å; V95-L127 PolarHBondContact N-O 3.31Å; L125-L127 HydrophobicContact CD1-CD2 3.97Å; L125-L127 HydrophobicContact CD2-CD1 4.47Å; L125-L127 HydrophobicContact CD2-CD2 4.09Å; L125-L127 HydrophobicContact CD2-CG 4.22Å; L125-L127 HydrophobicContact CG-CD2 4.02Å; L125-L127 HydrophobicContact CG-CG 4.08Å; L127-N129 PolarHBondContact O-N 2.74Å; L127-F171 CarbonylContact C-O 3.57Å; L127-F171 WeakPolarHBondContact CA-O 3.44Å; L127-F171 HydrophobicContact CD2-CB 3.92Å; L127-F185 HydrophobicContact CD1-CE2 4.39Å
128	G	98.7	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	87.5	168	0	0	0	0	0	110.4	F171 M172 C173	G128-F171 PolarHBondContact N-O 3.29Å; G128-M172 CarbonylContact O-C 3.57Å; G128-M172 WeakPolarHBondContact O-CA 3.4Å; G128-C173 PolarHBondContact O-N 3.42Å
129	N	98.5	Very high	94.2	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.032	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	160.2	-173.5	-172.1	30.5	0	0	0	113.1	A31 V95 V97 L127 C173 V175	A31-N129 PolarHBondContact O-ND2 2.91Å; V95-N129 PolarHBondContact O-N 3.11Å; V97-N129 VanDerWaalsContact CG2-O 3.25Å; V97-N129 WeakPolarHBondContact CG2-O 3.5Å; V97-N129 PolarHBondContact N-O 2.58Å; L127-N129 PolarHBondContact O-N 2.74Å; N129-C173 CarbonylContact C-O 3.58Å; N129-C173 VanDerWaalsContact CA-O 3.3Å; N129-C173 WeakPolarHBondContact CA-O 3.34Å; N129-V175 WeakPolarHBondContact OD1-CG2 3.25Å; N129-V175 PolarHBondContact OD1-N 3.13Å; N129-V175 VanDerWaalsContact OD1-N 3.11Å
130	K	97.6	Very high	94.3	Very high	23 Å²	23	36.4 Å²	36.4	10%	0.1	22%	0.223	C	C	.	.			trans	73.8	33.5	177.1	-45.8	-164.3	-162.1	167.1	0	115.1	N30 D96 D132 K133 C173	N30-K130 PolarHBondContact ND2-NZ 3.27Å; N30-K130 VanDerWaalsContact ND2-NZ 3.13Å; N30-K130 WeakPolarHBondContact O-CE 3.41Å; N30-K130 PolarHBondContact O-NZ 3.43Å; N30-K130 PolarHBondContact OD1-NZ 3.04Å; D96-K130 HydrophobicContact CB-CD 4.5Å; D96-K130 WeakPolarHBondContact OD1-CD 3.38Å; D96-K130 WeakPolarHBondContact OD2-CD 3.32Å; D96-K130 VanDerWaalsContact OD2-CE 3.23Å; D96-K130 WeakPolarHBondContact OD2-CE 3.28Å; D96-K130 IonicContact OD2-NZ 3.22Å; D96-K130 PolarHBondContact OD2-NZ 2.87Å; K130-D132 WeakPolarHBondContact CA-OD1 3.48Å; K130-D132 PolarHBondContact O-N 2.85Å; K130-D132 VanDerWaalsContact O-N 3.1Å; K130-K133 HydrophobicContact CB-CD 4.34Å; K130-K133 HydrophobicContact CB-CG 4.46Å; K130-K133 HydrophobicContact CD-CD 4.36Å; K130-K133 PolarHBondContact O-N 3.39Å; K130-C173 PolarHBondContact N-O 2.69Å
131	I	97.8	Very high	94.5	Very high	43 Å²	43	39.8 Å²	39.8	22%	0.221	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.3	-21.4	170.8	66.2	-178.8	0	0	0	113	V97 K133 G134 A135 M172 C173	V97-I131 HydrophobicContact CG2-CG2 4Å; I131-K133 PolarHBondContact O-N 2.84Å; I131-G134 PolarHBondContact O-N 2.75Å; I131-A135 HydrophobicContact CB-CB 3.9Å; I131-A135 HydrophobicContact CG2-CB 4.22Å; I131-A135 PolarHBondContact O-N 3.46Å; I131-A135 VanDerWaalsContact O-N 3.14Å; I131-M172 HydrophobicContact CG2-CB 4.07Å; I131-M172 HydrophobicContact CG2-CE 3.92Å; I131-C173 WeakPolarHBondContact CG1-O 3.46Å; I131-C173 PolarHBondContact N-O 3.49Å
132	D	96.1	Very high	94.9	Very high	55 Å²	55	36.1 Å²	36.1	29%	0.294	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-62.8	-17.3	174.5	57.5	-86.2	0	0	0	114.2	K130 G134 S174 L176 K177	K130-D132 WeakPolarHBondContact CA-OD1 3.48Å; K130-D132 PolarHBondContact O-N 2.85Å; K130-D132 VanDerWaalsContact O-N 3.1Å; D132-G134 PolarHBondContact O-N 3.09Å; D132-S174 VanDerWaalsContact OD1-CB 3.29Å; D132-S174 WeakPolarHBondContact OD1-CB 3.39Å; D132-S174 PolarHBondContact OD1-OG 3.3Å; D132-L176 WeakPolarHBondContact OD2-CD2 3.42Å; D132-K177 HydrophobicContact CB-CG 3.76Å
133	K	95.4	Very high	95.2	Very high	127 Å²	127	36.6 Å²	36.6	55%	0.552	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-83.9	20.4	174.1	-66.6	-173.6	171.7	-173	0	113.7	A98 K130 I131	A98-K133 HydrophobicContact CB-CB 3.72Å; A98-K133 HydrophobicContact CB-CD 3.71Å; A98-K133 HydrophobicContact CB-CG 4.34Å; K130-K133 HydrophobicContact CB-CD 4.34Å; K130-K133 HydrophobicContact CB-CG 4.46Å; K130-K133 HydrophobicContact CD-CD 4.36Å; K130-K133 PolarHBondContact O-N 3.39Å; I131-K133 PolarHBondContact O-N 2.84Å
134	G	84.6	Confident	95.3	Very high	64 Å²	64	40 Å²	40	66%	0.66	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.9	4.2	177.6	0	0	0	0	0	115	I131 D132	I131-G134 PolarHBondContact O-N 2.75Å; D132-G134 PolarHBondContact O-N 3.09Å
135	A	77.4	Confident	95.4	Very high	43 Å²	43	41.1 Å²	41.1	36%	0.355	24%	0.242	S	C	.	.			trans	39.4	64.4	174.2	0	0	0	0	0	113.6	I131 I137	I131-A135 HydrophobicContact CB-CB 3.9Å; I131-A135 HydrophobicContact CG2-CB 4.22Å; I131-A135 PolarHBondContact O-N 3.46Å; I131-A135 VanDerWaalsContact O-N 3.14Å; A135-I137 PolarHBondContact O-N 2.77Å
136	P	87.1	Confident	95.4	Very high	70 Å²	70	41.1 Å²	41.1	46%	0.455	24%	0.242	S	C	.	.			trans	-66.4	-6.4	-171.8	30.7	-37.5	0	0	0	113.5	V97 L100	V97-P136 WeakPolarHBondContact O-CG 3.43Å; L100-P136 HydrophobicContact CD1-CB 4.22Å; L100-P136 HydrophobicContact CD1-CG 4.27Å; L100-P136 HydrophobicContact CD2-CG 4.09Å; L100-P136 HydrophobicContact CG-CG 4.2Å
137	I	95.6	Very high	95.3	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.082	25%	0.252	C	S	.	.	S	Bend	trans	-134.6	136.5	-177.4	-166.6	171.6	0	0	0	110	V97 L100 L103 A135 Q141 L142 A145	V97-I137 HydrophobicContact CB-CG2 3.75Å; V97-I137 HydrophobicContact CG1-CG2 4.49Å; L100-I137 HydrophobicContact CD2-CB 4.26Å; L100-I137 HydrophobicContact CD2-CG2 4.34Å; L103-I137 HydrophobicContact CD1-CD1 3.76Å; A135-I137 PolarHBondContact O-N 2.77Å; I137-Q141 HydrophobicContact CD1-CB 3.75Å; I137-Q141 HydrophobicContact CG1-CB 3.2Å; I137-Q141 HydrophobicContact CG1-CG 4.31Å; I137-L142 HydrophobicContact CD1-CB 4.4Å; I137-A145 HydrophobicContact CD1-CB 4.44Å
138	S	95.9	Very high	95.2	Very high	56 Å²	56	42.1 Å²	42.1	39%	0.392	25%	0.252	S	S	.	.			trans	-76.9	166.9	173.7	75.5	0	0	0	0	111.8	E140 Q141 L142	S138-E140 VanDerWaalsContact C-N 3.28Å; S138-E140 PolarHBondContact O-N 3.2Å; S138-Q141 PolarHBondContact O-N 3.08Å; S138-Q141 WeakPolarHBondContact OG-CG 3.41Å; S138-Q141 PolarHBondContact OG-N 3.28Å; S138-Q141 PolarHBondContact OG-OE1 2.93Å; S138-L142 WeakPolarHBondContact O-CB 3.41Å; S138-L142 PolarHBondContact O-N 2.93Å
139	E	96.7	Very high	94.8	Very high	43 Å²	43	50.7 Å²	50.7	20%	0.201	29%	0.286	C	S	.	.	H	α-helix	trans	-57.4	-41.2	174.4	-173	176.6	119.1	0	0	112.3	L142 K143 K155 V170 M172	E139-L142 PolarHBondContact O-N 3.23Å; E139-K143 WeakPolarHBondContact O-CG 3.29Å; E139-K143 PolarHBondContact O-N 3.17Å; E139-K143 WeakPolarHBondContact OE1-CE 3.29Å; E139-K143 IonicContact OE1-NZ 3.12Å; E139-K143 PolarHBondContact OE1-NZ 3.24Å; E139-K155 IonicContact OE1-NZ 2.73Å; E139-K155 PolarHBondContact OE1-NZ 3.33Å; E139-K155 IonicContact OE2-NZ 3.71Å; E139-K155 PolarHBondContact OE2-NZ 2.74Å; E139-V170 HydrophobicContact CG-CB 4.3Å; E139-V170 HydrophobicContact CG-CG1 4.1Å; E139-M172 HydrophobicContact CB-CG 3.68Å; E139-M172 HydrophobicContact CB-SD 4.15Å; E139-M172 HydrophobicContact CG-CG 4.07Å; E139-M172 HydrophobicContact CG-SD 4.4Å
140	E	96.5	Very high	94.3	Very high	99 Å²	99	53.9 Å²	53.9	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-68.5	-39.8	179.4	-68.8	-54	136.1	0	0	112.2	S138 L142 K143 S144	S138-E140 VanDerWaalsContact C-N 3.28Å; S138-E140 PolarHBondContact O-N 3.2Å; E140-L142 VanDerWaalsContact C-N 3.32Å; E140-K143 PolarHBondContact O-N 3.17Å; E140-K143 IonicContact OE1-NZ 2.69Å; E140-K143 PolarHBondContact OE1-NZ 3.49Å; E140-S144 WeakPolarHBondContact O-CB 3.3Å; E140-S144 PolarHBondContact O-N 3.29Å
141	Q	97.3	Very high	94	Very high	107 Å²	107	57.1 Å²	57.1	50%	0.5	34%	0.338	S	S	.	.	H	α-helix	trans	-66.2	-37.1	173.7	-70.6	172.1	-50	0	0	111.3	I137 S138 S144 A145	I137-Q141 HydrophobicContact CD1-CB 3.75Å; I137-Q141 HydrophobicContact CG1-CB 3.2Å; I137-Q141 HydrophobicContact CG1-CG 4.31Å; S138-Q141 PolarHBondContact O-N 3.08Å; S138-Q141 WeakPolarHBondContact OG-CG 3.41Å; S138-Q141 PolarHBondContact OG-N 3.28Å; S138-Q141 PolarHBondContact OG-OE1 2.93Å; Q141-S144 PolarHBondContact O-N 3.36Å; Q141-A145 WeakPolarHBondContact O-CB 3.42Å; Q141-A145 PolarHBondContact O-N 3.39Å
142	L	98.2	Very high	93.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-45.5	174.1	-178.1	64.1	0	0	0	111.4	V95 V97 L103 I137 S138 E139 E140 S144 A145 L146 V170 M172	V95-L142 HydrophobicContact CG1-CD1 4.1Å; V97-L142 HydrophobicContact CG1-CD1 4.37Å; V97-L142 HydrophobicContact CG1-CD2 3.84Å; L103-L142 HydrophobicContact CD2-CD1 3.95Å; I137-L142 HydrophobicContact CD1-CB 4.4Å; S138-L142 WeakPolarHBondContact O-CB 3.41Å; S138-L142 PolarHBondContact O-N 2.93Å; E139-L142 PolarHBondContact O-N 3.23Å; E140-L142 VanDerWaalsContact C-N 3.32Å; L142-S144 VanDerWaalsContact C-N 3.29Å; L142-S144 PolarHBondContact O-N 3.34Å; L142-A145 PolarHBondContact O-N 2.81Å; L142-L146 HydrophobicContact CD1-CD1 3.77Å; L142-L146 HydrophobicContact CD1-CG 3.92Å; L142-L146 HydrophobicContact CD2-CD1 4.47Å; L142-L146 HydrophobicContact CG-CD1 3.84Å; L142-L146 HydrophobicContact CG-CG 4.31Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.17Å; L142-V170 HydrophobicContact CD2-CG1 3.82Å; L142-V170 HydrophobicContact CG-CG1 4.47Å; L142-M172 HydrophobicContact CB-SD 4.47Å; L142-M172 HydrophobicContact CD2-CE 4.29Å; L142-M172 HydrophobicContact CD2-SD 3.59Å; L142-M172 VanDerWaalsContact CD2-SD 3.59Å
143	K	98.5	Very high	93.8	Very high	15 Å²	15	55.4 Å²	55.4	7%	0.065	33%	0.331	C	S	.	.	H	α-helix	trans	-55.5	-46.1	173.5	-76.1	173.4	-171.4	162.3	0	111.1	E139 E140 G147 L148 T152 E169 V170	E139-K143 WeakPolarHBondContact O-CG 3.29Å; E139-K143 PolarHBondContact O-N 3.17Å; E139-K143 WeakPolarHBondContact OE1-CE 3.29Å; E139-K143 IonicContact OE1-NZ 3.12Å; E139-K143 PolarHBondContact OE1-NZ 3.24Å; E140-K143 PolarHBondContact O-N 3.17Å; E140-K143 IonicContact OE1-NZ 2.69Å; E140-K143 PolarHBondContact OE1-NZ 3.49Å; K143-G147 PolarHBondContact O-N 3.19Å; K143-G147 VanDerWaalsContact O-N 3.14Å; K143-L148 HydrophobicContact CB-CB 4.34Å; K143-L148 PolarHBondContact O-N 3.44Å; K143-T152 HydrophobicContact CD-CG2 4.23Å; K143-T152 HydrophobicContact CG-CG2 4.4Å; K143-E169 WeakPolarHBondContact CE-OE1 3.21Å; K143-E169 IonicContact NZ-OE1 2.74Å; K143-V170 HydrophobicContact CD-CG2 4.5Å; K143-V170 HydrophobicContact CG-CB 4.14Å; K143-V170 HydrophobicContact CG-CG2 3.62Å
144	S	97.5	Very high	93.7	Very high	72 Å²	72	50.7 Å²	50.7	50%	0.503	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-47	176.9	-172.7	0	0	0	0	112.1	R107 E140 Q141 L142 L146 G147	R107-S144 PolarHBondContact NH1-O 2.95Å; E140-S144 WeakPolarHBondContact O-CB 3.3Å; E140-S144 PolarHBondContact O-N 3.29Å; Q141-S144 PolarHBondContact O-N 3.36Å; L142-S144 VanDerWaalsContact C-N 3.29Å; L142-S144 PolarHBondContact O-N 3.34Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 3.39Å; S144-G147 PolarHBondContact O-N 3.38Å; S144-G147 VanDerWaalsContact O-N 3.17Å
145	A	97.9	Very high	94.1	Very high	25 Å²	25	51.5 Å²	51.5	21%	0.207	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-42.6	-179.6	0	0	0	0	0	111.6	L103 R107 I137 Q141 L142 G147	L103-A145 HydrophobicContact CD1-CB 4.23Å; R107-A145 VanDerWaalsContact CD-O 3.3Å; R107-A145 WeakPolarHBondContact CD-O 3.38Å; R107-A145 PolarHBondContact NH1-O 2.92Å; I137-A145 HydrophobicContact CD1-CB 4.44Å; Q141-A145 WeakPolarHBondContact O-CB 3.42Å; Q141-A145 PolarHBondContact O-N 3.39Å; L142-A145 PolarHBondContact O-N 2.81Å; A145-G147 VanDerWaalsContact C-N 3.26Å; A145-G147 PolarHBondContact O-N 3.43Å
146	L	98.6	Very high	94.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-0.5	179	-64.4	179.7	0	0	0	114.3	V95 A106 R107 L110 V126 L142 S144 L148	V95-L146 HydrophobicContact CG2-CD1 3.99Å; V95-L146 HydrophobicContact CG2-CD2 4.28Å; A106-L146 HydrophobicContact CB-CD2 4.22Å; R107-L146 HydrophobicContact CB-CD2 4.32Å; L110-L146 HydrophobicContact CD2-CB 4.04Å; L110-L146 HydrophobicContact CD2-CD1 4.17Å; V126-L146 HydrophobicContact CG1-CD1 3.82Å; L142-L146 HydrophobicContact CD1-CD1 3.77Å; L142-L146 HydrophobicContact CD1-CG 3.92Å; L142-L146 HydrophobicContact CD2-CD1 4.47Å; L142-L146 HydrophobicContact CG-CD1 3.84Å; L142-L146 HydrophobicContact CG-CG 4.31Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.17Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 3.39Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 HydrophobicContact CB-CD1 4.06Å; L146-L148 HydrophobicContact CB-CG 4Å; L146-L148 HydrophobicContact CD1-CD1 4.22Å; L146-L148 PolarHBondContact O-N 3.17Å
147	G	97.2	Very high	93.8	Very high	20 Å²	20	57 Å²	57	21%	0.206	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	19.6	179.8	0	0	0	0	0	114.2	R107 K143 S144 A145 L151	R107-G147 VanDerWaalsContact NH1-N 3.11Å; K143-G147 PolarHBondContact O-N 3.19Å; K143-G147 VanDerWaalsContact O-N 3.14Å; S144-G147 PolarHBondContact O-N 3.38Å; S144-G147 VanDerWaalsContact O-N 3.17Å; A145-G147 VanDerWaalsContact C-N 3.26Å; A145-G147 PolarHBondContact O-N 3.43Å; G147-L151 VanDerWaalsContact O-CD1 3.31Å; G147-L151 WeakPolarHBondContact O-CD1 3.47Å
148	L	97.1	Very high	92.7	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.334	C	S	.	.			trans	-91.5	-0.9	-178.2	-62.4	176.7	0	0	0	113.7	L110 L114 V126 K143 L146 G150 L151 T152 V168 V170	L110-L148 HydrophobicContact CD2-CD1 3.89Å; L110-L148 HydrophobicContact CD2-CD2 3.96Å; L110-L148 HydrophobicContact CD2-CG 4.06Å; L114-L148 HydrophobicContact CD1-CD2 3.81Å; V126-L148 HydrophobicContact CG2-CD1 4.03Å; K143-L148 HydrophobicContact CB-CB 4.34Å; K143-L148 PolarHBondContact O-N 3.44Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 HydrophobicContact CB-CD1 4.06Å; L146-L148 HydrophobicContact CB-CG 4Å; L146-L148 HydrophobicContact CD1-CD1 4.22Å; L146-L148 PolarHBondContact O-N 3.17Å; L148-G150 PolarHBondContact O-N 3.14Å; L148-G150 VanDerWaalsContact O-N 3.13Å; L148-L151 PolarHBondContact O-N 2.73Å; L148-T152 HydrophobicContact CB-CG2 4.23Å; L148-T152 PolarHBondContact O-N 2.92Å; L148-V168 HydrophobicContact CD2-CG1 4.22Å; L148-V170 HydrophobicContact CD1-CG2 3.52Å
149	Y	89.9	Confident	91.7	Very high	181 Å²	181	58.2 Å²	58.2	71%	0.71	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	117.8	179.2	-169.6	-94.3	0	0	0	110.5	L151	Y149-L151 VanDerWaalsContact C-N 3.29Å; Y149-L151 PolarHBondContact O-N 3.44Å
150	G	87.9	Confident	90.7	Very high	72 Å²	72	60.3 Å²	60.3	74%	0.742	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	0.2	-174.6	0	0	0	0	0	115.5	L148	L148-G150 PolarHBondContact O-N 3.14Å; L148-G150 VanDerWaalsContact O-N 3.13Å
151	L	91.7	Very high	89.9	Confident	92 Å²	92	60.5 Å²	60.5	48%	0.482	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-17.8	176.7	-59.8	-175.5	0	0	0	113.5	G147 L148 Y149	G147-L151 VanDerWaalsContact O-CD1 3.31Å; G147-L151 WeakPolarHBondContact O-CD1 3.47Å; L148-L151 PolarHBondContact O-N 2.73Å; Y149-L151 VanDerWaalsContact C-N 3.29Å; Y149-L151 PolarHBondContact O-N 3.44Å
152	T	95.3	Very high	89.1	Confident	37 Å²	37	62 Å²	62	23%	0.227	36%	0.36	C	S	.	.			trans	-71.7	140.6	177.4	55.7	0	0	0	0	111.7	K143 L148 V168 V170	K143-T152 HydrophobicContact CD-CG2 4.23Å; K143-T152 HydrophobicContact CG-CG2 4.4Å; L148-T152 HydrophobicContact CB-CG2 4.23Å; L148-T152 PolarHBondContact O-N 2.92Å; T152-V168 CarbonylContact C-O 3.57Å; T152-V168 WeakPolarHBondContact CA-O 3.39Å; T152-V168 WeakPolarHBondContact CB-O 3.34Å; T152-V170 HydrophobicContact CG2-CG2 4.37Å
153	T	93.9	Very high	88.5	Confident	24 Å²	24	63.2 Å²	63.2	15%	0.147	37%	0.367	C	S	.	.			trans	-90.3	-2.1	-176.8	54.4	0	0	0	0	114.2	L163 R166 P167 V168	T153-L163 HydrophobicContact CG2-CD1 4.4Å; T153-R166 WeakPolarHBondContact CG2-O 3.46Å; T153-P167 WeakPolarHBondContact OG1-CA 3.26Å; T153-V168 PolarHBondContact N-O 2.96Å; T153-V168 PolarHBondContact OG1-N 2.89Å; T153-V168 VanDerWaalsContact OG1-N 3.13Å; T153-V168 PolarHBondContact OG1-O 3.22Å
154	G	92.8	Very high	87.6	Confident	29 Å²	29	68.4 Å²	68.4	30%	0.299	40%	0.402	S	S	.	.			trans	92.1	157.1	-179.7	0	0	0	0	0	113.7	E169 W187	G154-E169 WeakPolarHBondContact CA-OE2 3.1Å; G154-E169 PolarHBondContact N-OE2 2.86Å; G154-W187 PolarHBondContact O-NE1 2.9Å
155	K	93	Very high	87.1	Confident	80 Å²	80	68.1 Å²	68.1	35%	0.348	40%	0.4	S	S	.	.	S	Bend	trans	-87.7	-12.1	-178.4	-68.5	179.5	171.9	170.9	0	114.7	E139 E169 V170 F171	E139-K155 IonicContact OE1-NZ 2.73Å; E139-K155 PolarHBondContact OE1-NZ 3.33Å; E139-K155 IonicContact OE2-NZ 3.71Å; E139-K155 PolarHBondContact OE2-NZ 2.74Å; K155-E169 HydrophobicContact CD-CG 4.31Å; K155-E169 HydrophobicContact CG-CG 3.44Å; K155-E169 VanDerWaalsContact CG-CG 3.44Å; K155-E169 PolarHBondContact N-OE2 3.37Å; K155-V170 WeakPolarHBondContact CE-O 3.44Å; K155-V170 PolarHBondContact NZ-O 3.1Å; K155-F171 HydrophobicContact CB-CZ 4.31Å; K155-F171 HydrophobicContact CD-CD1 4.45Å; K155-F171 HydrophobicContact CD-CE1 3.79Å; K155-F171 HydrophobicContact CD-CE2 4.47Å; K155-F171 HydrophobicContact CD-CZ 3.8Å; K155-F171 HydrophobicContact CG-CE1 4.13Å; K155-F171 HydrophobicContact CG-CE2 4.19Å; K155-F171 HydrophobicContact CG-CZ 3.63Å
156	A	85.4	Confident	86.8	Confident	67 Å²	67	69.9 Å²	69.9	55%	0.554	40%	0.401	S	S	*	.	S	Bend	trans	-67.4	160.1	-177.4	0	0	0	0	0	111.5	S158	A156-S158 PolarHBondContact O-N 3.14Å
157	K	72.1	Confident	86.7	Confident	163 Å²	163	70 Å²	70	71%	0.709	40%	0.402	S	S	*	.			trans	-71.4	119	170	-58.8	-161.2	173	-178.3	0	108.7	Q190	K157-Q190 VanDerWaalsContact CA-OE1 3.23Å; K157-Q190 VanDerWaalsContact CB-OE1 3.28Å
158	S	72.4	Confident	86.7	Confident	37 Å²	37	69.2 Å²	69.2	26%	0.259	39%	0.393	S	S	.	.			trans	-140.7	142.3	178.3	-50.3	0	0	0	0	108.4	A156	A156-S158 PolarHBondContact O-N 3.14Å
159	S	75.4	Confident	86.7	Confident	59 Å²	59	69.4 Å²	69.4	41%	0.413	39%	0.394	S	S	.	.			trans	-66	142.6	171.8	179.1	0	0	0	0	109.1	S161 E162	S159-S161 PolarHBondContact O-N 3.18Å; S159-S161 VanDerWaalsContact O-N 3.1Å; S159-S161 PolarHBondContact OG-N 3.19Å; S159-S161 PolarHBondContact OG-OG 3.5Å; S159-E162 PolarHBondContact N-OE2 3.46Å; S159-E162 WeakPolarHBondContact O-CB 2.87Å; S159-E162 PolarHBondContact O-N 3.21Å
160	R	76.6	Confident	87.1	Confident	87 Å²	87	60.8 Å²	60.8	33%	0.328	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-52.9	-33.6	174.2	-174	176.9	-176.1	169	4	111.8	S121 E162 L163 F191 D193	S121-R160 PolarHBondContact O-NH2 2.88Å; R160-E162 PolarHBondContact O-N 3.03Å; R160-L163 PolarHBondContact O-N 2.79Å; R160-F191 HydrophobicContact CB-CD1 4.44Å; R160-D193 IonicContact NH1-OD2 2.98Å; R160-D193 PolarHBondContact NH1-OD2 3.3Å
161	S	78.2	Confident	87.6	Confident	104 Å²	104	58.3 Å²	58.3	73%	0.727	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-66.9	-18.1	177.1	62.8	0	0	0	0	114.5	S159	S159-S161 PolarHBondContact O-N 3.18Å; S159-S161 VanDerWaalsContact O-N 3.1Å; S159-S161 PolarHBondContact OG-N 3.19Å; S159-S161 PolarHBondContact OG-OG 3.5Å
162	E	81.8	Confident	87.9	Confident	137 Å²	137	55.5 Å²	55.5	64%	0.64	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-93.6	-10.4	179.9	-64.4	167.1	171.6	0	0	112.2	S159 R160	S159-E162 PolarHBondContact N-OE2 3.46Å; S159-E162 WeakPolarHBondContact O-CB 2.87Å; S159-E162 PolarHBondContact O-N 3.21Å; R160-E162 PolarHBondContact O-N 3.03Å
163	L	84.5	Confident	88	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.141	30%	0.303	C	S	.	.			trans	-83.4	136.4	-178.5	-64.2	-178.5	0	0	0	110.8	T153 R160 S165 P167 F191	T153-L163 HydrophobicContact CG2-CD1 4.4Å; R160-L163 PolarHBondContact O-N 2.79Å; L163-S165 PolarHBondContact O-N 3.07Å; L163-P167 HydrophobicContact CD1-CB 4.03Å; L163-P167 HydrophobicContact CD1-CG 3.8Å; L163-F191 HydrophobicContact CD1-CD1 4.23Å; L163-F191 HydrophobicContact CD1-CE1 3.53Å; L163-F191 HydrophobicContact CD1-CZ 4.01Å
164	P	80.3	Confident	88.1	Confident	124 Å²	124	52.6 Å²	52.6	81%	0.805	30%	0.296	S	S	*	.	S	Bend	trans	-72.9	-15.7	-179	30.8	-36.3	0	0	0	113.1
165	S	87	Confident	88.2	Confident	66 Å²	66	51.3 Å²	51.3	46%	0.462	28%	0.283	S	S	.	.	S	Bend	trans	-154.7	179.1	-172.3	59.7	0	0	0	0	110.4	L163	L163-S165 PolarHBondContact O-N 3.07Å
166	R	91.9	Very high	88.3	Confident	61 Å²	61	51.5 Å²	51.5	23%	0.23	29%	0.287	C	S	.	.	S	Bend	trans	-54.2	141.6	175.7	90.6	-175.1	80.6	-172.3	-0.8	110.3	L114 A120 T153 V168	L114-R166 PolarHBondContact O-NH1 3.23Å; L114-R166 PolarHBondContact O-NH2 2.99Å; A120-R166 WeakPolarHBondContact O-CB 3.37Å; A120-R166 PolarHBondContact O-NE 3.31Å; T153-R166 WeakPolarHBondContact CG2-O 3.46Å; R166-V168 HydrophobicContact CG-CG2 3.49Å; R166-V168 VanDerWaalsContact CG-CG2 3.49Å; R166-V168 PolarHBondContact O-N 3.34Å
167	P	95.5	Very high	88.7	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.013	29%	0.286	C	S	.	.			trans	-62.5	122.6	175.7	-17.4	28.9	0	0	0	110.9	P123 I124 T153 L163 W187 F191	P123-P167 CarbonylContact C-O 3.54Å; P123-P167 VanDerWaalsContact CA-O 3.32Å; P123-P167 WeakPolarHBondContact CA-O 3.34Å; P123-P167 HydrophobicContact CB-CB 3.89Å; P123-P167 HydrophobicContact CB-CG 4.01Å; I124-P167 PolarHBondContact N-O 3.42Å; T153-P167 WeakPolarHBondContact OG1-CA 3.26Å; L163-P167 HydrophobicContact CD1-CB 4.03Å; L163-P167 HydrophobicContact CD1-CG 3.8Å; P167-W187 HydrophobicContact CB-CH2 4.08Å; P167-W187 HydrophobicContact CB-CZ2 4Å; P167-F191 HydrophobicContact CB-CB 4.36Å; P167-F191 HydrophobicContact CB-CD1 3.98Å; P167-F191 HydrophobicContact CB-CD2 3.71Å; P167-F191 HydrophobicContact CB-CE1 4.2Å; P167-F191 HydrophobicContact CB-CE2 3.94Å; P167-F191 HydrophobicContact CB-CG 3.72Å; P167-F191 HydrophobicContact CB-CZ 4.17Å; P167-F191 HydrophobicContact CG-CB 3.96Å; P167-F191 HydrophobicContact CG-CD1 3.58Å; P167-F191 HydrophobicContact CG-CD2 4.14Å; P167-F191 HydrophobicContact CG-CE1 4.1Å; P167-F191 HydrophobicContact CG-CG 3.6Å
168	V	97.2	Very high	89.6	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.6	174.6	-174.5	0	0	0	0	109.1	L114 I124 L148 T152 T153 R166	L114-V168 HydrophobicContact CD2-CG2 4.25Å; I124-V168 HydrophobicContact CB-CG1 4.45Å; I124-V168 HydrophobicContact CB-CG2 4.31Å; I124-V168 WeakPolarHBondContact O-CA 3.43Å; L148-V168 HydrophobicContact CD2-CG1 4.22Å; T152-V168 CarbonylContact C-O 3.57Å; T152-V168 WeakPolarHBondContact CA-O 3.39Å; T152-V168 WeakPolarHBondContact CB-O 3.34Å; T153-V168 PolarHBondContact N-O 2.96Å; T153-V168 PolarHBondContact OG1-N 2.89Å; T153-V168 VanDerWaalsContact OG1-N 3.13Å; T153-V168 PolarHBondContact OG1-O 3.22Å; R166-V168 HydrophobicContact CG-CG2 3.49Å; R166-V168 VanDerWaalsContact CG-CG2 3.49Å; R166-V168 PolarHBondContact O-N 3.34Å
169	E	97.2	Very high	90.6	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.023	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	154.5	175.3	-168.9	51.8	-90.1	0	0	112.7	I124 V126 K143 G154 K155 F171 W187	I124-E169 PolarHBondContact O-N 3.28Å; V126-E169 PolarHBondContact N-O 3.05Å; K143-E169 WeakPolarHBondContact CE-OE1 3.21Å; K143-E169 IonicContact NZ-OE1 2.74Å; G154-E169 WeakPolarHBondContact CA-OE2 3.1Å; G154-E169 PolarHBondContact N-OE2 2.86Å; K155-E169 HydrophobicContact CD-CG 4.31Å; K155-E169 HydrophobicContact CG-CG 3.44Å; K155-E169 VanDerWaalsContact CG-CG 3.44Å; K155-E169 PolarHBondContact N-OE2 3.37Å; E169-F171 HydrophobicContact CB-CE2 4.04Å; E169-F171 HydrophobicContact CG-CD2 4.22Å; E169-F171 HydrophobicContact CG-CE2 3.6Å; E169-F171 HydrophobicContact CG-CZ 4.25Å; E169-W187 HydrophobicContact CB-CD2 3.89Å; E169-W187 HydrophobicContact CB-CE3 4.25Å; E169-W187 HydrophobicContact CB-CH2 3.78Å; E169-W187 HydrophobicContact CB-CZ2 3.33Å; E169-W187 HydrophobicContact CB-CZ3 4.2Å
170	V	98.5	Very high	91.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.6	-178.8	-173.5	0	0	0	0	110.5	V126 E139 L142 K143 L148 T152 K155	V126-V170 HydrophobicContact CB-CB 4.49Å; V126-V170 HydrophobicContact CB-CG2 4.04Å; V126-V170 HydrophobicContact CG1-CG1 4.34Å; V126-V170 HydrophobicContact CG1-CG2 4.3Å; V126-V170 CarbonylContact O-C 3.6Å; V126-V170 WeakPolarHBondContact O-CA 3.08Å; E139-V170 HydrophobicContact CG-CB 4.3Å; E139-V170 HydrophobicContact CG-CG1 4.1Å; L142-V170 HydrophobicContact CD2-CG1 3.82Å; L142-V170 HydrophobicContact CG-CG1 4.47Å; K143-V170 HydrophobicContact CD-CG2 4.5Å; K143-V170 HydrophobicContact CG-CB 4.14Å; K143-V170 HydrophobicContact CG-CG2 3.62Å; L148-V170 HydrophobicContact CD1-CG2 3.52Å; T152-V170 HydrophobicContact CG2-CG2 4.37Å; K155-V170 WeakPolarHBondContact CE-O 3.44Å; K155-V170 PolarHBondContact NZ-O 3.1Å
171	F	98.1	Very high	92.2	Very high	19 Å²	19	48.6 Å²	48.6	8%	0.083	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.4	170	-69.4	-103.3	0	0	0	110.2	L125 V126 L127 G128 K155 E169 E183 W187	L125-F171 HydrophobicContact CD1-CD2 3.46Å; L125-F171 VanDerWaalsContact CD1-CD2 3.46Å; L125-F171 HydrophobicContact CD1-CE2 4.02Å; L125-F171 HydrophobicContact CD1-CG 4.34Å; V126-F171 PolarHBondContact O-N 2.91Å; L127-F171 CarbonylContact C-O 3.57Å; L127-F171 WeakPolarHBondContact CA-O 3.44Å; L127-F171 HydrophobicContact CD2-CB 3.92Å; G128-F171 PolarHBondContact N-O 3.29Å; K155-F171 HydrophobicContact CB-CZ 4.31Å; K155-F171 HydrophobicContact CD-CD1 4.45Å; K155-F171 HydrophobicContact CD-CE1 3.79Å; K155-F171 HydrophobicContact CD-CE2 4.47Å; K155-F171 HydrophobicContact CD-CZ 3.8Å; K155-F171 HydrophobicContact CG-CE1 4.13Å; K155-F171 HydrophobicContact CG-CE2 4.19Å; K155-F171 HydrophobicContact CG-CZ 3.63Å; E169-F171 HydrophobicContact CB-CE2 4.04Å; E169-F171 HydrophobicContact CG-CD2 4.22Å; E169-F171 HydrophobicContact CG-CE2 3.6Å; E169-F171 HydrophobicContact CG-CZ 4.25Å; F171-E183 HydrophobicContact CD1-CB 3.9Å; F171-E183 HydrophobicContact CE1-CB 3.89Å; F171-W187 HydrophobicContact CE2-CB 3.68Å; F171-W187 AromaticContact CE2-CD2 3.96Å; F171-W187 HydrophobicContact CE2-CD2 3.96Å; F171-W187 HydrophobicContact CE2-CE3 4.23Å; F171-W187 AromaticContact CE2-CG 3.71Å; F171-W187 HydrophobicContact CE2-CG 3.71Å; F171-W187 HydrophobicContact CZ-CB 3.46Å; F171-W187 VanDerWaalsContact CZ-CB 3.46Å; F171-W187 AromaticContact CZ-CG 3.79Å; F171-W187 HydrophobicContact CZ-CG 3.79Å
172	M	98.2	Very high	92.7	Very high	33 Å²	33	44.5 Å²	44.5	16%	0.163	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.6	174.8	-57.5	-58.5	-72.4	0	0	109.6	V97 G128 I131 E139 L142 G180	V97-M172 HydrophobicContact CB-CE 4.18Å; V97-M172 HydrophobicContact CG1-CE 3.79Å; V97-M172 HydrophobicContact CG2-CE 4.12Å; G128-M172 CarbonylContact O-C 3.57Å; G128-M172 WeakPolarHBondContact O-CA 3.4Å; I131-M172 HydrophobicContact CG2-CB 4.07Å; I131-M172 HydrophobicContact CG2-CE 3.92Å; E139-M172 HydrophobicContact CB-CG 3.68Å; E139-M172 HydrophobicContact CB-SD 4.15Å; E139-M172 HydrophobicContact CG-CG 4.07Å; E139-M172 HydrophobicContact CG-SD 4.4Å; L142-M172 HydrophobicContact CB-SD 4.47Å; L142-M172 HydrophobicContact CD2-CE 4.29Å; L142-M172 HydrophobicContact CD2-SD 3.59Å; L142-M172 VanDerWaalsContact CD2-SD 3.59Å; M172-G180 WeakPolarHBondContact O-CA 3.25Å
173	C	97.9	Very high	93.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.9	-172.3	77.5	0	0	0	0	113.4	G128 N129 K130 I131 Q179 Y181	G128-C173 PolarHBondContact O-N 3.42Å; N129-C173 CarbonylContact C-O 3.58Å; N129-C173 VanDerWaalsContact CA-O 3.3Å; N129-C173 WeakPolarHBondContact CA-O 3.34Å; K130-C173 PolarHBondContact N-O 2.69Å; I131-C173 WeakPolarHBondContact CG1-O 3.46Å; I131-C173 PolarHBondContact N-O 3.49Å; C173-Q179 CarbonylContact C-O 3.56Å; C173-Q179 VanDerWaalsContact CA-O 3.25Å; C173-Q179 WeakPolarHBondContact CA-O 3.5Å; C173-Q179 WeakPolarHBondContact CB-O 3.49Å; C173-Y181 HydrophobicContact CB-CD1 4.46Å
174	S	96.8	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-128.7	109.4	161.7	173.3	0	0	0	0	107.5	D132 L176 K177 R178 Q179	D132-S174 VanDerWaalsContact OD1-CB 3.29Å; D132-S174 WeakPolarHBondContact OD1-CB 3.39Å; D132-S174 PolarHBondContact OD1-OG 3.3Å; S174-L176 PolarHBondContact O-N 3.01Å; S174-L176 PolarHBondContact OG-N 2.68Å; S174-K177 PolarHBondContact O-N 3.15Å; S174-K177 WeakPolarHBondContact OG-CB 3.35Å; S174-K177 WeakPolarHBondContact OG-CG 3.42Å; S174-K177 PolarHBondContact OG-N 2.96Å; S174-R178 PolarHBondContact O-N 3.08Å; S174-Q179 PolarHBondContact N-O 3.47Å; S174-Q179 PolarHBondContact O-N 3.12Å
175	V	95	Very high	93.9	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-39	171.1	-179.3	0	0	0	0	109.8	T35 L36 M39 N129 K177 R178 Y181	T35-V175 HydrophobicContact CG2-CG1 3.8Å; L36-V175 HydrophobicContact CB-CG1 4.4Å; L36-V175 HydrophobicContact CB-CG2 4.06Å; L36-V175 HydrophobicContact CD1-CG2 4.02Å; M39-V175 HydrophobicContact CB-CG1 4.08Å; M39-V175 HydrophobicContact CG-CG1 4.32Å; N129-V175 WeakPolarHBondContact OD1-CG2 3.25Å; N129-V175 PolarHBondContact OD1-N 3.13Å; N129-V175 VanDerWaalsContact OD1-N 3.11Å; V175-K177 VanDerWaalsContact C-N 3.35Å; V175-K177 PolarHBondContact O-N 2.66Å; V175-R178 PolarHBondContact O-N 3.25Å; V175-Y181 HydrophobicContact CG2-CD1 4.25Å
176	L	93.7	Very high	93.8	Very high	85 Å²	85	36.3 Å²	36.3	45%	0.445	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-41.6	177.2	172.6	63.9	0	0	0	112.7	M45 D132 S174	M45-L176 HydrophobicContact CE-CB 4.23Å; M45-L176 HydrophobicContact CE-CD1 3.16Å; M45-L176 HydrophobicContact CE-CG 4.24Å; M45-L176 HydrophobicContact SD-CD1 3.75Å; M45-L176 VanDerWaalsContact SD-O 3.38Å; D132-L176 WeakPolarHBondContact OD2-CD2 3.42Å; S174-L176 PolarHBondContact O-N 3.01Å; S174-L176 PolarHBondContact OG-N 2.68Å
177	K	93.6	Very high	93.7	Very high	121 Å²	121	33.6 Å²	33.6	53%	0.526	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1.5	-179.7	-58.7	-63.4	-175.3	178.6	0	113.8	D132 S174 V175 Q179	D132-K177 HydrophobicContact CB-CG 3.76Å; S174-K177 PolarHBondContact O-N 3.15Å; S174-K177 WeakPolarHBondContact OG-CB 3.35Å; S174-K177 WeakPolarHBondContact OG-CG 3.42Å; S174-K177 PolarHBondContact OG-N 2.96Å; V175-K177 VanDerWaalsContact C-N 3.35Å; V175-K177 PolarHBondContact O-N 2.66Å; K177-Q179 HydrophobicContact CB-CG 4.21Å; K177-Q179 WeakPolarHBondContact O-CG 3.47Å
178	R	92.2	Very high	93.3	Very high	84 Å²	84	33.6 Å²	33.6	32%	0.317	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	42.1	-179	-60	166.7	173.2	-97.7	5.2	113	M39 D43 S174 V175 Y181	M39-R178 HydrophobicContact CE-CG 3.96Å; M39-R178 HydrophobicContact SD-CG 4.1Å; M39-R178 PolarHBondContact SD-NH1 3.1Å; D43-R178 PolarHBondContact O-NH2 3.49Å; D43-R178 IonicContact OD1-CZ 2.97Å; D43-R178 IonicContact OD1-NH1 3.61Å; D43-R178 PolarHBondContact OD1-NH1 3.14Å; D43-R178 IonicContact OD1-NH2 2.64Å; S174-R178 PolarHBondContact O-N 3.08Å; V175-R178 PolarHBondContact O-N 3.25Å; R178-Y181 WeakPolarHBondContact CA-OH 3.34Å
179	Q	93.5	Very high	92.6	Very high	110 Å²	110	33.5 Å²	33.5	51%	0.514	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-127.5	141.7	-171.7	-72	169.1	10.2	0	0	111.7	C173 S174 K177 Y181	C173-Q179 CarbonylContact C-O 3.56Å; C173-Q179 VanDerWaalsContact CA-O 3.25Å; C173-Q179 WeakPolarHBondContact CA-O 3.5Å; C173-Q179 WeakPolarHBondContact CB-O 3.49Å; S174-Q179 PolarHBondContact N-O 3.47Å; S174-Q179 PolarHBondContact O-N 3.12Å; K177-Q179 HydrophobicContact CB-CG 4.21Å; K177-Q179 WeakPolarHBondContact O-CG 3.47Å; Q179-Y181 VanDerWaalsContact C-N 3.28Å; Q179-Y181 PolarHBondContact O-N 2.99Å; Q179-Y181 VanDerWaalsContact O-N 3.1Å
180	G	93.2	Very high	91.9	Very high	17 Å²	17	35.7 Å²	35.7	18%	0.175	17%	0.169	C	C	.	.	S	Bend	trans	82.9	-33.1	165.7	0	0	0	0	0	116.5	M172 E183 G184	M172-G180 WeakPolarHBondContact O-CA 3.25Å; G180-E183 WeakPolarHBondContact CA-OE2 3.23Å; G180-E183 PolarHBondContact N-OE2 3.42Å; G180-E183 VanDerWaalsContact O-OE2 3.12Å; G180-G184 PolarHBondContact O-N 3.5Å
181	Y	92.5	Very high	91.3	Very high	20 Å²	20	35.9 Å²	35.9	8%	0.078	17%	0.17	C	C	.	.	H	α-helix	trans	-72.6	-29	-179.3	58.4	-96.4	0	0	0	112.3	L36 M39 L40 C173 V175 R178 Q179 E183 G184 F185	L36-Y181 HydrophobicContact CD1-CD1 4.46Å; L36-Y181 HydrophobicContact CD1-CD2 3.95Å; L36-Y181 HydrophobicContact CD1-CE2 4.41Å; L36-Y181 HydrophobicContact CD1-CG 3.99Å; M39-Y181 WeakPolarHBondContact CG-OH 3.38Å; L40-Y181 HydrophobicContact CD2-CD2 4.49Å; L40-Y181 HydrophobicContact CD2-CE2 4.33Å; C173-Y181 HydrophobicContact CB-CD1 4.46Å; V175-Y181 HydrophobicContact CG2-CD1 4.25Å; R178-Y181 WeakPolarHBondContact CA-OH 3.34Å; Q179-Y181 VanDerWaalsContact C-N 3.28Å; Q179-Y181 PolarHBondContact O-N 2.99Å; Q179-Y181 VanDerWaalsContact O-N 3.1Å; Y181-E183 VanDerWaalsContact C-N 3.33Å; Y181-E183 PolarHBondContact O-N 2.91Å; Y181-G184 PolarHBondContact O-N 3.05Å; Y181-G184 VanDerWaalsContact O-N 3.15Å; Y181-F185 VanDerWaalsContact O-CD2 3.3Å; Y181-F185 WeakPolarHBondContact O-CD2 3.4Å; Y181-F185 PolarHBondContact O-N 3.38Å
182	G	88.9	Confident	90.5	Very high	17 Å²	17	35.6 Å²	35.6	18%	0.175	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-38.9	177.3	0	0	0	0	0	112.6	R186	G182-R186 WeakPolarHBondContact O-CB 3.39Å; G182-R186 PolarHBondContact O-N 3.46Å
183	E	89.8	Confident	89.1	Confident	92 Å²	92	40.3 Å²	40.3	43%	0.43	20%	0.195	S	C	.	.	H	α-helix	trans	-63.5	-43	171.5	-64.9	86.8	170.9	0	0	111.8	F171 G180 Y181 R186 W187	F171-E183 HydrophobicContact CD1-CB 3.9Å; F171-E183 HydrophobicContact CE1-CB 3.89Å; G180-E183 WeakPolarHBondContact CA-OE2 3.23Å; G180-E183 PolarHBondContact N-OE2 3.42Å; G180-E183 VanDerWaalsContact O-OE2 3.12Å; Y181-E183 VanDerWaalsContact C-N 3.33Å; Y181-E183 PolarHBondContact O-N 2.91Å; E183-R186 WeakPolarHBondContact O-CB 3.45Å; E183-R186 PolarHBondContact O-N 3.37Å; E183-W187 PolarHBondContact O-N 3.48Å
184	G	92.6	Very high	88.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-46.5	177	0	0	0	0	0	112.9	L125 G180 Y181 R186 W187 L188	L125-G184 VanDerWaalsContact CD2-C 3.42Å; L125-G184 WeakPolarHBondContact CD2-O 3.34Å; G180-G184 PolarHBondContact O-N 3.5Å; Y181-G184 PolarHBondContact O-N 3.05Å; Y181-G184 VanDerWaalsContact O-N 3.15Å; G184-R186 VanDerWaalsContact C-N 3.3Å; G184-R186 PolarHBondContact O-N 2.95Å; G184-W187 WeakPolarHBondContact O-CB 3.22Å; G184-W187 PolarHBondContact O-N 3.23Å; G184-L188 PolarHBondContact O-N 3.09Å
185	F	88.6	Confident	88.2	Confident	9 Å²	9	44.5 Å²	44.5	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-32.2	176.5	-86.9	-81.9	0	0	0	113.2	F7 L23 F25 L36 L40 L61 V92 L125 L127 Y181 W187 L188 A189	F7-F185 HydrophobicContact CE2-CB 3.62Å; F7-F185 HydrophobicContact CZ-CB 3.49Å; F7-F185 VanDerWaalsContact CZ-CB 3.49Å; F7-F185 HydrophobicContact CZ-CG 4.26Å; L23-F185 HydrophobicContact CD2-CE1 3.9Å; F25-F185 AromaticContact CE1-CZ 3.98Å; F25-F185 HydrophobicContact CE1-CZ 3.98Å; F25-F185 AromaticContact CZ-CZ 3.83Å; F25-F185 HydrophobicContact CZ-CZ 3.83Å; L36-F185 HydrophobicContact CD1-CE2 4.31Å; L36-F185 HydrophobicContact CD2-CE2 4.05Å; L36-F185 HydrophobicContact CD2-CZ 4.34Å; L40-F185 HydrophobicContact CD1-CE1 4.21Å; L40-F185 HydrophobicContact CD1-CE2 3.73Å; L40-F185 HydrophobicContact CD1-CZ 3.51Å; L61-F185 HydrophobicContact CD1-CD1 4Å; L61-F185 HydrophobicContact CD1-CE1 4.03Å; V92-F185 HydrophobicContact CG2-CE1 4.1Å; V92-F185 HydrophobicContact CG2-CZ 3.97Å; L125-F185 HydrophobicContact CD2-CD2 4.4Å; L125-F185 HydrophobicContact CD2-CG 4.45Å; L127-F185 HydrophobicContact CD1-CE2 4.39Å; Y181-F185 VanDerWaalsContact O-CD2 3.3Å; Y181-F185 WeakPolarHBondContact O-CD2 3.4Å; Y181-F185 PolarHBondContact O-N 3.38Å; F185-W187 VanDerWaalsContact C-N 3.34Å; F185-L188 HydrophobicContact CD1-CD2 4.44Å; F185-L188 PolarHBondContact O-N 2.86Å; F185-A189 WeakPolarHBondContact O-CB 3.26Å; F185-A189 PolarHBondContact O-N 2.72Å
186	R	84.2	Confident	87.8	Confident	81 Å²	81	46.9 Å²	46.9	31%	0.306	23%	0.227	S	C	.	.	H	α-helix	trans	-66.5	-40.1	173.7	-164.3	-164.4	-51.7	-171.2	45.1	111.6	W6 V10 G182 E183 G184	W6-R186 VanDerWaalsContact CZ2-NH1 3.3Å; V10-R186 HydrophobicContact CG1-CG 3.56Å; G182-R186 WeakPolarHBondContact O-CB 3.39Å; G182-R186 PolarHBondContact O-N 3.46Å; E183-R186 WeakPolarHBondContact O-CB 3.45Å; E183-R186 PolarHBondContact O-N 3.37Å; G184-R186 VanDerWaalsContact C-N 3.3Å; G184-R186 PolarHBondContact O-N 2.95Å
187	W	89.9	Confident	87.5	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-50.7	172	170.1	87.5	0	0	0	110.4	I124 L125 G154 P167 E169 F171 E183 G184 F185 A189 Q190 F191	I124-W187 WeakPolarHBondContact O-CH2 3.45Å; L125-W187 HydrophobicContact CB-CE3 4.28Å; L125-W187 HydrophobicContact CB-CZ3 3.92Å; L125-W187 HydrophobicContact CD1-CE3 3.98Å; L125-W187 HydrophobicContact CD1-CZ3 4.27Å; G154-W187 PolarHBondContact O-NE1 2.9Å; P167-W187 HydrophobicContact CB-CH2 4.08Å; P167-W187 HydrophobicContact CB-CZ2 4Å; E169-W187 HydrophobicContact CB-CD2 3.89Å; E169-W187 HydrophobicContact CB-CE3 4.25Å; E169-W187 HydrophobicContact CB-CH2 3.78Å; E169-W187 HydrophobicContact CB-CZ2 3.33Å; E169-W187 HydrophobicContact CB-CZ3 4.2Å; F171-W187 HydrophobicContact CE2-CB 3.68Å; F171-W187 AromaticContact CE2-CD2 3.96Å; F171-W187 HydrophobicContact CE2-CD2 3.96Å; F171-W187 HydrophobicContact CE2-CE3 4.23Å; F171-W187 AromaticContact CE2-CG 3.71Å; F171-W187 HydrophobicContact CE2-CG 3.71Å; F171-W187 HydrophobicContact CZ-CB 3.46Å; F171-W187 VanDerWaalsContact CZ-CB 3.46Å; F171-W187 AromaticContact CZ-CG 3.79Å; F171-W187 HydrophobicContact CZ-CG 3.79Å; E183-W187 PolarHBondContact O-N 3.48Å; G184-W187 WeakPolarHBondContact O-CB 3.22Å; G184-W187 PolarHBondContact O-N 3.23Å; F185-W187 VanDerWaalsContact C-N 3.34Å; W187-A189 VanDerWaalsContact C-N 3.33Å; W187-A189 PolarHBondContact O-N 3.38Å; W187-Q190 WeakPolarHBondContact O-CB 3.34Å; W187-Q190 PolarHBondContact O-N 3.17Å; W187-Q190 PolarHBondContact O-NE2 2.9Å; W187-F191 AromaticContact CD2-CE2 3.98Å; W187-F191 HydrophobicContact CD2-CE2 3.98Å; W187-F191 AromaticContact CE2-CE2 3.5Å; W187-F191 VanDerWaalsContact CE2-CE2 3.5Å; W187-F191 HydrophobicContact CG-CE2 4.33Å; W187-F191 HydrophobicContact CH2-CD2 4.47Å; W187-F191 HydrophobicContact CH2-CE2 4.37Å; W187-F191 HydrophobicContact CZ2-CD2 4.25Å; W187-F191 AromaticContact CZ2-CE2 3.72Å; W187-F191 HydrophobicContact CZ2-CE2 3.72Å; W187-F191 AromaticContact NE1-CE2 3.63Å; W187-F191 WeakPolarHBondContact O-CD2 3.1Å; W187-F191 WeakPolarHBondContact O-CE2 3.41Å
188	L	88.9	Confident	87.1	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-42.4	-176.9	-176.8	61.3	0	0	0	112.6	L23 A90 V92 P123 L125 G184 F185 Q190 F191 I192	L23-L188 HydrophobicContact CD1-CD2 4.16Å; A90-L188 HydrophobicContact CB-CD1 3.84Å; A90-L188 HydrophobicContact CB-CD2 3.88Å; A90-L188 HydrophobicContact CB-CG 4.08Å; V92-L188 HydrophobicContact CG2-CD2 3.95Å; P123-L188 HydrophobicContact CB-CD1 3.79Å; P123-L188 HydrophobicContact CG-CD1 3.96Å; L125-L188 HydrophobicContact CB-CB 4.34Å; L125-L188 HydrophobicContact CB-CD1 4.18Å; L125-L188 HydrophobicContact CB-CD2 4.09Å; L125-L188 HydrophobicContact CB-CG 4.42Å; L125-L188 HydrophobicContact CD2-CB 4.25Å; L125-L188 HydrophobicContact CD2-CD2 4.2Å; G184-L188 PolarHBondContact O-N 3.09Å; F185-L188 HydrophobicContact CD1-CD2 4.44Å; F185-L188 PolarHBondContact O-N 2.86Å; L188-Q190 PolarHBondContact O-N 2.63Å; L188-F191 PolarHBondContact O-N 3.08Å; L188-I192 HydrophobicContact CG-CD1 4.17Å
189	A	82.4	Confident	86.7	Confident	3 Å²	3	36.9 Å²	36.9	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-58.5	-22.8	-177.9	0	0	0	0	0	114.7	L11 L14 L16 M64 F185 W187 F191	L11-A189 HydrophobicContact CD2-CB 3.09Å; L14-A189 HydrophobicContact CD1-CB 4.06Å; L16-A189 HydrophobicContact CD1-CB 3.88Å; L16-A189 WeakPolarHBondContact CD1-O 3.3Å; M64-A189 HydrophobicContact CE-CB 4.18Å; F185-A189 WeakPolarHBondContact O-CB 3.26Å; F185-A189 PolarHBondContact O-N 2.72Å; W187-A189 VanDerWaalsContact C-N 3.33Å; W187-A189 PolarHBondContact O-N 3.38Å; A189-F191 PolarHBondContact O-N 3.11Å
190	Q	82.5	Confident	86.3	Confident	51 Å²	51	31.7 Å²	31.7	24%	0.238	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.4	177.3	-62.8	177	84.6	0	0	113.2	L14 K157 W187 L188	L14-Q190 HydrophobicContact CD1-CG 4.14Å; K157-Q190 VanDerWaalsContact CA-OE1 3.23Å; K157-Q190 VanDerWaalsContact CB-OE1 3.28Å; W187-Q190 WeakPolarHBondContact O-CB 3.34Å; W187-Q190 PolarHBondContact O-N 3.17Å; W187-Q190 PolarHBondContact O-NE2 2.9Å; L188-Q190 PolarHBondContact O-N 2.63Å
191	F	86	Confident	85.7	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.018	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	4.7	-174.7	-51.4	-65.7	0	0	0	113.1	P123 R160 L163 P167 W187 L188 A189	P123-F191 HydrophobicContact CB-CB 3.83Å; P123-F191 HydrophobicContact CB-CG 4.49Å; P123-F191 HydrophobicContact CG-CB 3.99Å; R160-F191 HydrophobicContact CB-CD1 4.44Å; L163-F191 HydrophobicContact CD1-CD1 4.23Å; L163-F191 HydrophobicContact CD1-CE1 3.53Å; L163-F191 HydrophobicContact CD1-CZ 4.01Å; P167-F191 HydrophobicContact CB-CB 4.36Å; P167-F191 HydrophobicContact CB-CD1 3.98Å; P167-F191 HydrophobicContact CB-CD2 3.71Å; P167-F191 HydrophobicContact CB-CE1 4.2Å; P167-F191 HydrophobicContact CB-CE2 3.94Å; P167-F191 HydrophobicContact CB-CG 3.72Å; P167-F191 HydrophobicContact CB-CZ 4.17Å; P167-F191 HydrophobicContact CG-CB 3.96Å; P167-F191 HydrophobicContact CG-CD1 3.58Å; P167-F191 HydrophobicContact CG-CD2 4.14Å; P167-F191 HydrophobicContact CG-CE1 4.1Å; P167-F191 HydrophobicContact CG-CG 3.6Å; W187-F191 AromaticContact CD2-CE2 3.98Å; W187-F191 HydrophobicContact CD2-CE2 3.98Å; W187-F191 AromaticContact CE2-CE2 3.5Å; W187-F191 VanDerWaalsContact CE2-CE2 3.5Å; W187-F191 HydrophobicContact CG-CE2 4.33Å; W187-F191 HydrophobicContact CH2-CD2 4.47Å; W187-F191 HydrophobicContact CH2-CE2 4.37Å; W187-F191 HydrophobicContact CZ2-CD2 4.25Å; W187-F191 AromaticContact CZ2-CE2 3.72Å; W187-F191 HydrophobicContact CZ2-CE2 3.72Å; W187-F191 AromaticContact NE1-CE2 3.63Å; W187-F191 WeakPolarHBondContact O-CD2 3.1Å; W187-F191 WeakPolarHBondContact O-CE2 3.41Å; L188-F191 PolarHBondContact O-N 3.08Å; A189-F191 PolarHBondContact O-N 3.11Å
192	I	80.2	Confident	85.2	Confident	12 Å²	12	33.9 Å²	33.9	6%	0.062	17%	0.169	C	C	.	.			trans	-93.8	120	175.9	-59.8	178.1	0	0	0	107.5	L16 M64 F66 A90 L188	L16-I192 VanDerWaalsContact CD2-O 3.29Å; L16-I192 WeakPolarHBondContact CD2-O 3.43Å; M64-I192 HydrophobicContact SD-CG2 4.22Å; F66-I192 HydrophobicContact CE1-CD1 3.59Å; F66-I192 HydrophobicContact CE1-CG2 3.89Å; F66-I192 HydrophobicContact CZ-CD1 3.45Å; F66-I192 VanDerWaalsContact CZ-CD1 3.45Å; F66-I192 HydrophobicContact CZ-CG2 4.08Å; A90-I192 HydrophobicContact CB-CD1 4.02Å; A90-I192 HydrophobicContact CB-CG1 4.16Å; L188-I192 HydrophobicContact CG-CD1 4.17Å
193	D	68.1	Low	84.8	Confident	132 Å²	132	35.5 Å²	35.5	71%	0.706	17%	0.168	S	C	*	.			trans	-83.9	0	-176.9	-69.1	-47.9	0	0	0	113.8	K19 R160	K19-D193 WeakPolarHBondContact CD-O 3.46Å; K19-D193 VanDerWaalsContact CD-OXT 3.29Å; K19-D193 WeakPolarHBondContact CD-OXT 3.41Å; K19-D193 WeakPolarHBondContact CE-OXT 3.13Å; K19-D193 VanDerWaalsContact NZ-C 3.31Å; K19-D193 PolarHBondContact NZ-OXT 2.79Å; R160-D193 IonicContact NH1-OD2 2.98Å; R160-D193 PolarHBondContact NH1-OD2 3.3Å

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