A0A3B3V0U4_9TELE Loading...

Calcineurin-like EF-hand protein 1

AlphaFold DB , UniProt , Accession A0A3B3V0U4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 195 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	38	Very low	53.9	Low	255 Å²	255	137 Å²	137	100%	1.256	75%	0.752	S	S	*	*				0	129.1	0	-72.4	-171.9	175	0	0	107.7
2	G	33	Very low	56.8	Low	72 Å²	72	138 Å²	138	74%	0.742	75%	0.747	S	S	*	*			trans	141.9	66.8	-176.3	0	0	0	0	0	111.3	R4	G2-R4 PolarHBondContact O-N 3.16Å; G2-R4 VanDerWaalsContact O-N 3.16Å
3	S	34.1	Very low	59.1	Low	117 Å²	117	132.2 Å²	132.2	82%	0.818	71%	0.712	S	S	*	*			trans	-61	111	174.8	-64.5	0	0	0	0	110	A5	S3-A5 PolarHBondContact O-N 2.93Å
4	R	38.4	Very low	61.2	Low	257 Å²	257	123.3 Å²	123.3	97%	0.97	66%	0.664	S	S	*	*			trans	-73.8	61.5	166.2	-80.9	-176.3	166.1	178.8	-2.5	110.6	G2	G2-R4 PolarHBondContact O-N 3.16Å; G2-R4 VanDerWaalsContact O-N 3.16Å
5	A	39.4	Very low	63.1	Low	84 Å²	84	121.1 Å²	121.1	69%	0.694	65%	0.648	S	S	*	*			trans	-124.5	102.4	174.7	0	0	0	0	0	107.8	S3	S3-A5 PolarHBondContact O-N 2.93Å
6	S	43	Very low	64.8	Low	120 Å²	120	120 Å²	120	84%	0.839	64%	0.638	S	S	*	*	S	Bend	trans	144.1	31.4	143.5	-152	0	0	0	0	116.7
7	T	52.4	Low	66.4	Low	118 Å²	118	113.3 Å²	113.3	72%	0.724	60%	0.602	S	S	*	*			trans	-109.1	30.4	175.3	45.7	0	0	0	0	114.1
8	L	67.2	Low	67.7	Low	152 Å²	152	111.3 Å²	111.3	80%	0.796	59%	0.587	S	S	*	*	S	Bend	trans	-116.9	129.2	178.6	-71.1	166.5	0	0	0	109.1	R10	L8-R10 PolarHBondContact O-N 3.3Å
9	L	76.4	Confident	68.8	Low	25 Å²	25	115.6 Å²	115.6	13%	0.131	60%	0.6	C	S	.	*			trans	-49.9	135	165.8	-88.7	155.2	0	0	0	109.7	E13 I14 I17 I28 Y32 F80	L9-E13 HydrophobicContact CD2-CB 4.01Å; L9-I14 HydrophobicContact CB-CD1 3.91Å; L9-I14 HydrophobicContact CB-CG1 3.77Å; L9-I14 HydrophobicContact CD1-CG1 4.33Å; L9-I17 HydrophobicContact CD2-CD1 4.46Å; L9-I28 HydrophobicContact CD1-CG2 4.16Å; L9-Y32 HydrophobicContact CD1-CD1 3.69Å; L9-Y32 HydrophobicContact CD1-CD2 3.38Å; L9-Y32 HydrophobicContact CD1-CE1 4.27Å; L9-Y32 HydrophobicContact CD1-CE2 4.01Å; L9-Y32 HydrophobicContact CD1-CG 3.19Å; L9-Y32 HydrophobicContact CD2-CD2 4.32Å; L9-Y32 HydrophobicContact CD2-CE2 4.29Å; L9-Y32 HydrophobicContact CG-CD1 4.01Å; L9-Y32 HydrophobicContact CG-CD2 3.71Å; L9-Y32 HydrophobicContact CG-CE1 4.08Å; L9-Y32 HydrophobicContact CG-CE2 3.78Å; L9-Y32 HydrophobicContact CG-CG 3.82Å; L9-F80 HydrophobicContact CD1-CD1 4.18Å; L9-F80 HydrophobicContact CD1-CE1 3.52Å; L9-F80 HydrophobicContact CD1-CZ 4.02Å; L9-F80 HydrophobicContact CD2-CD1 3.85Å; L9-F80 HydrophobicContact CD2-CE1 3.87Å; L9-F80 HydrophobicContact CG-CE1 4.29Å
10	R	85.6	Confident	69.7	Low	149 Å²	149	113.4 Å²	113.4	56%	0.562	59%	0.587	S	S	*	*			trans	-70.2	146.4	174.9	-64.8	179.9	-72.5	164.3	-3.2	109.4	L8 E12 E13 I14	L8-R10 PolarHBondContact O-N 3.3Å; R10-E12 PolarHBondContact O-N 2.65Å; R10-E13 HydrophobicContact CB-CG 4.17Å; R10-E13 IonicContact CZ-OE1 3.79Å; R10-E13 VanDerWaalsContact CZ-OE1 3.29Å; R10-E13 PolarHBondContact N-OE2 3.31Å; R10-E13 IonicContact NE-OE1 2.73Å; R10-E13 PolarHBondContact NE-OE1 3.21Å; R10-E13 IonicContact NE-OE2 3.61Å; R10-E13 IonicContact NH2-OE1 3.87Å; R10-E13 PolarHBondContact NH2-OE1 3.1Å; R10-E13 WeakPolarHBondContact O-CB 3.46Å; R10-E13 PolarHBondContact O-N 3.29Å; R10-I14 WeakPolarHBondContact O-CG1 3.47Å; R10-I14 PolarHBondContact O-N 3.16Å; R10-I14 VanDerWaalsContact O-N 3.08Å
11	E	85.5	Confident	70.6	Confident	158 Å²	158	108.1 Å²	108.1	74%	0.738	56%	0.56	S	S	*	*	H	α-helix	trans	-56	-36.2	177.6	-72.3	-173.9	167.2	0	0	112.1	E13 I14 E15	E11-E13 PolarHBondContact O-N 3.14Å; E11-I14 PolarHBondContact O-N 2.91Å; E11-E15 PolarHBondContact O-N 3.36Å
12	E	88.1	Confident	73	Confident	149 Å²	149	97.6 Å²	97.6	70%	0.696	52%	0.517	S	S	*	.	H	α-helix	trans	-59.5	-43.2	175.1	-63.2	178	170	0	0	112.5	R10 E15 E16	R10-E12 PolarHBondContact O-N 2.65Å; E12-E15 PolarHBondContact O-N 3.1Å; E12-E16 PolarHBondContact O-N 3.27Å
13	E	87.4	Confident	75.7	Confident	62 Å²	62	94.3 Å²	94.3	29%	0.29	48%	0.482	S	S	.	.	H	α-helix	trans	-68.3	-37.6	178.4	-66.2	168.5	163.8	0	0	111	L9 R10 E11 E16 I17	L9-E13 HydrophobicContact CD2-CB 4.01Å; R10-E13 HydrophobicContact CB-CG 4.17Å; R10-E13 IonicContact CZ-OE1 3.79Å; R10-E13 VanDerWaalsContact CZ-OE1 3.29Å; R10-E13 PolarHBondContact N-OE2 3.31Å; R10-E13 IonicContact NE-OE1 2.73Å; R10-E13 PolarHBondContact NE-OE1 3.21Å; R10-E13 IonicContact NE-OE2 3.61Å; R10-E13 IonicContact NH2-OE1 3.87Å; R10-E13 PolarHBondContact NH2-OE1 3.1Å; R10-E13 WeakPolarHBondContact O-CB 3.46Å; R10-E13 PolarHBondContact O-N 3.29Å; E11-E13 PolarHBondContact O-N 3.14Å; E13-E16 PolarHBondContact O-N 3.17Å; E13-I17 WeakPolarHBondContact O-CD1 3.15Å; E13-I17 VanDerWaalsContact O-CG1 3.27Å; E13-I17 WeakPolarHBondContact O-CG1 3.41Å; E13-I17 PolarHBondContact O-N 3.48Å
14	I	88.8	Confident	78.4	Confident	8 Å²	8	90.9 Å²	90.9	4%	0.041	46%	0.458	C	S	.	.	H	α-helix	trans	-66	-44.5	177.5	-60.5	170.7	0	0	0	110.4	L9 R10 E11 E16 I17 K18 H25 I28	L9-I14 HydrophobicContact CB-CD1 3.91Å; L9-I14 HydrophobicContact CB-CG1 3.77Å; L9-I14 HydrophobicContact CD1-CG1 4.33Å; R10-I14 WeakPolarHBondContact O-CG1 3.47Å; R10-I14 PolarHBondContact O-N 3.16Å; R10-I14 VanDerWaalsContact O-N 3.08Å; E11-I14 PolarHBondContact O-N 2.91Å; I14-E16 VanDerWaalsContact C-N 3.32Å; I14-E16 PolarHBondContact O-N 3.04Å; I14-I17 PolarHBondContact O-N 3.37Å; I14-K18 WeakPolarHBondContact O-CB 3.46Å; I14-K18 PolarHBondContact O-N 2.8Å; I14-H25 WeakPolarHBondContact CG2-ND1 3.48Å; I14-I28 HydrophobicContact CG1-CG2 4.36Å; I14-I28 HydrophobicContact CG2-CB 4.27Å; I14-I28 HydrophobicContact CG2-CD1 3.82Å; I14-I28 HydrophobicContact CG2-CG2 4.11Å
15	E	89.8	Confident	80.8	Confident	90 Å²	90	82.5 Å²	82.5	42%	0.421	43%	0.43	S	S	.	.	H	α-helix	trans	-66.6	-34.5	177.2	-71.7	-58.8	134.3	0	0	112.1	E11 E12 K18 K19	E11-E15 PolarHBondContact O-N 3.36Å; E12-E15 PolarHBondContact O-N 3.1Å; E15-K18 VanDerWaalsContact CD-NZ 3.3Å; E15-K18 IonicContact OE1-NZ 2.71Å; E15-K18 PolarHBondContact OE1-NZ 3.04Å; E15-K18 IonicContact OE2-NZ 3.83Å; E15-K18 PolarHBondContact OE2-NZ 3.04Å; E15-K19 WeakPolarHBondContact O-CB 3.48Å; E15-K19 PolarHBondContact O-N 3.15Å
16	E	90.2	Very high	83.1	Confident	104 Å²	104	82.6 Å²	82.6	49%	0.486	43%	0.426	S	S	.	.	H	α-helix	trans	-63.7	-52.2	173.4	-166.2	-173.7	167.5	0	0	111.6	E12 E13 I14 K18 K19 E20 K81	E12-E16 PolarHBondContact O-N 3.27Å; E13-E16 PolarHBondContact O-N 3.17Å; I14-E16 VanDerWaalsContact C-N 3.32Å; I14-E16 PolarHBondContact O-N 3.04Å; E16-K18 VanDerWaalsContact C-N 3.28Å; E16-K18 PolarHBondContact O-N 3.06Å; E16-K19 PolarHBondContact O-N 3.36Å; E16-E20 PolarHBondContact O-N 2.98Å; E16-K81 IonicContact OE1-NZ 2.89Å; E16-K81 PolarHBondContact OE1-NZ 3.16Å
17	I	90.9	Very high	85.4	Confident	6 Å²	6	79.1 Å²	79.1	3%	0.031	40%	0.396	C	S	.	.	H	α-helix	trans	-68.9	-33	-178.2	-38.3	148.1	0	0	0	110.1	L9 E13 I14 K19 E20 T21 I28 F80 M84	L9-I17 HydrophobicContact CD2-CD1 4.46Å; E13-I17 WeakPolarHBondContact O-CD1 3.15Å; E13-I17 VanDerWaalsContact O-CG1 3.27Å; E13-I17 WeakPolarHBondContact O-CG1 3.41Å; E13-I17 PolarHBondContact O-N 3.48Å; I14-I17 PolarHBondContact O-N 3.37Å; I17-K19 VanDerWaalsContact C-N 3.34Å; I17-K19 PolarHBondContact O-N 3.33Å; I17-E20 PolarHBondContact O-N 3.38Å; I17-T21 VanDerWaalsContact O-CB 3.29Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 WeakPolarHBondContact O-CG2 3.47Å; I17-T21 PolarHBondContact O-N 3.4Å; I17-T21 PolarHBondContact O-OG1 2.63Å; I17-I28 HydrophobicContact CG2-CB 4.42Å; I17-I28 HydrophobicContact CG2-CD1 3.51Å; I17-I28 HydrophobicContact CG2-CG1 3.69Å; I17-I28 HydrophobicContact CG2-CG2 3.81Å; I17-F80 HydrophobicContact CD1-CD1 3.69Å; I17-F80 HydrophobicContact CD1-CE1 3.55Å; I17-M84 HydrophobicContact CG2-CE 4.18Å
18	K	90.1	Very high	87.2	Confident	77 Å²	77	73.5 Å²	73.5	34%	0.335	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-43.1	173.1	172.3	171.7	162.5	-143.6	0	111.8	I14 E15 E16 G22 F23 I28	I14-K18 WeakPolarHBondContact O-CB 3.46Å; I14-K18 PolarHBondContact O-N 2.8Å; E15-K18 VanDerWaalsContact CD-NZ 3.3Å; E15-K18 IonicContact OE1-NZ 2.71Å; E15-K18 PolarHBondContact OE1-NZ 3.04Å; E15-K18 IonicContact OE2-NZ 3.83Å; E15-K18 PolarHBondContact OE2-NZ 3.04Å; E16-K18 VanDerWaalsContact C-N 3.28Å; E16-K18 PolarHBondContact O-N 3.06Å; K18-G22 WeakPolarHBondContact O-CA 3.44Å; K18-G22 PolarHBondContact O-N 2.97Å; K18-F23 WeakPolarHBondContact CG-O 3.21Å; K18-I28 HydrophobicContact CB-CD1 3.72Å
19	K	88.3	Confident	88.3	Confident	193 Å²	193	69 Å²	69	84%	0.839	34%	0.341	S	S	*	.	H	α-helix	trans	-66.1	-38.2	176.7	-174.3	-179.9	176.6	-174.7	0	112.1	E15 E16 I17	E15-K19 WeakPolarHBondContact O-CB 3.48Å; E15-K19 PolarHBondContact O-N 3.15Å; E16-K19 PolarHBondContact O-N 3.36Å; I17-K19 VanDerWaalsContact C-N 3.34Å; I17-K19 PolarHBondContact O-N 3.33Å
20	E	87.9	Confident	88.9	Confident	71 Å²	71	74.5 Å²	74.5	33%	0.332	36%	0.36	S	S	.	.	H	α-helix	trans	-77.7	-41.4	-178.1	-174.2	176.9	-170.2	0	0	113	E16 I17 K81 R85	E16-E20 PolarHBondContact O-N 2.98Å; I17-E20 PolarHBondContact O-N 3.38Å; E20-K81 WeakPolarHBondContact OE2-CE 3.46Å; E20-K81 IonicContact OE2-NZ 2.79Å; E20-R85 WeakPolarHBondContact OE1-CD 3.49Å; E20-R85 IonicContact OE1-CZ 3.03Å; E20-R85 IonicContact OE1-NE 2.84Å; E20-R85 PolarHBondContact OE1-NE 2.95Å; E20-R85 IonicContact OE2-NE 3.29Å
21	T	88.9	Confident	89.2	Confident	4 Å²	4	68.4 Å²	68.4	3%	0.025	34%	0.338	C	S	.	.	H	α-helix	trans	-105.2	-18.5	-169.5	65.9	0	0	0	0	113.8	I17 F23 M84 A88 R91	I17-T21 VanDerWaalsContact O-CB 3.29Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 WeakPolarHBondContact O-CG2 3.47Å; I17-T21 PolarHBondContact O-N 3.4Å; I17-T21 PolarHBondContact O-OG1 2.63Å; T21-F23 VanDerWaalsContact C-N 3.25Å; T21-F23 HydrophobicContact CG2-CD2 4.46Å; T21-F23 PolarHBondContact O-N 2.84Å; T21-F23 VanDerWaalsContact OG1-CD2 3.26Å; T21-F23 WeakPolarHBondContact OG1-CD2 3.42Å; T21-F23 PolarHBondContact OG1-N 2.83Å; T21-M84 HydrophobicContact CG2-CB 4.16Å; T21-A88 HydrophobicContact CG2-CB 4.06Å; T21-R91 WeakPolarHBondContact O-CD 3.33Å; T21-R91 VanDerWaalsContact O-CZ 3.29Å; T21-R91 PolarHBondContact O-NE 2.78Å; T21-R91 PolarHBondContact O-NH1 3.2Å
22	G	87.6	Confident	89.5	Confident	34 Å²	34	63.5 Å²	63.5	35%	0.351	31%	0.313	S	S	.	.			trans	70.4	10.1	-174.5	0	0	0	0	0	115.3	K18 R91	K18-G22 WeakPolarHBondContact O-CA 3.44Å; K18-G22 PolarHBondContact O-N 2.97Å; G22-R91 PolarHBondContact O-NE 3.28Å; G22-R91 PolarHBondContact O-NH2 3.01Å
23	F	89.8	Confident	89.6	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.009	30%	0.303	C	S	.	.			trans	-69.4	146	172.8	-76	-69.3	0	0	0	111.9	K18 T21 Q27 I28 L31 M84 L87 A88 R91 F193	K18-F23 WeakPolarHBondContact CG-O 3.21Å; T21-F23 VanDerWaalsContact C-N 3.25Å; T21-F23 HydrophobicContact CG2-CD2 4.46Å; T21-F23 PolarHBondContact O-N 2.84Å; T21-F23 VanDerWaalsContact OG1-CD2 3.26Å; T21-F23 WeakPolarHBondContact OG1-CD2 3.42Å; T21-F23 PolarHBondContact OG1-N 2.83Å; F23-Q27 HydrophobicContact CB-CB 4.23Å; F23-Q27 HydrophobicContact CD1-CB 4.05Å; F23-I28 HydrophobicContact CB-CD1 4.17Å; F23-I28 HydrophobicContact CB-CG1 3.71Å; F23-L31 HydrophobicContact CD1-CD1 4.43Å; F23-L31 HydrophobicContact CE1-CD1 4.27Å; F23-L31 HydrophobicContact CZ-CD1 4.31Å; F23-M84 HydrophobicContact CB-CE 4.11Å; F23-M84 HydrophobicContact CD2-CE 3.3Å; F23-M84 HydrophobicContact CE2-CE 3.87Å; F23-M84 HydrophobicContact CG-CE 3.86Å; F23-L87 HydrophobicContact CE2-CB 4.2Å; F23-L87 HydrophobicContact CZ-CB 4.08Å; F23-A88 HydrophobicContact CE2-CB 4.07Å; F23-R91 HydrophobicContact CD1-CG 4.06Å; F23-R91 HydrophobicContact CE1-CG 3.42Å; F23-R91 VanDerWaalsContact CE1-CG 3.42Å; F23-R91 HydrophobicContact CE2-CG 4.13Å; F23-R91 HydrophobicContact CZ-CG 3.46Å; F23-R91 VanDerWaalsContact CZ-CG 3.46Å; F23-F193 HydrophobicContact CE1-CD2 4.07Å; F23-F193 AromaticContact CE1-CE2 3.55Å; F23-F193 HydrophobicContact CE1-CE2 3.55Å; F23-F193 AromaticContact CE1-CZ 3.9Å; F23-F193 HydrophobicContact CE1-CZ 3.9Å; F23-F193 HydrophobicContact CZ-CE2 4.06Å; F23-F193 HydrophobicContact CZ-CZ 4.1Å
24	S	89.9	Confident	89.7	Confident	45 Å²	45	64.6 Å²	64.6	32%	0.315	32%	0.319	S	S	.	.			trans	-69.8	159.4	172.5	79.6	0	0	0	0	111.4	S26 Q27 I28	S24-S26 VanDerWaalsContact C-N 3.28Å; S24-S26 PolarHBondContact O-N 3.13Å; S24-S26 PolarHBondContact OG-OG 3.2Å; S24-S26 VanDerWaalsContact OG-OG 3.04Å; S24-Q27 WeakPolarHBondContact O-CB 3.46Å; S24-Q27 PolarHBondContact O-N 3.41Å; S24-Q27 VanDerWaalsContact O-N 3.11Å; S24-Q27 VanDerWaalsContact OG-CG 3.29Å; S24-Q27 WeakPolarHBondContact OG-CG 3.44Å; S24-Q27 PolarHBondContact OG-N 3.08Å; S24-Q27 PolarHBondContact OG-OE1 3.17Å; S24-I28 VanDerWaalsContact O-CG1 3.32Å; S24-I28 WeakPolarHBondContact O-CG1 3.5Å; S24-I28 PolarHBondContact O-N 3.29Å
25	H	89.8	Confident	89.9	Confident	82 Å²	82	64.4 Å²	64.4	38%	0.38	32%	0.317	S	S	.	.	H	α-helix	trans	-55	-43.5	177.1	-168	100.1	0	0	0	112	I14 Q27 I28 T29	I14-H25 WeakPolarHBondContact CG2-ND1 3.48Å; H25-Q27 PolarHBondContact O-N 3.32Å; H25-I28 PolarHBondContact O-N 3.41Å; H25-T29 PolarHBondContact O-N 3.01Å; H25-T29 VanDerWaalsContact O-N 3.09Å; H25-T29 PolarHBondContact O-OG1 2.99Å; H25-T29 VanDerWaalsContact O-OG1 3.1Å
26	S	88.5	Confident	89.9	Confident	86 Å²	86	63.2 Å²	63.2	60%	0.601	32%	0.316	S	S	*	.	H	α-helix	trans	-66.5	-37	178	55.4	0	0	0	0	113.1	S24 R30	S24-S26 VanDerWaalsContact C-N 3.28Å; S24-S26 PolarHBondContact O-N 3.13Å; S24-S26 PolarHBondContact OG-OG 3.2Å; S24-S26 VanDerWaalsContact OG-OG 3.04Å; S26-R30 WeakPolarHBondContact O-CB 3.42Å; S26-R30 PolarHBondContact O-N 3.08Å; S26-R30 VanDerWaalsContact O-N 3.1Å
27	Q	89.8	Confident	90	Very high	47 Å²	47	60.8 Å²	60.8	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-64.5	-44.6	175.4	-74	170.3	-31.4	0	0	111	F23 S24 H25 R30 L31	F23-Q27 HydrophobicContact CB-CB 4.23Å; F23-Q27 HydrophobicContact CD1-CB 4.05Å; S24-Q27 WeakPolarHBondContact O-CB 3.46Å; S24-Q27 PolarHBondContact O-N 3.41Å; S24-Q27 VanDerWaalsContact O-N 3.11Å; S24-Q27 VanDerWaalsContact OG-CG 3.29Å; S24-Q27 WeakPolarHBondContact OG-CG 3.44Å; S24-Q27 PolarHBondContact OG-N 3.08Å; S24-Q27 PolarHBondContact OG-OE1 3.17Å; H25-Q27 PolarHBondContact O-N 3.32Å; Q27-R30 PolarHBondContact O-N 3.22Å; Q27-L31 WeakPolarHBondContact O-CB 3.41Å; Q27-L31 VanDerWaalsContact O-CG 3.29Å; Q27-L31 WeakPolarHBondContact O-CG 3.4Å; Q27-L31 PolarHBondContact O-N 2.9Å
28	I	91.6	Very high	90	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-48.8	178.8	-64.1	160.7	0	0	0	110.5	L9 I14 I17 K18 F23 S24 H25 R30 L31 Y32 F80 M84	L9-I28 HydrophobicContact CD1-CG2 4.16Å; I14-I28 HydrophobicContact CG1-CG2 4.36Å; I14-I28 HydrophobicContact CG2-CB 4.27Å; I14-I28 HydrophobicContact CG2-CD1 3.82Å; I14-I28 HydrophobicContact CG2-CG2 4.11Å; I17-I28 HydrophobicContact CG2-CB 4.42Å; I17-I28 HydrophobicContact CG2-CD1 3.51Å; I17-I28 HydrophobicContact CG2-CG1 3.69Å; I17-I28 HydrophobicContact CG2-CG2 3.81Å; K18-I28 HydrophobicContact CB-CD1 3.72Å; F23-I28 HydrophobicContact CB-CD1 4.17Å; F23-I28 HydrophobicContact CB-CG1 3.71Å; S24-I28 VanDerWaalsContact O-CG1 3.32Å; S24-I28 WeakPolarHBondContact O-CG1 3.5Å; S24-I28 PolarHBondContact O-N 3.29Å; H25-I28 PolarHBondContact O-N 3.41Å; I28-R30 VanDerWaalsContact C-N 3.31Å; I28-R30 PolarHBondContact O-N 3.49Å; I28-L31 PolarHBondContact O-N 2.82Å; I28-Y32 WeakPolarHBondContact O-CB 3.48Å; I28-Y32 PolarHBondContact O-N 3.15Å; I28-F80 HydrophobicContact CG2-CE1 4.04Å; I28-F80 HydrophobicContact CG2-CZ 4.07Å; I28-M84 HydrophobicContact CB-CE 4.44Å; I28-M84 HydrophobicContact CG1-CE 3.82Å
29	T	90	Very high	90	Very high	58 Å²	58	58.9 Å²	58.9	36%	0.356	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-38.5	179.5	-55.6	0	0	0	0	112.5	H25 Y32 S33	H25-T29 PolarHBondContact O-N 3.01Å; H25-T29 VanDerWaalsContact O-N 3.09Å; H25-T29 PolarHBondContact O-OG1 2.99Å; H25-T29 VanDerWaalsContact O-OG1 3.1Å; T29-Y32 PolarHBondContact O-N 2.82Å; T29-S33 PolarHBondContact O-N 3.5Å; T29-S33 PolarHBondContact O-OG 2.9Å
30	R	89.6	Confident	89.8	Confident	140 Å²	140	56.4 Å²	56.4	53%	0.528	29%	0.294	S	S	.	.	H	α-helix	trans	-68.2	-42.8	176.7	-173.8	173.5	180	178	-4.9	111.9	S26 Q27 I28 Y32 S33 R34 L194	S26-R30 WeakPolarHBondContact O-CB 3.42Å; S26-R30 PolarHBondContact O-N 3.08Å; S26-R30 VanDerWaalsContact O-N 3.1Å; Q27-R30 PolarHBondContact O-N 3.22Å; I28-R30 VanDerWaalsContact C-N 3.31Å; I28-R30 PolarHBondContact O-N 3.49Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; R30-S33 PolarHBondContact O-N 3.46Å; R30-R34 PolarHBondContact O-N 3.25Å; R30-R34 VanDerWaalsContact O-N 3.1Å; R30-L194 PolarHBondContact NH1-O 3.02Å
31	L	91.1	Very high	89.5	Confident	20 Å²	20	55.7 Å²	55.7	11%	0.105	31%	0.305	C	S	.	.	H	α-helix	trans	-67.1	-35.9	176.7	-72.1	171.3	0	0	0	111.7	F23 Q27 I28 R34 F35 M84 L87 F193	F23-L31 HydrophobicContact CD1-CD1 4.43Å; F23-L31 HydrophobicContact CE1-CD1 4.27Å; F23-L31 HydrophobicContact CZ-CD1 4.31Å; Q27-L31 WeakPolarHBondContact O-CB 3.41Å; Q27-L31 VanDerWaalsContact O-CG 3.29Å; Q27-L31 WeakPolarHBondContact O-CG 3.4Å; Q27-L31 PolarHBondContact O-N 2.9Å; I28-L31 PolarHBondContact O-N 2.82Å; L31-R34 WeakPolarHBondContact O-CB 3.46Å; L31-R34 PolarHBondContact O-N 3.09Å; L31-F35 WeakPolarHBondContact O-CB 3.29Å; L31-F35 PolarHBondContact O-N 3.18Å; L31-M84 HydrophobicContact CB-SD 3.71Å; L31-M84 HydrophobicContact CD1-CE 3.74Å; L31-M84 HydrophobicContact CD1-SD 3.63Å; L31-M84 HydrophobicContact CG-SD 4.3Å; L31-L87 HydrophobicContact CD1-CD1 4.08Å; L31-L87 HydrophobicContact CD2-CD1 3.72Å; L31-L87 HydrophobicContact CG-CD1 4.45Å; L31-F193 HydrophobicContact CD2-CE1 4.28Å
32	Y	91.6	Very high	89.2	Confident	55 Å²	55	64.1 Å²	64.1	22%	0.216	34%	0.344	C	S	.	.	H	α-helix	trans	-63.9	-43.1	173.2	-172.3	-112.6	0	0	0	112.3	L9 I28 T29 R30 R34 F35 T36 F80	L9-Y32 HydrophobicContact CD1-CD1 3.69Å; L9-Y32 HydrophobicContact CD1-CD2 3.38Å; L9-Y32 HydrophobicContact CD1-CE1 4.27Å; L9-Y32 HydrophobicContact CD1-CE2 4.01Å; L9-Y32 HydrophobicContact CD1-CG 3.19Å; L9-Y32 HydrophobicContact CD2-CD2 4.32Å; L9-Y32 HydrophobicContact CD2-CE2 4.29Å; L9-Y32 HydrophobicContact CG-CD1 4.01Å; L9-Y32 HydrophobicContact CG-CD2 3.71Å; L9-Y32 HydrophobicContact CG-CE1 4.08Å; L9-Y32 HydrophobicContact CG-CE2 3.78Å; L9-Y32 HydrophobicContact CG-CG 3.82Å; I28-Y32 WeakPolarHBondContact O-CB 3.48Å; I28-Y32 PolarHBondContact O-N 3.15Å; T29-Y32 PolarHBondContact O-N 2.82Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-R34 PolarHBondContact O-N 3.1Å; Y32-F35 WeakPolarHBondContact O-CB 3.29Å; Y32-F35 PolarHBondContact O-N 3.08Å; Y32-F35 VanDerWaalsContact O-N 3.15Å; Y32-T36 HydrophobicContact CD1-CG2 4.25Å; Y32-T36 HydrophobicContact CE1-CG2 3.88Å; Y32-T36 HydrophobicContact CE2-CG2 4.19Å; Y32-T36 WeakPolarHBondContact O-CG2 3.48Å; Y32-T36 PolarHBondContact O-N 3.19Å; Y32-T36 PolarHBondContact O-OG1 3.37Å; Y32-T36 VanDerWaalsContact O-OG1 3.14Å; Y32-F80 VanDerWaalsContact CA-CE2 3.43Å; Y32-F80 HydrophobicContact CD2-CB 4.48Å; Y32-F80 AromaticContact CD2-CD1 3.78Å; Y32-F80 HydrophobicContact CD2-CD1 3.78Å; Y32-F80 AromaticContact CD2-CD2 3.73Å; Y32-F80 HydrophobicContact CD2-CD2 3.73Å; Y32-F80 AromaticContact CD2-CE1 3.85Å; Y32-F80 HydrophobicContact CD2-CE1 3.85Å; Y32-F80 AromaticContact CD2-CE2 3.81Å; Y32-F80 HydrophobicContact CD2-CE2 3.81Å; Y32-F80 AromaticContact CD2-CG 3.71Å; Y32-F80 HydrophobicContact CD2-CG 3.71Å; Y32-F80 AromaticContact CD2-CZ 3.85Å; Y32-F80 HydrophobicContact CD2-CZ 3.85Å; Y32-F80 HydrophobicContact CE2-CD1 4.31Å; Y32-F80 HydrophobicContact CE2-CG 4.2Å; Y32-F80 HydrophobicContact CG-CE1 4.46Å; Y32-F80 HydrophobicContact CG-CE2 4.33Å; Y32-F80 HydrophobicContact CG-CZ 4.22Å
33	S	89.9	Confident	89.2	Confident	68 Å²	68	66.5 Å²	66.5	48%	0.476	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-33.4	174.9	-56.9	0	0	0	0	112	T29 R30 T36 S37	T29-S33 PolarHBondContact O-N 3.5Å; T29-S33 PolarHBondContact O-OG 2.9Å; R30-S33 PolarHBondContact O-N 3.46Å; S33-T36 PolarHBondContact O-OG1 3.37Å; S33-S37 WeakPolarHBondContact O-CB 3.32Å; S33-S37 PolarHBondContact O-N 2.98Å
34	R	90.3	Very high	89.1	Confident	167 Å²	167	68.3 Å²	68.3	63%	0.63	37%	0.369	S	S	*	.	H	α-helix	trans	-71.4	-44.6	172.4	-73.7	-60.2	-151.2	174.6	7.7	111.8	R30 L31 Y32 T36 S37 L38	R30-R34 PolarHBondContact O-N 3.25Å; R30-R34 VanDerWaalsContact O-N 3.1Å; L31-R34 WeakPolarHBondContact O-CB 3.46Å; L31-R34 PolarHBondContact O-N 3.09Å; Y32-R34 PolarHBondContact O-N 3.1Å; R34-T36 PolarHBondContact O-N 3Å; R34-S37 PolarHBondContact O-N 3.49Å; R34-S37 VanDerWaalsContact O-N 3.16Å; R34-S37 PolarHBondContact O-OG 3.21Å; R34-L38 WeakPolarHBondContact O-CG 3.27Å; R34-L38 PolarHBondContact O-N 3.28Å
35	F	92.1	Very high	89.2	Confident	3 Å²	3	67.4 Å²	67.4	1%	0.013	36%	0.361	C	S	.	.	H	α-helix	trans	-56	-51.3	176.8	-179.2	-85.9	0	0	0	111.5	L31 Y32 S37 L38 D39 G44 L46 F80 F83	L31-F35 WeakPolarHBondContact O-CB 3.29Å; L31-F35 PolarHBondContact O-N 3.18Å; Y32-F35 WeakPolarHBondContact O-CB 3.29Å; Y32-F35 PolarHBondContact O-N 3.08Å; Y32-F35 VanDerWaalsContact O-N 3.15Å; F35-S37 VanDerWaalsContact C-N 3.26Å; F35-S37 PolarHBondContact O-N 3.11Å; F35-L38 WeakPolarHBondContact O-CB 3.24Å; F35-L38 PolarHBondContact O-N 3.25Å; F35-L38 VanDerWaalsContact O-N 3.08Å; F35-D39 PolarHBondContact O-N 2.67Å; F35-G44 WeakPolarHBondContact CZ-O 3.37Å; F35-L46 HydrophobicContact CD2-CD1 3.38Å; F35-L46 HydrophobicContact CD2-CG 3.79Å; F35-L46 HydrophobicContact CE2-CB 4.35Å; F35-L46 HydrophobicContact CE2-CD1 3.5Å; F35-L46 VanDerWaalsContact CE2-CD1 3.5Å; F35-L46 HydrophobicContact CE2-CD2 4.49Å; F35-L46 HydrophobicContact CE2-CG 3.45Å; F35-L46 VanDerWaalsContact CE2-CG 3.45Å; F35-L46 HydrophobicContact CG-CD1 4.19Å; F35-L46 HydrophobicContact CG-CG 4.46Å; F35-L46 HydrophobicContact CZ-CD1 4.36Å; F35-L46 HydrophobicContact CZ-CG 3.85Å; F35-F80 HydrophobicContact CB-CD2 3.83Å; F35-F80 HydrophobicContact CB-CE2 4.16Å; F35-F80 HydrophobicContact CD1-CB 4.34Å; F35-F80 HydrophobicContact CD1-CD2 4.19Å; F35-F80 HydrophobicContact CD2-CB 4.44Å; F35-F80 AromaticContact CD2-CD2 3.88Å; F35-F80 HydrophobicContact CD2-CD2 3.88Å; F35-F80 HydrophobicContact CE1-CB 4.18Å; F35-F80 HydrophobicContact CE2-CB 4.26Å; F35-F80 HydrophobicContact CE2-CD2 4.49Å; F35-F80 HydrophobicContact CG-CB 4.48Å; F35-F80 AromaticContact CG-CD2 3.71Å; F35-F80 HydrophobicContact CG-CD2 3.71Å; F35-F80 HydrophobicContact CZ-CB 4.14Å; F35-F83 HydrophobicContact CD2-CB 3.93Å; F35-F83 AromaticContact CD2-CD1 3.99Å; F35-F83 HydrophobicContact CD2-CD1 3.99Å; F35-F83 HydrophobicContact CD2-CD2 4.24Å; F35-F83 AromaticContact CD2-CG 3.8Å; F35-F83 HydrophobicContact CD2-CG 3.8Å; F35-F83 HydrophobicContact CE2-CB 3.98Å; F35-F83 HydrophobicContact CE2-CG 4.31Å
36	T	91.1	Very high	89.4	Confident	65 Å²	65	63.5 Å²	63.5	40%	0.399	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-27.6	178.3	55.4	0	0	0	0	113.1	Y32 S33 R34 L38	Y32-T36 HydrophobicContact CD1-CG2 4.25Å; Y32-T36 HydrophobicContact CE1-CG2 3.88Å; Y32-T36 HydrophobicContact CE2-CG2 4.19Å; Y32-T36 WeakPolarHBondContact O-CG2 3.48Å; Y32-T36 PolarHBondContact O-N 3.19Å; Y32-T36 PolarHBondContact O-OG1 3.37Å; Y32-T36 VanDerWaalsContact O-OG1 3.14Å; S33-T36 PolarHBondContact O-OG1 3.37Å; R34-T36 PolarHBondContact O-N 3Å; T36-L38 VanDerWaalsContact C-N 3.28Å; T36-L38 PolarHBondContact O-N 3.24Å
37	S	91.3	Very high	89.7	Confident	54 Å²	54	60.5 Å²	60.5	38%	0.378	32%	0.322	S	S	.	.	H	α-helix	trans	-70	-27.4	174.8	76.9	0	0	0	0	113.5	S33 R34 F35 K40	S33-S37 WeakPolarHBondContact O-CB 3.32Å; S33-S37 PolarHBondContact O-N 2.98Å; R34-S37 PolarHBondContact O-N 3.49Å; R34-S37 VanDerWaalsContact O-N 3.16Å; R34-S37 PolarHBondContact O-OG 3.21Å; F35-S37 VanDerWaalsContact C-N 3.26Å; F35-S37 PolarHBondContact O-N 3.11Å; S37-K40 PolarHBondContact O-NZ 3.34Å
38	L	90.8	Very high	89.7	Confident	31 Å²	31	62.2 Å²	62.2	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-85.7	-36.6	178.6	-66.5	168.7	0	0	0	111.7	R34 F35 T36 K40 L46 I54	R34-L38 WeakPolarHBondContact O-CG 3.27Å; R34-L38 PolarHBondContact O-N 3.28Å; F35-L38 WeakPolarHBondContact O-CB 3.24Å; F35-L38 PolarHBondContact O-N 3.25Å; F35-L38 VanDerWaalsContact O-N 3.08Å; T36-L38 VanDerWaalsContact C-N 3.28Å; T36-L38 PolarHBondContact O-N 3.24Å; L38-K40 PolarHBondContact O-N 3.25Å; L38-L46 HydrophobicContact CB-CD1 4.35Å; L38-L46 HydrophobicContact CB-CD2 3.61Å; L38-L46 HydrophobicContact CD1-CD1 4.3Å; L38-I54 HydrophobicContact CD1-CD1 3.85Å; L38-I54 HydrophobicContact CD1-CG1 4.33Å; L38-I54 HydrophobicContact CD2-CD1 4.07Å; L38-I54 HydrophobicContact CD2-CG1 3.62Å
39	D	91.1	Very high	89.7	Confident	11 Å²	11	68.5 Å²	68.5	6%	0.059	36%	0.356	C	S	.	.			trans	-70.4	88.9	176	178.6	7.3	0	0	0	110.7	F35 G41 E42 N43 G44 L46	F35-D39 PolarHBondContact O-N 2.67Å; D39-G41 VanDerWaalsContact C-N 3.28Å; D39-G41 WeakPolarHBondContact OD1-CA 3.43Å; D39-G41 PolarHBondContact OD1-N 3.44Å; D39-E42 PolarHBondContact OD1-N 2.77Å; D39-E42 WeakPolarHBondContact OD2-CA 3.48Å; D39-N43 PolarHBondContact OD1-N 3.45Å; D39-N43 PolarHBondContact OD1-OD1 3.28Å; D39-N43 PolarHBondContact OD2-N 3.34Å; D39-N43 VanDerWaalsContact OD2-N 3.13Å; D39-G44 WeakPolarHBondContact OD2-CA 3.43Å; D39-G44 PolarHBondContact OD2-N 3.08Å; D39-L46 HydrophobicContact CB-CD2 3.76Å; D39-L46 VanDerWaalsContact N-CD2 3.31Å
40	K	83.6	Confident	89.8	Confident	141 Å²	141	66.3 Å²	66.3	61%	0.613	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.4	174.4	-64.4	-60.3	-179.7	-161.2	0	113	S37 L38 E42	S37-K40 PolarHBondContact O-NZ 3.34Å; L38-K40 PolarHBondContact O-N 3.25Å; K40-E42 VanDerWaalsContact C-N 3.25Å
41	G	80.6	Confident	89.9	Confident	56 Å²	56	59.7 Å²	59.7	58%	0.577	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-15.9	177.6	0	0	0	0	0	112.8	D39 N43	D39-G41 VanDerWaalsContact C-N 3.28Å; D39-G41 WeakPolarHBondContact OD1-CA 3.43Å; D39-G41 PolarHBondContact OD1-N 3.44Å; G41-N43 PolarHBondContact O-N 3.04Å; G41-N43 VanDerWaalsContact O-N 3.15Å
42	E	83.9	Confident	89.8	Confident	181 Å²	181	63.9 Å²	63.9	85%	0.846	34%	0.336	S	S	*	.			trans	49.3	33.8	-170.8	-61.1	-173.8	171.9	0	0	111.7	D39 K40	D39-E42 PolarHBondContact OD1-N 2.77Å; D39-E42 WeakPolarHBondContact OD2-CA 3.48Å; K40-E42 VanDerWaalsContact C-N 3.25Å
43	N	86.8	Confident	89.7	Confident	85 Å²	85	67.1 Å²	67.1	46%	0.455	35%	0.348	S	S	.	.	S	Bend	trans	-98.5	-1.7	-176.1	66.3	2.2	0	0	0	112.3	D39 G41 T45	D39-N43 PolarHBondContact OD1-N 3.45Å; D39-N43 PolarHBondContact OD1-OD1 3.28Å; D39-N43 PolarHBondContact OD2-N 3.34Å; D39-N43 VanDerWaalsContact OD2-N 3.13Å; G41-N43 PolarHBondContact O-N 3.04Å; G41-N43 VanDerWaalsContact O-N 3.15Å; N43-T45 VanDerWaalsContact C-N 3.3Å; N43-T45 PolarHBondContact ND2-OG1 2.81Å; N43-T45 PolarHBondContact OD1-N 3.05Å; N43-T45 PolarHBondContact OD1-O 2.73Å; N43-T45 PolarHBondContact OD1-OG1 2.96Å; N43-T45 VanDerWaalsContact OD1-OG1 3.05Å
44	G	88.3	Confident	89.7	Confident	40 Å²	40	65.6 Å²	65.6	41%	0.412	33%	0.334	S	S	.	.	S	Bend	trans	79.9	10.7	179.9	0	0	0	0	0	113.8	F35 D39	F35-G44 WeakPolarHBondContact CZ-O 3.37Å; D39-G44 WeakPolarHBondContact OD2-CA 3.43Å; D39-G44 PolarHBondContact OD2-N 3.08Å
45	T	92.6	Very high	89.6	Confident	25 Å²	25	61.7 Å²	61.7	15%	0.153	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.5	178.5	63.2	0	0	0	0	111.1	N43 Q77 V78 N79	N43-T45 VanDerWaalsContact C-N 3.3Å; N43-T45 PolarHBondContact ND2-OG1 2.81Å; N43-T45 PolarHBondContact OD1-N 3.05Å; N43-T45 PolarHBondContact OD1-O 2.73Å; N43-T45 PolarHBondContact OD1-OG1 2.96Å; N43-T45 VanDerWaalsContact OD1-OG1 3.05Å; T45-Q77 VanDerWaalsContact OG1-CD 3.3Å; T45-Q77 PolarHBondContact OG1-OE1 2.97Å; T45-V78 CarbonylContact C-O 3.53Å; T45-V78 VanDerWaalsContact CA-O 3.3Å; T45-V78 WeakPolarHBondContact CA-O 3.3Å; T45-N79 HydrophobicContact CG2-CB 4.28Å
46	L	93.6	Very high	89.5	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.3	172.5	-64	176.8	0	0	0	109.3	F35 L38 D39 D50 F51 F71 Q77 V78 F83	F35-L46 HydrophobicContact CD2-CD1 3.38Å; F35-L46 HydrophobicContact CD2-CG 3.79Å; F35-L46 HydrophobicContact CE2-CB 4.35Å; F35-L46 HydrophobicContact CE2-CD1 3.5Å; F35-L46 VanDerWaalsContact CE2-CD1 3.5Å; F35-L46 HydrophobicContact CE2-CD2 4.49Å; F35-L46 HydrophobicContact CE2-CG 3.45Å; F35-L46 VanDerWaalsContact CE2-CG 3.45Å; F35-L46 HydrophobicContact CG-CD1 4.19Å; F35-L46 HydrophobicContact CG-CG 4.46Å; F35-L46 HydrophobicContact CZ-CD1 4.36Å; F35-L46 HydrophobicContact CZ-CG 3.85Å; L38-L46 HydrophobicContact CB-CD1 4.35Å; L38-L46 HydrophobicContact CB-CD2 3.61Å; L38-L46 HydrophobicContact CD1-CD1 4.3Å; D39-L46 HydrophobicContact CB-CD2 3.76Å; D39-L46 VanDerWaalsContact N-CD2 3.31Å; L46-D50 HydrophobicContact CB-CB 4.4Å; L46-D50 HydrophobicContact CD2-CB 3.95Å; L46-F51 HydrophobicContact CB-CD2 4.33Å; L46-F51 HydrophobicContact CB-CE2 3.73Å; L46-F51 HydrophobicContact CB-CZ 4.41Å; L46-F51 HydrophobicContact CD1-CE2 4.16Å; L46-F51 HydrophobicContact CD1-CZ 4.05Å; L46-F71 WeakPolarHBondContact O-CE1 3.23Å; L46-Q77 CarbonylContact O-C 3.58Å; L46-Q77 VanDerWaalsContact O-CA 3.29Å; L46-Q77 WeakPolarHBondContact O-CA 3.42Å; L46-V78 HydrophobicContact CB-CG1 3.89Å; L46-V78 PolarHBondContact N-O 2.9Å; L46-V78 PolarHBondContact O-N 2.82Å; L46-F83 HydrophobicContact CD1-CD2 4.08Å; L46-F83 HydrophobicContact CD1-CE2 4.26Å
47	S	93.4	Very high	89.3	Confident	23 Å²	23	66.2 Å²	66.2	16%	0.161	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	169.1	170.6	69.1	0	0	0	0	111.3	E49 D50 F51	S47-E49 PolarHBondContact O-N 2.97Å; S47-D50 WeakPolarHBondContact CB-OD2 3.44Å; S47-D50 PolarHBondContact N-OD2 2.71Å; S47-D50 WeakPolarHBondContact O-CB 3.44Å; S47-D50 PolarHBondContact O-N 3.42Å; S47-D50 PolarHBondContact OG-N 3.07Å; S47-D50 PolarHBondContact OG-OD2 3.08Å; S47-F51 WeakPolarHBondContact O-CD2 3.44Å; S47-F51 PolarHBondContact O-N 3.03Å
48	R	91.1	Very high	89.1	Confident	83 Å²	83	66.9 Å²	66.9	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-54.2	-39	174.4	-63	168.5	-177.5	-75.9	-3.3	112.2	D50 F51 Q52 I67 N68 F71 D76	R48-D50 VanDerWaalsContact C-N 3.3Å; R48-D50 PolarHBondContact O-N 3.03Å; R48-F51 PolarHBondContact O-N 3.26Å; R48-Q52 PolarHBondContact O-N 2.97Å; R48-Q52 VanDerWaalsContact O-N 3.08Å; R48-I67 HydrophobicContact CB-CG2 4.43Å; R48-I67 HydrophobicContact CG-CG2 4.4Å; R48-N68 PolarHBondContact NH1-OD1 3.13Å; R48-F71 HydrophobicContact CG-CD2 4.2Å; R48-F71 HydrophobicContact CG-CE1 4.48Å; R48-F71 HydrophobicContact CG-CE2 3.76Å; R48-F71 HydrophobicContact CG-CZ 3.91Å; R48-D76 IonicContact CZ-OD1 2.62Å; R48-D76 IonicContact NE-OD1 3.5Å; R48-D76 PolarHBondContact NE-OD1 3.1Å; R48-D76 VanDerWaalsContact NE-OD1 3.1Å; R48-D76 IonicContact NH2-OD1 2.87Å
49	E	90.4	Very high	88.9	Confident	132 Å²	132	72.1 Å²	72.1	62%	0.617	38%	0.383	S	S	*	.	H	α-helix	trans	-64.4	-35.7	178.7	-63.7	168.2	-173.7	0	0	111.7	S47 F51 Q52 R53	S47-E49 PolarHBondContact O-N 2.97Å; E49-F51 VanDerWaalsContact C-N 3.34Å; E49-Q52 PolarHBondContact O-N 3.39Å; E49-R53 PolarHBondContact O-N 3.46Å
50	D	92.7	Very high	88.8	Confident	11 Å²	11	74.4 Å²	74.4	6%	0.059	40%	0.395	C	S	.	.	H	α-helix	trans	-66.7	-37.5	177.1	-58.4	-53.3	0	0	0	111.4	L46 S47 R48 R53	L46-D50 HydrophobicContact CB-CB 4.4Å; L46-D50 HydrophobicContact CD2-CB 3.95Å; S47-D50 WeakPolarHBondContact CB-OD2 3.44Å; S47-D50 PolarHBondContact N-OD2 2.71Å; S47-D50 WeakPolarHBondContact O-CB 3.44Å; S47-D50 PolarHBondContact O-N 3.42Å; S47-D50 PolarHBondContact OG-N 3.07Å; S47-D50 PolarHBondContact OG-OD2 3.08Å; R48-D50 VanDerWaalsContact C-N 3.3Å; R48-D50 PolarHBondContact O-N 3.03Å; D50-R53 WeakPolarHBondContact O-CB 3.46Å; D50-R53 PolarHBondContact O-N 2.82Å; D50-R53 IonicContact OD1-CZ 3.49Å; D50-R53 IonicContact OD1-NH1 2.63Å; D50-R53 PolarHBondContact OD1-NH1 3.33Å; D50-R53 IonicContact OD1-NH2 3.73Å
51	F	91.6	Very high	88.9	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.009	39%	0.389	C	S	.	.	H	α-helix	trans	-70.1	-35	174.4	-76.8	-88.7	0	0	0	113.2	L46 S47 R48 E49 R53 I54 L57 I67 F70 F71 V78 F83	L46-F51 HydrophobicContact CB-CD2 4.33Å; L46-F51 HydrophobicContact CB-CE2 3.73Å; L46-F51 HydrophobicContact CB-CZ 4.41Å; L46-F51 HydrophobicContact CD1-CE2 4.16Å; L46-F51 HydrophobicContact CD1-CZ 4.05Å; S47-F51 WeakPolarHBondContact O-CD2 3.44Å; S47-F51 PolarHBondContact O-N 3.03Å; R48-F51 PolarHBondContact O-N 3.26Å; E49-F51 VanDerWaalsContact C-N 3.34Å; F51-R53 PolarHBondContact O-N 3.37Å; F51-I54 HydrophobicContact CD1-CD1 4.05Å; F51-I54 VanDerWaalsContact O-CB 3.27Å; F51-I54 WeakPolarHBondContact O-CB 3.44Å; F51-I54 WeakPolarHBondContact O-CG1 3.21Å; F51-I54 PolarHBondContact O-N 3.38Å; F51-L57 HydrophobicContact CD1-CD1 4.02Å; F51-I67 HydrophobicContact CB-CD1 3.76Å; F51-I67 HydrophobicContact CB-CG1 3.71Å; F51-I67 HydrophobicContact CB-CG2 4.06Å; F51-I67 HydrophobicContact CG-CG1 4.29Å; F51-I67 HydrophobicContact CG-CG2 4.39Å; F51-F70 HydrophobicContact CD1-CD2 4.45Å; F51-F70 HydrophobicContact CE1-CB 4.49Å; F51-F70 AromaticContact CE1-CD1 3.97Å; F51-F70 HydrophobicContact CE1-CD1 3.97Å; F51-F70 AromaticContact CE1-CD2 3.73Å; F51-F70 HydrophobicContact CE1-CD2 3.73Å; F51-F70 HydrophobicContact CE1-CE1 4.07Å; F51-F70 AromaticContact CE1-CE2 3.86Å; F51-F70 HydrophobicContact CE1-CE2 3.86Å; F51-F70 AromaticContact CE1-CG 3.79Å; F51-F70 HydrophobicContact CE1-CG 3.79Å; F51-F70 HydrophobicContact CE1-CZ 4.02Å; F51-F70 HydrophobicContact CE2-CB 4.21Å; F51-F70 HydrophobicContact CE2-CG 4.35Å; F51-F70 HydrophobicContact CZ-CB 3.85Å; F51-F70 AromaticContact CZ-CD1 3.63Å; F51-F70 HydrophobicContact CZ-CD1 3.63Å; F51-F70 AromaticContact CZ-CD2 3.94Å; F51-F70 HydrophobicContact CZ-CD2 3.94Å; F51-F70 HydrophobicContact CZ-CE1 4.14Å; F51-F70 HydrophobicContact CZ-CE2 4.43Å; F51-F70 AromaticContact CZ-CG 3.52Å; F51-F70 HydrophobicContact CZ-CG 3.52Å; F51-F71 HydrophobicContact CD2-CE2 4.08Å; F51-F71 AromaticContact CD2-CZ 3.8Å; F51-F71 HydrophobicContact CD2-CZ 3.8Å; F51-F71 HydrophobicContact CE2-CE2 4.11Å; F51-F71 AromaticContact CE2-CZ 3.72Å; F51-F71 HydrophobicContact CE2-CZ 3.72Å; F51-V78 HydrophobicContact CE2-CG1 3.74Å; F51-V78 HydrophobicContact CZ-CG1 4Å; F51-F83 HydrophobicContact CE1-CD2 4.27Å; F51-F83 HydrophobicContact CE1-CE2 4.02Å; F51-F83 AromaticContact CZ-CD2 3.96Å; F51-F83 HydrophobicContact CZ-CD2 3.96Å; F51-F83 HydrophobicContact CZ-CE2 4.15Å
52	Q	89.1	Confident	89.2	Confident	108 Å²	108	70.6 Å²	70.6	51%	0.505	37%	0.372	S	S	.	.	H	α-helix	trans	-64.3	-19.7	176.2	-74.2	-178.8	-16.2	0	0	112.9	R48 E49 I54 I67	R48-Q52 PolarHBondContact O-N 2.97Å; R48-Q52 VanDerWaalsContact O-N 3.08Å; E49-Q52 PolarHBondContact O-N 3.39Å; Q52-I54 PolarHBondContact O-N 3.39Å; Q52-I67 HydrophobicContact CG-CD1 4.21Å
53	R	88.8	Confident	89.5	Confident	123 Å²	123	62 Å²	62	46%	0.464	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.8	172.1	-62.4	-173.3	-169.5	121.9	7.1	113.5	E49 D50 F51 P55	E49-R53 PolarHBondContact O-N 3.46Å; D50-R53 WeakPolarHBondContact O-CB 3.46Å; D50-R53 PolarHBondContact O-N 2.82Å; D50-R53 IonicContact OD1-CZ 3.49Å; D50-R53 IonicContact OD1-NH1 2.63Å; D50-R53 PolarHBondContact OD1-NH1 3.33Å; D50-R53 IonicContact OD1-NH2 3.73Å; F51-R53 PolarHBondContact O-N 3.37Å; R53-P55 WeakPolarHBondContact O-CD 3.49Å
54	I	91	Very high	89.5	Confident	36 Å²	36	62.4 Å²	62.4	19%	0.185	33%	0.334	C	S	.	.			trans	-78.2	106.6	174.3	-59.3	168.7	0	0	0	107.4	L38 F51 Q52 E56 L57 A58	L38-I54 HydrophobicContact CD1-CD1 3.85Å; L38-I54 HydrophobicContact CD1-CG1 4.33Å; L38-I54 HydrophobicContact CD2-CD1 4.07Å; L38-I54 HydrophobicContact CD2-CG1 3.62Å; F51-I54 HydrophobicContact CD1-CD1 4.05Å; F51-I54 VanDerWaalsContact O-CB 3.27Å; F51-I54 WeakPolarHBondContact O-CB 3.44Å; F51-I54 WeakPolarHBondContact O-CG1 3.21Å; F51-I54 PolarHBondContact O-N 3.38Å; Q52-I54 PolarHBondContact O-N 3.39Å; I54-E56 HydrophobicContact CG2-CB 4.3Å; I54-E56 WeakPolarHBondContact CG2-OE2 3.44Å; I54-E56 PolarHBondContact O-N 2.94Å; I54-E56 VanDerWaalsContact O-N 3.17Å; I54-L57 HydrophobicContact CB-CB 4.19Å; I54-L57 HydrophobicContact CB-CD1 4.2Å; I54-L57 HydrophobicContact CB-CG 4.24Å; I54-L57 HydrophobicContact CD1-CD1 3.78Å; I54-L57 HydrophobicContact CG2-CB 4.25Å; I54-L57 HydrophobicContact CG2-CD1 4.31Å; I54-L57 HydrophobicContact CG2-CG 4Å; I54-L57 PolarHBondContact O-N 3.45Å; I54-A58 PolarHBondContact O-N 2.88Å
55	P	88.8	Confident	89.5	Confident	85 Å²	85	61.1 Å²	61.1	55%	0.552	32%	0.317	S	S	*	.	H	α-helix	trans	-58.9	-35.3	-174.3	-23.9	35.9	0	0	0	112.2	R53 L57 A58 I59	R53-P55 WeakPolarHBondContact O-CD 3.49Å; P55-L57 VanDerWaalsContact C-N 3.3Å; P55-L57 PolarHBondContact O-N 3.38Å; P55-A58 PolarHBondContact O-N 3.45Å; P55-I59 WeakPolarHBondContact O-CG1 3.26Å; P55-I59 WeakPolarHBondContact O-CG2 3.35Å; P55-I59 PolarHBondContact O-N 3.49Å; P55-I59 VanDerWaalsContact O-N 3.08Å
56	E	88.3	Confident	89.3	Confident	132 Å²	132	61.6 Å²	61.6	62%	0.617	32%	0.318	S	S	*	.	H	α-helix	trans	-65.7	-30.8	179.2	-57.1	89.7	160.4	0	0	112.9	I54 N60	I54-E56 HydrophobicContact CG2-CB 4.3Å; I54-E56 WeakPolarHBondContact CG2-OE2 3.44Å; I54-E56 PolarHBondContact O-N 2.94Å; I54-E56 VanDerWaalsContact O-N 3.17Å; E56-N60 WeakPolarHBondContact O-CB 3.27Å
57	L	88.3	Confident	89.1	Confident	30 Å²	30	61.8 Å²	61.8	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-81.9	-38.4	173.1	-71.6	-180	0	0	0	111.4	F51 I54 P55 I59 N60 G63 I66 I67	F51-L57 HydrophobicContact CD1-CD1 4.02Å; I54-L57 HydrophobicContact CB-CB 4.19Å; I54-L57 HydrophobicContact CB-CD1 4.2Å; I54-L57 HydrophobicContact CB-CG 4.24Å; I54-L57 HydrophobicContact CD1-CD1 3.78Å; I54-L57 HydrophobicContact CG2-CB 4.25Å; I54-L57 HydrophobicContact CG2-CD1 4.31Å; I54-L57 HydrophobicContact CG2-CG 4Å; I54-L57 PolarHBondContact O-N 3.45Å; P55-L57 VanDerWaalsContact C-N 3.3Å; P55-L57 PolarHBondContact O-N 3.38Å; L57-I59 VanDerWaalsContact C-N 3.27Å; L57-I59 PolarHBondContact O-N 2.98Å; L57-N60 WeakPolarHBondContact O-CB 3.12Å; L57-N60 PolarHBondContact O-N 2.69Å; L57-N60 VanDerWaalsContact O-N 3.08Å; L57-G63 WeakPolarHBondContact O-CA 3.29Å; L57-I66 HydrophobicContact CD2-CB 4.5Å; L57-I66 HydrophobicContact CD2-CD1 4.44Å; L57-I66 HydrophobicContact CD2-CG2 4.1Å; L57-I67 HydrophobicContact CD1-CG1 4.2Å
58	A	85.6	Confident	88.8	Confident	68 Å²	68	63.5 Å²	63.5	56%	0.562	33%	0.327	S	S	*	.	H	α-helix	trans	-62.8	-32.2	-179.5	0	0	0	0	0	113.1	I54 P55	I54-A58 PolarHBondContact O-N 2.88Å; P55-A58 PolarHBondContact O-N 3.45Å
59	I	88.1	Confident	88.7	Confident	141 Å²	141	61 Å²	61	72%	0.723	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.4	176.1	68.2	-179.5	0	0	0	113.4	P55 L57	P55-I59 WeakPolarHBondContact O-CG1 3.26Å; P55-I59 WeakPolarHBondContact O-CG2 3.35Å; P55-I59 PolarHBondContact O-N 3.49Å; P55-I59 VanDerWaalsContact O-N 3.08Å; L57-I59 VanDerWaalsContact C-N 3.27Å; L57-I59 PolarHBondContact O-N 2.98Å
60	N	87.7	Confident	88.7	Confident	60 Å²	60	55.3 Å²	55.3	32%	0.321	30%	0.297	S	S	.	.			trans	-79.5	125.8	-175.8	-174.1	-20.5	0	0	0	109.3	E56 L57 L62 G63	E56-N60 WeakPolarHBondContact O-CB 3.27Å; L57-N60 WeakPolarHBondContact O-CB 3.12Å; L57-N60 PolarHBondContact O-N 2.69Å; L57-N60 VanDerWaalsContact O-N 3.08Å; N60-L62 PolarHBondContact O-N 2.99Å; N60-L62 VanDerWaalsContact O-N 3.07Å; N60-L62 PolarHBondContact OD1-N 2.89Å; N60-G63 WeakPolarHBondContact O-CA 2.94Å; N60-G63 PolarHBondContact O-N 2.84Å
61	P	87.1	Confident	88.5	Confident	74 Å²	74	55 Å²	55	48%	0.481	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24	175.7	-24.4	33.7	0	0	0	113.9	M141	P61-M141 HydrophobicContact CB-CB 4.3Å; P61-M141 VanDerWaalsContact CB-O 3.28Å; P61-M141 WeakPolarHBondContact CB-O 3.3Å; P61-M141 WeakPolarHBondContact O-CE 3.13Å
62	L	86.9	Confident	87.9	Confident	42 Å²	42	57.9 Å²	57.9	22%	0.22	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	7.6	176	-53.2	176.2	0	0	0	112.4	N60 D64 R65 I66 V138 M141 M142	N60-L62 PolarHBondContact O-N 2.99Å; N60-L62 VanDerWaalsContact O-N 3.07Å; N60-L62 PolarHBondContact OD1-N 2.89Å; L62-D64 PolarHBondContact O-N 2.97Å; L62-R65 PolarHBondContact O-N 2.86Å; L62-R65 VanDerWaalsContact O-N 3.09Å; L62-I66 HydrophobicContact CB-CD1 4.28Å; L62-I66 WeakPolarHBondContact O-CG1 3.28Å; L62-I66 PolarHBondContact O-N 3.07Å; L62-V138 HydrophobicContact CD2-CG1 4.37Å; L62-M141 HydrophobicContact CD2-CB 4.48Å; L62-M142 HydrophobicContact CD1-CE 3.49Å; L62-M142 VanDerWaalsContact CD1-CE 3.49Å; L62-M142 HydrophobicContact CD2-CE 3.98Å; L62-M142 HydrophobicContact CD2-CG 4.28Å; L62-M142 HydrophobicContact CG-CE 4.32Å
63	G	88.9	Confident	87.3	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-51.6	-54.2	-175.3	0	0	0	0	0	111.9	L57 N60 R65 I66 I67	L57-G63 WeakPolarHBondContact O-CA 3.29Å; N60-G63 WeakPolarHBondContact O-CA 2.94Å; N60-G63 PolarHBondContact O-N 2.84Å; G63-R65 VanDerWaalsContact C-N 3.3Å; G63-R65 PolarHBondContact O-N 2.97Å; G63-I66 PolarHBondContact O-N 3.38Å; G63-I66 VanDerWaalsContact O-N 3.13Å; G63-I67 VanDerWaalsContact O-CG1 3.23Å; G63-I67 WeakPolarHBondContact O-CG1 3.28Å; G63-I67 PolarHBondContact O-N 3.09Å
64	D	87.8	Confident	86.9	Confident	93 Å²	93	58.5 Å²	58.5	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-61.2	-36.8	179.9	-66.5	-34	0	0	0	112.8	L62 I67 N68	L62-D64 PolarHBondContact O-N 2.97Å; D64-I67 PolarHBondContact O-N 2.89Å; D64-N68 WeakPolarHBondContact O-CB 3.05Å; D64-N68 PolarHBondContact O-N 3.38Å; D64-N68 PolarHBondContact O-ND2 3.17Å; D64-N68 PolarHBondContact O-OD1 3.31Å
65	R	87.7	Confident	86.7	Confident	13 Å²	13	61.4 Å²	61.4	5%	0.049	36%	0.358	C	S	.	.	H	α-helix	trans	-67.3	-41.6	176.2	-69.4	-178.8	176.9	-114.8	5.1	111.3	L62 G63 I67 N68 A69 L121 Y122 L124 V138	L62-R65 PolarHBondContact O-N 2.86Å; L62-R65 VanDerWaalsContact O-N 3.09Å; G63-R65 VanDerWaalsContact C-N 3.3Å; G63-R65 PolarHBondContact O-N 2.97Å; R65-I67 VanDerWaalsContact C-N 3.35Å; R65-N68 PolarHBondContact O-N 2.83Å; R65-A69 PolarHBondContact O-N 3.09Å; R65-L121 HydrophobicContact CB-CD2 4.24Å; R65-L121 VanDerWaalsContact CD-O 3.32Å; R65-L121 WeakPolarHBondContact CD-O 3.42Å; R65-L121 PolarHBondContact NH1-O 2.73Å; R65-L121 WeakPolarHBondContact O-CD2 3.29Å; R65-Y122 PolarHBondContact NH1-O 3.32Å; R65-L124 HydrophobicContact CG-CD2 4.38Å; R65-V138 VanDerWaalsContact NH2-CG2 3.33Å
66	I	88	Confident	86.6	Confident	35 Å²	35	62.3 Å²	62.3	18%	0.179	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-42.8	175.2	-66	165.1	0	0	0	110.2	L57 L62 G63 A69 F70	L57-I66 HydrophobicContact CD2-CB 4.5Å; L57-I66 HydrophobicContact CD2-CD1 4.44Å; L57-I66 HydrophobicContact CD2-CG2 4.1Å; L62-I66 HydrophobicContact CB-CD1 4.28Å; L62-I66 WeakPolarHBondContact O-CG1 3.28Å; L62-I66 PolarHBondContact O-N 3.07Å; G63-I66 PolarHBondContact O-N 3.38Å; G63-I66 VanDerWaalsContact O-N 3.13Å; I66-A69 WeakPolarHBondContact O-CB 3.34Å; I66-A69 PolarHBondContact O-N 2.9Å; I66-F70 HydrophobicContact CG2-CE2 4.19Å; I66-F70 VanDerWaalsContact O-CD2 3.29Å; I66-F70 WeakPolarHBondContact O-CD2 3.34Å
67	I	90.2	Very high	86.8	Confident	6 Å²	6	60.3 Å²	60.3	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-49	176.4	-69.3	173.6	0	0	0	109.5	R48 F51 Q52 L57 G63 D64 R65 A69 F70 F71	R48-I67 HydrophobicContact CB-CG2 4.43Å; R48-I67 HydrophobicContact CG-CG2 4.4Å; F51-I67 HydrophobicContact CB-CD1 3.76Å; F51-I67 HydrophobicContact CB-CG1 3.71Å; F51-I67 HydrophobicContact CB-CG2 4.06Å; F51-I67 HydrophobicContact CG-CG1 4.29Å; F51-I67 HydrophobicContact CG-CG2 4.39Å; Q52-I67 HydrophobicContact CG-CD1 4.21Å; L57-I67 HydrophobicContact CD1-CG1 4.2Å; G63-I67 VanDerWaalsContact O-CG1 3.23Å; G63-I67 WeakPolarHBondContact O-CG1 3.28Å; G63-I67 PolarHBondContact O-N 3.09Å; D64-I67 PolarHBondContact O-N 2.89Å; R65-I67 VanDerWaalsContact C-N 3.35Å; I67-A69 PolarHBondContact O-N 3.39Å; I67-A69 VanDerWaalsContact O-N 3.14Å; I67-F70 WeakPolarHBondContact O-CB 3.49Å; I67-F70 PolarHBondContact O-N 2.97Å; I67-F71 HydrophobicContact CG2-CD2 4.34Å; I67-F71 HydrophobicContact CG2-CE2 3.66Å; I67-F71 WeakPolarHBondContact O-CD2 3.36Å; I67-F71 VanDerWaalsContact O-CE2 3.28Å; I67-F71 WeakPolarHBondContact O-CE2 3.4Å
68	N	87.6	Confident	87	Confident	59 Å²	59	59 Å²	59	32%	0.316	34%	0.342	S	S	.	.	H	α-helix	trans	-55.1	-33.4	177.2	-70.5	-17.6	0	0	0	113.1	R48 D64 R65 F70 F71	R48-N68 PolarHBondContact NH1-OD1 3.13Å; D64-N68 WeakPolarHBondContact O-CB 3.05Å; D64-N68 PolarHBondContact O-N 3.38Å; D64-N68 PolarHBondContact O-ND2 3.17Å; D64-N68 PolarHBondContact O-OD1 3.31Å; R65-N68 PolarHBondContact O-N 2.83Å; N68-F70 PolarHBondContact O-N 3.25Å; N68-F71 PolarHBondContact O-N 3.14Å
69	A	88.1	Confident	87.3	Confident	31 Å²	31	59.6 Å²	59.6	26%	0.256	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.1	179.1	0	0	0	0	0	114.2	R65 I66 I67 T86 F117 L121	R65-A69 PolarHBondContact O-N 3.09Å; I66-A69 WeakPolarHBondContact O-CB 3.34Å; I66-A69 PolarHBondContact O-N 2.9Å; I67-A69 PolarHBondContact O-N 3.39Å; I67-A69 VanDerWaalsContact O-N 3.14Å; A69-T86 PolarHBondContact O-OG1 2.89Å; A69-F117 HydrophobicContact CB-CE1 4.49Å; A69-F117 HydrophobicContact CB-CE2 3.61Å; A69-F117 HydrophobicContact CB-CZ 3.5Å; A69-L121 HydrophobicContact CB-CD2 3.94Å
70	F	89.7	Confident	87.5	Confident	12 Å²	12	53.7 Å²	53.7	5%	0.053	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.5	170	-76.1	-90.7	0	0	0	113.2	F51 I66 I67 N68 V78 F83 T86 L87	F51-F70 HydrophobicContact CD1-CD2 4.45Å; F51-F70 HydrophobicContact CE1-CB 4.49Å; F51-F70 AromaticContact CE1-CD1 3.97Å; F51-F70 HydrophobicContact CE1-CD1 3.97Å; F51-F70 AromaticContact CE1-CD2 3.73Å; F51-F70 HydrophobicContact CE1-CD2 3.73Å; F51-F70 HydrophobicContact CE1-CE1 4.07Å; F51-F70 AromaticContact CE1-CE2 3.86Å; F51-F70 HydrophobicContact CE1-CE2 3.86Å; F51-F70 AromaticContact CE1-CG 3.79Å; F51-F70 HydrophobicContact CE1-CG 3.79Å; F51-F70 HydrophobicContact CE1-CZ 4.02Å; F51-F70 HydrophobicContact CE2-CB 4.21Å; F51-F70 HydrophobicContact CE2-CG 4.35Å; F51-F70 HydrophobicContact CZ-CB 3.85Å; F51-F70 AromaticContact CZ-CD1 3.63Å; F51-F70 HydrophobicContact CZ-CD1 3.63Å; F51-F70 AromaticContact CZ-CD2 3.94Å; F51-F70 HydrophobicContact CZ-CD2 3.94Å; F51-F70 HydrophobicContact CZ-CE1 4.14Å; F51-F70 HydrophobicContact CZ-CE2 4.43Å; F51-F70 AromaticContact CZ-CG 3.52Å; F51-F70 HydrophobicContact CZ-CG 3.52Å; I66-F70 HydrophobicContact CG2-CE2 4.19Å; I66-F70 VanDerWaalsContact O-CD2 3.29Å; I66-F70 WeakPolarHBondContact O-CD2 3.34Å; I67-F70 WeakPolarHBondContact O-CB 3.49Å; I67-F70 PolarHBondContact O-N 2.97Å; N68-F70 PolarHBondContact O-N 3.25Å; F70-V78 HydrophobicContact CB-CG1 4.28Å; F70-V78 WeakPolarHBondContact O-CB 3.26Å; F70-V78 VanDerWaalsContact O-CG2 3.26Å; F70-V78 WeakPolarHBondContact O-CG2 3.44Å; F70-F83 AromaticContact CD1-CD2 3.79Å; F70-F83 HydrophobicContact CD1-CD2 3.79Å; F70-F83 HydrophobicContact CD1-CE2 4.43Å; F70-F83 AromaticContact CE1-CD2 3.45Å; F70-F83 HydrophobicContact CE1-CD2 3.45Å; F70-F83 VanDerWaalsContact CE1-CD2 3.45Å; F70-F83 AromaticContact CE1-CE2 3.76Å; F70-F83 HydrophobicContact CE1-CE2 3.76Å; F70-F83 HydrophobicContact CE1-CG 4.24Å; F70-F83 HydrophobicContact CZ-CD2 4.42Å; F70-F83 HydrophobicContact CZ-CE2 4.31Å; F70-T86 HydrophobicContact CD1-CG2 3.65Å; F70-T86 HydrophobicContact CD2-CG2 3.96Å; F70-T86 HydrophobicContact CE1-CG2 3.55Å; F70-T86 HydrophobicContact CE2-CG2 3.85Å; F70-T86 HydrophobicContact CG-CG2 3.86Å; F70-T86 HydrophobicContact CZ-CG2 3.65Å; F70-L87 HydrophobicContact CE1-CD2 4.42Å; F70-L87 HydrophobicContact CE1-CG 4.33Å; F70-L87 HydrophobicContact CZ-CD2 4.04Å; F70-L87 HydrophobicContact CZ-CG 4.44Å
71	F	89.7	Confident	87.7	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.018	30%	0.302	C	S	.	.	S	Bend	trans	-111.5	114.4	-172.9	-60.1	-78.6	0	0	0	111.3	L46 R48 F51 I67 N68 E75 D76 V78 R126	L46-F71 WeakPolarHBondContact O-CE1 3.23Å; R48-F71 HydrophobicContact CG-CD2 4.2Å; R48-F71 HydrophobicContact CG-CE1 4.48Å; R48-F71 HydrophobicContact CG-CE2 3.76Å; R48-F71 HydrophobicContact CG-CZ 3.91Å; F51-F71 HydrophobicContact CD2-CE2 4.08Å; F51-F71 AromaticContact CD2-CZ 3.8Å; F51-F71 HydrophobicContact CD2-CZ 3.8Å; F51-F71 HydrophobicContact CE2-CE2 4.11Å; F51-F71 AromaticContact CE2-CZ 3.72Å; F51-F71 HydrophobicContact CE2-CZ 3.72Å; I67-F71 HydrophobicContact CG2-CD2 4.34Å; I67-F71 HydrophobicContact CG2-CE2 3.66Å; I67-F71 WeakPolarHBondContact O-CD2 3.36Å; I67-F71 VanDerWaalsContact O-CE2 3.28Å; I67-F71 WeakPolarHBondContact O-CE2 3.4Å; N68-F71 PolarHBondContact O-N 3.14Å; F71-E75 WeakPolarHBondContact CB-O 3.29Å; F71-D76 WeakPolarHBondContact CE1-O 3.45Å; F71-V78 HydrophobicContact CD1-CB 4.34Å; F71-V78 HydrophobicContact CE1-CB 4.19Å; F71-V78 HydrophobicContact CE1-CG1 4.09Å; F71-V78 HydrophobicContact CZ-CG1 4.34Å; F71-R126 PolarHBondContact O-NH2 3.33Å
72	P	78.4	Confident	87.9	Confident	63 Å²	63	50.9 Å²	50.9	41%	0.409	29%	0.286	S	S	.	.			trans	-56.8	166	167.7	-22.7	33.8	0	0	0	112.4	G74 E75	P72-G74 PolarHBondContact O-N 3.46Å; P72-E75 HydrophobicContact CB-CB 4.41Å; P72-E75 HydrophobicContact CB-CG 4.24Å; P72-E75 PolarHBondContact O-N 3.34Å; P72-E75 VanDerWaalsContact O-N 3.12Å
73	E	77.6	Confident	88.1	Confident	159 Å²	159	49.5 Å²	49.5	74%	0.743	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	128.1	-180	-155.2	176.8	157.5	0	0	112.3	E75 R126	E73-E75 PolarHBondContact O-N 3.32Å; E73-R126 VanDerWaalsContact N-NH1 3.19Å
74	G	79.1	Confident	88.3	Confident	84 Å²	84	49.5 Å²	49.5	87%	0.866	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	4.2	-179.5	0	0	0	0	0	114.9	P72	P72-G74 PolarHBondContact O-N 3.46Å
75	E	86.6	Confident	88.5	Confident	97 Å²	97	49.8 Å²	49.8	45%	0.453	27%	0.272	S	S	.	.			trans	-100.8	134.5	174.2	-66.6	-175.2	-150.8	0	0	110.8	F71 P72 E73	F71-E75 WeakPolarHBondContact CB-O 3.29Å; P72-E75 HydrophobicContact CB-CB 4.41Å; P72-E75 HydrophobicContact CB-CG 4.24Å; P72-E75 PolarHBondContact O-N 3.34Å; P72-E75 VanDerWaalsContact O-N 3.12Å; E73-E75 PolarHBondContact O-N 3.32Å
76	D	87.8	Confident	88.6	Confident	105 Å²	105	49.8 Å²	49.8	56%	0.561	27%	0.274	S	S	*	.	S	Bend	trans	-108.3	4.4	173.1	-74.7	-43.8	0	0	0	112.7	R48 F71	R48-D76 IonicContact CZ-OD1 2.62Å; R48-D76 IonicContact NE-OD1 3.5Å; R48-D76 PolarHBondContact NE-OD1 3.1Å; R48-D76 VanDerWaalsContact NE-OD1 3.1Å; R48-D76 IonicContact NH2-OD1 2.87Å; F71-D76 WeakPolarHBondContact CE1-O 3.45Å
77	Q	91	Very high	88.8	Confident	90 Å²	90	49.2 Å²	49.2	42%	0.421	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.7	-179.2	-69.4	-168.2	-4.3	0	0	110.7	T45 L46	T45-Q77 VanDerWaalsContact OG1-CD 3.3Å; T45-Q77 PolarHBondContact OG1-OE1 2.97Å; L46-Q77 CarbonylContact O-C 3.58Å; L46-Q77 VanDerWaalsContact O-CA 3.29Å; L46-Q77 WeakPolarHBondContact O-CA 3.42Å
78	V	94	Very high	88.8	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.3	176	65	0	0	0	0	110.2	T45 L46 F51 F70 F71	T45-V78 CarbonylContact C-O 3.53Å; T45-V78 VanDerWaalsContact CA-O 3.3Å; T45-V78 WeakPolarHBondContact CA-O 3.3Å; L46-V78 HydrophobicContact CB-CG1 3.89Å; L46-V78 PolarHBondContact N-O 2.9Å; L46-V78 PolarHBondContact O-N 2.82Å; F51-V78 HydrophobicContact CE2-CG1 3.74Å; F51-V78 HydrophobicContact CZ-CG1 4Å; F70-V78 HydrophobicContact CB-CG1 4.28Å; F70-V78 WeakPolarHBondContact O-CB 3.26Å; F70-V78 VanDerWaalsContact O-CG2 3.26Å; F70-V78 WeakPolarHBondContact O-CG2 3.44Å; F71-V78 HydrophobicContact CD1-CB 4.34Å; F71-V78 HydrophobicContact CE1-CB 4.19Å; F71-V78 HydrophobicContact CE1-CG1 4.09Å; F71-V78 HydrophobicContact CZ-CG1 4.34Å
79	N	92.4	Very high	88.9	Confident	80 Å²	80	47.5 Å²	47.5	43%	0.428	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	171.8	174	65.8	35	0	0	0	111.6	T45 K81 G82 F83	T45-N79 HydrophobicContact CG2-CB 4.28Å; N79-K81 PolarHBondContact O-N 3.02Å; N79-K81 WeakPolarHBondContact OD1-CB 3.46Å; N79-K81 PolarHBondContact OD1-N 3.17Å; N79-K81 VanDerWaalsContact OD1-N 3.11Å; N79-G82 PolarHBondContact O-N 3Å; N79-G82 VanDerWaalsContact O-N 3.16Å; N79-G82 PolarHBondContact OD1-N 3.11Å; N79-F83 PolarHBondContact O-N 3.46Å
80	F	92	Very high	89	Confident	16 Å²	16	47.7 Å²	47.7	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-35.7	-178.6	-177	-116.7	0	0	0	113.5	L9 I17 I28 Y32 F35 F83 M84	L9-F80 HydrophobicContact CD1-CD1 4.18Å; L9-F80 HydrophobicContact CD1-CE1 3.52Å; L9-F80 HydrophobicContact CD1-CZ 4.02Å; L9-F80 HydrophobicContact CD2-CD1 3.85Å; L9-F80 HydrophobicContact CD2-CE1 3.87Å; L9-F80 HydrophobicContact CG-CE1 4.29Å; I17-F80 HydrophobicContact CD1-CD1 3.69Å; I17-F80 HydrophobicContact CD1-CE1 3.55Å; I28-F80 HydrophobicContact CG2-CE1 4.04Å; I28-F80 HydrophobicContact CG2-CZ 4.07Å; Y32-F80 VanDerWaalsContact CA-CE2 3.43Å; Y32-F80 HydrophobicContact CD2-CB 4.48Å; Y32-F80 AromaticContact CD2-CD1 3.78Å; Y32-F80 HydrophobicContact CD2-CD1 3.78Å; Y32-F80 AromaticContact CD2-CD2 3.73Å; Y32-F80 HydrophobicContact CD2-CD2 3.73Å; Y32-F80 AromaticContact CD2-CE1 3.85Å; Y32-F80 HydrophobicContact CD2-CE1 3.85Å; Y32-F80 AromaticContact CD2-CE2 3.81Å; Y32-F80 HydrophobicContact CD2-CE2 3.81Å; Y32-F80 AromaticContact CD2-CG 3.71Å; Y32-F80 HydrophobicContact CD2-CG 3.71Å; Y32-F80 AromaticContact CD2-CZ 3.85Å; Y32-F80 HydrophobicContact CD2-CZ 3.85Å; Y32-F80 HydrophobicContact CE2-CD1 4.31Å; Y32-F80 HydrophobicContact CE2-CG 4.2Å; Y32-F80 HydrophobicContact CG-CE1 4.46Å; Y32-F80 HydrophobicContact CG-CE2 4.33Å; Y32-F80 HydrophobicContact CG-CZ 4.22Å; F35-F80 HydrophobicContact CB-CD2 3.83Å; F35-F80 HydrophobicContact CB-CE2 4.16Å; F35-F80 HydrophobicContact CD1-CB 4.34Å; F35-F80 HydrophobicContact CD1-CD2 4.19Å; F35-F80 HydrophobicContact CD2-CB 4.44Å; F35-F80 AromaticContact CD2-CD2 3.88Å; F35-F80 HydrophobicContact CD2-CD2 3.88Å; F35-F80 HydrophobicContact CE1-CB 4.18Å; F35-F80 HydrophobicContact CE2-CB 4.26Å; F35-F80 HydrophobicContact CE2-CD2 4.49Å; F35-F80 HydrophobicContact CG-CB 4.48Å; F35-F80 AromaticContact CG-CD2 3.71Å; F35-F80 HydrophobicContact CG-CD2 3.71Å; F35-F80 HydrophobicContact CZ-CB 4.14Å; F80-F83 HydrophobicContact CD2-CD1 4.32Å; F80-F83 HydrophobicContact CE2-CD1 4.33Å; F80-F83 PolarHBondContact O-N 3.46Å; F80-M84 HydrophobicContact CD1-CG 4.24Å; F80-M84 HydrophobicContact CD2-CG 4.12Å; F80-M84 HydrophobicContact CE1-CG 3.79Å; F80-M84 HydrophobicContact CE1-SD 4.39Å; F80-M84 HydrophobicContact CE2-CG 3.66Å; F80-M84 HydrophobicContact CE2-SD 3.7Å; F80-M84 HydrophobicContact CG-CG 4.4Å; F80-M84 HydrophobicContact CZ-CG 3.49Å; F80-M84 VanDerWaalsContact CZ-CG 3.49Å; F80-M84 HydrophobicContact CZ-SD 3.56Å; F80-M84 VanDerWaalsContact CZ-SD 3.56Å; F80-M84 WeakPolarHBondContact O-CB 3.43Å; F80-M84 WeakPolarHBondContact O-CG 3.48Å; F80-M84 PolarHBondContact O-N 2.96Å
81	K	91.2	Very high	89	Confident	60 Å²	60	48 Å²	48	26%	0.261	26%	0.257	S	S	.	.	H	α-helix	trans	-65.5	-45.4	178	-169.1	175.2	-173.9	173.6	0	111.4	E16 E20 N79 M84 R85	E16-K81 IonicContact OE1-NZ 2.89Å; E16-K81 PolarHBondContact OE1-NZ 3.16Å; E20-K81 WeakPolarHBondContact OE2-CE 3.46Å; E20-K81 IonicContact OE2-NZ 2.79Å; N79-K81 PolarHBondContact O-N 3.02Å; N79-K81 WeakPolarHBondContact OD1-CB 3.46Å; N79-K81 PolarHBondContact OD1-N 3.17Å; N79-K81 VanDerWaalsContact OD1-N 3.11Å; K81-M84 PolarHBondContact O-N 3.4Å; K81-R85 WeakPolarHBondContact O-CG 3.27Å; K81-R85 PolarHBondContact O-N 2.87Å
82	G	91.3	Very high	88.8	Confident	15 Å²	15	50.2 Å²	50.2	16%	0.155	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-45.2	174.9	0	0	0	0	0	112	N79 M84 R85 T86	N79-G82 PolarHBondContact O-N 3Å; N79-G82 VanDerWaalsContact O-N 3.16Å; N79-G82 PolarHBondContact OD1-N 3.11Å; G82-M84 VanDerWaalsContact C-N 3.3Å; G82-M84 PolarHBondContact O-N 3.09Å; G82-R85 PolarHBondContact O-N 3.2Å; G82-R85 VanDerWaalsContact O-N 3.17Å; G82-T86 PolarHBondContact O-N 3.3Å; G82-T86 PolarHBondContact O-OG1 3.45Å
83	F	92.2	Very high	88.7	Confident	14 Å²	14	49 Å²	49	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-45.5	175.4	179.7	-99	0	0	0	112.1	F35 L46 F51 F70 N79 F80 T86 L87	F35-F83 HydrophobicContact CD2-CB 3.93Å; F35-F83 AromaticContact CD2-CD1 3.99Å; F35-F83 HydrophobicContact CD2-CD1 3.99Å; F35-F83 HydrophobicContact CD2-CD2 4.24Å; F35-F83 AromaticContact CD2-CG 3.8Å; F35-F83 HydrophobicContact CD2-CG 3.8Å; F35-F83 HydrophobicContact CE2-CB 3.98Å; F35-F83 HydrophobicContact CE2-CG 4.31Å; L46-F83 HydrophobicContact CD1-CD2 4.08Å; L46-F83 HydrophobicContact CD1-CE2 4.26Å; F51-F83 HydrophobicContact CE1-CD2 4.27Å; F51-F83 HydrophobicContact CE1-CE2 4.02Å; F51-F83 AromaticContact CZ-CD2 3.96Å; F51-F83 HydrophobicContact CZ-CD2 3.96Å; F51-F83 HydrophobicContact CZ-CE2 4.15Å; F70-F83 AromaticContact CD1-CD2 3.79Å; F70-F83 HydrophobicContact CD1-CD2 3.79Å; F70-F83 HydrophobicContact CD1-CE2 4.43Å; F70-F83 AromaticContact CE1-CD2 3.45Å; F70-F83 HydrophobicContact CE1-CD2 3.45Å; F70-F83 VanDerWaalsContact CE1-CD2 3.45Å; F70-F83 AromaticContact CE1-CE2 3.76Å; F70-F83 HydrophobicContact CE1-CE2 3.76Å; F70-F83 HydrophobicContact CE1-CG 4.24Å; F70-F83 HydrophobicContact CZ-CD2 4.42Å; F70-F83 HydrophobicContact CZ-CE2 4.31Å; N79-F83 PolarHBondContact O-N 3.46Å; F80-F83 HydrophobicContact CD2-CD1 4.32Å; F80-F83 HydrophobicContact CE2-CD1 4.33Å; F80-F83 PolarHBondContact O-N 3.46Å; F83-T86 PolarHBondContact O-N 3.03Å; F83-L87 HydrophobicContact CD1-CD1 3.92Å; F83-L87 HydrophobicContact CE1-CD1 3.34Å; F83-L87 HydrophobicContact CE1-CG 4.35Å; F83-L87 HydrophobicContact CE2-CD1 4.37Å; F83-L87 HydrophobicContact CZ-CD1 3.61Å; F83-L87 HydrophobicContact CZ-CG 4.41Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; F83-L87 PolarHBondContact O-N 3.47Å; F83-L87 VanDerWaalsContact O-N 3.1Å
84	M	92.4	Very high	88.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-38.4	178.3	-70.7	-62.5	-60.4	0	0	112.8	I17 T21 F23 I28 L31 F80 K81 G82 L87 A88	I17-M84 HydrophobicContact CG2-CE 4.18Å; T21-M84 HydrophobicContact CG2-CB 4.16Å; F23-M84 HydrophobicContact CB-CE 4.11Å; F23-M84 HydrophobicContact CD2-CE 3.3Å; F23-M84 HydrophobicContact CE2-CE 3.87Å; F23-M84 HydrophobicContact CG-CE 3.86Å; I28-M84 HydrophobicContact CB-CE 4.44Å; I28-M84 HydrophobicContact CG1-CE 3.82Å; L31-M84 HydrophobicContact CB-SD 3.71Å; L31-M84 HydrophobicContact CD1-CE 3.74Å; L31-M84 HydrophobicContact CD1-SD 3.63Å; L31-M84 HydrophobicContact CG-SD 4.3Å; F80-M84 HydrophobicContact CD1-CG 4.24Å; F80-M84 HydrophobicContact CD2-CG 4.12Å; F80-M84 HydrophobicContact CE1-CG 3.79Å; F80-M84 HydrophobicContact CE1-SD 4.39Å; F80-M84 HydrophobicContact CE2-CG 3.66Å; F80-M84 HydrophobicContact CE2-SD 3.7Å; F80-M84 HydrophobicContact CG-CG 4.4Å; F80-M84 HydrophobicContact CZ-CG 3.49Å; F80-M84 VanDerWaalsContact CZ-CG 3.49Å; F80-M84 HydrophobicContact CZ-SD 3.56Å; F80-M84 VanDerWaalsContact CZ-SD 3.56Å; F80-M84 WeakPolarHBondContact O-CB 3.43Å; F80-M84 WeakPolarHBondContact O-CG 3.48Å; F80-M84 PolarHBondContact O-N 2.96Å; K81-M84 PolarHBondContact O-N 3.4Å; G82-M84 VanDerWaalsContact C-N 3.3Å; G82-M84 PolarHBondContact O-N 3.09Å; M84-L87 PolarHBondContact O-N 3.44Å; M84-A88 WeakPolarHBondContact O-CB 3.43Å; M84-A88 PolarHBondContact O-N 2.82Å
85	R	91	Very high	87.6	Confident	99 Å²	99	48.9 Å²	48.9	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-62.1	-46.3	174.7	-73.6	-174.1	-141.5	146	12.1	111.8	E20 K81 G82 L87 A88 L108	E20-R85 WeakPolarHBondContact OE1-CD 3.49Å; E20-R85 IonicContact OE1-CZ 3.03Å; E20-R85 IonicContact OE1-NE 2.84Å; E20-R85 PolarHBondContact OE1-NE 2.95Å; E20-R85 IonicContact OE2-NE 3.29Å; K81-R85 WeakPolarHBondContact O-CG 3.27Å; K81-R85 PolarHBondContact O-N 2.87Å; G82-R85 PolarHBondContact O-N 3.2Å; G82-R85 VanDerWaalsContact O-N 3.17Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.26Å; R85-A88 VanDerWaalsContact O-CB 3.27Å; R85-A88 WeakPolarHBondContact O-CB 3.34Å; R85-A88 PolarHBondContact O-N 2.71Å; R85-A88 VanDerWaalsContact O-N 3.09Å; R85-L108 HydrophobicContact CB-CD1 4.27Å; R85-L108 HydrophobicContact CG-CD1 4.18Å
86	T	91.3	Very high	86.2	Confident	14 Å²	14	49.6 Å²	49.6	9%	0.086	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-42.6	178.1	-60.6	0	0	0	0	111.2	A69 F70 G82 F83 A88 H89 F117	A69-T86 PolarHBondContact O-OG1 2.89Å; F70-T86 HydrophobicContact CD1-CG2 3.65Å; F70-T86 HydrophobicContact CD2-CG2 3.96Å; F70-T86 HydrophobicContact CE1-CG2 3.55Å; F70-T86 HydrophobicContact CE2-CG2 3.85Å; F70-T86 HydrophobicContact CG-CG2 3.86Å; F70-T86 HydrophobicContact CZ-CG2 3.65Å; G82-T86 PolarHBondContact O-N 3.3Å; G82-T86 PolarHBondContact O-OG1 3.45Å; F83-T86 PolarHBondContact O-N 3.03Å; T86-A88 VanDerWaalsContact C-N 3.29Å; T86-A88 PolarHBondContact O-N 3.41Å; T86-H89 PolarHBondContact O-CD2 3.41Å; T86-H89 PolarHBondContact O-N 3.08Å; T86-F117 HydrophobicContact CG2-CE2 3.87Å; T86-F117 HydrophobicContact CG2-CZ 4.19Å
87	L	90.8	Very high	84.8	Confident	22 Å²	22	48.2 Å²	48.2	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-68.3	-26.5	175.9	-70	-177.5	0	0	0	113.8	F23 L31 F70 F83 M84 R85 H89 F90	F23-L87 HydrophobicContact CE2-CB 4.2Å; F23-L87 HydrophobicContact CZ-CB 4.08Å; L31-L87 HydrophobicContact CD1-CD1 4.08Å; L31-L87 HydrophobicContact CD2-CD1 3.72Å; L31-L87 HydrophobicContact CG-CD1 4.45Å; F70-L87 HydrophobicContact CE1-CD2 4.42Å; F70-L87 HydrophobicContact CE1-CG 4.33Å; F70-L87 HydrophobicContact CZ-CD2 4.04Å; F70-L87 HydrophobicContact CZ-CG 4.44Å; F83-L87 HydrophobicContact CD1-CD1 3.92Å; F83-L87 HydrophobicContact CE1-CD1 3.34Å; F83-L87 HydrophobicContact CE1-CG 4.35Å; F83-L87 HydrophobicContact CE2-CD1 4.37Å; F83-L87 HydrophobicContact CZ-CD1 3.61Å; F83-L87 HydrophobicContact CZ-CG 4.41Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; F83-L87 PolarHBondContact O-N 3.47Å; F83-L87 VanDerWaalsContact O-N 3.1Å; M84-L87 PolarHBondContact O-N 3.44Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.26Å; L87-H89 PolarHBondContact O-N 3.17Å; L87-F90 PolarHBondContact O-N 2.83Å
88	A	90.9	Very high	83.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-31.4	179.9	0	0	0	0	0	112.2	T21 F23 M84 R85 T86 F90 R91 L108	T21-A88 HydrophobicContact CG2-CB 4.06Å; F23-A88 HydrophobicContact CE2-CB 4.07Å; M84-A88 WeakPolarHBondContact O-CB 3.43Å; M84-A88 PolarHBondContact O-N 2.82Å; R85-A88 VanDerWaalsContact O-CB 3.27Å; R85-A88 WeakPolarHBondContact O-CB 3.34Å; R85-A88 PolarHBondContact O-N 2.71Å; R85-A88 VanDerWaalsContact O-N 3.09Å; T86-A88 VanDerWaalsContact C-N 3.29Å; T86-A88 PolarHBondContact O-N 3.41Å; A88-F90 PolarHBondContact O-N 2.88Å; A88-F90 VanDerWaalsContact O-N 3.17Å; A88-R91 WeakPolarHBondContact O-CB 3.39Å; A88-R91 PolarHBondContact O-N 2.57Å; A88-R91 VanDerWaalsContact O-N 3.08Å; A88-L108 HydrophobicContact CB-CB 3.93Å; A88-L108 HydrophobicContact CB-CD1 3.76Å
89	H	90.1	Very high	81	Confident	29 Å²	29	56.7 Å²	56.7	13%	0.134	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.3	173.9	-65	-58.9	0	0	0	112.8	T86 L87 L108 K114 F117	T86-H89 PolarHBondContact O-CD2 3.41Å; T86-H89 PolarHBondContact O-N 3.08Å; L87-H89 PolarHBondContact O-N 3.17Å; H89-L108 PolarHBondContact ND1-O 2.7Å; H89-K114 WeakPolarHBondContact O-CE 3.43Å; H89-K114 WeakPolarHBondContact O-CG 3.42Å; H89-K114 PolarHBondContact O-NZ 3.24Å; H89-F117 HydrophobicContact CB-CD2 4.36Å; H89-F117 HydrophobicContact CB-CG 4.31Å; H89-F117 AromaticContact CD2-CD2 3.45Å; H89-F117 VanDerWaalsContact CD2-CD2 3.45Å; H89-F117 WeakPolarHBondContact CD2-CD2 3.32Å; H89-F117 AromaticContact CG-CD2 3.98Å
90	F	89.3	Confident	79.3	Confident	35 Å²	35	60.1 Å²	60.1	15%	0.154	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.5	-179.6	-58.6	-75.2	0	0	0	114.1	L87 A88 F117 M189 S190 I191	L87-F90 PolarHBondContact O-N 2.83Å; A88-F90 PolarHBondContact O-N 2.88Å; A88-F90 VanDerWaalsContact O-N 3.17Å; F90-F117 HydrophobicContact CE1-CE1 4.14Å; F90-F117 AromaticContact CE2-CE1 3.93Å; F90-F117 HydrophobicContact CE2-CE1 3.93Å; F90-F117 AromaticContact CE2-CZ 3.93Å; F90-F117 HydrophobicContact CE2-CZ 3.93Å; F90-F117 HydrophobicContact CZ-CD1 4.04Å; F90-F117 AromaticContact CZ-CE1 3.32Å; F90-F117 HydrophobicContact CZ-CE1 3.32Å; F90-F117 AromaticContact CZ-CZ 3.78Å; F90-F117 HydrophobicContact CZ-CZ 3.78Å; F90-M189 WeakPolarHBondContact CA-O 3.45Å; F90-M189 HydrophobicContact CE1-CE 4.27Å; F90-S190 CarbonylContact O-C 3.52Å; F90-S190 VanDerWaalsContact O-CA 3.29Å; F90-S190 WeakPolarHBondContact O-CA 3.44Å; F90-I191 HydrophobicContact CB-CB 4.4Å; F90-I191 HydrophobicContact CB-CD1 3.92Å; F90-I191 HydrophobicContact CB-CG1 4.04Å; F90-I191 HydrophobicContact CD1-CD1 4.39Å; F90-I191 HydrophobicContact CG-CD1 4.09Å; F90-I191 PolarHBondContact O-N 2.82Å
91	R	89.1	Confident	77.5	Confident	20 Å²	20	66.6 Å²	66.6	8%	0.075	33%	0.328	C	S	.	.	S	Bend	trans	-65	140.4	173	-73.2	175.7	62	-116.7	-10	110.1	T21 G22 F23 A88 N109 K114	T21-R91 WeakPolarHBondContact O-CD 3.33Å; T21-R91 VanDerWaalsContact O-CZ 3.29Å; T21-R91 PolarHBondContact O-NE 2.78Å; T21-R91 PolarHBondContact O-NH1 3.2Å; G22-R91 PolarHBondContact O-NE 3.28Å; G22-R91 PolarHBondContact O-NH2 3.01Å; F23-R91 HydrophobicContact CD1-CG 4.06Å; F23-R91 HydrophobicContact CE1-CG 3.42Å; F23-R91 VanDerWaalsContact CE1-CG 3.42Å; F23-R91 HydrophobicContact CE2-CG 4.13Å; F23-R91 HydrophobicContact CZ-CG 3.46Å; F23-R91 VanDerWaalsContact CZ-CG 3.46Å; A88-R91 WeakPolarHBondContact O-CB 3.39Å; A88-R91 PolarHBondContact O-N 2.57Å; A88-R91 VanDerWaalsContact O-N 3.08Å; R91-N109 HydrophobicContact CB-CB 4.13Å; R91-K114 PolarHBondContact O-NZ 3.12Å
92	P	85.5	Confident	75.9	Confident	50 Å²	50	69.3 Å²	69.3	33%	0.325	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-56.4	145.3	165.7	-19.3	30.9	0	0	0	110	N109	P92-N109 PolarHBondContact O-ND2 3.3Å
93	I	78.3	Confident	74.5	Confident	38 Å²	38	72.6 Å²	72.6	20%	0.195	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-79	122.4	167.4	-57.9	-175.4	0	0	0	106.5	K98 N109 E186	I93-K98 HydrophobicContact CG2-CG 4.48Å; I93-N109 VanDerWaalsContact CD1-O 3.32Å; I93-N109 WeakPolarHBondContact CD1-O 3.33Å; I93-N109 WeakPolarHBondContact CG1-O 3.42Å; I93-E186 HydrophobicContact CD1-CB 3.71Å; I93-E186 HydrophobicContact CD1-CG 3.55Å; I93-E186 HydrophobicContact CG1-CB 4.35Å
94	E	72.4	Confident	73	Confident	111 Å²	111	77.2 Å²	77.2	52%	0.519	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-79.7	137.3	174.8	-64.7	-176.5	-177.6	0	0	109.4	N96 E97	E94-N96 PolarHBondContact O-N 3.02Å; E94-E97 HydrophobicContact CB-CG 4.39Å; E94-E97 WeakPolarHBondContact O-CB 3.09Å; E94-E97 PolarHBondContact O-N 3.47Å
95	D	60.5	Low	71.9	Confident	129 Å²	129	82.6 Å²	82.6	69%	0.69	45%	0.445	S	S	*	.	H	α-helix	trans	-58.3	-25.6	-179.9	-69.3	-40.3	0	0	0	112.9	E97 K98	D95-E97 VanDerWaalsContact C-N 3.28Å; D95-E97 PolarHBondContact O-N 2.98Å; D95-K98 PolarHBondContact O-N 3.17Å
96	N	55.8	Low	71.3	Confident	111 Å²	111	82.8 Å²	82.8	59%	0.594	45%	0.45	S	S	*	.	H	α-helix	trans	-69.7	-19.4	174.4	-86.7	-29.1	0	0	0	114.1	E94 K100	E94-N96 PolarHBondContact O-N 3.02Å; N96-K100 WeakPolarHBondContact O-CG 3.29Å
97	E	58.4	Low	70.9	Confident	76 Å²	76	84.4 Å²	84.4	36%	0.355	46%	0.461	S	S	.	.	H	α-helix	trans	-79.8	-21.8	174.9	-67.1	-172	154.3	0	0	111.9	E94 D95 N99 N109	E94-E97 HydrophobicContact CB-CG 4.39Å; E94-E97 WeakPolarHBondContact O-CB 3.09Å; E94-E97 PolarHBondContact O-N 3.47Å; D95-E97 VanDerWaalsContact C-N 3.28Å; D95-E97 PolarHBondContact O-N 2.98Å; E97-N99 VanDerWaalsContact C-N 3.34Å; E97-N109 PolarHBondContact OE2-ND2 3.06Å
98	K	55.3	Low	70.7	Confident	122 Å²	122	85.3 Å²	85.3	53%	0.53	47%	0.465	S	S	.	.	H	α-helix	trans	-74.4	-23.6	175.3	-65.1	-174.9	176	-175.4	0	113.2	I93 D95 E186	I93-K98 HydrophobicContact CG2-CG 4.48Å; D95-K98 PolarHBondContact O-N 3.17Å; K98-E186 IonicContact NZ-OE2 3.24Å; K98-E186 PolarHBondContact NZ-OE2 3.39Å
99	N	51.6	Low	70.5	Confident	150 Å²	150	85.4 Å²	85.4	80%	0.802	47%	0.466	S	S	*	.	S	Bend	trans	-109.5	1.8	-172.9	-86.5	-22.7	0	0	0	114.9	E97	E97-N99 VanDerWaalsContact C-N 3.34Å
100	K	55.3	Low	70.5	Confident	151 Å²	151	84.7 Å²	84.7	66%	0.657	46%	0.464	S	S	*	.	S	Bend	trans	-95.3	154.8	174.6	-78.9	176.8	-178.9	175.5	0	110.5	N96	N96-K100 WeakPolarHBondContact O-CG 3.29Å
101	N	55.3	Low	70.4	Confident	152 Å²	152	85.9 Å²	85.9	81%	0.813	47%	0.467	S	S	*	.			trans	-43.9	130.8	171.4	-73.8	-12.6	0	0	0	109.3	P103	N101-P103 VanDerWaalsContact O-N 3.12Å
102	P	57.3	Low	70.5	Confident	118 Å²	118	87 Å²	87	77%	0.766	48%	0.476	S	S	*	.			trans	-54.3	124.6	-178.2	19.4	-30.1	0	0	0	108.3
103	P	60.7	Low	70.7	Confident	83 Å²	83	86.1 Å²	86.1	54%	0.539	47%	0.469	S	S	.	.			trans	-56.8	150	176	22.9	-31.5	0	0	0	109.2	N101 T105	N101-P103 VanDerWaalsContact O-N 3.12Å; P103-T105 WeakPolarHBondContact CB-O 3.18Å; P103-T105 WeakPolarHBondContact CG-O 3.39Å; P103-T105 PolarHBondContact O-N 3.25Å
104	A	62.4	Low	71.3	Confident	111 Å²	111	84.3 Å²	84.3	92%	0.917	46%	0.46	S	S	*	.	S	Bend	trans	-59.4	-14.1	178.9	0	0	0	0	0	113.3
105	T	69.3	Low	72.2	Confident	114 Å²	114	79.1 Å²	79.1	70%	0.699	44%	0.435	S	S	*	.	S	Bend	trans	-135	134.5	179.3	-8.6	0	0	0	0	108.4	P103	P103-T105 WeakPolarHBondContact CB-O 3.18Å; P103-T105 WeakPolarHBondContact CG-O 3.39Å; P103-T105 PolarHBondContact O-N 3.25Å
106	E	77	Confident	73.7	Confident	103 Å²	103	75 Å²	75	48%	0.481	41%	0.414	S	S	.	.			trans	-63.5	128.3	178.7	-169.4	176.3	-177.3	0	0	110	S110 T112	E106-S110 WeakPolarHBondContact CG-OG 3.22Å; E106-S110 VanDerWaalsContact OE1-CB 3.24Å; E106-S110 WeakPolarHBondContact OE1-CB 3.44Å; E106-S110 PolarHBondContact OE1-OG 3.31Å; E106-T112 WeakPolarHBondContact OE1-CB 3.45Å; E106-T112 PolarHBondContact OE1-OG1 2.63Å
107	P	83.4	Confident	75.3	Confident	48 Å²	48	70.4 Å²	70.4	31%	0.312	39%	0.388	S	S	.	.			trans	-71	151.6	-174.7	31.3	-36.6	0	0	0	111.3	N109 S110 N113	P107-N109 WeakPolarHBondContact CB-OD1 3.45Å; P107-N109 PolarHBondContact O-N 3.38Å; P107-S110 WeakPolarHBondContact O-CB 3.2Å; P107-S110 PolarHBondContact O-N 3.08Å; P107-S110 PolarHBondContact O-OG 3.34Å; P107-N113 PolarHBondContact O-ND2 3.2Å
108	L	85.9	Confident	76.9	Confident	41 Å²	41	67.4 Å²	67.4	22%	0.215	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.3	-177	-65	173.2	0	0	0	113.3	R85 A88 H89 S110 N113	R85-L108 HydrophobicContact CB-CD1 4.27Å; R85-L108 HydrophobicContact CG-CD1 4.18Å; A88-L108 HydrophobicContact CB-CB 3.93Å; A88-L108 HydrophobicContact CB-CD1 3.76Å; H89-L108 PolarHBondContact ND1-O 2.7Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-N113 WeakPolarHBondContact O-CB 3.43Å
109	N	88	Confident	78.7	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.011	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	9.1	174.6	69	-30.7	0	0	0	113	R91 P92 I93 E97 P107 K114	R91-N109 HydrophobicContact CB-CB 4.13Å; P92-N109 PolarHBondContact O-ND2 3.3Å; I93-N109 VanDerWaalsContact CD1-O 3.32Å; I93-N109 WeakPolarHBondContact CD1-O 3.33Å; I93-N109 WeakPolarHBondContact CG1-O 3.42Å; E97-N109 PolarHBondContact OE2-ND2 3.06Å; P107-N109 WeakPolarHBondContact CB-OD1 3.45Å; P107-N109 PolarHBondContact O-N 3.38Å; N109-K114 WeakPolarHBondContact O-CE 3.47Å
110	S	89	Confident	80.5	Confident	13 Å²	13	62.1 Å²	62.1	9%	0.091	34%	0.342	C	S	.	.	S	Bend	trans	-61.2	159	175.9	81.4	0	0	0	0	111.3	E106 P107 L108 T112 N113 K114	E106-S110 WeakPolarHBondContact CG-OG 3.22Å; E106-S110 VanDerWaalsContact OE1-CB 3.24Å; E106-S110 WeakPolarHBondContact OE1-CB 3.44Å; E106-S110 PolarHBondContact OE1-OG 3.31Å; P107-S110 WeakPolarHBondContact O-CB 3.2Å; P107-S110 PolarHBondContact O-N 3.08Å; P107-S110 PolarHBondContact O-OG 3.34Å; L108-S110 VanDerWaalsContact C-N 3.31Å; S110-T112 VanDerWaalsContact C-N 3.29Å; S110-T112 PolarHBondContact O-N 2.88Å; S110-T112 PolarHBondContact OG-N 3.4Å; S110-N113 PolarHBondContact O-N 3.41Å; S110-N113 PolarHBondContact OG-N 3.35Å; S110-N113 VanDerWaalsContact OG-N 3.09Å; S110-N113 PolarHBondContact OG-ND2 3.1Å; S110-N113 VanDerWaalsContact OG-ND2 3.15Å; S110-K114 WeakPolarHBondContact O-CB 2.95Å; S110-K114 WeakPolarHBondContact O-CG 3.29Å; S110-K114 PolarHBondContact O-N 3.29Å
111	R	87.8	Confident	82.1	Confident	60 Å²	60	56.6 Å²	56.6	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-54.4	-47.1	174.7	-174.9	179.9	178.7	81.4	6.8	111.8	K114 L115 L180 E181 V183 E186	R111-K114 PolarHBondContact O-N 3.12Å; R111-L115 HydrophobicContact CG-CD1 3.95Å; R111-L115 WeakPolarHBondContact O-CB 3.32Å; R111-L115 VanDerWaalsContact O-CG 3.3Å; R111-L115 WeakPolarHBondContact O-CG 3.32Å; R111-L115 PolarHBondContact O-N 3.22Å; R111-L180 PolarHBondContact NH2-O 3.02Å; R111-E181 PolarHBondContact NH2-O 2.86Å; R111-V183 PolarHBondContact NH1-O 3.21Å; R111-V183 PolarHBondContact NH2-O 3.08Å; R111-E186 HydrophobicContact CB-CG 4.21Å; R111-E186 HydrophobicContact CG-CG 4.33Å
112	T	90.4	Very high	83.8	Confident	43 Å²	43	52.1 Å²	52.1	26%	0.264	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-47.6	-180	-39.6	0	0	0	0	111.2	E106 S110 K114 L115 L116 F173 M177	E106-T112 WeakPolarHBondContact OE1-CB 3.45Å; E106-T112 PolarHBondContact OE1-OG1 2.63Å; S110-T112 VanDerWaalsContact C-N 3.29Å; S110-T112 PolarHBondContact O-N 2.88Å; S110-T112 PolarHBondContact OG-N 3.4Å; T112-K114 PolarHBondContact O-N 2.86Å; T112-L115 PolarHBondContact O-N 2.91Å; T112-L116 WeakPolarHBondContact O-CB 3.3Å; T112-L116 PolarHBondContact O-N 3.4Å; T112-F173 HydrophobicContact CG2-CE1 4.12Å; T112-F173 HydrophobicContact CG2-CZ 4.02Å; T112-M177 HydrophobicContact CG2-CE 4.25Å; T112-M177 HydrophobicContact CG2-SD 4.33Å
113	N	90.4	Very high	85.4	Confident	33 Å²	33	46.9 Å²	46.9	18%	0.176	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-36.8	-179.7	-79	-55	0	0	0	112.6	P107 L108 S110 L116 F117	P107-N113 PolarHBondContact O-ND2 3.2Å; L108-N113 WeakPolarHBondContact O-CB 3.43Å; S110-N113 PolarHBondContact O-N 3.41Å; S110-N113 PolarHBondContact OG-N 3.35Å; S110-N113 VanDerWaalsContact OG-N 3.09Å; S110-N113 PolarHBondContact OG-ND2 3.1Å; S110-N113 VanDerWaalsContact OG-ND2 3.15Å; N113-L116 PolarHBondContact O-N 3.48Å; N113-F117 VanDerWaalsContact O-CB 3.32Å; N113-F117 WeakPolarHBondContact O-CB 3.44Å; N113-F117 PolarHBondContact O-N 3.34Å
114	K	91.3	Very high	86.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-44.3	172.2	-75.6	173.9	-177.3	-78.3	0	111.7	H89 R91 N109 S110 R111 T112 F117 A118 M189	H89-K114 WeakPolarHBondContact O-CE 3.43Å; H89-K114 WeakPolarHBondContact O-CG 3.42Å; H89-K114 PolarHBondContact O-NZ 3.24Å; R91-K114 PolarHBondContact O-NZ 3.12Å; N109-K114 WeakPolarHBondContact O-CE 3.47Å; S110-K114 WeakPolarHBondContact O-CB 2.95Å; S110-K114 WeakPolarHBondContact O-CG 3.29Å; S110-K114 PolarHBondContact O-N 3.29Å; R111-K114 PolarHBondContact O-N 3.12Å; T112-K114 PolarHBondContact O-N 2.86Å; K114-F117 WeakPolarHBondContact O-CB 3.49Å; K114-F117 PolarHBondContact O-N 3.43Å; K114-A118 PolarHBondContact O-N 3.36Å; K114-M189 HydrophobicContact CB-SD 4.17Å; K114-M189 HydrophobicContact CD-CB 4.39Å; K114-M189 PolarHBondContact NZ-O 2.73Å; K114-M189 WeakPolarHBondContact O-CE 3.19Å
115	L	91.9	Very high	87.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-42.1	176.2	-75	170.4	0	0	0	111.4	R111 T112 F117 A118 F119 F173 F176 M177 L180 V185	R111-L115 HydrophobicContact CG-CD1 3.95Å; R111-L115 WeakPolarHBondContact O-CB 3.32Å; R111-L115 VanDerWaalsContact O-CG 3.3Å; R111-L115 WeakPolarHBondContact O-CG 3.32Å; R111-L115 PolarHBondContact O-N 3.22Å; T112-L115 PolarHBondContact O-N 2.91Å; L115-F117 VanDerWaalsContact C-N 3.32Å; L115-F117 PolarHBondContact O-N 2.96Å; L115-A118 PolarHBondContact O-N 3.05Å; L115-F119 VanDerWaalsContact O-CB 3.29Å; L115-F119 WeakPolarHBondContact O-CB 3.45Å; L115-F119 PolarHBondContact O-N 2.94Å; L115-F173 HydrophobicContact CB-CE2 4.13Å; L115-F173 HydrophobicContact CB-CZ 4.43Å; L115-F176 HydrophobicContact CD2-CD1 4.34Å; L115-F176 HydrophobicContact CD2-CE1 3.96Å; L115-M177 HydrophobicContact CD1-CB 4.47Å; L115-M177 HydrophobicContact CD1-CG 4Å; L115-L180 HydrophobicContact CD2-CB 3.91Å; L115-L180 HydrophobicContact CD2-CD1 3.47Å; L115-L180 VanDerWaalsContact CD2-CD1 3.47Å; L115-L180 HydrophobicContact CD2-CG 4.35Å; L115-V185 HydrophobicContact CD2-CB 4.32Å; L115-V185 HydrophobicContact CD2-CG1 4.03Å; L115-V185 HydrophobicContact CD2-CG2 3.95Å; L115-V185 HydrophobicContact CG-CG1 4.43Å
116	L	91.5	Very high	88.6	Confident	44 Å²	44	45.9 Å²	45.9	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-40.6	176.6	-177	62.7	0	0	0	111.2	T112 N113 F119 R120 F173	T112-L116 WeakPolarHBondContact O-CB 3.3Å; T112-L116 PolarHBondContact O-N 3.4Å; N113-L116 PolarHBondContact O-N 3.48Å; L116-F119 WeakPolarHBondContact O-CB 3.2Å; L116-F119 PolarHBondContact O-N 3.25Å; L116-R120 WeakPolarHBondContact O-CG 2.96Å; L116-R120 PolarHBondContact O-N 2.78Å; L116-F173 VanDerWaalsContact CA-CE2 3.48Å; L116-F173 HydrophobicContact CB-CE2 3.86Å; L116-F173 HydrophobicContact CB-CZ 3.84Å; L116-F173 HydrophobicContact CD1-CD2 4.1Å; L116-F173 HydrophobicContact CD1-CE1 4.49Å; L116-F173 HydrophobicContact CD1-CE2 4.01Å; L116-F173 HydrophobicContact CD1-CG 4.41Å; L116-F173 HydrophobicContact CD1-CZ 4.21Å
117	F	90.2	Very high	89.3	Confident	13 Å²	13	44.5 Å²	44.5	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-47.1	173.6	-174.9	-87.6	0	0	0	111.3	A69 T86 H89 F90 N113 K114 L115 R120 L121 M189	A69-F117 HydrophobicContact CB-CE1 4.49Å; A69-F117 HydrophobicContact CB-CE2 3.61Å; A69-F117 HydrophobicContact CB-CZ 3.5Å; T86-F117 HydrophobicContact CG2-CE2 3.87Å; T86-F117 HydrophobicContact CG2-CZ 4.19Å; H89-F117 HydrophobicContact CB-CD2 4.36Å; H89-F117 HydrophobicContact CB-CG 4.31Å; H89-F117 AromaticContact CD2-CD2 3.45Å; H89-F117 VanDerWaalsContact CD2-CD2 3.45Å; H89-F117 WeakPolarHBondContact CD2-CD2 3.32Å; H89-F117 AromaticContact CG-CD2 3.98Å; F90-F117 HydrophobicContact CE1-CE1 4.14Å; F90-F117 AromaticContact CE2-CE1 3.93Å; F90-F117 HydrophobicContact CE2-CE1 3.93Å; F90-F117 AromaticContact CE2-CZ 3.93Å; F90-F117 HydrophobicContact CE2-CZ 3.93Å; F90-F117 HydrophobicContact CZ-CD1 4.04Å; F90-F117 AromaticContact CZ-CE1 3.32Å; F90-F117 HydrophobicContact CZ-CE1 3.32Å; F90-F117 AromaticContact CZ-CZ 3.78Å; F90-F117 HydrophobicContact CZ-CZ 3.78Å; N113-F117 VanDerWaalsContact O-CB 3.32Å; N113-F117 WeakPolarHBondContact O-CB 3.44Å; N113-F117 PolarHBondContact O-N 3.34Å; K114-F117 WeakPolarHBondContact O-CB 3.49Å; K114-F117 PolarHBondContact O-N 3.43Å; L115-F117 VanDerWaalsContact C-N 3.32Å; L115-F117 PolarHBondContact O-N 2.96Å; F117-R120 PolarHBondContact O-N 2.69Å; F117-L121 HydrophobicContact CD1-CD1 4.34Å; F117-L121 HydrophobicContact CE1-CD1 3.97Å; F117-L121 HydrophobicContact CE1-CD2 4.37Å; F117-L121 HydrophobicContact CE1-CG 4.25Å; F117-L121 PolarHBondContact O-N 3.2Å; F117-M189 HydrophobicContact CD1-CE 3.86Å
118	A	90.8	Very high	89.7	Confident	14 Å²	14	47.7 Å²	47.7	12%	0.116	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-42.6	176	0	0	0	0	0	112	K114 L115 R120 L121 Y122 F176 M189	K114-A118 PolarHBondContact O-N 3.36Å; L115-A118 PolarHBondContact O-N 3.05Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.31Å; A118-L121 VanDerWaalsContact O-CB 3.3Å; A118-L121 WeakPolarHBondContact O-CB 3.36Å; A118-L121 PolarHBondContact O-N 3.43Å; A118-Y122 VanDerWaalsContact O-CD2 3.3Å; A118-Y122 WeakPolarHBondContact O-CD2 3.42Å; A118-F176 HydrophobicContact CB-CE1 4.28Å; A118-F176 HydrophobicContact CB-CZ 4.24Å; A118-M189 HydrophobicContact CB-CE 3.91Å; A118-M189 HydrophobicContact CB-SD 3.92Å
119	F	92.6	Very high	90.1	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-57	-47.1	177.7	-178.8	-90.3	0	0	0	111.5	L115 L116 L121 Y122 D123 D128 I130 I171 F173 F176	L115-F119 VanDerWaalsContact O-CB 3.29Å; L115-F119 WeakPolarHBondContact O-CB 3.45Å; L115-F119 PolarHBondContact O-N 2.94Å; L116-F119 WeakPolarHBondContact O-CB 3.2Å; L116-F119 PolarHBondContact O-N 3.25Å; F119-L121 PolarHBondContact O-N 3.36Å; F119-L121 VanDerWaalsContact O-N 3.17Å; F119-Y122 WeakPolarHBondContact O-CA 3.21Å; F119-Y122 WeakPolarHBondContact O-CB 3.2Å; F119-Y122 PolarHBondContact O-N 2.62Å; F119-D123 HydrophobicContact CD1-CB 4.21Å; F119-D123 HydrophobicContact CE1-CB 3.89Å; F119-D123 PolarHBondContact O-N 2.9Å; F119-D128 WeakPolarHBondContact CZ-O 3.49Å; F119-I130 HydrophobicContact CD2-CD1 3.5Å; F119-I130 VanDerWaalsContact CD2-CD1 3.5Å; F119-I130 HydrophobicContact CD2-CG1 3.97Å; F119-I130 HydrophobicContact CE2-CD1 3.52Å; F119-I130 HydrophobicContact CE2-CG1 3.55Å; F119-I130 HydrophobicContact CG-CD1 4.35Å; F119-I130 HydrophobicContact CZ-CD1 4.37Å; F119-I130 HydrophobicContact CZ-CG1 3.93Å; F119-I171 WeakPolarHBondContact CE2-O 2.84Å; F119-F173 HydrophobicContact CB-CD2 4Å; F119-F173 HydrophobicContact CB-CE2 4.36Å; F119-F173 HydrophobicContact CD1-CD2 4.42Å; F119-F173 HydrophobicContact CD2-CB 4.41Å; F119-F173 HydrophobicContact CD2-CD2 4.06Å; F119-F173 HydrophobicContact CE2-CB 4.24Å; F119-F173 AromaticContact CG-CD2 3.9Å; F119-F173 HydrophobicContact CG-CD2 3.9Å; F119-F173 HydrophobicContact CZ-CB 4.3Å; F119-F176 HydrophobicContact CB-CD1 4.18Å; F119-F176 HydrophobicContact CB-CE1 4.21Å; F119-F176 HydrophobicContact CD2-CB 3.85Å; F119-F176 HydrophobicContact CD2-CD1 4.12Å; F119-F176 HydrophobicContact CD2-CD2 4.25Å; F119-F176 AromaticContact CD2-CG 3.83Å; F119-F176 HydrophobicContact CD2-CG 3.83Å; F119-F176 HydrophobicContact CE2-CB 4.26Å
120	R	89.1	Confident	90.5	Very high	159 Å²	159	49.2 Å²	49.2	60%	0.6	23%	0.234	S	C	*	.	H	α-helix	trans	-65.3	-14.7	175.4	-72.5	178.8	174.7	-177.7	-1.7	114.6	L116 F117 A118 Y122	L116-R120 WeakPolarHBondContact O-CG 2.96Å; L116-R120 PolarHBondContact O-N 2.78Å; F117-R120 PolarHBondContact O-N 2.69Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.31Å; R120-Y122 VanDerWaalsContact C-N 3.35Å
121	L	88.9	Confident	90.8	Very high	35 Å²	35	49.8 Å²	49.8	18%	0.183	24%	0.238	C	C	.	.	H	α-helix	trans	-77.8	-25	169	-64.1	175.3	0	0	0	111.4	R65 A69 F117 A118 F119	R65-L121 HydrophobicContact CB-CD2 4.24Å; R65-L121 VanDerWaalsContact CD-O 3.32Å; R65-L121 WeakPolarHBondContact CD-O 3.42Å; R65-L121 PolarHBondContact NH1-O 2.73Å; R65-L121 WeakPolarHBondContact O-CD2 3.29Å; A69-L121 HydrophobicContact CB-CD2 3.94Å; F117-L121 HydrophobicContact CD1-CD1 4.34Å; F117-L121 HydrophobicContact CE1-CD1 3.97Å; F117-L121 HydrophobicContact CE1-CD2 4.37Å; F117-L121 HydrophobicContact CE1-CG 4.25Å; F117-L121 PolarHBondContact O-N 3.2Å; A118-L121 VanDerWaalsContact O-CB 3.3Å; A118-L121 WeakPolarHBondContact O-CB 3.36Å; A118-L121 PolarHBondContact O-N 3.43Å; F119-L121 PolarHBondContact O-N 3.36Å; F119-L121 VanDerWaalsContact O-N 3.17Å
122	Y	91	Very high	91.1	Very high	58 Å²	58	51.1 Å²	51.1	23%	0.227	24%	0.243	C	C	.	.	H	α-helix	trans	-85.5	-51.1	175.3	-73.9	-93.7	0	0	0	111.3	R65 A118 F119 R120 L124 I130 L135 V138 F176	R65-Y122 PolarHBondContact NH1-O 3.32Å; A118-Y122 VanDerWaalsContact O-CD2 3.3Å; A118-Y122 WeakPolarHBondContact O-CD2 3.42Å; F119-Y122 WeakPolarHBondContact O-CA 3.21Å; F119-Y122 WeakPolarHBondContact O-CB 3.2Å; F119-Y122 PolarHBondContact O-N 2.62Å; R120-Y122 VanDerWaalsContact C-N 3.35Å; Y122-L124 PolarHBondContact O-N 3.44Å; Y122-I130 HydrophobicContact CD2-CD1 4.47Å; Y122-I130 HydrophobicContact CG-CD1 4.03Å; Y122-L135 HydrophobicContact CD1-CD1 4.17Å; Y122-L135 HydrophobicContact CE1-CD1 4Å; Y122-V138 HydrophobicContact CD1-CB 3.95Å; Y122-V138 HydrophobicContact CD1-CG1 4.13Å; Y122-V138 HydrophobicContact CD1-CG2 3.56Å; Y122-V138 HydrophobicContact CE1-CB 3.76Å; Y122-V138 HydrophobicContact CE1-CG1 3.51Å; Y122-V138 HydrophobicContact CE1-CG2 3.85Å; Y122-V138 HydrophobicContact CG-CG2 4.29Å; Y122-F176 HydrophobicContact CD2-CE2 4.43Å; Y122-F176 HydrophobicContact CE2-CE2 4.46Å
123	D	91.1	Very high	91.3	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.043	26%	0.259	C	S	.	.			trans	-69.3	98.5	179.1	176.2	9.1	0	0	0	110.7	F119 R126 D127 D128 K129 I130	F119-D123 HydrophobicContact CD1-CB 4.21Å; F119-D123 HydrophobicContact CE1-CB 3.89Å; F119-D123 PolarHBondContact O-N 2.9Å; D123-R126 WeakPolarHBondContact OD1-CA 3.34Å; D123-R126 PolarHBondContact OD1-N 3.37Å; D123-R126 WeakPolarHBondContact OD2-CA 3.38Å; D123-D127 PolarHBondContact OD1-N 2.9Å; D123-D128 PolarHBondContact OD2-N 3.49Å; D123-K129 WeakPolarHBondContact CB-O 3.44Å; D123-I130 HydrophobicContact CB-CG1 4.47Å
124	L	85.2	Confident	91.4	Very high	69 Å²	69	53.4 Å²	53.4	36%	0.361	25%	0.253	S	S	.	.	S	Bend	trans	-88.1	-37.4	-176	-70.1	-176.6	0	0	0	112.2	R65 Y122 R126 E134	R65-L124 HydrophobicContact CG-CD2 4.38Å; Y122-L124 PolarHBondContact O-N 3.44Å; L124-R126 VanDerWaalsContact C-N 3.34Å; L124-E134 HydrophobicContact CB-CG 4.44Å; L124-E134 PolarHBondContact N-OE1 3.41Å
125	D	87.9	Confident	91.5	Very high	104 Å²	104	54 Å²	54	56%	0.556	26%	0.257	S	S	*	.	S	Bend	trans	-86.8	-8	-178.7	71.6	8.2	0	0	0	113.5	D127 E134	D125-D127 VanDerWaalsContact C-N 3.32Å; D125-D127 WeakPolarHBondContact OD1-CB 3.32Å; D125-D127 PolarHBondContact OD1-N 3.34Å; D125-D127 VanDerWaalsContact OD1-N 3.13Å; D125-E134 PolarHBondContact N-OE1 3.3Å
126	R	86.5	Confident	91.5	Very high	114 Å²	114	54.8 Å²	54.8	43%	0.43	26%	0.26	S	S	.	.			trans	64.4	35.5	175.6	-53.8	-177.9	179.4	-170.7	-0.2	112.2	F71 E73 D123 L124 D128	F71-R126 PolarHBondContact O-NH2 3.33Å; E73-R126 VanDerWaalsContact N-NH1 3.19Å; D123-R126 WeakPolarHBondContact OD1-CA 3.34Å; D123-R126 PolarHBondContact OD1-N 3.37Å; D123-R126 WeakPolarHBondContact OD2-CA 3.38Å; L124-R126 VanDerWaalsContact C-N 3.34Å; R126-D128 PolarHBondContact O-N 3.2Å
127	D	91.8	Very high	91.4	Very high	75 Å²	75	57 Å²	57	40%	0.401	27%	0.27	S	S	.	.	S	Bend	trans	-82.3	7.9	175.1	84.6	-13.9	0	0	0	113.5	D123 D125 K129	D123-D127 PolarHBondContact OD1-N 2.9Å; D125-D127 VanDerWaalsContact C-N 3.32Å; D125-D127 WeakPolarHBondContact OD1-CB 3.32Å; D125-D127 PolarHBondContact OD1-N 3.34Å; D125-D127 VanDerWaalsContact OD1-N 3.13Å; D127-K129 PolarHBondContact O-N 2.91Å; D127-K129 WeakPolarHBondContact OD1-CA 3.37Å; D127-K129 VanDerWaalsContact OD1-CB 3.28Å; D127-K129 WeakPolarHBondContact OD1-CB 3.47Å; D127-K129 PolarHBondContact OD1-N 3.42Å; D127-K129 VanDerWaalsContact OD1-O 3.12Å
128	D	92.3	Very high	91.4	Very high	114 Å²	114	56.5 Å²	56.5	61%	0.61	27%	0.268	S	S	*	.	S	Bend	trans	63.5	21.5	-175.7	-70.2	-47.5	0	0	0	113.5	F119 D123 R126	F119-D128 WeakPolarHBondContact CZ-O 3.49Å; D123-D128 PolarHBondContact OD2-N 3.49Å; R126-D128 PolarHBondContact O-N 3.2Å
129	K	94.8	Very high	91.3	Very high	73 Å²	73	57.4 Å²	57.4	32%	0.317	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161.7	175.3	-53.7	-174	-179.7	-164	0	110	D123 D127 D168 C170	D123-K129 WeakPolarHBondContact CB-O 3.44Å; D127-K129 PolarHBondContact O-N 2.91Å; D127-K129 WeakPolarHBondContact OD1-CA 3.37Å; D127-K129 VanDerWaalsContact OD1-CB 3.28Å; D127-K129 WeakPolarHBondContact OD1-CB 3.47Å; D127-K129 PolarHBondContact OD1-N 3.42Å; D127-K129 VanDerWaalsContact OD1-O 3.12Å; K129-D168 IonicContact NZ-OD2 2.73Å; K129-D168 PolarHBondContact NZ-OD2 2.75Å; K129-C170 HydrophobicContact CB-CB 3.99Å; K129-C170 HydrophobicContact CD-CB 4.1Å
130	I	95.6	Very high	91.1	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.8	169	-59.3	164.2	0	0	0	106.9	F119 Y122 D123 E134 L135 C170 I171 F176	F119-I130 HydrophobicContact CD2-CD1 3.5Å; F119-I130 VanDerWaalsContact CD2-CD1 3.5Å; F119-I130 HydrophobicContact CD2-CG1 3.97Å; F119-I130 HydrophobicContact CE2-CD1 3.52Å; F119-I130 HydrophobicContact CE2-CG1 3.55Å; F119-I130 HydrophobicContact CG-CD1 4.35Å; F119-I130 HydrophobicContact CZ-CD1 4.37Å; F119-I130 HydrophobicContact CZ-CG1 3.93Å; Y122-I130 HydrophobicContact CD2-CD1 4.47Å; Y122-I130 HydrophobicContact CG-CD1 4.03Å; D123-I130 HydrophobicContact CB-CG1 4.47Å; I130-E134 HydrophobicContact CG2-CB 4.39Å; I130-L135 HydrophobicContact CG2-CB 4.09Å; I130-C170 WeakPolarHBondContact O-CA 3.47Å; I130-I171 HydrophobicContact CB-CB 4.23Å; I130-I171 PolarHBondContact N-O 3.47Å; I130-I171 PolarHBondContact O-N 2.88Å; I130-F176 HydrophobicContact CD1-CD2 3.9Å; I130-F176 HydrophobicContact CD1-CE2 4.2Å
131	S	95.5	Very high	91	Very high	26 Å²	26	58.8 Å²	58.8	18%	0.182	28%	0.279	C	S	.	.			trans	-74.3	163.1	173.9	68.5	0	0	0	0	111.6	D133 E134 L135	S131-D133 VanDerWaalsContact C-N 3.26Å; S131-D133 PolarHBondContact O-N 3.26Å; S131-E134 WeakPolarHBondContact CB-OE2 3.28Å; S131-E134 PolarHBondContact N-OE2 3.4Å; S131-E134 PolarHBondContact O-N 2.98Å; S131-E134 VanDerWaalsContact OG-CD 3.3Å; S131-E134 VanDerWaalsContact OG-CG 3.24Å; S131-E134 WeakPolarHBondContact OG-CG 3.33Å; S131-E134 PolarHBondContact OG-N 2.88Å; S131-E134 PolarHBondContact OG-OE2 2.97Å; S131-L135 PolarHBondContact O-N 3.31Å
132	R	94.6	Very high	90.8	Very high	87 Å²	87	61.6 Å²	61.6	33%	0.328	29%	0.293	S	S	.	.	H	α-helix	trans	-54.9	-42.3	172.5	-174.2	-173.1	-177.3	-83.2	-2.4	112.9	L136 D157 I160	R132-L136 VanDerWaalsContact O-CB 3.28Å; R132-L136 WeakPolarHBondContact O-CB 3.3Å; R132-L136 PolarHBondContact O-N 3.07Å; R132-D157 IonicContact CZ-OD1 3.65Å; R132-D157 IonicContact CZ-OD2 3.42Å; R132-D157 IonicContact NE-OD1 3.1Å; R132-D157 PolarHBondContact NE-OD1 2.99Å; R132-D157 IonicContact NE-OD2 2.66Å; R132-D157 IonicContact NH2-OD1 3.83Å; R132-D157 PolarHBondContact NH2-OD1 2.87Å; R132-D157 IonicContact NH2-OD2 3.3Å; R132-D157 PolarHBondContact NH2-OD2 2.89Å; R132-I160 VanDerWaalsContact CA-CD1 3.41Å; R132-I160 HydrophobicContact CB-CD1 3.62Å; R132-I160 HydrophobicContact CG-CD1 4.05Å
133	D	93.3	Very high	90.3	Very high	114 Å²	114	61.6 Å²	61.6	61%	0.61	30%	0.298	S	S	*	.	H	α-helix	trans	-71.4	-38.2	-175.3	-69	-24.1	0	0	0	111.5	S131 L136 Q137	S131-D133 VanDerWaalsContact C-N 3.26Å; S131-D133 PolarHBondContact O-N 3.26Å; D133-L136 PolarHBondContact O-N 3.5Å; D133-Q137 WeakPolarHBondContact O-CB 3.43Å; D133-Q137 PolarHBondContact O-N 2.79Å
134	E	93.8	Very high	89.4	Confident	11 Å²	11	63.2 Å²	63.2	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-44	174.8	-71.8	168.1	131.1	0	0	112.3	L124 D125 I130 S131 Q137 V138	L124-E134 HydrophobicContact CB-CG 4.44Å; L124-E134 PolarHBondContact N-OE1 3.41Å; D125-E134 PolarHBondContact N-OE1 3.3Å; I130-E134 HydrophobicContact CG2-CB 4.39Å; S131-E134 WeakPolarHBondContact CB-OE2 3.28Å; S131-E134 PolarHBondContact N-OE2 3.4Å; S131-E134 PolarHBondContact O-N 2.98Å; S131-E134 VanDerWaalsContact OG-CD 3.3Å; S131-E134 VanDerWaalsContact OG-CG 3.24Å; S131-E134 WeakPolarHBondContact OG-CG 3.33Å; S131-E134 PolarHBondContact OG-N 2.88Å; S131-E134 PolarHBondContact OG-OE2 2.97Å; E134-Q137 PolarHBondContact O-N 3.49Å; E134-V138 PolarHBondContact O-N 2.95Å
135	L	92.9	Very high	88.8	Confident	13 Å²	13	67 Å²	67	7%	0.068	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-46.8	174.8	179.4	60.2	0	0	0	110.8	Y122 I130 S131 Q137 V138 L139 A156 T159 I160	Y122-L135 HydrophobicContact CD1-CD1 4.17Å; Y122-L135 HydrophobicContact CE1-CD1 4Å; I130-L135 HydrophobicContact CG2-CB 4.09Å; S131-L135 PolarHBondContact O-N 3.31Å; L135-Q137 VanDerWaalsContact C-N 3.3Å; L135-Q137 PolarHBondContact O-N 2.84Å; L135-V138 PolarHBondContact O-N 2.95Å; L135-L139 HydrophobicContact CD1-CD1 4.4Å; L135-L139 HydrophobicContact CD1-CG 4.39Å; L135-L139 HydrophobicContact CG-CD1 4.13Å; L135-L139 WeakPolarHBondContact O-CG 3.25Å; L135-L139 PolarHBondContact O-N 2.85Å; L135-A156 HydrophobicContact CD2-CB 4.21Å; L135-A156 HydrophobicContact CG-CB 4.42Å; L135-T159 HydrophobicContact CD2-CG2 3.88Å; L135-I160 HydrophobicContact CD2-CD1 4.36Å; L135-I160 HydrophobicContact CD2-CG1 4.01Å
136	L	91.7	Very high	88.3	Confident	16 Å²	16	69.2 Å²	69.2	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-61.5	-40.2	178.7	-171.4	68.8	0	0	0	111.5	R132 D133 L139 R140 L152 A156	R132-L136 VanDerWaalsContact O-CB 3.28Å; R132-L136 WeakPolarHBondContact O-CB 3.3Å; R132-L136 PolarHBondContact O-N 3.07Å; D133-L136 PolarHBondContact O-N 3.5Å; L136-L139 PolarHBondContact O-N 3.49Å; L136-R140 WeakPolarHBondContact O-CB 3.49Å; L136-R140 WeakPolarHBondContact O-CG 3.29Å; L136-R140 PolarHBondContact O-N 2.89Å; L136-L152 HydrophobicContact CD1-CB 3.7Å; L136-A156 HydrophobicContact CD1-CB 4.18Å
137	Q	90	Very high	88.2	Confident	91 Å²	91	66.1 Å²	66.1	43%	0.425	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-44	176.9	-170.4	-178.8	8.1	0	0	111.6	D133 E134 L135 R140 M141	D133-Q137 WeakPolarHBondContact O-CB 3.43Å; D133-Q137 PolarHBondContact O-N 2.79Å; E134-Q137 PolarHBondContact O-N 3.49Å; L135-Q137 VanDerWaalsContact C-N 3.3Å; L135-Q137 PolarHBondContact O-N 2.84Å; Q137-R140 PolarHBondContact O-N 3.24Å; Q137-M141 VanDerWaalsContact O-CG 3.29Å; Q137-M141 WeakPolarHBondContact O-CG 3.41Å; Q137-M141 PolarHBondContact O-N 2.93Å
138	V	89.4	Confident	88.1	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-47.2	175	177.5	0	0	0	0	111.1	L62 R65 Y122 E134 L135 R140 M141 M142	L62-V138 HydrophobicContact CD2-CG1 4.37Å; R65-V138 VanDerWaalsContact NH2-CG2 3.33Å; Y122-V138 HydrophobicContact CD1-CB 3.95Å; Y122-V138 HydrophobicContact CD1-CG1 4.13Å; Y122-V138 HydrophobicContact CD1-CG2 3.56Å; Y122-V138 HydrophobicContact CE1-CB 3.76Å; Y122-V138 HydrophobicContact CE1-CG1 3.51Å; Y122-V138 HydrophobicContact CE1-CG2 3.85Å; Y122-V138 HydrophobicContact CG-CG2 4.29Å; E134-V138 PolarHBondContact O-N 2.95Å; L135-V138 PolarHBondContact O-N 2.95Å; V138-R140 VanDerWaalsContact C-N 3.33Å; V138-R140 PolarHBondContact O-N 3.32Å; V138-M141 WeakPolarHBondContact O-CB 3.36Å; V138-M141 PolarHBondContact O-N 3.25Å; V138-M141 VanDerWaalsContact O-N 3.12Å; V138-M142 HydrophobicContact CG1-CE 3.35Å; V138-M142 HydrophobicContact CG1-CG 4.28Å; V138-M142 HydrophobicContact CG1-SD 3.9Å; V138-M142 WeakPolarHBondContact O-CG 3.44Å; V138-M142 PolarHBondContact O-N 3.41Å; V138-M142 VanDerWaalsContact O-N 3.09Å
139	L	89.2	Confident	87.9	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.168	34%	0.34	C	S	.	.	H	α-helix	trans	-57.9	-47.7	-179.9	-70.9	173.6	0	0	0	110.6	L135 L136 M141 M142 V143 L152 I155 A156	L135-L139 HydrophobicContact CD1-CD1 4.4Å; L135-L139 HydrophobicContact CD1-CG 4.39Å; L135-L139 HydrophobicContact CG-CD1 4.13Å; L135-L139 WeakPolarHBondContact O-CG 3.25Å; L135-L139 PolarHBondContact O-N 2.85Å; L136-L139 PolarHBondContact O-N 3.49Å; L139-M141 VanDerWaalsContact C-N 3.26Å; L139-M141 PolarHBondContact O-N 3.05Å; L139-M142 PolarHBondContact O-N 3.31Å; L139-V143 HydrophobicContact CB-CG2 4.47Å; L139-V143 WeakPolarHBondContact O-CG2 3.36Å; L139-V143 PolarHBondContact O-N 3.07Å; L139-L152 HydrophobicContact CB-CD2 4.28Å; L139-I155 HydrophobicContact CD1-CG2 4.01Å; L139-A156 HydrophobicContact CD1-CB 4.16Å
140	R	88.9	Confident	87.6	Confident	123 Å²	123	67.1 Å²	67.1	46%	0.464	36%	0.359	S	S	.	.	H	α-helix	trans	-54	-40.8	176	-78.4	175.3	167.3	176.9	0	113.1	L136 Q137 V138 M142 D149 L152	L136-R140 WeakPolarHBondContact O-CB 3.49Å; L136-R140 WeakPolarHBondContact O-CG 3.29Å; L136-R140 PolarHBondContact O-N 2.89Å; Q137-R140 PolarHBondContact O-N 3.24Å; V138-R140 VanDerWaalsContact C-N 3.33Å; V138-R140 PolarHBondContact O-N 3.32Å; R140-M142 VanDerWaalsContact C-N 3.34Å; R140-D149 IonicContact CZ-OD1 3.84Å; R140-D149 VanDerWaalsContact CZ-OD1 3.24Å; R140-D149 IonicContact NE-OD1 3.82Å; R140-D149 PolarHBondContact NE-OD1 2.74Å; R140-D149 IonicContact NH2-OD1 2.95Å; R140-D149 PolarHBondContact NH2-OD1 2.92Å; R140-D149 IonicContact NH2-OD2 2.98Å; R140-D149 PolarHBondContact NH2-OD2 2.86Å; R140-L152 HydrophobicContact CB-CD1 4.41Å; R140-L152 HydrophobicContact CG-CD1 3.53Å
141	M	86.4	Confident	87.4	Confident	66 Å²	66	72 Å²	72	33%	0.325	38%	0.382	S	S	.	.	H	α-helix	trans	-68.3	-32.7	177.4	-63.3	171.6	101.5	0	0	112.4	P61 L62 Q137 V138 L139	P61-M141 HydrophobicContact CB-CB 4.3Å; P61-M141 VanDerWaalsContact CB-O 3.28Å; P61-M141 WeakPolarHBondContact CB-O 3.3Å; P61-M141 WeakPolarHBondContact O-CE 3.13Å; L62-M141 HydrophobicContact CD2-CB 4.48Å; Q137-M141 VanDerWaalsContact O-CG 3.29Å; Q137-M141 WeakPolarHBondContact O-CG 3.41Å; Q137-M141 PolarHBondContact O-N 2.93Å; V138-M141 WeakPolarHBondContact O-CB 3.36Å; V138-M141 PolarHBondContact O-N 3.25Å; V138-M141 VanDerWaalsContact O-N 3.12Å; L139-M141 VanDerWaalsContact C-N 3.26Å; L139-M141 PolarHBondContact O-N 3.05Å
142	M	84.6	Confident	87.2	Confident	95 Å²	95	71 Å²	71	47%	0.468	38%	0.375	S	S	.	.	H	α-helix	trans	-86.5	-42.5	-174.9	-69.5	-177.2	-179.4	0	0	114.5	L62 V138 L139 R140	L62-M142 HydrophobicContact CD1-CE 3.49Å; L62-M142 VanDerWaalsContact CD1-CE 3.49Å; L62-M142 HydrophobicContact CD2-CE 3.98Å; L62-M142 HydrophobicContact CD2-CG 4.28Å; L62-M142 HydrophobicContact CG-CE 4.32Å; V138-M142 HydrophobicContact CG1-CE 3.35Å; V138-M142 HydrophobicContact CG1-CG 4.28Å; V138-M142 HydrophobicContact CG1-SD 3.9Å; V138-M142 WeakPolarHBondContact O-CG 3.44Å; V138-M142 PolarHBondContact O-N 3.41Å; V138-M142 VanDerWaalsContact O-N 3.09Å; L139-M142 PolarHBondContact O-N 3.31Å; R140-M142 VanDerWaalsContact C-N 3.34Å
143	V	81.7	Confident	87.1	Confident	57 Å²	57	67.1 Å²	67.1	35%	0.345	36%	0.362	S	S	.	.	H	α-helix	trans	-90.2	-11.8	-169.7	-116.6	0	0	0	0	114.4	L139 I147 L152	L139-V143 HydrophobicContact CB-CG2 4.47Å; L139-V143 WeakPolarHBondContact O-CG2 3.36Å; L139-V143 PolarHBondContact O-N 3.07Å; V143-I147 HydrophobicContact CB-CD1 4.07Å; V143-I147 HydrophobicContact CB-CG1 4.22Å; V143-I147 HydrophobicContact CG1-CD1 3.57Å; V143-I147 HydrophobicContact CG1-CG1 4.1Å; V143-I147 HydrophobicContact CG2-CD1 4.48Å; V143-L152 HydrophobicContact CB-CD2 4.42Å; V143-L152 HydrophobicContact CG2-CD2 3.48Å; V143-L152 VanDerWaalsContact CG2-CD2 3.48Å
144	G	71	Confident	87.1	Confident	42 Å²	42	65.2 Å²	65.2	43%	0.433	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	61.6	-158.4	175.1	0	0	0	0	0	114	N146	G144-N146 PolarHBondContact O-N 2.97Å; G144-N146 VanDerWaalsContact O-N 3.07Å
145	V	72.1	Confident	87	Confident	149 Å²	149	68.1 Å²	68.1	90%	0.903	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-70.5	-4.3	-169.7	-138.2	0	0	0	0	114.7
146	N	78.4	Confident	87	Confident	150 Å²	150	67.5 Å²	67.5	80%	0.802	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-87.4	-7.5	-169.6	-67.7	-11.1	0	0	0	113.8	G144	G144-N146 PolarHBondContact O-N 2.97Å; G144-N146 VanDerWaalsContact O-N 3.07Å
147	I	84.7	Confident	87.1	Confident	49 Å²	49	70.1 Å²	70.1	25%	0.251	38%	0.383	S	S	.	.	S	Bend	trans	-124.4	132	179.3	-55.7	-158.3	0	0	0	109	V143 Q151 L152 I155	V143-I147 HydrophobicContact CB-CD1 4.07Å; V143-I147 HydrophobicContact CB-CG1 4.22Å; V143-I147 HydrophobicContact CG1-CD1 3.57Å; V143-I147 HydrophobicContact CG1-CG1 4.1Å; V143-I147 HydrophobicContact CG2-CD1 4.48Å; I147-Q151 HydrophobicContact CG2-CB 3.44Å; I147-Q151 VanDerWaalsContact CG2-CB 3.44Å; I147-Q151 HydrophobicContact CG2-CG 4.49Å; I147-L152 HydrophobicContact CB-CD2 4.03Å; I147-L152 HydrophobicContact CB-CG 4.23Å; I147-L152 HydrophobicContact CG2-CD2 3.68Å; I147-L152 HydrophobicContact CG2-CG 3.74Å; I147-I155 HydrophobicContact CD1-CD1 4.46Å
148	S	88.8	Confident	87.3	Confident	55 Å²	55	73.5 Å²	73.5	39%	0.385	39%	0.392	S	S	.	.			trans	-69.8	154.2	176.3	60.2	0	0	0	0	112	D150 Q151 L152	S148-D150 PolarHBondContact O-N 3.17Å; S148-Q151 VanDerWaalsContact N-OE1 3.16Å; S148-Q151 WeakPolarHBondContact O-CB 3.44Å; S148-Q151 PolarHBondContact O-N 2.98Å; S148-Q151 VanDerWaalsContact O-N 3.07Å; S148-Q151 WeakPolarHBondContact OG-CB 3.37Å; S148-Q151 VanDerWaalsContact OG-CD 3.31Å; S148-Q151 WeakPolarHBondContact OG-CG 3.24Å; S148-Q151 PolarHBondContact OG-N 3.19Å; S148-Q151 PolarHBondContact OG-OE1 2.79Å; S148-L152 PolarHBondContact O-N 3.06Å
149	D	87.6	Confident	87.5	Confident	93 Å²	93	75.9 Å²	75.9	50%	0.497	41%	0.407	S	S	.	.	H	α-helix	trans	-57.5	-36.6	177.4	-85.5	-36.1	0	0	0	112.9	R140 Q151 L152 G153	R140-D149 IonicContact CZ-OD1 3.84Å; R140-D149 VanDerWaalsContact CZ-OD1 3.24Å; R140-D149 IonicContact NE-OD1 3.82Å; R140-D149 PolarHBondContact NE-OD1 2.74Å; R140-D149 IonicContact NH2-OD1 2.95Å; R140-D149 PolarHBondContact NH2-OD1 2.92Å; R140-D149 IonicContact NH2-OD2 2.98Å; R140-D149 PolarHBondContact NH2-OD2 2.86Å; D149-Q151 VanDerWaalsContact C-N 3.35Å; D149-Q151 PolarHBondContact O-N 3.35Å; D149-L152 PolarHBondContact O-N 3.5Å; D149-G153 PolarHBondContact O-N 3.39Å
150	D	90.4	Very high	87.7	Confident	136 Å²	136	75 Å²	75	73%	0.727	40%	0.402	S	S	*	.	H	α-helix	trans	-65.8	-38	177.1	-64.5	-24.7	0	0	0	112.2	S148 S154	S148-D150 PolarHBondContact O-N 3.17Å; D150-S154 WeakPolarHBondContact O-CB 3.35Å; D150-S154 PolarHBondContact O-N 3.01Å; D150-S154 PolarHBondContact O-OG 3.44Å
151	Q	90.9	Very high	88	Confident	105 Å²	105	76.6 Å²	76.6	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-69.6	-41	174.9	-75.3	172.1	-48.5	0	0	111.4	I147 S148 D149 G153 S154 I155	I147-Q151 HydrophobicContact CG2-CB 3.44Å; I147-Q151 VanDerWaalsContact CG2-CB 3.44Å; I147-Q151 HydrophobicContact CG2-CG 4.49Å; S148-Q151 VanDerWaalsContact N-OE1 3.16Å; S148-Q151 WeakPolarHBondContact O-CB 3.44Å; S148-Q151 PolarHBondContact O-N 2.98Å; S148-Q151 VanDerWaalsContact O-N 3.07Å; S148-Q151 WeakPolarHBondContact OG-CB 3.37Å; S148-Q151 VanDerWaalsContact OG-CD 3.31Å; S148-Q151 WeakPolarHBondContact OG-CG 3.24Å; S148-Q151 PolarHBondContact OG-N 3.19Å; S148-Q151 PolarHBondContact OG-OE1 2.79Å; D149-Q151 VanDerWaalsContact C-N 3.35Å; D149-Q151 PolarHBondContact O-N 3.35Å; Q151-G153 VanDerWaalsContact C-N 3.34Å; Q151-S154 PolarHBondContact O-N 2.92Å; Q151-I155 VanDerWaalsContact O-CG1 3.25Å; Q151-I155 WeakPolarHBondContact O-CG1 3.47Å; Q151-I155 PolarHBondContact O-N 3.47Å
152	L	91.3	Very high	88.3	Confident	4 Å²	4	80.6 Å²	80.6	2%	0.021	43%	0.433	C	S	.	.	H	α-helix	trans	-62.6	-43.1	174.7	-67.9	177.7	0	0	0	111.3	L136 L139 R140 V143 I147 S148 D149 S154 I155 A156	L136-L152 HydrophobicContact CD1-CB 3.7Å; L139-L152 HydrophobicContact CB-CD2 4.28Å; R140-L152 HydrophobicContact CB-CD1 4.41Å; R140-L152 HydrophobicContact CG-CD1 3.53Å; V143-L152 HydrophobicContact CB-CD2 4.42Å; V143-L152 HydrophobicContact CG2-CD2 3.48Å; V143-L152 VanDerWaalsContact CG2-CD2 3.48Å; I147-L152 HydrophobicContact CB-CD2 4.03Å; I147-L152 HydrophobicContact CB-CG 4.23Å; I147-L152 HydrophobicContact CG2-CD2 3.68Å; I147-L152 HydrophobicContact CG2-CG 3.74Å; S148-L152 PolarHBondContact O-N 3.06Å; D149-L152 PolarHBondContact O-N 3.5Å; L152-S154 VanDerWaalsContact C-N 3.35Å; L152-S154 PolarHBondContact O-N 2.87Å; L152-I155 PolarHBondContact O-N 2.81Å; L152-A156 WeakPolarHBondContact O-CB 3.41Å; L152-A156 PolarHBondContact O-N 3.45Å
153	G	92.4	Very high	88.7	Confident	6 Å²	6	76.3 Å²	76.3	6%	0.062	41%	0.412	C	S	.	.	H	α-helix	trans	-56.5	-49.7	172.8	0	0	0	0	0	111.3	D149 Q151 I155 A156 D157	D149-G153 PolarHBondContact O-N 3.39Å; Q151-G153 VanDerWaalsContact C-N 3.34Å; G153-I155 VanDerWaalsContact C-N 3.3Å; G153-I155 PolarHBondContact O-N 3.4Å; G153-A156 PolarHBondContact O-N 3.16Å; G153-A156 VanDerWaalsContact O-N 3.16Å; G153-D157 WeakPolarHBondContact O-CB 3.24Å; G153-D157 PolarHBondContact O-N 3.27Å
154	S	93.3	Very high	89.3	Confident	73 Å²	73	75 Å²	75	51%	0.51	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-36.6	177.9	-60.2	0	0	0	0	113.3	D150 Q151 L152 R158	D150-S154 WeakPolarHBondContact O-CB 3.35Å; D150-S154 PolarHBondContact O-N 3.01Å; D150-S154 PolarHBondContact O-OG 3.44Å; Q151-S154 PolarHBondContact O-N 2.92Å; L152-S154 VanDerWaalsContact C-N 3.35Å; L152-S154 PolarHBondContact O-N 2.87Å; S154-R158 WeakPolarHBondContact O-CB 3.41Å; S154-R158 PolarHBondContact O-N 3.17Å; S154-R158 VanDerWaalsContact O-N 3.11Å
155	I	92	Very high	90.4	Very high	72 Å²	72	77.4 Å²	77.4	37%	0.369	41%	0.41	S	S	.	.	H	α-helix	trans	-68.9	-45.5	175.6	-68.7	163.1	0	0	0	110.2	L139 I147 Q151 L152 G153 R158 T159	L139-I155 HydrophobicContact CD1-CG2 4.01Å; I147-I155 HydrophobicContact CD1-CD1 4.46Å; Q151-I155 VanDerWaalsContact O-CG1 3.25Å; Q151-I155 WeakPolarHBondContact O-CG1 3.47Å; Q151-I155 PolarHBondContact O-N 3.47Å; L152-I155 PolarHBondContact O-N 2.81Å; G153-I155 VanDerWaalsContact C-N 3.3Å; G153-I155 PolarHBondContact O-N 3.4Å; I155-R158 PolarHBondContact O-N 3.25Å; I155-T159 WeakPolarHBondContact O-CB 3.07Å; I155-T159 PolarHBondContact O-N 3.09Å; I155-T159 PolarHBondContact O-OG1 2.62Å
156	A	92.8	Very high	91.4	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-61.5	-47.6	178.3	0	0	0	0	0	111.2	L135 L136 L139 L152 G153 R158 T159 I160	L135-A156 HydrophobicContact CD2-CB 4.21Å; L135-A156 HydrophobicContact CG-CB 4.42Å; L136-A156 HydrophobicContact CD1-CB 4.18Å; L139-A156 HydrophobicContact CD1-CB 4.16Å; L152-A156 WeakPolarHBondContact O-CB 3.41Å; L152-A156 PolarHBondContact O-N 3.45Å; G153-A156 PolarHBondContact O-N 3.16Å; G153-A156 VanDerWaalsContact O-N 3.16Å; A156-R158 PolarHBondContact O-N 3.21Å; A156-T159 PolarHBondContact O-N 3.15Å; A156-I160 PolarHBondContact O-N 2.95Å
157	D	93.3	Very high	92	Very high	72 Å²	72	70.3 Å²	70.3	39%	0.385	38%	0.381	S	S	.	.	H	α-helix	trans	-57.8	-47.6	178.1	-71.7	-37.7	0	0	0	111.6	R132 G153 I160 Q161	R132-D157 IonicContact CZ-OD1 3.65Å; R132-D157 IonicContact CZ-OD2 3.42Å; R132-D157 IonicContact NE-OD1 3.1Å; R132-D157 PolarHBondContact NE-OD1 2.99Å; R132-D157 IonicContact NE-OD2 2.66Å; R132-D157 IonicContact NH2-OD1 3.83Å; R132-D157 PolarHBondContact NH2-OD1 2.87Å; R132-D157 IonicContact NH2-OD2 3.3Å; R132-D157 PolarHBondContact NH2-OD2 2.89Å; G153-D157 WeakPolarHBondContact O-CB 3.24Å; G153-D157 PolarHBondContact O-N 3.27Å; D157-I160 PolarHBondContact O-N 3.29Å; D157-Q161 VanDerWaalsContact O-CB 3.31Å; D157-Q161 WeakPolarHBondContact O-CB 3.36Å; D157-Q161 PolarHBondContact O-N 3.48Å
158	R	93.8	Very high	92.4	Very high	161 Å²	161	70.2 Å²	70.2	61%	0.608	38%	0.381	S	S	*	.	H	α-helix	trans	-65.7	-40.2	177.7	-173.8	175.6	-64	169.4	1.1	112.1	S154 I155 A156 I160 Q161 E162	S154-R158 WeakPolarHBondContact O-CB 3.41Å; S154-R158 PolarHBondContact O-N 3.17Å; S154-R158 VanDerWaalsContact O-N 3.11Å; I155-R158 PolarHBondContact O-N 3.25Å; A156-R158 PolarHBondContact O-N 3.21Å; R158-I160 PolarHBondContact O-N 2.84Å; R158-Q161 PolarHBondContact O-N 2.7Å; R158-E162 WeakPolarHBondContact CD-OE1 3.45Å; R158-E162 HydrophobicContact CG-CG 4.31Å; R158-E162 VanDerWaalsContact CG-OE1 3.25Å; R158-E162 WeakPolarHBondContact CG-OE1 3.41Å; R158-E162 WeakPolarHBondContact O-CB 3.34Å; R158-E162 WeakPolarHBondContact O-CG 3.5Å; R158-E162 PolarHBondContact O-N 2.81Å
159	T	93.5	Very high	92.7	Very high	53 Å²	53	72.4 Å²	72.4	33%	0.325	39%	0.392	S	S	.	.	H	α-helix	trans	-62	-44.9	179.4	-57.9	0	0	0	0	110.9	L135 I155 A156 E162 A163 I171	L135-T159 HydrophobicContact CD2-CG2 3.88Å; I155-T159 WeakPolarHBondContact O-CB 3.07Å; I155-T159 PolarHBondContact O-N 3.09Å; I155-T159 PolarHBondContact O-OG1 2.62Å; A156-T159 PolarHBondContact O-N 3.15Å; T159-E162 PolarHBondContact O-N 2.96Å; T159-A163 VanDerWaalsContact O-CB 3.26Å; T159-A163 WeakPolarHBondContact O-CB 3.35Å; T159-A163 PolarHBondContact O-N 3.26Å; T159-A163 VanDerWaalsContact O-N 3.1Å; T159-I171 HydrophobicContact CG2-CD1 4.43Å
160	I	94.4	Very high	93	Very high	13 Å²	13	69.1 Å²	69.1	7%	0.067	38%	0.376	C	S	.	.	H	α-helix	trans	-65.3	-47.8	176.1	-69.8	174.4	0	0	0	110.2	R132 L135 A156 D157 R158 E162 A163 D164 T169 I171	R132-I160 VanDerWaalsContact CA-CD1 3.41Å; R132-I160 HydrophobicContact CB-CD1 3.62Å; R132-I160 HydrophobicContact CG-CD1 4.05Å; L135-I160 HydrophobicContact CD2-CD1 4.36Å; L135-I160 HydrophobicContact CD2-CG1 4.01Å; A156-I160 PolarHBondContact O-N 2.95Å; D157-I160 PolarHBondContact O-N 3.29Å; R158-I160 PolarHBondContact O-N 2.84Å; I160-E162 PolarHBondContact O-N 3.31Å; I160-A163 PolarHBondContact O-N 3.3Å; I160-A163 VanDerWaalsContact O-N 3.08Å; I160-D164 HydrophobicContact CG2-CB 4.28Å; I160-D164 WeakPolarHBondContact O-CB 3.46Å; I160-D164 PolarHBondContact O-N 3.16Å; I160-T169 WeakPolarHBondContact CG2-O 3.47Å; I160-I171 HydrophobicContact CG1-CD1 4.07Å; I160-I171 HydrophobicContact CG1-CG1 4.12Å
161	Q	94.3	Very high	93.3	Very high	158 Å²	158	63 Å²	63	74%	0.738	34%	0.343	S	S	*	.	H	α-helix	trans	-58.3	-35	179.8	-173.7	-179.3	18.9	0	0	113.3	D157 R158	D157-Q161 VanDerWaalsContact O-CB 3.31Å; D157-Q161 WeakPolarHBondContact O-CB 3.36Å; D157-Q161 PolarHBondContact O-N 3.48Å; R158-Q161 PolarHBondContact O-N 2.7Å
162	E	92.7	Very high	93.5	Very high	150 Å²	150	59.1 Å²	59.1	70%	0.701	33%	0.328	S	S	*	.	H	α-helix	trans	-78.4	-29.2	178	-72.9	177.2	-168.2	0	0	113	R158 T159 I160	R158-E162 WeakPolarHBondContact CD-OE1 3.45Å; R158-E162 HydrophobicContact CG-CG 4.31Å; R158-E162 VanDerWaalsContact CG-OE1 3.25Å; R158-E162 WeakPolarHBondContact CG-OE1 3.41Å; R158-E162 WeakPolarHBondContact O-CB 3.34Å; R158-E162 WeakPolarHBondContact O-CG 3.5Å; R158-E162 PolarHBondContact O-N 2.81Å; T159-E162 PolarHBondContact O-N 2.96Å; I160-E162 PolarHBondContact O-N 3.31Å
163	A	93.8	Very high	93.7	Very high	5 Å²	5	61.1 Å²	61.1	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-88.9	-39.2	-177.3	0	0	0	0	0	113.2	T159 I160 T165 I171 E175 V179	T159-A163 VanDerWaalsContact O-CB 3.26Å; T159-A163 WeakPolarHBondContact O-CB 3.35Å; T159-A163 PolarHBondContact O-N 3.26Å; T159-A163 VanDerWaalsContact O-N 3.1Å; I160-A163 PolarHBondContact O-N 3.3Å; I160-A163 VanDerWaalsContact O-N 3.08Å; A163-T165 PolarHBondContact O-N 2.66Å; A163-I171 HydrophobicContact CB-CD1 3.82Å; A163-I171 HydrophobicContact CB-CG1 3.89Å; A163-I171 HydrophobicContact CB-CG2 4.26Å; A163-E175 WeakPolarHBondContact O-CB 3.25Å; A163-E175 WeakPolarHBondContact O-CG 3.32Å; A163-V179 HydrophobicContact CB-CG2 3.54Å
164	D	94.8	Very high	93.8	Very high	30 Å²	30	68.5 Å²	68.5	16%	0.16	37%	0.369	C	S	.	.			trans	-69.7	116	-175.4	-179.7	5.9	0	0	0	110.5	I160 N166 G167 D168 T169	I160-D164 HydrophobicContact CG2-CB 4.28Å; I160-D164 WeakPolarHBondContact O-CB 3.46Å; I160-D164 PolarHBondContact O-N 3.16Å; D164-N166 PolarHBondContact OD1-N 3.39Å; D164-N166 PolarHBondContact OD1-OD1 3.35Å; D164-N166 VanDerWaalsContact OD1-OD1 3.14Å; D164-G167 WeakPolarHBondContact OD1-CA 3.26Å; D164-G167 PolarHBondContact OD1-N 2.76Å; D164-G167 VanDerWaalsContact OD2-C 3.3Å; D164-G167 VanDerWaalsContact OD2-CA 3.24Å; D164-G167 WeakPolarHBondContact OD2-CA 3.44Å; D164-G167 PolarHBondContact OD2-N 3.29Å; D164-D168 PolarHBondContact OD2-N 2.83Å; D164-T169 WeakPolarHBondContact OD2-CA 3.34Å; D164-T169 PolarHBondContact OD2-N 3.38Å
165	T	93.4	Very high	93.9	Very high	91 Å²	91	65.2 Å²	65.2	56%	0.558	35%	0.345	S	S	*	.	S	Bend	trans	-106.3	-16.2	-179.6	58.7	0	0	0	0	112.8	A163 E175	A163-T165 PolarHBondContact O-N 2.66Å; T165-E175 HydrophobicContact CG2-CG 4.4Å; T165-E175 PolarHBondContact N-OE1 3.19Å; T165-E175 PolarHBondContact OG1-OE1 2.95Å
166	N	92.8	Very high	94	Very high	92 Å²	92	62.9 Å²	62.9	49%	0.492	33%	0.333	S	S	.	.	S	Bend	trans	-107	-10.8	-174.2	71.3	31.1	0	0	0	112.8	D164 D168 E175	D164-N166 PolarHBondContact OD1-N 3.39Å; D164-N166 PolarHBondContact OD1-OD1 3.35Å; D164-N166 VanDerWaalsContact OD1-OD1 3.14Å; N166-D168 WeakPolarHBondContact OD1-CB 3.35Å; N166-D168 PolarHBondContact OD1-N 3.13Å; N166-D168 PolarHBondContact OD1-OD1 3.32Å; N166-E175 PolarHBondContact N-OE1 2.87Å; N166-E175 PolarHBondContact ND2-OE1 3.28Å
167	G	92.1	Very high	94	Very high	59 Å²	59	65.9 Å²	65.9	61%	0.608	35%	0.347	S	S	*	.	S	Bend	trans	80.6	19	176.7	0	0	0	0	0	114.6	D164 T169	D164-G167 WeakPolarHBondContact OD1-CA 3.26Å; D164-G167 PolarHBondContact OD1-N 2.76Å; D164-G167 VanDerWaalsContact OD2-C 3.3Å; D164-G167 VanDerWaalsContact OD2-CA 3.24Å; D164-G167 WeakPolarHBondContact OD2-CA 3.44Å; D164-G167 PolarHBondContact OD2-N 3.29Å; G167-T169 VanDerWaalsContact C-N 3.29Å
168	D	92.7	Very high	94	Very high	47 Å²	47	68.8 Å²	68.8	25%	0.251	36%	0.357	S	S	.	.	S	Bend	trans	-85.5	1.9	-179.5	80.9	-1.4	0	0	0	114	K129 D164 N166 C170	K129-D168 IonicContact NZ-OD2 2.73Å; K129-D168 PolarHBondContact NZ-OD2 2.75Å; D164-D168 PolarHBondContact OD2-N 2.83Å; N166-D168 WeakPolarHBondContact OD1-CB 3.35Å; N166-D168 PolarHBondContact OD1-N 3.13Å; N166-D168 PolarHBondContact OD1-OD1 3.32Å; D168-C170 PolarHBondContact O-N 3.45Å; D168-C170 WeakPolarHBondContact OD1-CA 3.44Å; D168-C170 WeakPolarHBondContact OD1-CB 3.45Å; D168-C170 PolarHBondContact OD1-N 3.11Å
169	T	93.6	Very high	93.8	Very high	101 Å²	101	65 Å²	65	62%	0.62	35%	0.352	S	S	*	.	S	Bend	trans	63.1	14.6	178.9	66.5	0	0	0	0	114.7	I160 D164 G167	I160-T169 WeakPolarHBondContact CG2-O 3.47Å; D164-T169 WeakPolarHBondContact OD2-CA 3.34Å; D164-T169 PolarHBondContact OD2-N 3.38Å; G167-T169 VanDerWaalsContact C-N 3.29Å
170	C	94.8	Very high	93.7	Very high	23 Å²	23	64.5 Å²	64.5	16%	0.155	35%	0.346	C	S	.	.	S	Bend	trans	-122.7	172.3	172.5	-64.6	0	0	0	0	109.7	K129 I130 D168	K129-C170 HydrophobicContact CB-CB 3.99Å; K129-C170 HydrophobicContact CD-CB 4.1Å; I130-C170 WeakPolarHBondContact O-CA 3.47Å; D168-C170 PolarHBondContact O-N 3.45Å; D168-C170 WeakPolarHBondContact OD1-CA 3.44Å; D168-C170 WeakPolarHBondContact OD1-CB 3.45Å; D168-C170 PolarHBondContact OD1-N 3.11Å
171	I	96.1	Very high	93.4	Very high	9 Å²	9	70.3 Å²	70.3	5%	0.046	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	108.9	172.3	-54	174.9	0	0	0	107.9	F119 I130 T159 I160 A163 E175 F176	F119-I171 WeakPolarHBondContact CE2-O 2.84Å; I130-I171 HydrophobicContact CB-CB 4.23Å; I130-I171 PolarHBondContact N-O 3.47Å; I130-I171 PolarHBondContact O-N 2.88Å; T159-I171 HydrophobicContact CG2-CD1 4.43Å; I160-I171 HydrophobicContact CG1-CD1 4.07Å; I160-I171 HydrophobicContact CG1-CG1 4.12Å; A163-I171 HydrophobicContact CB-CD1 3.82Å; A163-I171 HydrophobicContact CB-CG1 3.89Å; A163-I171 HydrophobicContact CB-CG2 4.26Å; I171-E175 HydrophobicContact CG2-CB 3.92Å; I171-F176 HydrophobicContact CG2-CB 4.02Å
172	S	96.3	Very high	92.9	Very high	23 Å²	23	72.3 Å²	72.3	16%	0.161	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	162.4	171.2	66.2	0	0	0	0	111.6	Q174 E175 F176	S172-Q174 PolarHBondContact O-N 3.43Å; S172-E175 WeakPolarHBondContact CB-OE2 3.31Å; S172-E175 PolarHBondContact N-OE2 2.95Å; S172-E175 PolarHBondContact O-N 2.69Å; S172-E175 VanDerWaalsContact O-N 3.1Å; S172-E175 VanDerWaalsContact OG-CD 3.27Å; S172-E175 WeakPolarHBondContact OG-CG 3.34Å; S172-E175 PolarHBondContact OG-N 2.9Å; S172-E175 PolarHBondContact OG-OE2 3.34Å; S172-F176 PolarHBondContact O-N 3.1Å
173	F	95.1	Very high	92.6	Very high	46 Å²	46	67.5 Å²	67.5	20%	0.202	36%	0.361	C	S	.	.	H	α-helix	trans	-55.5	-36.4	175.5	-179.3	-120.3	0	0	0	113	T112 L115 L116 F119 F176 M177	T112-F173 HydrophobicContact CG2-CE1 4.12Å; T112-F173 HydrophobicContact CG2-CZ 4.02Å; L115-F173 HydrophobicContact CB-CE2 4.13Å; L115-F173 HydrophobicContact CB-CZ 4.43Å; L116-F173 VanDerWaalsContact CA-CE2 3.48Å; L116-F173 HydrophobicContact CB-CE2 3.86Å; L116-F173 HydrophobicContact CB-CZ 3.84Å; L116-F173 HydrophobicContact CD1-CD2 4.1Å; L116-F173 HydrophobicContact CD1-CE1 4.49Å; L116-F173 HydrophobicContact CD1-CE2 4.01Å; L116-F173 HydrophobicContact CD1-CG 4.41Å; L116-F173 HydrophobicContact CD1-CZ 4.21Å; F119-F173 HydrophobicContact CB-CD2 4Å; F119-F173 HydrophobicContact CB-CE2 4.36Å; F119-F173 HydrophobicContact CD1-CD2 4.42Å; F119-F173 HydrophobicContact CD2-CB 4.41Å; F119-F173 HydrophobicContact CD2-CD2 4.06Å; F119-F173 HydrophobicContact CE2-CB 4.24Å; F119-F173 AromaticContact CG-CD2 3.9Å; F119-F173 HydrophobicContact CG-CD2 3.9Å; F119-F173 HydrophobicContact CZ-CB 4.3Å; F173-F176 PolarHBondContact O-N 3.48Å; F173-M177 HydrophobicContact CD1-SD 4.09Å; F173-M177 HydrophobicContact CD2-CG 4.43Å; F173-M177 HydrophobicContact CE1-CG 4.11Å; F173-M177 HydrophobicContact CE1-SD 3.45Å; F173-M177 WeakPolarHBondContact CE1-SD 3.47Å; F173-M177 HydrophobicContact CE2-CG 3.97Å; F173-M177 HydrophobicContact CE2-SD 4.36Å; F173-M177 HydrophobicContact CZ-CG 3.81Å; F173-M177 HydrophobicContact CZ-SD 3.61Å; F173-M177 WeakPolarHBondContact O-CG 3.27Å; F173-M177 PolarHBondContact O-N 2.97Å
174	Q	94.7	Very high	92.2	Very high	160 Å²	160	70.2 Å²	70.2	75%	0.748	37%	0.374	S	S	*	.	H	α-helix	trans	-66.7	-40.2	178	-67.2	-164	-16.8	0	0	112.5	S172 M177 K178	S172-Q174 PolarHBondContact O-N 3.43Å; Q174-M177 PolarHBondContact O-N 3.42Å; Q174-K178 PolarHBondContact O-N 2.95Å
175	E	95.3	Very high	91.7	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.019	37%	0.37	C	S	.	.	H	α-helix	trans	-68	-41.6	176	-73.6	156.6	157.3	0	0	110.9	A163 T165 N166 I171 S172 M177 K178 V179	A163-E175 WeakPolarHBondContact O-CB 3.25Å; A163-E175 WeakPolarHBondContact O-CG 3.32Å; T165-E175 HydrophobicContact CG2-CG 4.4Å; T165-E175 PolarHBondContact N-OE1 3.19Å; T165-E175 PolarHBondContact OG1-OE1 2.95Å; N166-E175 PolarHBondContact N-OE1 2.87Å; N166-E175 PolarHBondContact ND2-OE1 3.28Å; I171-E175 HydrophobicContact CG2-CB 3.92Å; S172-E175 WeakPolarHBondContact CB-OE2 3.31Å; S172-E175 PolarHBondContact N-OE2 2.95Å; S172-E175 PolarHBondContact O-N 2.69Å; S172-E175 VanDerWaalsContact O-N 3.1Å; S172-E175 VanDerWaalsContact OG-CD 3.27Å; S172-E175 WeakPolarHBondContact OG-CG 3.34Å; S172-E175 PolarHBondContact OG-N 2.9Å; S172-E175 PolarHBondContact OG-OE2 3.34Å; E175-M177 VanDerWaalsContact C-N 3.33Å; E175-M177 PolarHBondContact O-N 3.48Å; E175-K178 WeakPolarHBondContact O-CB 3.28Å; E175-K178 PolarHBondContact O-N 3.5Å; E175-K178 VanDerWaalsContact O-N 3.09Å; E175-V179 WeakPolarHBondContact O-CG2 3.5Å; E175-V179 PolarHBondContact O-N 3.47Å
176	F	94.4	Very high	91.1	Very high	24 Å²	24	66.7 Å²	66.7	11%	0.105	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-44.6	173.8	-172.2	-98.9	0	0	0	112.2	L115 A118 F119 Y122 I130 I171 S172 F173 K178 V179 L180	L115-F176 HydrophobicContact CD2-CD1 4.34Å; L115-F176 HydrophobicContact CD2-CE1 3.96Å; A118-F176 HydrophobicContact CB-CE1 4.28Å; A118-F176 HydrophobicContact CB-CZ 4.24Å; F119-F176 HydrophobicContact CB-CD1 4.18Å; F119-F176 HydrophobicContact CB-CE1 4.21Å; F119-F176 HydrophobicContact CD2-CB 3.85Å; F119-F176 HydrophobicContact CD2-CD1 4.12Å; F119-F176 HydrophobicContact CD2-CD2 4.25Å; F119-F176 AromaticContact CD2-CG 3.83Å; F119-F176 HydrophobicContact CD2-CG 3.83Å; F119-F176 HydrophobicContact CE2-CB 4.26Å; Y122-F176 HydrophobicContact CD2-CE2 4.43Å; Y122-F176 HydrophobicContact CE2-CE2 4.46Å; I130-F176 HydrophobicContact CD1-CD2 3.9Å; I130-F176 HydrophobicContact CD1-CE2 4.2Å; I171-F176 HydrophobicContact CG2-CB 4.02Å; S172-F176 PolarHBondContact O-N 3.1Å; F173-F176 PolarHBondContact O-N 3.48Å; F176-K178 VanDerWaalsContact C-N 3.33Å; F176-K178 PolarHBondContact O-N 2.88Å; F176-V179 PolarHBondContact O-N 3.09Å; F176-L180 HydrophobicContact CD1-CD1 4.03Å; F176-L180 HydrophobicContact CE1-CD1 3.44Å; F176-L180 VanDerWaalsContact CE1-CD1 3.44Å; F176-L180 HydrophobicContact CE2-CD1 4.04Å; F176-L180 HydrophobicContact CZ-CD1 3.45Å; F176-L180 VanDerWaalsContact CZ-CD1 3.45Å; F176-L180 PolarHBondContact O-N 3.39Å; F176-L180 VanDerWaalsContact O-N 3.16Å
177	M	92.6	Very high	90.5	Very high	62 Å²	62	69 Å²	69	31%	0.305	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-42	174.6	-74.3	-175	68.4	0	0	112.2	T112 L115 F173 Q174 E175 L180 E181	T112-M177 HydrophobicContact CG2-CE 4.25Å; T112-M177 HydrophobicContact CG2-SD 4.33Å; L115-M177 HydrophobicContact CD1-CB 4.47Å; L115-M177 HydrophobicContact CD1-CG 4Å; F173-M177 HydrophobicContact CD1-SD 4.09Å; F173-M177 HydrophobicContact CD2-CG 4.43Å; F173-M177 HydrophobicContact CE1-CG 4.11Å; F173-M177 HydrophobicContact CE1-SD 3.45Å; F173-M177 WeakPolarHBondContact CE1-SD 3.47Å; F173-M177 HydrophobicContact CE2-CG 3.97Å; F173-M177 HydrophobicContact CE2-SD 4.36Å; F173-M177 HydrophobicContact CZ-CG 3.81Å; F173-M177 HydrophobicContact CZ-SD 3.61Å; F173-M177 WeakPolarHBondContact O-CG 3.27Å; F173-M177 PolarHBondContact O-N 2.97Å; Q174-M177 PolarHBondContact O-N 3.42Å; E175-M177 VanDerWaalsContact C-N 3.33Å; E175-M177 PolarHBondContact O-N 3.48Å; M177-L180 CarbonylContact O-C 3.51Å; M177-L180 PolarHBondContact O-N 3.45Å; M177-E181 PolarHBondContact O-N 2.92Å
178	K	92.2	Very high	90.2	Very high	133 Å²	133	74.3 Å²	74.3	58%	0.578	37%	0.365	S	S	*	.	H	α-helix	trans	-66.9	-43	-179.5	-171.1	178.8	-179.5	-175.3	0	112	Q174 E175 F176 L180 E181	Q174-K178 PolarHBondContact O-N 2.95Å; E175-K178 WeakPolarHBondContact O-CB 3.28Å; E175-K178 PolarHBondContact O-N 3.5Å; E175-K178 VanDerWaalsContact O-N 3.09Å; F176-K178 VanDerWaalsContact C-N 3.33Å; F176-K178 PolarHBondContact O-N 2.88Å; K178-L180 VanDerWaalsContact C-N 3.27Å; K178-L180 PolarHBondContact O-N 3.06Å; K178-E181 VanDerWaalsContact O-CB 3.27Å; K178-E181 WeakPolarHBondContact O-CB 3.49Å; K178-E181 PolarHBondContact O-N 3.42Å
179	V	90.9	Very high	89.8	Confident	83 Å²	83	73.6 Å²	73.6	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-40.9	176	171	0	0	0	0	110.9	A163 E175 F176	A163-V179 HydrophobicContact CB-CG2 3.54Å; E175-V179 WeakPolarHBondContact O-CG2 3.5Å; E175-V179 PolarHBondContact O-N 3.47Å; F176-V179 PolarHBondContact O-N 3.09Å
180	L	90.2	Very high	89.4	Confident	41 Å²	41	70.4 Å²	70.4	22%	0.215	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	3.2	-178	-66.4	176.8	0	0	0	114	R111 L115 F176 M177 K178 K182 V183 V185	R111-L180 PolarHBondContact NH2-O 3.02Å; L115-L180 HydrophobicContact CD2-CB 3.91Å; L115-L180 HydrophobicContact CD2-CD1 3.47Å; L115-L180 VanDerWaalsContact CD2-CD1 3.47Å; L115-L180 HydrophobicContact CD2-CG 4.35Å; F176-L180 HydrophobicContact CD1-CD1 4.03Å; F176-L180 HydrophobicContact CE1-CD1 3.44Å; F176-L180 VanDerWaalsContact CE1-CD1 3.44Å; F176-L180 HydrophobicContact CE2-CD1 4.04Å; F176-L180 HydrophobicContact CZ-CD1 3.45Å; F176-L180 VanDerWaalsContact CZ-CD1 3.45Å; F176-L180 PolarHBondContact O-N 3.39Å; F176-L180 VanDerWaalsContact O-N 3.16Å; M177-L180 CarbonylContact O-C 3.51Å; M177-L180 PolarHBondContact O-N 3.45Å; K178-L180 VanDerWaalsContact C-N 3.27Å; K178-L180 PolarHBondContact O-N 3.06Å; L180-K182 VanDerWaalsContact C-N 3.26Å; L180-K182 PolarHBondContact O-N 3.39Å; L180-K182 VanDerWaalsContact O-N 3.17Å; L180-V183 HydrophobicContact CD2-CB 4.23Å; L180-V183 HydrophobicContact CD2-CG2 3.93Å; L180-V183 WeakPolarHBondContact O-CB 3.16Å; L180-V183 PolarHBondContact O-N 2.94Å; L180-V185 HydrophobicContact CB-CG2 4.23Å; L180-V185 HydrophobicContact CD1-CG2 4.39Å
181	E	87.9	Confident	88.8	Confident	135 Å²	135	73.2 Å²	73.2	63%	0.631	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-42.7	-175.2	-174.4	179.8	-154.9	0	0	112.6	R111 M177 K178 V183	R111-E181 PolarHBondContact NH2-O 2.86Å; M177-E181 PolarHBondContact O-N 2.92Å; K178-E181 VanDerWaalsContact O-CB 3.27Å; K178-E181 WeakPolarHBondContact O-CB 3.49Å; K178-E181 PolarHBondContact O-N 3.42Å; E181-V183 VanDerWaalsContact C-N 3.31Å; E181-V183 PolarHBondContact O-N 2.97Å
182	K	83.9	Confident	87.7	Confident	200 Å²	200	83.3 Å²	83.3	87%	0.87	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.3	-179.2	-62.5	179.3	-177.3	173	0	113.9	L180	L180-K182 VanDerWaalsContact C-N 3.26Å; L180-K182 PolarHBondContact O-N 3.39Å; L180-K182 VanDerWaalsContact O-N 3.17Å
183	V	87	Confident	86.2	Confident	50 Å²	50	84.7 Å²	84.7	30%	0.303	40%	0.396	S	S	.	.	S	Bend	trans	-94.8	132.4	179.4	-176	0	0	0	0	109.4	R111 L180 E181 V185 K188	R111-V183 PolarHBondContact NH1-O 3.21Å; R111-V183 PolarHBondContact NH2-O 3.08Å; L180-V183 HydrophobicContact CD2-CB 4.23Å; L180-V183 HydrophobicContact CD2-CG2 3.93Å; L180-V183 WeakPolarHBondContact O-CB 3.16Å; L180-V183 PolarHBondContact O-N 2.94Å; E181-V183 VanDerWaalsContact C-N 3.31Å; E181-V183 PolarHBondContact O-N 2.97Å; V183-V185 HydrophobicContact CB-CG2 4.09Å; V183-V185 HydrophobicContact CG1-CG2 3.91Å; V183-V185 PolarHBondContact O-N 3.21Å; V183-K188 HydrophobicContact CG1-CD 4.34Å
184	D	84.7	Confident	83.8	Confident	62 Å²	62	89.6 Å²	89.6	33%	0.332	42%	0.424	S	S	.	.			trans	-76.5	72.6	171.1	-168.1	-9.7	0	0	0	110.9	E186 Q187 K188	D184-E186 PolarHBondContact O-N 2.66Å; D184-E186 PolarHBondContact OD1-N 2.85Å; D184-Q187 PolarHBondContact OD1-N 3.1Å; D184-Q187 VanDerWaalsContact OD1-N 3.08Å; D184-Q187 WeakPolarHBondContact OD2-CG 3.48Å; D184-Q187 PolarHBondContact OD2-NE2 3.18Å; D184-Q187 PolarHBondContact OD2-OE1 2.9Å; D184-K188 WeakPolarHBondContact O-CG 3.34Å; D184-K188 PolarHBondContact O-N 3.25Å
185	V	84.9	Confident	81.4	Confident	10 Å²	10	93.1 Å²	93.1	6%	0.061	44%	0.44	C	S	.	.	H	α-helix	trans	-66.7	-28.5	176.4	178.9	0	0	0	0	111.2	L115 L180 V183 Q187 K188 M189	L115-V185 HydrophobicContact CD2-CB 4.32Å; L115-V185 HydrophobicContact CD2-CG1 4.03Å; L115-V185 HydrophobicContact CD2-CG2 3.95Å; L115-V185 HydrophobicContact CG-CG1 4.43Å; L180-V185 HydrophobicContact CB-CG2 4.23Å; L180-V185 HydrophobicContact CD1-CG2 4.39Å; V183-V185 HydrophobicContact CB-CG2 4.09Å; V183-V185 HydrophobicContact CG1-CG2 3.91Å; V183-V185 PolarHBondContact O-N 3.21Å; V185-Q187 PolarHBondContact O-N 2.77Å; V185-K188 PolarHBondContact O-N 3.34Å; V185-M189 HydrophobicContact CG1-CB 4.5Å; V185-M189 HydrophobicContact CG1-CG 3.87Å; V185-M189 HydrophobicContact CG1-SD 3.49Å; V185-M189 WeakPolarHBondContact CG1-SD 3.39Å; V185-M189 WeakPolarHBondContact O-CB 3.48Å; V185-M189 PolarHBondContact O-N 2.88Å
186	E	81.3	Confident	80.7	Confident	37 Å²	37	97.6 Å²	97.6	17%	0.173	46%	0.461	C	S	.	.	H	α-helix	trans	-59.4	-47.6	-178.8	-58.4	175.2	175.1	0	0	111	I93 K98 R111 D184	I93-E186 HydrophobicContact CD1-CB 3.71Å; I93-E186 HydrophobicContact CD1-CG 3.55Å; I93-E186 HydrophobicContact CG1-CB 4.35Å; K98-E186 IonicContact NZ-OE2 3.24Å; K98-E186 PolarHBondContact NZ-OE2 3.39Å; R111-E186 HydrophobicContact CB-CG 4.21Å; R111-E186 HydrophobicContact CG-CG 4.33Å; D184-E186 PolarHBondContact O-N 2.66Å; D184-E186 PolarHBondContact OD1-N 2.85Å
187	Q	80.3	Confident	79.9	Confident	140 Å²	140	101.5 Å²	101.5	65%	0.654	48%	0.479	S	S	*	.	H	α-helix	trans	-75.1	-41.3	176.1	-67.2	-172.2	9.4	0	0	112.2	D184 V185 M189 S190	D184-Q187 PolarHBondContact OD1-N 3.1Å; D184-Q187 VanDerWaalsContact OD1-N 3.08Å; D184-Q187 WeakPolarHBondContact OD2-CG 3.48Å; D184-Q187 PolarHBondContact OD2-NE2 3.18Å; D184-Q187 PolarHBondContact OD2-OE1 2.9Å; V185-Q187 PolarHBondContact O-N 2.77Å; Q187-M189 PolarHBondContact O-N 3.49Å; Q187-S190 WeakPolarHBondContact O-CB 3.24Å; Q187-S190 PolarHBondContact O-N 3.36Å; Q187-S190 PolarHBondContact O-OG 2.79Å
188	K	85.2	Confident	79.2	Confident	170 Å²	170	103.7 Å²	103.7	74%	0.739	49%	0.489	S	S	*	.	H	α-helix	trans	-67	-34.3	-176.3	-73.8	-171.6	177.8	-149.3	0	113.7	V183 D184 V185 S190	V183-K188 HydrophobicContact CG1-CD 4.34Å; D184-K188 WeakPolarHBondContact O-CG 3.34Å; D184-K188 PolarHBondContact O-N 3.25Å; V185-K188 PolarHBondContact O-N 3.34Å; K188-S190 VanDerWaalsContact C-N 3.28Å; K188-S190 PolarHBondContact O-N 3.23Å
189	M	85.1	Confident	78.5	Confident	33 Å²	33	101.9 Å²	101.9	16%	0.163	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	36.9	175.6	-64.6	-174.8	73.4	0	0	111.6	F90 K114 F117 A118 V185 Q187	F90-M189 WeakPolarHBondContact CA-O 3.45Å; F90-M189 HydrophobicContact CE1-CE 4.27Å; K114-M189 HydrophobicContact CB-SD 4.17Å; K114-M189 HydrophobicContact CD-CB 4.39Å; K114-M189 PolarHBondContact NZ-O 2.73Å; K114-M189 WeakPolarHBondContact O-CE 3.19Å; F117-M189 HydrophobicContact CD1-CE 3.86Å; A118-M189 HydrophobicContact CB-CE 3.91Å; A118-M189 HydrophobicContact CB-SD 3.92Å; V185-M189 HydrophobicContact CG1-CB 4.5Å; V185-M189 HydrophobicContact CG1-CG 3.87Å; V185-M189 HydrophobicContact CG1-SD 3.49Å; V185-M189 WeakPolarHBondContact CG1-SD 3.39Å; V185-M189 WeakPolarHBondContact O-CB 3.48Å; V185-M189 PolarHBondContact O-N 2.88Å; Q187-M189 PolarHBondContact O-N 3.49Å
190	S	85.1	Confident	77.7	Confident	33 Å²	33	103.1 Å²	103.1	23%	0.231	48%	0.483	C	S	.	.			trans	-118	133	176.3	72.9	0	0	0	0	111.7	F90 Q187 K188	F90-S190 CarbonylContact O-C 3.52Å; F90-S190 VanDerWaalsContact O-CA 3.29Å; F90-S190 WeakPolarHBondContact O-CA 3.44Å; Q187-S190 WeakPolarHBondContact O-CB 3.24Å; Q187-S190 PolarHBondContact O-N 3.36Å; Q187-S190 PolarHBondContact O-OG 2.79Å; K188-S190 VanDerWaalsContact C-N 3.28Å; K188-S190 PolarHBondContact O-N 3.23Å
191	I	81.4	Confident	76.9	Confident	83 Å²	83	107.3 Å²	107.3	43%	0.426	50%	0.5	S	S	.	.			trans	-106.9	121	173.6	-61.6	172.8	0	0	0	107.3	F90 F193	F90-I191 HydrophobicContact CB-CB 4.4Å; F90-I191 HydrophobicContact CB-CD1 3.92Å; F90-I191 HydrophobicContact CB-CG1 4.04Å; F90-I191 HydrophobicContact CD1-CD1 4.39Å; F90-I191 HydrophobicContact CG-CD1 4.09Å; F90-I191 PolarHBondContact O-N 2.82Å; I191-F193 HydrophobicContact CB-CE2 4.48Å; I191-F193 HydrophobicContact CG2-CZ 4.47Å; I191-F193 WeakPolarHBondContact O-CD2 3.46Å; I191-F193 PolarHBondContact O-N 3.45Å
192	R	73.6	Confident	76.1	Confident	220 Å²	220	105.3 Å²	105.3	83%	0.83	49%	0.491	S	S	*	.			trans	-80.4	102.6	170.4	-65.7	-174.6	-176.4	-176.9	0.7	108.2	L194	R192-L194 PolarHBondContact O-N 3.14Å
193	F	64.8	Low	75.5	Confident	53 Å²	53	98 Å²	98	23%	0.232	46%	0.462	C	S	.	.			trans	-65	107.8	169.4	-62	-85.7	0	0	0	107.7	F23 L31 I191 H195	F23-F193 HydrophobicContact CE1-CD2 4.07Å; F23-F193 AromaticContact CE1-CE2 3.55Å; F23-F193 HydrophobicContact CE1-CE2 3.55Å; F23-F193 AromaticContact CE1-CZ 3.9Å; F23-F193 HydrophobicContact CE1-CZ 3.9Å; F23-F193 HydrophobicContact CZ-CE2 4.06Å; F23-F193 HydrophobicContact CZ-CZ 4.1Å; L31-F193 HydrophobicContact CD2-CE1 4.28Å; I191-F193 HydrophobicContact CB-CE2 4.48Å; I191-F193 HydrophobicContact CG2-CZ 4.47Å; I191-F193 WeakPolarHBondContact O-CD2 3.46Å; I191-F193 PolarHBondContact O-N 3.45Å; F193-H195 PolarHBondContact O-N 2.73Å
194	L	44.2	Very low	74.5	Confident	149 Å²	149	102 Å²	102	78%	0.78	48%	0.475	S	S	*	.			trans	-55.4	121.8	174.4	-77.7	156	0	0	0	108.6	R30 R192	R30-L194 PolarHBondContact NH1-O 3.02Å; R192-L194 PolarHBondContact O-N 3.14Å
195	H	43.7	Very low	73.6	Confident	234 Å²	234	105.6 Å²	105.6	100%	1.083	49%	0.488	S	S	*	.			trans	-51.6	0	177.1	-66.9	-65.2	0	0	0	111.7	F193	F193-H195 PolarHBondContact O-N 2.73Å

Retrieved 195 of 195 residues in 118.8 ms (Link to these results)

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