A0A087YBB6_POEFO Loading...

Allograft inflammatory factor 1-like

AlphaFold DB , UniProt , Accession A0A087YBB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 148 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	38.6	Very low	52.1	Low	226 Å²	226	134.7 Å²	134.7	100%	1.113	75%	0.75	S	S	*	*				0	119.9	0	-62.4	-57.3	-178.2	0	0	108.3	S3	M1-S3 PolarHBondContact O-N 3.21Å
2	P	44.1	Very low	54.2	Low	129 Å²	129	127.3 Å²	127.3	84%	0.838	72%	0.719	S	S	*	*			trans	-68.1	123.8	175.6	29	-30.6	0	0	0	108.4	N4	P2-N4 PolarHBondContact O-N 3.41Å; P2-N4 VanDerWaalsContact O-N 3.08Å
3	S	45.8	Very low	56.1	Low	111 Å²	111	125.9 Å²	125.9	78%	0.776	70%	0.7	S	S	*	*			trans	-66.1	107.4	174.9	-83.9	0	0	0	0	108.8	M1 K5	M1-S3 PolarHBondContact O-N 3.21Å; S3-K5 VanDerWaalsContact C-N 3.3Å; S3-K5 PolarHBondContact O-N 3.1Å
4	N	45.8	Very low	57.9	Low	158 Å²	158	119.6 Å²	119.6	85%	0.845	68%	0.678	S	S	*	*			trans	-68.3	91.4	171.1	-158.7	10.7	0	0	0	107.7	P2 N6	P2-N4 PolarHBondContact O-N 3.41Å; P2-N4 VanDerWaalsContact O-N 3.08Å; N4-N6 VanDerWaalsContact C-N 3.29Å; N4-N6 PolarHBondContact O-N 3.3Å
5	K	51	Low	59.7	Low	174 Å²	174	117.8 Å²	117.8	76%	0.757	67%	0.665	S	S	*	*			trans	-70.4	91.2	175.6	-77.5	-178	179	175.2	0	107.5	S3 M7	S3-K5 VanDerWaalsContact C-N 3.3Å; S3-K5 PolarHBondContact O-N 3.1Å; K5-M7 VanDerWaalsContact C-N 3.28Å; K5-M7 PolarHBondContact O-N 3Å
6	N	47.7	Very low	61	Low	157 Å²	157	114.9 Å²	114.9	84%	0.84	65%	0.647	S	S	*	*			trans	-64.9	91.7	169.2	-155	3.8	0	0	0	107.7	N4 Q8	N4-N6 VanDerWaalsContact C-N 3.29Å; N4-N6 PolarHBondContact O-N 3.3Å; N6-Q8 PolarHBondContact O-N 3.19Å
7	M	48.8	Very low	62.3	Low	93 Å²	93	111.2 Å²	111.2	46%	0.458	62%	0.622	S	S	.	*			trans	-75.4	93.9	-180	-67.3	-163.3	83.4	0	0	108.2	K5 G9 K11 A12	K5-M7 VanDerWaalsContact C-N 3.28Å; K5-M7 PolarHBondContact O-N 3Å; M7-G9 PolarHBondContact O-N 3.05Å; M7-K11 HydrophobicContact CE-CB 3.64Å; M7-A12 HydrophobicContact CB-CB 4.38Å
8	Q	49.8	Very low	63.6	Low	167 Å²	167	109.8 Å²	109.8	78%	0.78	61%	0.61	S	S	*	*			trans	-51.9	134.3	167.1	-166.1	173.3	37.3	0	0	108.7	N6 G10 K11	N6-Q8 PolarHBondContact O-N 3.19Å; Q8-G10 PolarHBondContact O-N 3.05Å; Q8-K11 PolarHBondContact O-N 2.85Å
9	G	56.3	Low	64.8	Low	54 Å²	54	108.8 Å²	108.8	56%	0.557	60%	0.6	S	S	*	*	H	α-helix	trans	-47.4	-26.2	-163.2	0	0	0	0	0	116.6	M7 K11 F13	M7-G9 PolarHBondContact O-N 3.05Å; G9-K11 PolarHBondContact O-N 3.36Å; G9-F13 WeakPolarHBondContact O-CB 3.18Å; G9-F13 PolarHBondContact O-N 2.86Å; G9-F13 VanDerWaalsContact O-N 3.07Å
10	G	69.8	Low	65.9	Low	60 Å²	60	104.4 Å²	104.4	62%	0.619	58%	0.575	S	S	*	*	H	α-helix	trans	-63	-36.2	174	0	0	0	0	0	114.8	Q8 G14	Q8-G10 PolarHBondContact O-N 3.05Å; G10-G14 PolarHBondContact O-N 2.69Å; G10-G14 VanDerWaalsContact O-N 3.11Å
11	K	75.7	Confident	66.9	Low	153 Å²	153	104.1 Å²	104.1	67%	0.665	57%	0.565	S	S	*	*	H	α-helix	trans	-76.5	-38.9	-179.1	-66.3	-175.6	179.1	178.4	0	112.5	M7 Q8 G9 L15	M7-K11 HydrophobicContact CE-CB 3.64Å; Q8-K11 PolarHBondContact O-N 2.85Å; G9-K11 PolarHBondContact O-N 3.36Å; K11-L15 PolarHBondContact O-N 2.8Å; K11-L15 VanDerWaalsContact O-N 3.14Å
12	A	77.7	Confident	69.4	Low	46 Å²	46	98 Å²	98	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-69.6	-44.5	178.2	0	0	0	0	0	111.1	M7 L15 L16	M7-A12 HydrophobicContact CB-CB 4.38Å; A12-L15 PolarHBondContact O-N 3.41Å; A12-L16 PolarHBondContact O-N 3.43Å
13	F	78.8	Confident	71.7	Confident	109 Å²	109	98 Å²	98	48%	0.478	52%	0.521	S	S	.	.	H	α-helix	trans	-61	-44.8	175.5	-179.3	-99.6	0	0	0	112.2	G9 L15 L16 K17	G9-F13 WeakPolarHBondContact O-CB 3.18Å; G9-F13 PolarHBondContact O-N 2.86Å; G9-F13 VanDerWaalsContact O-N 3.07Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.33Å; F13-L16 PolarHBondContact O-N 3.18Å; F13-K17 HydrophobicContact CD1-CG 4.39Å; F13-K17 HydrophobicContact CE1-CG 3.92Å; F13-K17 HydrophobicContact CE2-CG 4.33Å; F13-K17 HydrophobicContact CZ-CD 4.34Å; F13-K17 HydrophobicContact CZ-CG 3.89Å; F13-K17 PolarHBondContact O-N 3.06Å
14	G	81.3	Confident	73.9	Confident	38 Å²	38	93.1 Å²	93.1	39%	0.392	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-41.4	176.2	0	0	0	0	0	113	G10 K17 E18	G10-G14 PolarHBondContact O-N 2.69Å; G10-G14 VanDerWaalsContact O-N 3.11Å; G14-K17 PolarHBondContact O-N 3.44Å; G14-E18 WeakPolarHBondContact O-CB 3.23Å; G14-E18 PolarHBondContact O-N 3.1Å
15	L	84.3	Confident	76.2	Confident	92 Å²	92	90 Å²	90	48%	0.482	47%	0.466	S	S	.	.	H	α-helix	trans	-65.2	-40	176	-174.3	66.1	0	0	0	112.1	K11 A12 F13 E18 Q19	K11-L15 PolarHBondContact O-N 2.8Å; K11-L15 VanDerWaalsContact O-N 3.14Å; A12-L15 PolarHBondContact O-N 3.41Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.33Å; L15-E18 PolarHBondContact O-N 3.01Å; L15-Q19 WeakPolarHBondContact O-CG 3.21Å; L15-Q19 PolarHBondContact O-N 3.11Å
16	L	81.3	Confident	78.3	Confident	72 Å²	72	87.9 Å²	87.9	38%	0.377	46%	0.459	S	S	.	.	H	α-helix	trans	-63.5	-45.2	177.6	-174.9	63.6	0	0	0	111.5	A12 F13 E18 Q19 Q20 D61	A12-L16 PolarHBondContact O-N 3.43Å; F13-L16 PolarHBondContact O-N 3.18Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.46Å; L16-Q19 PolarHBondContact O-N 2.71Å; L16-Q20 WeakPolarHBondContact O-CB 3.22Å; L16-Q20 PolarHBondContact O-N 3.48Å; L16-D61 HydrophobicContact CD2-CB 3.82Å
17	K	82.1	Confident	80.6	Confident	52 Å²	52	81.7 Å²	81.7	23%	0.226	43%	0.426	C	S	.	.	H	α-helix	trans	-63.9	-37.8	175.1	-73	-61.5	179.7	-162	0	112.7	F13 G14 Q20 R21 D58 D61	F13-K17 HydrophobicContact CD1-CG 4.39Å; F13-K17 HydrophobicContact CE1-CG 3.92Å; F13-K17 HydrophobicContact CE2-CG 4.33Å; F13-K17 HydrophobicContact CZ-CD 4.34Å; F13-K17 HydrophobicContact CZ-CG 3.89Å; F13-K17 PolarHBondContact O-N 3.06Å; G14-K17 PolarHBondContact O-N 3.44Å; K17-Q20 VanDerWaalsContact CD-OE1 3.29Å; K17-Q20 VanDerWaalsContact NZ-OE1 3.11Å; K17-Q20 WeakPolarHBondContact O-CB 3.39Å; K17-Q20 PolarHBondContact O-N 3.3Å; K17-R21 WeakPolarHBondContact O-CG 3.42Å; K17-R21 PolarHBondContact O-N 3.16Å; K17-D58 PolarHBondContact NZ-O 3.5Å; K17-D61 VanDerWaalsContact CE-OD1 3.27Å; K17-D61 WeakPolarHBondContact CE-OD1 3.39Å; K17-D61 IonicContact NZ-OD1 3.84Å; K17-D61 PolarHBondContact NZ-OD1 2.54Å
18	E	85.8	Confident	82.9	Confident	85 Å²	85	77.5 Å²	77.5	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-45.3	174.8	-178.8	55	-151.2	0	0	111.6	G14 L15 L16 Q20 R21 Q22	G14-E18 WeakPolarHBondContact O-CB 3.23Å; G14-E18 PolarHBondContact O-N 3.1Å; L15-E18 PolarHBondContact O-N 3.01Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.46Å; E18-Q20 VanDerWaalsContact C-N 3.29Å; E18-Q20 PolarHBondContact O-N 3.29Å; E18-R21 PolarHBondContact O-N 3.12Å; E18-Q22 WeakPolarHBondContact O-CG 3.34Å; E18-Q22 PolarHBondContact O-N 3.08Å; E18-Q22 PolarHBondContact OE1-NE2 3.22Å
19	Q	87.5	Confident	85.1	Confident	92 Å²	92	75.7 Å²	75.7	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-59.7	-40.6	174.5	-74.7	-179.9	8.2	0	0	112.1	L15 L16 Q22 K23	L15-Q19 WeakPolarHBondContact O-CG 3.21Å; L15-Q19 PolarHBondContact O-N 3.11Å; L16-Q19 PolarHBondContact O-N 2.71Å; Q19-Q22 PolarHBondContact O-N 3.23Å; Q19-K23 WeakPolarHBondContact O-CG 3.43Å; Q19-K23 PolarHBondContact O-N 3Å
20	Q	85.9	Confident	87	Confident	20 Å²	20	77.6 Å²	77.6	9%	0.093	39%	0.389	C	S	.	.	H	α-helix	trans	-61	-49.5	174.9	-174.1	175.2	34.8	0	0	110.6	L16 K17 E18 Q22 K23 L24 D58	L16-Q20 WeakPolarHBondContact O-CB 3.22Å; L16-Q20 PolarHBondContact O-N 3.48Å; K17-Q20 VanDerWaalsContact CD-OE1 3.29Å; K17-Q20 VanDerWaalsContact NZ-OE1 3.11Å; K17-Q20 WeakPolarHBondContact O-CB 3.39Å; K17-Q20 PolarHBondContact O-N 3.3Å; E18-Q20 VanDerWaalsContact C-N 3.29Å; E18-Q20 PolarHBondContact O-N 3.29Å; Q20-Q22 VanDerWaalsContact C-N 3.31Å; Q20-Q22 PolarHBondContact O-N 3.16Å; Q20-K23 WeakPolarHBondContact O-CB 3.4Å; Q20-K23 PolarHBondContact O-N 3.42Å; Q20-L24 WeakPolarHBondContact O-CG 3.15Å; Q20-L24 PolarHBondContact O-N 3.12Å; Q20-L24 VanDerWaalsContact O-N 3.09Å; Q20-D58 PolarHBondContact NE2-OD1 2.85Å; Q20-D58 PolarHBondContact NE2-OD2 3.18Å
21	R	87.3	Confident	88.3	Confident	98 Å²	98	75.3 Å²	75.3	37%	0.37	36%	0.362	S	S	.	.	H	α-helix	trans	-58.7	-41.7	177.2	-73.1	-169.6	93.4	-110.1	1.8	112.4	K17 E18 K23 L24 E25 E48 N52	K17-R21 WeakPolarHBondContact O-CG 3.42Å; K17-R21 PolarHBondContact O-N 3.16Å; E18-R21 PolarHBondContact O-N 3.12Å; R21-K23 PolarHBondContact O-N 3.48Å; R21-L24 PolarHBondContact O-N 3.28Å; R21-E25 PolarHBondContact O-N 2.95Å; R21-E48 IonicContact NH2-OE1 2.78Å; R21-N52 PolarHBondContact NH2-OD1 3.46Å
22	Q	90.9	Very high	89.2	Confident	97 Å²	97	72.4 Å²	72.4	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-42.8	177.1	-72.4	174.5	13.8	0	0	111.9	E18 Q19 Q20 L24 E25 E26	E18-Q22 WeakPolarHBondContact O-CG 3.34Å; E18-Q22 PolarHBondContact O-N 3.08Å; E18-Q22 PolarHBondContact OE1-NE2 3.22Å; Q19-Q22 PolarHBondContact O-N 3.23Å; Q20-Q22 VanDerWaalsContact C-N 3.31Å; Q20-Q22 PolarHBondContact O-N 3.16Å; Q22-L24 VanDerWaalsContact C-N 3.33Å; Q22-L24 PolarHBondContact O-N 2.73Å; Q22-E25 VanDerWaalsContact O-CB 3.31Å; Q22-E25 WeakPolarHBondContact O-CB 3.49Å; Q22-E25 PolarHBondContact O-N 2.65Å; Q22-E25 VanDerWaalsContact O-N 3.17Å; Q22-E26 WeakPolarHBondContact O-CG 3.4Å; Q22-E26 PolarHBondContact O-N 3.35Å
23	K	91.5	Very high	90	Very high	131 Å²	131	77 Å²	77	57%	0.57	37%	0.367	S	S	*	.	H	α-helix	trans	-60.9	-41.2	174.6	-71.4	174.6	-179.1	178.5	0	112.4	Q19 Q20 R21 E25 E26 I27	Q19-K23 WeakPolarHBondContact O-CG 3.43Å; Q19-K23 PolarHBondContact O-N 3Å; Q20-K23 WeakPolarHBondContact O-CB 3.4Å; Q20-K23 PolarHBondContact O-N 3.42Å; R21-K23 PolarHBondContact O-N 3.48Å; K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E26 PolarHBondContact O-N 3.05Å; K23-I27 WeakPolarHBondContact O-CG1 3.35Å; K23-I27 PolarHBondContact O-N 2.87Å; K23-I27 VanDerWaalsContact O-N 3.16Å
24	L	92.4	Very high	90.8	Very high	8 Å²	8	75 Å²	75	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-67.2	-35.7	176.9	-55	177.7	0	0	0	111.5	Q20 R21 Q22 I27 N28 K51 Y54 A55 Y103	Q20-L24 WeakPolarHBondContact O-CG 3.15Å; Q20-L24 PolarHBondContact O-N 3.12Å; Q20-L24 VanDerWaalsContact O-N 3.09Å; R21-L24 PolarHBondContact O-N 3.28Å; Q22-L24 VanDerWaalsContact C-N 3.33Å; Q22-L24 PolarHBondContact O-N 2.73Å; L24-I27 PolarHBondContact O-N 3.38Å; L24-N28 PolarHBondContact O-N 3.41Å; L24-K51 HydrophobicContact CB-CD 3.94Å; L24-K51 HydrophobicContact CB-CG 3.68Å; L24-K51 HydrophobicContact CD1-CG 3.84Å; L24-K51 HydrophobicContact CG-CG 4.42Å; L24-Y54 HydrophobicContact CD1-CD1 4.08Å; L24-Y54 HydrophobicContact CD2-CD1 4.01Å; L24-Y54 HydrophobicContact CD2-CE1 4.05Å; L24-A55 HydrophobicContact CD1-CB 4.37Å; L24-Y103 HydrophobicContact CB-CD1 4.29Å; L24-Y103 HydrophobicContact CB-CE1 4.15Å; L24-Y103 HydrophobicContact CD2-CD1 3.65Å; L24-Y103 HydrophobicContact CD2-CD2 3.94Å; L24-Y103 HydrophobicContact CD2-CE1 4.28Å; L24-Y103 HydrophobicContact CD2-CG 3.47Å; L24-Y103 VanDerWaalsContact CD2-CG 3.47Å
25	E	94.1	Very high	91.4	Very high	92 Å²	92	80.4 Å²	80.4	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-44.6	174.7	-166.3	69.6	-156.4	0	0	111.9	R21 Q22 K23 I27 N28 K29 K51	R21-E25 PolarHBondContact O-N 2.95Å; Q22-E25 VanDerWaalsContact O-CB 3.31Å; Q22-E25 WeakPolarHBondContact O-CB 3.49Å; Q22-E25 PolarHBondContact O-N 2.65Å; Q22-E25 VanDerWaalsContact O-N 3.17Å; K23-E25 VanDerWaalsContact C-N 3.32Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.14Å; E25-N28 WeakPolarHBondContact O-CB 3.38Å; E25-N28 PolarHBondContact O-N 3.34Å; E25-N28 VanDerWaalsContact O-N 3.16Å; E25-K29 PolarHBondContact O-N 2.9Å; E25-K51 IonicContact OE2-NZ 3.48Å; E25-K51 PolarHBondContact OE2-NZ 3.1Å
26	E	95.6	Very high	91.9	Very high	129 Å²	129	82.8 Å²	82.8	60%	0.603	38%	0.383	S	S	*	.	H	α-helix	trans	-59.6	-44.8	176	-72.7	176.2	172.6	0	0	111	Q22 K23 N28 K29 E30	Q22-E26 WeakPolarHBondContact O-CG 3.4Å; Q22-E26 PolarHBondContact O-N 3.35Å; K23-E26 PolarHBondContact O-N 3.05Å; E26-N28 VanDerWaalsContact C-N 3.33Å; E26-N28 PolarHBondContact O-N 3.11Å; E26-K29 WeakPolarHBondContact O-CB 3.39Å; E26-K29 PolarHBondContact O-N 3.11Å; E26-E30 PolarHBondContact O-N 3.17Å; E26-E30 VanDerWaalsContact O-N 3.08Å
27	I	95.9	Very high	92.4	Very high	28 Å²	28	79.9 Å²	79.9	14%	0.144	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-41.3	175.6	-65.4	166.1	0	0	0	110.8	K23 L24 E25 K29 E30 Y31 Y103 R104	K23-I27 WeakPolarHBondContact O-CG1 3.35Å; K23-I27 PolarHBondContact O-N 2.87Å; K23-I27 VanDerWaalsContact O-N 3.16Å; L24-I27 PolarHBondContact O-N 3.38Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.14Å; I27-K29 VanDerWaalsContact C-N 3.29Å; I27-K29 PolarHBondContact O-N 2.89Å; I27-E30 WeakPolarHBondContact O-CB 3.41Å; I27-E30 PolarHBondContact O-N 2.87Å; I27-Y31 HydrophobicContact CG2-CD2 3.78Å; I27-Y31 HydrophobicContact CG2-CE2 3.54Å; I27-Y31 WeakPolarHBondContact O-CD2 3.3Å; I27-Y31 PolarHBondContact O-N 3Å; I27-Y31 VanDerWaalsContact O-N 3.12Å; I27-Y103 HydrophobicContact CB-CD1 3.86Å; I27-Y103 HydrophobicContact CB-CE1 4.12Å; I27-Y103 HydrophobicContact CD1-CD1 3.9Å; I27-Y103 HydrophobicContact CG1-CD1 4.49Å; I27-Y103 HydrophobicContact CG2-CD1 3.58Å; I27-Y103 HydrophobicContact CG2-CE1 3.88Å; I27-R104 HydrophobicContact CG2-CG 3.81Å
28	N	96.3	Very high	92.8	Very high	5 Å²	5	86.4 Å²	86.4	3%	0.027	39%	0.39	C	S	.	.	H	α-helix	trans	-60	-41	175.5	-80	-4.3	0	0	0	111.9	L24 E25 E26 E30 Y31 L32 L47 Y103	L24-N28 PolarHBondContact O-N 3.41Å; E25-N28 WeakPolarHBondContact O-CB 3.38Å; E25-N28 PolarHBondContact O-N 3.34Å; E25-N28 VanDerWaalsContact O-N 3.16Å; E26-N28 VanDerWaalsContact C-N 3.33Å; E26-N28 PolarHBondContact O-N 3.11Å; N28-E30 VanDerWaalsContact C-N 3.34Å; N28-E30 PolarHBondContact O-N 3.15Å; N28-Y31 PolarHBondContact O-N 3.07Å; N28-Y31 VanDerWaalsContact O-N 3.16Å; N28-L32 WeakPolarHBondContact O-CG 3.38Å; N28-L32 PolarHBondContact O-N 3.39Å; N28-L47 HydrophobicContact CB-CB 4.31Å; N28-L47 HydrophobicContact CB-CD1 4.38Å; N28-L47 PolarHBondContact ND2-O 3.45Å; N28-L47 VanDerWaalsContact ND2-O 3.13Å; N28-Y103 VanDerWaalsContact OD1-CE1 3.23Å; N28-Y103 WeakPolarHBondContact OD1-CE1 3.32Å; N28-Y103 PolarHBondContact OD1-OH 3.13Å
29	K	96.5	Very high	93.1	Very high	128 Å²	128	89.4 Å²	89.4	56%	0.557	41%	0.409	S	S	*	.	H	α-helix	trans	-61.8	-41.6	176.5	-171.3	-179.2	174.3	-173	0	111.9	E25 E26 I27 Y31 L32 E33	E25-K29 PolarHBondContact O-N 2.9Å; E26-K29 WeakPolarHBondContact O-CB 3.39Å; E26-K29 PolarHBondContact O-N 3.11Å; I27-K29 VanDerWaalsContact C-N 3.29Å; I27-K29 PolarHBondContact O-N 2.89Å; K29-Y31 VanDerWaalsContact C-N 3.31Å; K29-Y31 PolarHBondContact O-N 3.3Å; K29-L32 PolarHBondContact O-N 3.08Å; K29-E33 WeakPolarHBondContact CE-OE1 3.33Å; K29-E33 PolarHBondContact O-N 3.41Å; K29-E33 VanDerWaalsContact O-N 3.16Å
30	E	96.7	Very high	93.3	Very high	95 Å²	95	88.4 Å²	88.4	44%	0.444	40%	0.404	S	S	.	.	H	α-helix	trans	-58.1	-43.4	173.2	-65.5	173.4	-173.1	0	0	111.6	E26 I27 N28 L32 E33 D34 R104	E26-E30 PolarHBondContact O-N 3.17Å; E26-E30 VanDerWaalsContact O-N 3.08Å; I27-E30 WeakPolarHBondContact O-CB 3.41Å; I27-E30 PolarHBondContact O-N 2.87Å; N28-E30 VanDerWaalsContact C-N 3.34Å; N28-E30 PolarHBondContact O-N 3.15Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.3Å; E30-E33 PolarHBondContact O-N 2.97Å; E30-D34 PolarHBondContact O-N 2.94Å; E30-R104 VanDerWaalsContact CD-NH2 3.33Å; E30-R104 IonicContact OE1-NH2 3.51Å; E30-R104 PolarHBondContact OE1-NH2 3.36Å; E30-R104 VanDerWaalsContact OE1-NH2 3.11Å; E30-R104 IonicContact OE2-CZ 2.69Å; E30-R104 IonicContact OE2-NE 2.71Å; E30-R104 PolarHBondContact OE2-NE 3.3Å; E30-R104 IonicContact OE2-NH2 3.11Å; E30-R104 PolarHBondContact OE2-NH2 3.11Å
31	Y	96.2	Very high	93.5	Very high	12 Å²	12	95.6 Å²	95.6	5%	0.047	44%	0.438	C	S	.	.	H	α-helix	trans	-66.6	-32.1	177.9	-82	-73	0	0	0	113.6	I27 N28 K29 E33 Y37 L47 R104 V107	I27-Y31 HydrophobicContact CG2-CD2 3.78Å; I27-Y31 HydrophobicContact CG2-CE2 3.54Å; I27-Y31 WeakPolarHBondContact O-CD2 3.3Å; I27-Y31 PolarHBondContact O-N 3Å; I27-Y31 VanDerWaalsContact O-N 3.12Å; N28-Y31 PolarHBondContact O-N 3.07Å; N28-Y31 VanDerWaalsContact O-N 3.16Å; K29-Y31 VanDerWaalsContact C-N 3.31Å; K29-Y31 PolarHBondContact O-N 3.3Å; Y31-E33 VanDerWaalsContact C-N 3.33Å; Y31-Y37 AromaticContact CD1-CD2 3.78Å; Y31-Y37 HydrophobicContact CD1-CD2 3.78Å; Y31-Y37 AromaticContact CD1-CE2 3.44Å; Y31-Y37 HydrophobicContact CD1-CE2 3.44Å; Y31-Y37 VanDerWaalsContact CD1-CE2 3.44Å; Y31-Y37 AromaticContact CD1-CZ 3.93Å; Y31-Y37 HydrophobicContact CE1-CD2 4.4Å; Y31-Y37 AromaticContact CE1-CE2 3.6Å; Y31-Y37 HydrophobicContact CE1-CE2 3.6Å; Y31-Y37 AromaticContact CE1-CZ 3.8Å; Y31-L47 HydrophobicContact CD2-CD2 4.43Å; Y31-L47 HydrophobicContact CG-CD2 4.31Å; Y31-R104 HydrophobicContact CE2-CG 4.31Å; Y31-R104 PolarHBondContact OH-O 2.9Å; Y31-R104 VanDerWaalsContact OH-O 3.1Å; Y31-V107 HydrophobicContact CD1-CG1 4.06Å; Y31-V107 HydrophobicContact CD2-CG1 3.97Å; Y31-V107 HydrophobicContact CE1-CG1 3.87Å; Y31-V107 HydrophobicContact CE2-CB 3.93Å; Y31-V107 HydrophobicContact CE2-CG1 3.75Å; Y31-V107 HydrophobicContact CE2-CG2 4.32Å; Y31-V107 HydrophobicContact CG-CG1 4.13Å
32	L	95.1	Very high	93.8	Very high	91 Å²	91	92.9 Å²	92.9	48%	0.476	44%	0.441	S	S	.	.	H	α-helix	trans	-69.8	-31.2	175.5	-71.5	172.4	0	0	0	112.6	N28 K29 E30 L43 A44 L47	N28-L32 WeakPolarHBondContact O-CG 3.38Å; N28-L32 PolarHBondContact O-N 3.39Å; K29-L32 PolarHBondContact O-N 3.08Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.3Å; L32-L43 HydrophobicContact CD2-CB 4.45Å; L32-L43 HydrophobicContact CD2-CD2 4.04Å; L32-L43 HydrophobicContact CD2-CG 4.02Å; L32-A44 HydrophobicContact CD2-CB 3.96Å; L32-L47 HydrophobicContact CD2-CD1 3.94Å; L32-L47 HydrophobicContact CG-CD1 3.88Å
33	E	95.4	Very high	94	Very high	142 Å²	142	89 Å²	89	66%	0.664	42%	0.423	S	S	*	.	H	α-helix	trans	-87.3	-18.9	179.5	-67	177.4	-175.9	0	0	112.7	K29 E30 Y31 Q35	K29-E33 WeakPolarHBondContact CE-OE1 3.33Å; K29-E33 PolarHBondContact O-N 3.41Å; K29-E33 VanDerWaalsContact O-N 3.16Å; E30-E33 PolarHBondContact O-N 2.97Å; Y31-E33 VanDerWaalsContact C-N 3.33Å; E33-Q35 PolarHBondContact O-N 2.83Å
34	D	95.3	Very high	94.1	Very high	69 Å²	69	85.5 Å²	85.5	37%	0.369	42%	0.418	S	S	.	.			trans	-68.2	121.1	-179.3	-174.5	-15	0	0	0	112.1	E30 K36 Y37	E30-D34 PolarHBondContact O-N 2.94Å; D34-K36 PolarHBondContact O-N 3.3Å; D34-K36 WeakPolarHBondContact OD1-CB 3.39Å; D34-K36 PolarHBondContact OD1-N 3.4Å; D34-Y37 HydrophobicContact CB-CD2 4.04Å; D34-Y37 PolarHBondContact O-N 2.94Å; D34-Y37 VanDerWaalsContact O-N 3.1Å
35	Q	93.6	Very high	94.2	Very high	150 Å²	150	92.5 Å²	92.5	70%	0.701	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-54.6	-28.7	178.5	-174.3	177.2	-0.4	0	0	113	E33 Y37 R38	E33-Q35 PolarHBondContact O-N 2.83Å; Q35-Y37 PolarHBondContact O-N 3.48Å; Q35-R38 PolarHBondContact O-N 3.19Å
36	K	93.9	Very high	94.2	Very high	142 Å²	142	91.9 Å²	91.9	62%	0.617	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-62	-29.3	-179.7	-177.9	-177.9	171	-158.1	0	113.6	D34	D34-K36 PolarHBondContact O-N 3.3Å; D34-K36 WeakPolarHBondContact OD1-CB 3.39Å; D34-K36 PolarHBondContact OD1-N 3.4Å
37	Y	93.1	Very high	94.2	Very high	12 Å²	12	85.8 Å²	85.8	5%	0.047	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-108.3	8.4	-175	-57.9	-82.2	0	0	0	113	Y31 D34 Q35 D39 E40 L111	Y31-Y37 AromaticContact CD1-CD2 3.78Å; Y31-Y37 HydrophobicContact CD1-CD2 3.78Å; Y31-Y37 AromaticContact CD1-CE2 3.44Å; Y31-Y37 HydrophobicContact CD1-CE2 3.44Å; Y31-Y37 VanDerWaalsContact CD1-CE2 3.44Å; Y31-Y37 AromaticContact CD1-CZ 3.93Å; Y31-Y37 HydrophobicContact CE1-CD2 4.4Å; Y31-Y37 AromaticContact CE1-CE2 3.6Å; Y31-Y37 HydrophobicContact CE1-CE2 3.6Å; Y31-Y37 AromaticContact CE1-CZ 3.8Å; D34-Y37 HydrophobicContact CB-CD2 4.04Å; D34-Y37 PolarHBondContact O-N 2.94Å; D34-Y37 VanDerWaalsContact O-N 3.1Å; Q35-Y37 PolarHBondContact O-N 3.48Å; Y37-D39 PolarHBondContact O-N 3.27Å; Y37-E40 VanDerWaalsContact O-CB 3.23Å; Y37-E40 WeakPolarHBondContact O-CB 3.46Å; Y37-E40 PolarHBondContact O-N 3.17Å; Y37-L111 HydrophobicContact CD1-CB 4.29Å; Y37-L111 HydrophobicContact CD1-CD1 3.81Å; Y37-L111 HydrophobicContact CE1-CB 3.87Å; Y37-L111 HydrophobicContact CE1-CD1 3.84Å
38	R	90.8	Very high	94.1	Very high	188 Å²	188	87.6 Å²	87.6	71%	0.709	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.1	-178.8	-177.4	-175.2	-68.9	-163.5	-1.3	113.4	Q35 E40	Q35-R38 PolarHBondContact O-N 3.19Å; R38-E40 VanDerWaalsContact C-N 3.29Å
39	D	90.5	Very high	93.9	Very high	149 Å²	149	90.1 Å²	90.1	80%	0.797	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	0.5	-177.1	-53.6	-42.9	0	0	0	112.7	Y37 E41	Y37-D39 PolarHBondContact O-N 3.27Å; D39-E41 PolarHBondContact O-N 2.97Å
40	E	91.6	Very high	93.8	Very high	70 Å²	70	84.4 Å²	84.4	33%	0.327	42%	0.419	S	S	.	.			trans	-78.2	104.3	-179.9	-167.9	70.4	-144.2	0	0	109.9	Y37 R38 G42 L43 K46 L111	Y37-E40 VanDerWaalsContact O-CB 3.23Å; Y37-E40 WeakPolarHBondContact O-CB 3.46Å; Y37-E40 PolarHBondContact O-N 3.17Å; R38-E40 VanDerWaalsContact C-N 3.29Å; E40-G42 PolarHBondContact O-N 3.2Å; E40-L43 HydrophobicContact CB-CB 4.22Å; E40-L43 HydrophobicContact CB-CD1 4.23Å; E40-L43 HydrophobicContact CG-CB 4.38Å; E40-L43 HydrophobicContact CG-CD1 4.02Å; E40-L43 WeakPolarHBondContact O-CB 3.43Å; E40-L43 PolarHBondContact O-N 2.8Å; E40-K46 HydrophobicContact CG-CD 4.34Å; E40-K46 IonicContact OE1-NZ 2.62Å; E40-K46 PolarHBondContact OE1-NZ 3.34Å; E40-L111 HydrophobicContact CG-CD2 4.41Å
41	E	91.6	Very high	93.6	Very high	171 Å²	171	80.1 Å²	80.1	80%	0.799	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	135.4	177.4	-67	-175.5	173.4	0	0	111.5	D39 L43 K46	D39-E41 PolarHBondContact O-N 2.97Å; E41-L43 PolarHBondContact O-N 3.48Å; E41-K46 WeakPolarHBondContact O-CE 3.38Å; E41-K46 PolarHBondContact O-NZ 2.9Å
42	G	93.1	Very high	93.3	Very high	42 Å²	42	83 Å²	83	43%	0.433	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	25.4	179.2	0	0	0	0	0	113.9	E40 A44 E45 K46	E40-G42 PolarHBondContact O-N 3.2Å; G42-A44 VanDerWaalsContact C-N 3.31Å; G42-A44 PolarHBondContact O-N 3Å; G42-E45 PolarHBondContact O-N 2.62Å; G42-K46 WeakPolarHBondContact O-CG 3.38Å; G42-K46 PolarHBondContact O-N 3.41Å
43	L	94.6	Very high	93	Very high	16 Å²	16	79.7 Å²	79.7	8%	0.084	40%	0.397	C	S	.	.	H	α-helix	trans	-53.1	-44.2	-176.3	-179.3	62	0	0	0	113.2	L32 E40 E41 E45 K46 L47 L111	L32-L43 HydrophobicContact CD2-CB 4.45Å; L32-L43 HydrophobicContact CD2-CD2 4.04Å; L32-L43 HydrophobicContact CD2-CG 4.02Å; E40-L43 HydrophobicContact CB-CB 4.22Å; E40-L43 HydrophobicContact CB-CD1 4.23Å; E40-L43 HydrophobicContact CG-CB 4.38Å; E40-L43 HydrophobicContact CG-CD1 4.02Å; E40-L43 WeakPolarHBondContact O-CB 3.43Å; E40-L43 PolarHBondContact O-N 2.8Å; E41-L43 PolarHBondContact O-N 3.48Å; L43-E45 PolarHBondContact O-N 2.99Å; L43-K46 PolarHBondContact O-N 3.16Å; L43-L47 HydrophobicContact CD1-CD1 3.95Å; L43-L47 HydrophobicContact CD1-CD2 4.39Å; L43-L47 HydrophobicContact CD1-CG 3.9Å; L43-L47 HydrophobicContact CD2-CD1 4.45Å; L43-L47 HydrophobicContact CG-CD1 3.81Å; L43-L47 HydrophobicContact CG-CG 4.19Å; L43-L47 WeakPolarHBondContact O-CB 3.17Å; L43-L47 VanDerWaalsContact O-CG 3.24Å; L43-L47 WeakPolarHBondContact O-CG 3.24Å; L43-L47 PolarHBondContact O-N 3.2Å; L43-L111 HydrophobicContact CD1-CD1 3.58Å; L43-L111 HydrophobicContact CD1-CD2 4.34Å
44	A	94.4	Very high	92.7	Very high	56 Å²	56	73 Å²	73	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-46.1	179.5	0	0	0	0	0	112.4	L32 G42 L47 E48	L32-A44 HydrophobicContact CD2-CB 3.96Å; G42-A44 VanDerWaalsContact C-N 3.31Å; G42-A44 PolarHBondContact O-N 3Å; A44-L47 PolarHBondContact O-N 2.92Å; A44-E48 PolarHBondContact O-N 3.3Å
45	E	94.3	Very high	92.4	Very high	156 Å²	156	71.2 Å²	71.2	73%	0.729	36%	0.361	S	S	*	.	H	α-helix	trans	-66	-40	177.6	-63.8	177.3	-177.6	0	0	111.6	G42 L43 E48 S49	G42-E45 PolarHBondContact O-N 2.62Å; L43-E45 PolarHBondContact O-N 2.99Å; E45-E48 PolarHBondContact O-N 3.41Å; E45-S49 WeakPolarHBondContact O-CB 3.46Å; E45-S49 PolarHBondContact O-N 3.33Å
46	K	93.3	Very high	91.9	Very high	79 Å²	79	68 Å²	68	34%	0.343	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-51.3	173.9	-74.5	170.4	175.6	164.7	0	110.9	E40 E41 G42 L43 E48 S49 L50 L111	E40-K46 HydrophobicContact CG-CD 4.34Å; E40-K46 IonicContact OE1-NZ 2.62Å; E40-K46 PolarHBondContact OE1-NZ 3.34Å; E41-K46 WeakPolarHBondContact O-CE 3.38Å; E41-K46 PolarHBondContact O-NZ 2.9Å; G42-K46 WeakPolarHBondContact O-CG 3.38Å; G42-K46 PolarHBondContact O-N 3.41Å; L43-K46 PolarHBondContact O-N 3.16Å; K46-E48 VanDerWaalsContact C-N 3.27Å; K46-E48 PolarHBondContact O-N 3.45Å; K46-S49 WeakPolarHBondContact O-CB 3.49Å; K46-S49 PolarHBondContact O-N 3.16Å; K46-L50 WeakPolarHBondContact O-CB 3.43Å; K46-L50 WeakPolarHBondContact O-CG 3.23Å; K46-L50 PolarHBondContact O-N 3.06Å; K46-L111 HydrophobicContact CB-CD2 4.45Å; K46-L111 HydrophobicContact CD-CD2 4.21Å
47	L	95.6	Very high	91.4	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-36.9	179.7	-72.4	174.3	0	0	0	112	N28 Y31 L32 L43 A44 L50 K51 Y103 V107 L111	N28-L47 HydrophobicContact CB-CB 4.31Å; N28-L47 HydrophobicContact CB-CD1 4.38Å; N28-L47 PolarHBondContact ND2-O 3.45Å; N28-L47 VanDerWaalsContact ND2-O 3.13Å; Y31-L47 HydrophobicContact CD2-CD2 4.43Å; Y31-L47 HydrophobicContact CG-CD2 4.31Å; L32-L47 HydrophobicContact CD2-CD1 3.94Å; L32-L47 HydrophobicContact CG-CD1 3.88Å; L43-L47 HydrophobicContact CD1-CD1 3.95Å; L43-L47 HydrophobicContact CD1-CD2 4.39Å; L43-L47 HydrophobicContact CD1-CG 3.9Å; L43-L47 HydrophobicContact CD2-CD1 4.45Å; L43-L47 HydrophobicContact CG-CD1 3.81Å; L43-L47 HydrophobicContact CG-CG 4.19Å; L43-L47 WeakPolarHBondContact O-CB 3.17Å; L43-L47 VanDerWaalsContact O-CG 3.24Å; L43-L47 WeakPolarHBondContact O-CG 3.24Å; L43-L47 PolarHBondContact O-N 3.2Å; A44-L47 PolarHBondContact O-N 2.92Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-K51 VanDerWaalsContact O-CB 3.32Å; L47-K51 WeakPolarHBondContact O-CB 3.36Å; L47-K51 PolarHBondContact O-N 3.41Å; L47-Y103 PolarHBondContact O-OH 3.49Å; L47-V107 HydrophobicContact CD2-CG1 3.66Å; L47-V107 HydrophobicContact CD2-CG2 4.29Å; L47-L111 HydrophobicContact CD2-CD1 4.24Å
48	E	94.3	Very high	90.5	Very high	66 Å²	66	61 Å²	61	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-66.3	-44.4	174.6	-170.6	59.4	-155.9	0	0	112	R21 A44 E45 K46 L50 K51 N52	R21-E48 IonicContact NH2-OE1 2.78Å; A44-E48 PolarHBondContact O-N 3.3Å; E45-E48 PolarHBondContact O-N 3.41Å; K46-E48 VanDerWaalsContact C-N 3.27Å; K46-E48 PolarHBondContact O-N 3.45Å; E48-L50 PolarHBondContact O-N 3.49Å; E48-K51 PolarHBondContact O-N 3.35Å; E48-K51 WeakPolarHBondContact OE1-CE 3.44Å; E48-K51 IonicContact OE1-NZ 2.79Å; E48-K51 PolarHBondContact OE1-NZ 3.09Å; E48-K51 WeakPolarHBondContact OE2-CE 3.35Å; E48-K51 IonicContact OE2-NZ 3.63Å; E48-K51 PolarHBondContact OE2-NZ 3.27Å; E48-N52 PolarHBondContact O-N 3.16Å; E48-N52 VanDerWaalsContact O-N 3.08Å; E48-N52 PolarHBondContact O-ND2 2.92Å; E48-N52 VanDerWaalsContact O-ND2 3.13Å
49	S	92.1	Very high	89.3	Confident	57 Å²	57	55.5 Å²	55.5	40%	0.399	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-44.7	175	-178	0	0	0	0	111.8	E45 K46 N52 K53	E45-S49 WeakPolarHBondContact O-CB 3.46Å; E45-S49 PolarHBondContact O-N 3.33Å; K46-S49 WeakPolarHBondContact O-CB 3.49Å; K46-S49 PolarHBondContact O-N 3.16Å; S49-N52 PolarHBondContact O-N 3.45Å; S49-K53 PolarHBondContact O-N 3.09Å
50	L	93.4	Very high	88.3	Confident	9 Å²	9	50.6 Å²	50.6	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-41	178.1	-67.9	-179.4	0	0	0	112.2	K46 L47 E48 N52 K53 Y54 F106 V107 M110 L111	K46-L50 WeakPolarHBondContact O-CB 3.43Å; K46-L50 WeakPolarHBondContact O-CG 3.23Å; K46-L50 PolarHBondContact O-N 3.06Å; L47-L50 PolarHBondContact O-N 2.87Å; E48-L50 PolarHBondContact O-N 3.49Å; L50-N52 VanDerWaalsContact C-N 3.34Å; L50-N52 PolarHBondContact O-N 3.23Å; L50-K53 PolarHBondContact O-N 3.11Å; L50-Y54 VanDerWaalsContact O-CB 3.25Å; L50-Y54 WeakPolarHBondContact O-CB 3.21Å; L50-Y54 PolarHBondContact O-N 3.43Å; L50-F106 HydrophobicContact CB-CE1 4.28Å; L50-F106 HydrophobicContact CD2-CE1 3.88Å; L50-V107 HydrophobicContact CD1-CG1 4.46Å; L50-V107 HydrophobicContact CD1-CG2 4.3Å; L50-M110 HydrophobicContact CD1-CB 3.68Å; L50-M110 HydrophobicContact CD1-CG 4.37Å; L50-M110 HydrophobicContact CD2-CB 3.66Å; L50-M110 HydrophobicContact CD2-CE 3.59Å; L50-M110 HydrophobicContact CD2-CG 3.53Å; L50-M110 HydrophobicContact CD2-SD 4.38Å; L50-M110 HydrophobicContact CG-CB 4.33Å; L50-L111 HydrophobicContact CD1-CD2 4.43Å; L50-L111 HydrophobicContact CD1-CG 4.48Å
51	K	92.6	Very high	87.1	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-48	174.4	-176.7	-179.2	78.8	-162.4	0	111.2	L24 E25 L47 E48 Y54 A55 Y103	L24-K51 HydrophobicContact CB-CD 3.94Å; L24-K51 HydrophobicContact CB-CG 3.68Å; L24-K51 HydrophobicContact CD1-CG 3.84Å; L24-K51 HydrophobicContact CG-CG 4.42Å; E25-K51 IonicContact OE2-NZ 3.48Å; E25-K51 PolarHBondContact OE2-NZ 3.1Å; L47-K51 VanDerWaalsContact O-CB 3.32Å; L47-K51 WeakPolarHBondContact O-CB 3.36Å; L47-K51 PolarHBondContact O-N 3.41Å; E48-K51 PolarHBondContact O-N 3.35Å; E48-K51 WeakPolarHBondContact OE1-CE 3.44Å; E48-K51 IonicContact OE1-NZ 2.79Å; E48-K51 PolarHBondContact OE1-NZ 3.09Å; E48-K51 WeakPolarHBondContact OE2-CE 3.35Å; E48-K51 IonicContact OE2-NZ 3.63Å; E48-K51 PolarHBondContact OE2-NZ 3.27Å; K51-Y54 PolarHBondContact O-N 3.41Å; K51-A55 WeakPolarHBondContact O-CB 3.06Å; K51-A55 PolarHBondContact O-N 2.87Å; K51-Y103 WeakPolarHBondContact CA-OH 3.24Å; K51-Y103 WeakPolarHBondContact CB-OH 3.5Å; K51-Y103 PolarHBondContact N-OH 2.98Å
52	N	90	Very high	86.3	Confident	73 Å²	73	49.1 Å²	49.1	39%	0.39	27%	0.269	S	S	.	.	H	α-helix	trans	-66.6	-44.2	-178.8	-67.5	-32.8	0	0	0	111.6	R21 E48 S49 L50 A55 E56	R21-N52 PolarHBondContact NH2-OD1 3.46Å; E48-N52 PolarHBondContact O-N 3.16Å; E48-N52 VanDerWaalsContact O-N 3.08Å; E48-N52 PolarHBondContact O-ND2 2.92Å; E48-N52 VanDerWaalsContact O-ND2 3.13Å; S49-N52 PolarHBondContact O-N 3.45Å; L50-N52 VanDerWaalsContact C-N 3.34Å; L50-N52 PolarHBondContact O-N 3.23Å; N52-A55 PolarHBondContact O-N 3.42Å; N52-E56 PolarHBondContact O-N 3.25Å
53	K	88.9	Confident	85.7	Confident	22 Å²	22	48.3 Å²	48.3	10%	0.096	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-47	173.4	-91.3	174.2	177.4	174.7	0	111.8	S49 L50 A55 E56 F57 D126	S49-K53 PolarHBondContact O-N 3.09Å; L50-K53 PolarHBondContact O-N 3.11Å; K53-A55 PolarHBondContact O-N 3.04Å; K53-E56 WeakPolarHBondContact O-CB 3.41Å; K53-E56 PolarHBondContact O-N 3.43Å; K53-F57 WeakPolarHBondContact O-CD2 3.41Å; K53-F57 WeakPolarHBondContact O-CE2 3.47Å; K53-D126 IonicContact NZ-OD1 3.74Å; K53-D126 PolarHBondContact NZ-OD1 2.81Å; K53-D126 IonicContact NZ-OD2 2.76Å; K53-D126 PolarHBondContact NZ-OD2 3.47Å
54	Y	90.6	Very high	85.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-45.8	179.8	-174.1	-90.9	0	0	0	112.1	L24 L50 K51 E56 F57 D58 G63 E64 I65 I101 N102 Y103 F106	L24-Y54 HydrophobicContact CD1-CD1 4.08Å; L24-Y54 HydrophobicContact CD2-CD1 4.01Å; L24-Y54 HydrophobicContact CD2-CE1 4.05Å; L50-Y54 VanDerWaalsContact O-CB 3.25Å; L50-Y54 WeakPolarHBondContact O-CB 3.21Å; L50-Y54 PolarHBondContact O-N 3.43Å; K51-Y54 PolarHBondContact O-N 3.41Å; Y54-E56 PolarHBondContact O-N 3.37Å; Y54-F57 PolarHBondContact O-N 2.85Å; Y54-F57 VanDerWaalsContact O-N 3.1Å; Y54-D58 HydrophobicContact CE1-CB 4.33Å; Y54-D58 PolarHBondContact O-N 3.08Å; Y54-D58 VanDerWaalsContact O-N 3.15Å; Y54-G63 PolarHBondContact OH-O 3.16Å; Y54-E64 VanDerWaalsContact OH-CA 3.31Å; Y54-E64 WeakPolarHBondContact OH-CA 3.46Å; Y54-I65 HydrophobicContact CD2-CD1 3.48Å; Y54-I65 VanDerWaalsContact CD2-CD1 3.48Å; Y54-I65 HydrophobicContact CD2-CG1 4.13Å; Y54-I65 HydrophobicContact CE2-CD1 3.47Å; Y54-I65 VanDerWaalsContact CE2-CD1 3.47Å; Y54-I65 HydrophobicContact CE2-CG1 3.71Å; Y54-I65 HydrophobicContact CG-CD1 4.38Å; Y54-I101 PolarHBondContact OH-O 3.08Å; Y54-I101 VanDerWaalsContact OH-O 3.13Å; Y54-N102 WeakPolarHBondContact OH-CA 3.32Å; Y54-Y103 AromaticContact CD1-CD2 3.81Å; Y54-Y103 HydrophobicContact CD1-CD2 3.81Å; Y54-Y103 HydrophobicContact CD1-CG 4.45Å; Y54-Y103 AromaticContact CD2-CD2 3.76Å; Y54-Y103 HydrophobicContact CD2-CD2 3.76Å; Y54-Y103 HydrophobicContact CE1-CD2 4.29Å; Y54-Y103 HydrophobicContact CE2-CD2 4.21Å; Y54-Y103 AromaticContact CG-CD2 3.51Å; Y54-Y103 HydrophobicContact CG-CD2 3.51Å; Y54-Y103 HydrophobicContact CG-CE2 4.13Å; Y54-Y103 HydrophobicContact CG-CG 4.49Å; Y54-Y103 PolarHBondContact OH-N 2.96Å; Y54-Y103 VanDerWaalsContact OH-N 3.09Å; Y54-F106 HydrophobicContact CD2-CB 3.86Å; Y54-F106 AromaticContact CD2-CD1 3.97Å; Y54-F106 HydrophobicContact CD2-CD1 3.97Å; Y54-F106 HydrophobicContact CD2-CD2 4.18Å; Y54-F106 AromaticContact CD2-CG 3.75Å; Y54-F106 HydrophobicContact CD2-CG 3.75Å; Y54-F106 HydrophobicContact CE2-CB 4.05Å; Y54-F106 HydrophobicContact CE2-CG 4.38Å
55	A	87.6	Confident	85.5	Confident	33 Å²	33	48 Å²	48	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-23.6	179.2	0	0	0	0	0	113.7	L24 K51 N52 K53 F57	L24-A55 HydrophobicContact CD1-CB 4.37Å; K51-A55 WeakPolarHBondContact O-CB 3.06Å; K51-A55 PolarHBondContact O-N 2.87Å; N52-A55 PolarHBondContact O-N 3.42Å; K53-A55 PolarHBondContact O-N 3.04Å; A55-F57 VanDerWaalsContact C-N 3.34Å
56	E	84.1	Confident	85.4	Confident	82 Å²	82	42.5 Å²	42.5	38%	0.383	23%	0.225	S	C	.	.	H	α-helix	trans	-71.1	-29.8	175.9	-166.1	-175.8	142.2	0	0	112.8	N52 K53 Y54 K76	N52-E56 PolarHBondContact O-N 3.25Å; K53-E56 WeakPolarHBondContact O-CB 3.41Å; K53-E56 PolarHBondContact O-N 3.43Å; Y54-E56 PolarHBondContact O-N 3.37Å; E56-K76 WeakPolarHBondContact OE1-CE 3.42Å; E56-K76 IonicContact OE1-NZ 2.61Å; E56-K76 PolarHBondContact OE1-NZ 3.07Å
57	F	82.4	Confident	85.4	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-106.6	-9.3	-172.8	-55.9	-62.5	0	0	0	114.4	K53 Y54 A55 L59 I65 M73 K76 L122	K53-F57 WeakPolarHBondContact O-CD2 3.41Å; K53-F57 WeakPolarHBondContact O-CE2 3.47Å; Y54-F57 PolarHBondContact O-N 2.85Å; Y54-F57 VanDerWaalsContact O-N 3.1Å; A55-F57 VanDerWaalsContact C-N 3.34Å; F57-L59 WeakPolarHBondContact O-CG 3.48Å; F57-L59 PolarHBondContact O-N 3.45Å; F57-I65 HydrophobicContact CB-CD1 4.43Å; F57-M73 HydrophobicContact CB-CB 4.44Å; F57-M73 HydrophobicContact CB-CE 3.43Å; F57-M73 VanDerWaalsContact CB-CE 3.43Å; F57-M73 HydrophobicContact CD1-CB 3.49Å; F57-M73 VanDerWaalsContact CD1-CB 3.49Å; F57-M73 HydrophobicContact CD1-CE 4.12Å; F57-M73 HydrophobicContact CD1-CG 3.52Å; F57-M73 HydrophobicContact CD2-CE 3.42Å; F57-M73 VanDerWaalsContact CD2-CE 3.42Å; F57-M73 HydrophobicContact CD2-CG 3.99Å; F57-M73 HydrophobicContact CD2-SD 4.13Å; F57-M73 HydrophobicContact CE1-CB 3.83Å; F57-M73 HydrophobicContact CE1-CG 3.49Å; F57-M73 VanDerWaalsContact CE1-CG 3.49Å; F57-M73 HydrophobicContact CE2-CE 4.18Å; F57-M73 HydrophobicContact CE2-CG 3.96Å; F57-M73 HydrophobicContact CE2-SD 4.33Å; F57-M73 HydrophobicContact CG-CB 3.95Å; F57-M73 HydrophobicContact CG-CE 3.38Å; F57-M73 HydrophobicContact CG-CG 3.79Å; F57-M73 HydrophobicContact CG-SD 4.26Å; F57-M73 HydrophobicContact CZ-CG 3.72Å; F57-K76 HydrophobicContact CE1-CD 4.42Å; F57-L122 HydrophobicContact CE2-CD2 4.45Å
58	D	74.9	Confident	85.2	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.011	25%	0.248	C	C	.	.			trans	-79.3	94.5	172.9	-169.8	-27.3	0	0	0	110.4	K17 Q20 Y54 N60 G63 E64	K17-D58 PolarHBondContact NZ-O 3.5Å; Q20-D58 PolarHBondContact NE2-OD1 2.85Å; Q20-D58 PolarHBondContact NE2-OD2 3.18Å; Y54-D58 HydrophobicContact CE1-CB 4.33Å; Y54-D58 PolarHBondContact O-N 3.08Å; Y54-D58 VanDerWaalsContact O-N 3.15Å; D58-N60 PolarHBondContact OD1-OD1 3.49Å; D58-G63 PolarHBondContact OD1-N 3.49Å; D58-G63 WeakPolarHBondContact OD2-CA 3.26Å; D58-G63 PolarHBondContact OD2-N 2.97Å; D58-E64 PolarHBondContact OD2-N 3.13Å
59	L	65.6	Low	85.1	Confident	71 Å²	71	43.6 Å²	43.6	37%	0.372	23%	0.234	S	C	.	.			trans	-106.8	-14.8	-165.5	-68.4	173.8	0	0	0	114.7	F57 R72	F57-L59 WeakPolarHBondContact O-CG 3.48Å; F57-L59 PolarHBondContact O-N 3.45Å; L59-R72 HydrophobicContact CD1-CB 4.19Å; L59-R72 HydrophobicContact CD1-CG 4.2Å; L59-R72 VanDerWaalsContact CD1-NH1 3.33Å; L59-R72 VanDerWaalsContact CD2-NH1 3.34Å
60	N	68.7	Low	85.2	Confident	47 Å²	47	40.9 Å²	40.9	25%	0.251	22%	0.215	S	C	.	.	S	Bend	trans	-94.6	-0	-178.8	62.7	-3.3	0	0	0	112.8	D58 E62 E64	D58-N60 PolarHBondContact OD1-OD1 3.49Å; N60-E62 HydrophobicContact CB-CG 4.25Å; N60-E62 PolarHBondContact ND2-OE2 3.35Å; N60-E62 PolarHBondContact O-N 2.89Å; N60-E62 VanDerWaalsContact O-N 3.11Å; N60-E62 PolarHBondContact OD1-N 3.39Å; N60-E62 VanDerWaalsContact OD1-N 3.15Å; N60-E64 PolarHBondContact OD1-O 3.09Å
61	D	67.9	Low	85.2	Confident	64 Å²	64	44.7 Å²	44.7	34%	0.342	23%	0.231	S	C	.	.	S	Bend	trans	58.4	16.4	-176	-59.3	-42.3	0	0	0	113.6	L16 K17	L16-D61 HydrophobicContact CD2-CB 3.82Å; K17-D61 VanDerWaalsContact CE-OD1 3.27Å; K17-D61 WeakPolarHBondContact CE-OD1 3.39Å; K17-D61 IonicContact NZ-OD1 3.84Å; K17-D61 PolarHBondContact NZ-OD1 2.54Å
62	E	73.3	Confident	85	Confident	146 Å²	146	51.8 Å²	51.8	68%	0.682	26%	0.258	S	S	*	.	S	Bend	trans	-88.4	-11.7	176.6	-63	-177.6	167.5	0	0	111.8	N60	N60-E62 HydrophobicContact CB-CG 4.25Å; N60-E62 PolarHBondContact ND2-OE2 3.35Å; N60-E62 PolarHBondContact O-N 2.89Å; N60-E62 VanDerWaalsContact O-N 3.11Å; N60-E62 PolarHBondContact OD1-N 3.39Å; N60-E62 VanDerWaalsContact OD1-N 3.15Å
63	G	81.6	Confident	85	Confident	24 Å²	24	48.3 Å²	48.3	25%	0.247	24%	0.239	C	C	.	.	S	Bend	trans	91.2	4.8	-179.1	0	0	0	0	0	113.8	Y54 D58	Y54-G63 PolarHBondContact OH-O 3.16Å; D58-G63 PolarHBondContact OD1-N 3.49Å; D58-G63 WeakPolarHBondContact OD2-CA 3.26Å; D58-G63 PolarHBondContact OD2-N 2.97Å
64	E	91.1	Very high	85.2	Confident	65 Å²	65	47.3 Å²	47.3	30%	0.304	24%	0.235	S	C	.	.	S	Bend	trans	-134.4	144.5	-173.7	-59.5	-168.1	159.8	0	0	112.2	Y54 D58 N60 D66 T100 N102	Y54-E64 VanDerWaalsContact OH-CA 3.31Å; Y54-E64 WeakPolarHBondContact OH-CA 3.46Å; D58-E64 PolarHBondContact OD2-N 3.13Å; N60-E64 PolarHBondContact OD1-O 3.09Å; E64-D66 PolarHBondContact O-N 2.68Å; E64-T100 VanDerWaalsContact OE2-CB 3.29Å; E64-T100 WeakPolarHBondContact OE2-CB 3.37Å; E64-T100 PolarHBondContact OE2-OG1 3.35Å; E64-N102 HydrophobicContact CG-CB 4.19Å
65	I	92.6	Very high	85.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-83.3	105	174.4	-58.5	168.6	0	0	0	108.2	Y54 F57 L70 M73 T100 I101 F106	Y54-I65 HydrophobicContact CD2-CD1 3.48Å; Y54-I65 VanDerWaalsContact CD2-CD1 3.48Å; Y54-I65 HydrophobicContact CD2-CG1 4.13Å; Y54-I65 HydrophobicContact CE2-CD1 3.47Å; Y54-I65 VanDerWaalsContact CE2-CD1 3.47Å; Y54-I65 HydrophobicContact CE2-CG1 3.71Å; Y54-I65 HydrophobicContact CG-CD1 4.38Å; F57-I65 HydrophobicContact CB-CD1 4.43Å; I65-L70 HydrophobicContact CG2-CB 4.06Å; I65-M73 HydrophobicContact CD1-CE 3.88Å; I65-M73 HydrophobicContact CG2-CE 4.26Å; I65-T100 WeakPolarHBondContact O-CA 3.41Å; I65-I101 HydrophobicContact CB-CB 4.27Å; I65-I101 PolarHBondContact N-O 2.9Å; I65-I101 PolarHBondContact O-N 2.92Å; I65-F106 HydrophobicContact CD1-CD2 4.35Å
66	D	92.6	Very high	85.2	Confident	41 Å²	41	56.4 Å²	56.4	22%	0.219	27%	0.27	C	S	.	.			trans	-82.2	179.5	173.7	80.7	-36.2	0	0	0	112	E64 M68 G69 L70 T100	E64-D66 PolarHBondContact O-N 2.68Å; D66-M68 PolarHBondContact O-N 3.29Å; D66-M68 PolarHBondContact OD1-N 2.91Å; D66-M68 WeakPolarHBondContact OD2-CB 3.26Å; D66-M68 PolarHBondContact OD2-N 3.13Å; D66-G69 PolarHBondContact O-N 3.27Å; D66-G69 WeakPolarHBondContact OD1-CA 3.49Å; D66-G69 PolarHBondContact OD1-N 3.08Å; D66-L70 WeakPolarHBondContact O-CB 3.34Å; D66-L70 PolarHBondContact O-N 3.13Å; D66-T100 HydrophobicContact CB-CG2 4.11Å
67	L	93.8	Very high	85.3	Confident	40 Å²	40	54.1 Å²	54.1	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-34.5	-179.6	-167.9	71.9	0	0	0	112.5	K71 H83 L86 K87 I90	L67-K71 WeakPolarHBondContact O-CB 3.46Å; L67-K71 PolarHBondContact O-N 3.38Å; L67-H83 WeakPolarHBondContact CD2-CE1 3.28Å; L67-L86 HydrophobicContact CD1-CB 3.58Å; L67-K87 HydrophobicContact CD1-CG 3.86Å; L67-K87 HydrophobicContact CD2-CG 4.28Å; L67-I90 HydrophobicContact CB-CD1 4.25Å; L67-I90 HydrophobicContact CD1-CD1 3.74Å
68	M	91.3	Very high	85.6	Confident	128 Å²	128	56.7 Å²	56.7	63%	0.631	29%	0.288	S	S	*	.	H	α-helix	trans	-73	-42.6	178.5	-164.3	70.5	79.3	0	0	111.2	D66 K71 R72	D66-M68 PolarHBondContact O-N 3.29Å; D66-M68 PolarHBondContact OD1-N 2.91Å; D66-M68 WeakPolarHBondContact OD2-CB 3.26Å; D66-M68 PolarHBondContact OD2-N 3.13Å; M68-K71 WeakPolarHBondContact O-CB 3.25Å; M68-K71 PolarHBondContact O-N 2.61Å; M68-R72 PolarHBondContact O-N 3.41Å
69	G	91.6	Very high	86.5	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-47.4	173.8	0	0	0	0	0	111.7	D66 K71 R72 M73	D66-G69 PolarHBondContact O-N 3.27Å; D66-G69 WeakPolarHBondContact OD1-CA 3.49Å; D66-G69 PolarHBondContact OD1-N 3.08Å; G69-K71 PolarHBondContact O-N 3.09Å; G69-R72 PolarHBondContact O-N 3.22Å; G69-M73 WeakPolarHBondContact O-CB 3.46Å; G69-M73 PolarHBondContact O-N 3.45Å
70	L	93.9	Very high	87.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-40.6	176.1	-173.1	63.2	0	0	0	112.3	I65 D66 M73 M74 L86 M89 I90 L118	I65-L70 HydrophobicContact CG2-CB 4.06Å; D66-L70 WeakPolarHBondContact O-CB 3.34Å; D66-L70 PolarHBondContact O-N 3.13Å; L70-M73 HydrophobicContact CD1-CE 4.23Å; L70-M73 HydrophobicContact CD1-SD 3.97Å; L70-M73 WeakPolarHBondContact O-CB 3.47Å; L70-M73 PolarHBondContact O-N 2.62Å; L70-M74 HydrophobicContact CD1-CE 3.95Å; L70-M74 VanDerWaalsContact O-CG 3.32Å; L70-M74 WeakPolarHBondContact O-CG 3.46Å; L70-M74 PolarHBondContact O-N 2.91Å; L70-L86 HydrophobicContact CB-CD2 4.41Å; L70-L86 HydrophobicContact CD2-CB 4.41Å; L70-L86 HydrophobicContact CD2-CD2 3.98Å; L70-L86 HydrophobicContact CG-CD2 3.77Å; L70-M89 HydrophobicContact CD2-CB 4.03Å; L70-I90 HydrophobicContact CD2-CD1 4.24Å; L70-I90 HydrophobicContact CD2-CG1 3.67Å; L70-L118 HydrophobicContact CD1-CD1 3.9Å; L70-L118 HydrophobicContact CD1-CD2 4.02Å
71	K	93.4	Very high	89	Confident	89 Å²	89	60.8 Å²	60.8	39%	0.387	32%	0.315	S	S	.	.	H	α-helix	trans	-57.9	-50.5	175.5	-176.8	-176.8	169.5	-168.1	0	111.1	L67 M68 G69 M73 M74 E75 L86	L67-K71 WeakPolarHBondContact O-CB 3.46Å; L67-K71 PolarHBondContact O-N 3.38Å; M68-K71 WeakPolarHBondContact O-CB 3.25Å; M68-K71 PolarHBondContact O-N 2.61Å; G69-K71 PolarHBondContact O-N 3.09Å; K71-M73 VanDerWaalsContact C-N 3.33Å; K71-M73 PolarHBondContact O-N 2.94Å; K71-M74 PolarHBondContact O-N 3.17Å; K71-E75 WeakPolarHBondContact CE-OE1 3.29Å; K71-E75 IonicContact NZ-OE1 2.62Å; K71-E75 WeakPolarHBondContact O-CG 3.48Å; K71-E75 PolarHBondContact O-N 3.06Å; K71-L86 HydrophobicContact CB-CD1 3.65Å; K71-L86 HydrophobicContact CG-CD1 3.9Å
72	R	89.8	Confident	90.4	Very high	152 Å²	152	61.5 Å²	61.5	57%	0.574	32%	0.322	S	S	*	.	H	α-helix	trans	-66.4	-36.2	-178.1	-176.3	164.6	169.9	-147.3	3	112	L59 M68 G69 E75 K76	L59-R72 HydrophobicContact CD1-CB 4.19Å; L59-R72 HydrophobicContact CD1-CG 4.2Å; L59-R72 VanDerWaalsContact CD1-NH1 3.33Å; L59-R72 VanDerWaalsContact CD2-NH1 3.34Å; M68-R72 PolarHBondContact O-N 3.41Å; G69-R72 PolarHBondContact O-N 3.22Å; R72-E75 PolarHBondContact O-N 3.28Å; R72-K76 WeakPolarHBondContact O-CB 3.22Å; R72-K76 PolarHBondContact O-N 2.81Å
73	M	90.3	Very high	91.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-56.6	-54.3	170.2	178.8	-163.7	-57.1	0	0	110.5	F57 I65 G69 L70 K71 E75 K76 L77 L118 L122	F57-M73 HydrophobicContact CB-CB 4.44Å; F57-M73 HydrophobicContact CB-CE 3.43Å; F57-M73 VanDerWaalsContact CB-CE 3.43Å; F57-M73 HydrophobicContact CD1-CB 3.49Å; F57-M73 VanDerWaalsContact CD1-CB 3.49Å; F57-M73 HydrophobicContact CD1-CE 4.12Å; F57-M73 HydrophobicContact CD1-CG 3.52Å; F57-M73 HydrophobicContact CD2-CE 3.42Å; F57-M73 VanDerWaalsContact CD2-CE 3.42Å; F57-M73 HydrophobicContact CD2-CG 3.99Å; F57-M73 HydrophobicContact CD2-SD 4.13Å; F57-M73 HydrophobicContact CE1-CB 3.83Å; F57-M73 HydrophobicContact CE1-CG 3.49Å; F57-M73 VanDerWaalsContact CE1-CG 3.49Å; F57-M73 HydrophobicContact CE2-CE 4.18Å; F57-M73 HydrophobicContact CE2-CG 3.96Å; F57-M73 HydrophobicContact CE2-SD 4.33Å; F57-M73 HydrophobicContact CG-CB 3.95Å; F57-M73 HydrophobicContact CG-CE 3.38Å; F57-M73 HydrophobicContact CG-CG 3.79Å; F57-M73 HydrophobicContact CG-SD 4.26Å; F57-M73 HydrophobicContact CZ-CG 3.72Å; I65-M73 HydrophobicContact CD1-CE 3.88Å; I65-M73 HydrophobicContact CG2-CE 4.26Å; G69-M73 WeakPolarHBondContact O-CB 3.46Å; G69-M73 PolarHBondContact O-N 3.45Å; L70-M73 HydrophobicContact CD1-CE 4.23Å; L70-M73 HydrophobicContact CD1-SD 3.97Å; L70-M73 WeakPolarHBondContact O-CB 3.47Å; L70-M73 PolarHBondContact O-N 2.62Å; K71-M73 VanDerWaalsContact C-N 3.33Å; K71-M73 PolarHBondContact O-N 2.94Å; M73-E75 VanDerWaalsContact C-N 3.31Å; M73-E75 PolarHBondContact O-N 2.74Å; M73-K76 PolarHBondContact O-N 3.36Å; M73-K76 VanDerWaalsContact O-N 3.12Å; M73-L77 HydrophobicContact CG-CD1 3.84Å; M73-L77 HydrophobicContact CG-CG 4.46Å; M73-L77 WeakPolarHBondContact O-CB 3.31Å; M73-L77 VanDerWaalsContact O-CG 3.24Å; M73-L77 WeakPolarHBondContact O-CG 3.49Å; M73-L77 PolarHBondContact O-N 3.29Å; M73-L118 HydrophobicContact SD-CD1 3.52Å; M73-L118 VanDerWaalsContact SD-CD1 3.52Å; M73-L122 HydrophobicContact SD-CD2 4.36Å
74	M	92.8	Very high	92.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-40.4	179.8	-72.2	-60.4	128	0	0	113	L70 K71 L77 G78 V79 K81 L86 M89 L118 V121	L70-M74 HydrophobicContact CD1-CE 3.95Å; L70-M74 VanDerWaalsContact O-CG 3.32Å; L70-M74 WeakPolarHBondContact O-CG 3.46Å; L70-M74 PolarHBondContact O-N 2.91Å; K71-M74 PolarHBondContact O-N 3.17Å; M74-L77 PolarHBondContact O-N 3.19Å; M74-G78 PolarHBondContact O-N 2.99Å; M74-V79 WeakPolarHBondContact CB-O 3.36Å; M74-V79 CarbonylContact O-C 3.28Å; M74-V79 VanDerWaalsContact O-C 3.28Å; M74-V79 PolarHBondContact O-N 2.74Å; M74-K81 HydrophobicContact CB-CG 4.31Å; M74-K81 HydrophobicContact CG-CB 4.46Å; M74-K81 HydrophobicContact CG-CG 3.94Å; M74-K81 HydrophobicContact SD-CG 4.1Å; M74-L86 HydrophobicContact CB-CD2 4.46Å; M74-L86 HydrophobicContact CG-CD2 3.84Å; M74-M89 HydrophobicContact CE-CE 3.55Å; M74-M89 HydrophobicContact SD-CE 3.87Å; M74-L118 HydrophobicContact CE-CD1 3.3Å; M74-V121 HydrophobicContact CE-CB 4.45Å; M74-V121 HydrophobicContact CE-CG1 4.21Å; M74-V121 HydrophobicContact SD-CG1 4.19Å; M74-V121 HydrophobicContact SD-CG2 4.35Å
75	E	90.9	Very high	92.6	Very high	104 Å²	104	64.4 Å²	64.4	49%	0.486	33%	0.331	S	S	.	.	H	α-helix	trans	-65.8	-43.1	174.9	-71.4	174.1	162.6	0	0	112.3	K71 R72 M73 L77 G78	K71-E75 WeakPolarHBondContact CE-OE1 3.29Å; K71-E75 IonicContact NZ-OE1 2.62Å; K71-E75 WeakPolarHBondContact O-CG 3.48Å; K71-E75 PolarHBondContact O-N 3.06Å; R72-E75 PolarHBondContact O-N 3.28Å; M73-E75 VanDerWaalsContact C-N 3.31Å; M73-E75 PolarHBondContact O-N 2.74Å; E75-L77 VanDerWaalsContact C-N 3.28Å; E75-L77 PolarHBondContact O-N 3.12Å; E75-G78 PolarHBondContact O-N 3.12Å; E75-G78 VanDerWaalsContact O-N 3.11Å
76	K	86.4	Confident	92.8	Very high	121 Å²	121	64.5 Å²	64.5	53%	0.526	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-36.9	177.4	-172.9	176.3	-179	179.8	0	111.7	E56 F57 R72 M73 G78	E56-K76 WeakPolarHBondContact OE1-CE 3.42Å; E56-K76 IonicContact OE1-NZ 2.61Å; E56-K76 PolarHBondContact OE1-NZ 3.07Å; F57-K76 HydrophobicContact CE1-CD 4.42Å; R72-K76 WeakPolarHBondContact O-CB 3.22Å; R72-K76 PolarHBondContact O-N 2.81Å; M73-K76 PolarHBondContact O-N 3.36Å; M73-K76 VanDerWaalsContact O-N 3.12Å; K76-G78 PolarHBondContact O-N 3.15Å
77	L	87.1	Confident	93.1	Very high	34 Å²	34	67.6 Å²	67.6	18%	0.178	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.2	177.5	-61.5	178.4	0	0	0	113.4	M73 M74 E75 V79 V121 L122 E125	M73-L77 HydrophobicContact CG-CD1 3.84Å; M73-L77 HydrophobicContact CG-CG 4.46Å; M73-L77 WeakPolarHBondContact O-CB 3.31Å; M73-L77 VanDerWaalsContact O-CG 3.24Å; M73-L77 WeakPolarHBondContact O-CG 3.49Å; M73-L77 PolarHBondContact O-N 3.29Å; M74-L77 PolarHBondContact O-N 3.19Å; E75-L77 VanDerWaalsContact C-N 3.28Å; E75-L77 PolarHBondContact O-N 3.12Å; L77-V79 PolarHBondContact O-N 2.76Å; L77-V121 HydrophobicContact CB-CG1 4.27Å; L77-V121 HydrophobicContact CD1-CG1 3.69Å; L77-L122 HydrophobicContact CD1-CD2 3.96Å; L77-E125 HydrophobicContact CD2-CB 4.27Å; L77-E125 HydrophobicContact CD2-CG 3.74Å; L77-E125 WeakPolarHBondContact CD2-OE1 3.42Å; L77-E125 WeakPolarHBondContact CD2-OE2 3.32Å
78	G	89.1	Confident	93.2	Very high	60 Å²	60	72.2 Å²	72.2	62%	0.619	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	14.9	179.2	0	0	0	0	0	114.3	M74 E75 K76 P80	M74-G78 PolarHBondContact O-N 2.99Å; E75-G78 PolarHBondContact O-N 3.12Å; E75-G78 VanDerWaalsContact O-N 3.11Å; K76-G78 PolarHBondContact O-N 3.15Å; G78-P80 VanDerWaalsContact C-CD 3.41Å; G78-P80 VanDerWaalsContact O-CD 3.32Å; G78-P80 WeakPolarHBondContact O-CD 3.38Å
79	V	92.1	Very high	93.5	Very high	55 Å²	55	66.4 Å²	66.4	33%	0.333	33%	0.333	S	S	.	.			trans	-119.8	66.8	179.1	-167.9	0	0	0	0	109.3	M74 L77 K81 V121	M74-V79 WeakPolarHBondContact CB-O 3.36Å; M74-V79 CarbonylContact O-C 3.28Å; M74-V79 VanDerWaalsContact O-C 3.28Å; M74-V79 PolarHBondContact O-N 2.74Å; L77-V79 PolarHBondContact O-N 2.76Å; V79-K81 PolarHBondContact O-N 2.99Å; V79-V121 HydrophobicContact CG1-CG2 4.48Å; V79-V121 HydrophobicContact CG2-CG1 4.3Å
80	P	91.6	Very high	93.8	Very high	93 Å²	93	66.5 Å²	66.5	60%	0.604	33%	0.334	S	S	*	.			trans	-59.3	142.1	-178.3	27	-35.2	0	0	0	111	G78	G78-P80 VanDerWaalsContact C-CD 3.41Å; G78-P80 VanDerWaalsContact O-CD 3.32Å; G78-P80 WeakPolarHBondContact O-CD 3.38Å
81	K	95.4	Very high	93.9	Very high	58 Å²	58	70 Å²	70	25%	0.252	35%	0.354	S	S	.	.			trans	-125	148.8	-178.4	-66.6	-57.7	-172.1	-177.4	0	111.2	M74 V79 E85 L86 M89	M74-K81 HydrophobicContact CB-CG 4.31Å; M74-K81 HydrophobicContact CG-CB 4.46Å; M74-K81 HydrophobicContact CG-CG 3.94Å; M74-K81 HydrophobicContact SD-CG 4.1Å; V79-K81 PolarHBondContact O-N 2.99Å; K81-E85 HydrophobicContact CB-CB 4.15Å; K81-E85 HydrophobicContact CD-CB 4.36Å; K81-E85 IonicContact NZ-OE1 2.74Å; K81-L86 HydrophobicContact CB-CD2 3.76Å; K81-L86 HydrophobicContact CB-CG 3.82Å; K81-L86 HydrophobicContact CG-CD2 4.41Å; K81-M89 HydrophobicContact CG-SD 4.14Å
82	T	97.8	Very high	94.1	Very high	79 Å²	79	70.1 Å²	70.1	49%	0.485	36%	0.356	S	S	.	.			trans	-68.6	157.2	170.9	64.2	0	0	0	0	110.8	L84 E85 L86	T82-L84 PolarHBondContact O-N 3.26Å; T82-E85 WeakPolarHBondContact CB-OE2 3.31Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.39Å; T82-E85 PolarHBondContact N-OE2 3.23Å; T82-E85 PolarHBondContact O-N 3.44Å; T82-E85 VanDerWaalsContact O-N 3.12Å; T82-E85 VanDerWaalsContact OG1-CG 3.28Å; T82-E85 WeakPolarHBondContact OG1-CG 3.4Å; T82-E85 PolarHBondContact OG1-N 2.92Å; T82-E85 PolarHBondContact OG1-OE2 3.28Å; T82-L86 WeakPolarHBondContact O-CG 3.34Å; T82-L86 PolarHBondContact O-N 3.43Å
83	H	96.8	Very high	94.4	Very high	110 Å²	110	63.8 Å²	63.8	51%	0.509	34%	0.335	S	S	.	.	H	α-helix	trans	-55.7	-35.6	176.8	-174	95.9	0	0	0	112.9	L67 K87	L67-H83 WeakPolarHBondContact CD2-CE1 3.28Å; H83-K87 WeakPolarHBondContact NE2-CE 3.32Å; H83-K87 PolarHBondContact NE2-NZ 3.31Å; H83-K87 PolarHBondContact O-N 3.29Å; H83-K87 VanDerWaalsContact O-N 3.12Å
84	L	97.6	Very high	94.6	Very high	110 Å²	110	64.3 Å²	64.3	58%	0.576	34%	0.338	S	S	*	.	H	α-helix	trans	-70	-42	177.8	-178.2	61.8	0	0	0	112.1	T82 K87 K88	T82-L84 PolarHBondContact O-N 3.26Å; L84-K87 PolarHBondContact O-N 3.42Å; L84-K88 WeakPolarHBondContact O-CG 3.12Å; L84-K88 PolarHBondContact O-N 3.21Å
85	E	97.8	Very high	94.7	Very high	75 Å²	75	67.7 Å²	67.7	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-44.8	174.9	-73.5	168.3	112.3	0	0	111.2	K81 T82 K87 K88 M89	K81-E85 HydrophobicContact CB-CB 4.15Å; K81-E85 HydrophobicContact CD-CB 4.36Å; K81-E85 IonicContact NZ-OE1 2.74Å; T82-E85 WeakPolarHBondContact CB-OE2 3.31Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.39Å; T82-E85 PolarHBondContact N-OE2 3.23Å; T82-E85 PolarHBondContact O-N 3.44Å; T82-E85 VanDerWaalsContact O-N 3.12Å; T82-E85 VanDerWaalsContact OG1-CG 3.28Å; T82-E85 WeakPolarHBondContact OG1-CG 3.4Å; T82-E85 PolarHBondContact OG1-N 2.92Å; T82-E85 PolarHBondContact OG1-OE2 3.28Å; E85-K87 VanDerWaalsContact C-N 3.35Å; E85-K87 PolarHBondContact O-N 2.95Å; E85-K88 WeakPolarHBondContact O-CB 3.13Å; E85-K88 PolarHBondContact O-N 3.3Å; E85-K88 VanDerWaalsContact O-N 3.11Å; E85-M89 VanDerWaalsContact O-CG 3.26Å; E85-M89 WeakPolarHBondContact O-CG 3.37Å; E85-M89 PolarHBondContact O-N 3.02Å
86	L	97.6	Very high	94.8	Very high	3 Å²	3	65 Å²	65	2%	0.016	37%	0.373	C	S	.	.	H	α-helix	trans	-58.4	-45.5	177.6	-66.9	169	0	0	0	111.8	L67 L70 K71 M74 K81 T82 K88 M89 I90	L67-L86 HydrophobicContact CD1-CB 3.58Å; L70-L86 HydrophobicContact CB-CD2 4.41Å; L70-L86 HydrophobicContact CD2-CB 4.41Å; L70-L86 HydrophobicContact CD2-CD2 3.98Å; L70-L86 HydrophobicContact CG-CD2 3.77Å; K71-L86 HydrophobicContact CB-CD1 3.65Å; K71-L86 HydrophobicContact CG-CD1 3.9Å; M74-L86 HydrophobicContact CB-CD2 4.46Å; M74-L86 HydrophobicContact CG-CD2 3.84Å; K81-L86 HydrophobicContact CB-CD2 3.76Å; K81-L86 HydrophobicContact CB-CG 3.82Å; K81-L86 HydrophobicContact CG-CD2 4.41Å; T82-L86 WeakPolarHBondContact O-CG 3.34Å; T82-L86 PolarHBondContact O-N 3.43Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.25Å; L86-M89 WeakPolarHBondContact O-CB 3.49Å; L86-M89 PolarHBondContact O-N 2.64Å; L86-I90 WeakPolarHBondContact O-CG1 3.43Å; L86-I90 PolarHBondContact O-N 3.25Å; L86-I90 VanDerWaalsContact O-N 3.08Å
87	K	97.5	Very high	95.1	Very high	107 Å²	107	64.1 Å²	64.1	47%	0.465	38%	0.382	S	S	.	.	H	α-helix	trans	-59.2	-43.5	174.4	-80.5	-179.1	164.6	167.2	0	112.3	L67 H83 L84 E85 M89 I90 V91	L67-K87 HydrophobicContact CD1-CG 3.86Å; L67-K87 HydrophobicContact CD2-CG 4.28Å; H83-K87 WeakPolarHBondContact NE2-CE 3.32Å; H83-K87 PolarHBondContact NE2-NZ 3.31Å; H83-K87 PolarHBondContact O-N 3.29Å; H83-K87 VanDerWaalsContact O-N 3.12Å; L84-K87 PolarHBondContact O-N 3.42Å; E85-K87 VanDerWaalsContact C-N 3.35Å; E85-K87 PolarHBondContact O-N 2.95Å; K87-M89 VanDerWaalsContact C-N 3.33Å; K87-M89 PolarHBondContact O-N 3.45Å; K87-I90 PolarHBondContact O-N 3.35Å; K87-V91 WeakPolarHBondContact O-CG2 3.35Å; K87-V91 PolarHBondContact O-N 2.98Å; K87-V91 VanDerWaalsContact O-N 3.11Å
88	K	97.6	Very high	95.4	Very high	137 Å²	137	64.1 Å²	64.1	60%	0.596	39%	0.385	S	S	*	.	H	α-helix	trans	-63.6	-39.3	177.1	-74	179.7	178	-176.5	0	112	L84 E85 L86 V91 E92	L84-K88 WeakPolarHBondContact O-CG 3.12Å; L84-K88 PolarHBondContact O-N 3.21Å; E85-K88 WeakPolarHBondContact O-CB 3.13Å; E85-K88 PolarHBondContact O-N 3.3Å; E85-K88 VanDerWaalsContact O-N 3.11Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.25Å; K88-V91 PolarHBondContact O-N 3.41Å; K88-E92 WeakPolarHBondContact O-CB 2.92Å; K88-E92 PolarHBondContact O-N 3.2Å
89	M	97.4	Very high	95.7	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.025	39%	0.391	C	S	.	.	H	α-helix	trans	-62.8	-42	177	-69.3	171.8	67.6	0	0	111.8	L70 M74 K81 E85 L86 K87 E92 V93 V117 L118	L70-M89 HydrophobicContact CD2-CB 4.03Å; M74-M89 HydrophobicContact CE-CE 3.55Å; M74-M89 HydrophobicContact SD-CE 3.87Å; K81-M89 HydrophobicContact CG-SD 4.14Å; E85-M89 VanDerWaalsContact O-CG 3.26Å; E85-M89 WeakPolarHBondContact O-CG 3.37Å; E85-M89 PolarHBondContact O-N 3.02Å; L86-M89 WeakPolarHBondContact O-CB 3.49Å; L86-M89 PolarHBondContact O-N 2.64Å; K87-M89 VanDerWaalsContact C-N 3.33Å; K87-M89 PolarHBondContact O-N 3.45Å; M89-E92 PolarHBondContact O-N 3.35Å; M89-V93 WeakPolarHBondContact O-CG2 3.17Å; M89-V93 PolarHBondContact O-N 3.49Å; M89-V93 VanDerWaalsContact O-N 3.17Å; M89-V117 HydrophobicContact CE-CB 4.3Å; M89-V117 HydrophobicContact CE-CG1 3.98Å; M89-V117 HydrophobicContact CG-CB 4.1Å; M89-V117 HydrophobicContact CG-CG1 4.29Å; M89-V117 HydrophobicContact SD-CB 4.48Å; M89-V117 HydrophobicContact SD-CG1 4.05Å; M89-L118 HydrophobicContact CE-CB 3.71Å; M89-L118 HydrophobicContact CE-CD1 4.3Å
90	I	96.4	Very high	95.8	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-61.7	-49.2	175.1	-65.5	176	0	0	0	110.5	L67 L70 L86 K87 E92 V93 T94 N99 I101	L67-I90 HydrophobicContact CB-CD1 4.25Å; L67-I90 HydrophobicContact CD1-CD1 3.74Å; L70-I90 HydrophobicContact CD2-CD1 4.24Å; L70-I90 HydrophobicContact CD2-CG1 3.67Å; L86-I90 WeakPolarHBondContact O-CG1 3.43Å; L86-I90 PolarHBondContact O-N 3.25Å; L86-I90 VanDerWaalsContact O-N 3.08Å; K87-I90 PolarHBondContact O-N 3.35Å; I90-E92 VanDerWaalsContact C-N 3.29Å; I90-E92 PolarHBondContact O-N 3.17Å; I90-V93 PolarHBondContact O-N 3.46Å; I90-V93 VanDerWaalsContact O-N 3.11Å; I90-T94 HydrophobicContact CG2-CG2 4.09Å; I90-T94 WeakPolarHBondContact O-CG2 3.38Å; I90-T94 PolarHBondContact O-N 3.15Å; I90-T94 PolarHBondContact O-OG1 3.21Å; I90-T94 VanDerWaalsContact O-OG1 3.13Å; I90-N99 WeakPolarHBondContact CD1-O 3.49Å; I90-I101 HydrophobicContact CB-CG1 4.43Å; I90-I101 HydrophobicContact CG1-CD1 4.15Å; I90-I101 HydrophobicContact CG1-CG1 4.22Å; I90-I101 HydrophobicContact CG2-CG1 4.16Å
91	V	96.9	Very high	95.9	Very high	72 Å²	72	62.1 Å²	62.1	44%	0.436	35%	0.354	S	S	.	.	H	α-helix	trans	-60.2	-39.2	178.8	170.8	0	0	0	0	112	K87 K88 V93 G95 G96	K87-V91 WeakPolarHBondContact O-CG2 3.35Å; K87-V91 PolarHBondContact O-N 2.98Å; K87-V91 VanDerWaalsContact O-N 3.11Å; K88-V91 PolarHBondContact O-N 3.41Å; V91-V93 VanDerWaalsContact C-N 3.28Å; V91-V93 PolarHBondContact O-N 2.78Å; V91-G95 CarbonylContact O-C 3.56Å; V91-G95 VanDerWaalsContact O-CA 3.3Å; V91-G95 WeakPolarHBondContact O-CA 2.94Å; V91-G95 PolarHBondContact O-N 3.11Å; V91-G96 PolarHBondContact O-N 2.93Å; V91-G96 VanDerWaalsContact O-N 3.14Å
92	E	96.7	Very high	95.9	Very high	92 Å²	92	61.5 Å²	61.5	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-60.6	-38.3	176.6	-177.9	177.5	-148.6	0	0	111.9	K88 M89 I90 A116 V117	K88-E92 WeakPolarHBondContact O-CB 2.92Å; K88-E92 PolarHBondContact O-N 3.2Å; M89-E92 PolarHBondContact O-N 3.35Å; I90-E92 VanDerWaalsContact C-N 3.29Å; I90-E92 PolarHBondContact O-N 3.17Å; E92-A116 HydrophobicContact CG-CB 4.02Å; E92-A116 WeakPolarHBondContact OE1-CA 3.36Å; E92-V117 PolarHBondContact OE2-N 2.79Å
93	V	96.2	Very high	95.8	Very high	20 Å²	20	58 Å²	58	12%	0.121	33%	0.331	C	S	.	.	H	α-helix	trans	-80.2	-43.9	-178.6	174.6	0	0	0	0	112.2	M89 I90 V91 G95 I101 D105 M109 A116 L118	M89-V93 WeakPolarHBondContact O-CG2 3.17Å; M89-V93 PolarHBondContact O-N 3.49Å; M89-V93 VanDerWaalsContact O-N 3.17Å; I90-V93 PolarHBondContact O-N 3.46Å; I90-V93 VanDerWaalsContact O-N 3.11Å; V91-V93 VanDerWaalsContact C-N 3.28Å; V91-V93 PolarHBondContact O-N 2.78Å; V93-G95 VanDerWaalsContact C-N 3.34Å; V93-I101 HydrophobicContact CB-CD1 4.07Å; V93-I101 HydrophobicContact CB-CG1 4.24Å; V93-I101 HydrophobicContact CG1-CB 4.5Å; V93-I101 HydrophobicContact CG1-CD1 4.11Å; V93-I101 HydrophobicContact CG1-CG1 4.08Å; V93-I101 HydrophobicContact CG1-CG2 3.66Å; V93-I101 HydrophobicContact CG2-CD1 4.22Å; V93-D105 HydrophobicContact CG1-CB 3.97Å; V93-M109 HydrophobicContact CG1-CB 4.18Å; V93-M109 HydrophobicContact CG1-SD 4.33Å; V93-M109 HydrophobicContact CG2-CG 4.16Å; V93-M109 HydrophobicContact CG2-SD 3.39Å; V93-M109 WeakPolarHBondContact CG2-SD 3.48Å; V93-A116 HydrophobicContact CG2-CB 4.41Å; V93-L118 HydrophobicContact CG2-CD2 4.38Å
94	T	96.2	Very high	95.7	Very high	12 Å²	12	57.8 Å²	57.8	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-82.6	-13.3	-177.4	66	0	0	0	0	112.8	I90 G96 S97 S98 T100 I101	I90-T94 HydrophobicContact CG2-CG2 4.09Å; I90-T94 WeakPolarHBondContact O-CG2 3.38Å; I90-T94 PolarHBondContact O-N 3.15Å; I90-T94 PolarHBondContact O-OG1 3.21Å; I90-T94 VanDerWaalsContact O-OG1 3.13Å; T94-G96 PolarHBondContact O-N 2.92Å; T94-G96 PolarHBondContact OG1-N 3.38Å; T94-S97 PolarHBondContact O-OG 3.42Å; T94-S97 VanDerWaalsContact O-OG 3.06Å; T94-S98 PolarHBondContact OG1-O 2.94Å; T94-S98 VanDerWaalsContact OG1-O 3.07Å; T94-T100 WeakPolarHBondContact CG2-O 3.49Å; T94-I101 HydrophobicContact CG2-CG1 4.29Å
95	G	94.2	Very high	95.6	Very high	70 Å²	70	53.4 Å²	53.4	72%	0.722	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	20.3	-168.6	0	0	0	0	0	113	V91 V93	V91-G95 CarbonylContact O-C 3.56Å; V91-G95 VanDerWaalsContact O-CA 3.3Å; V91-G95 WeakPolarHBondContact O-CA 2.94Å; V91-G95 PolarHBondContact O-N 3.11Å; V93-G95 VanDerWaalsContact C-N 3.34Å
96	G	93.4	Very high	95.5	Very high	48 Å²	48	49.9 Å²	49.9	50%	0.495	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	7.1	178.4	0	0	0	0	0	115.3	V91 T94	V91-G96 PolarHBondContact O-N 2.93Å; V91-G96 VanDerWaalsContact O-N 3.14Å; T94-G96 PolarHBondContact O-N 2.92Å; T94-G96 PolarHBondContact OG1-N 3.38Å
97	S	91.9	Very high	95.4	Very high	103 Å²	103	49.7 Å²	49.7	72%	0.72	29%	0.286	S	S	*	.	S	Bend	trans	-82.9	-15.4	177.8	62.6	0	0	0	0	113.9	T94	T94-S97 PolarHBondContact O-OG 3.42Å; T94-S97 VanDerWaalsContact O-OG 3.06Å
98	S	94.1	Very high	95.3	Very high	34 Å²	34	49.4 Å²	49.4	24%	0.238	29%	0.285	C	S	.	.			trans	-144.4	155.4	179.6	-170.6	0	0	0	0	112.4	T94 T100	T94-S98 PolarHBondContact OG1-O 2.94Å; T94-S98 VanDerWaalsContact OG1-O 3.07Å; S98-T100 WeakPolarHBondContact CB-O 3.5Å; S98-T100 PolarHBondContact OG-N 2.88Å; S98-T100 VanDerWaalsContact OG-N 3.16Å; S98-T100 PolarHBondContact OG-O 3.33Å; S98-T100 PolarHBondContact OG-OG1 2.93Å
99	N	93.9	Very high	95.2	Very high	139 Å²	139	43.6 Å²	43.6	74%	0.743	26%	0.26	S	S	*	.	S	Bend	trans	-93.3	2.9	171.8	-66	-34.3	0	0	0	112.9	I90	I90-N99 WeakPolarHBondContact CD1-O 3.49Å
100	T	94.6	Very high	95	Very high	26 Å²	26	44.7 Å²	44.7	16%	0.16	27%	0.265	C	S	.	.	S	Bend	trans	-132.6	153.1	177.7	54.5	0	0	0	0	108.7	E64 I65 D66 T94 S98	E64-T100 VanDerWaalsContact OE2-CB 3.29Å; E64-T100 WeakPolarHBondContact OE2-CB 3.37Å; E64-T100 PolarHBondContact OE2-OG1 3.35Å; I65-T100 WeakPolarHBondContact O-CA 3.41Å; D66-T100 HydrophobicContact CB-CG2 4.11Å; T94-T100 WeakPolarHBondContact CG2-O 3.49Å; S98-T100 WeakPolarHBondContact CB-O 3.5Å; S98-T100 PolarHBondContact OG-N 2.88Å; S98-T100 VanDerWaalsContact OG-N 3.16Å; S98-T100 PolarHBondContact OG-O 3.33Å; S98-T100 PolarHBondContact OG-OG1 2.93Å
101	I	95	Very high	94.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-101.3	112.3	176.2	-57.9	169.5	0	0	0	107.8	Y54 I65 I90 V93 T94 D105 F106 L118	Y54-I101 PolarHBondContact OH-O 3.08Å; Y54-I101 VanDerWaalsContact OH-O 3.13Å; I65-I101 HydrophobicContact CB-CB 4.27Å; I65-I101 PolarHBondContact N-O 2.9Å; I65-I101 PolarHBondContact O-N 2.92Å; I90-I101 HydrophobicContact CB-CG1 4.43Å; I90-I101 HydrophobicContact CG1-CD1 4.15Å; I90-I101 HydrophobicContact CG1-CG1 4.22Å; I90-I101 HydrophobicContact CG2-CG1 4.16Å; V93-I101 HydrophobicContact CB-CD1 4.07Å; V93-I101 HydrophobicContact CB-CG1 4.24Å; V93-I101 HydrophobicContact CG1-CB 4.5Å; V93-I101 HydrophobicContact CG1-CD1 4.11Å; V93-I101 HydrophobicContact CG1-CG1 4.08Å; V93-I101 HydrophobicContact CG1-CG2 3.66Å; V93-I101 HydrophobicContact CG2-CD1 4.22Å; T94-I101 HydrophobicContact CG2-CG1 4.29Å; I101-D105 HydrophobicContact CG2-CB 4.12Å; I101-F106 HydrophobicContact CG2-CB 4.13Å; I101-L118 HydrophobicContact CD1-CD2 3.86Å
102	N	94.6	Very high	94.7	Very high	45 Å²	45	43.3 Å²	43.3	24%	0.241	26%	0.262	C	S	.	.			trans	-79.7	168.4	169.8	67	57	0	0	0	111.1	Y54 E64 R104 D105 F106	Y54-N102 WeakPolarHBondContact OH-CA 3.32Å; E64-N102 HydrophobicContact CG-CB 4.19Å; N102-R104 VanDerWaalsContact C-N 3.31Å; N102-R104 PolarHBondContact O-N 3.32Å; N102-R104 WeakPolarHBondContact OD1-CA 3.25Å; N102-R104 WeakPolarHBondContact OD1-CB 3.17Å; N102-R104 PolarHBondContact OD1-N 3.45Å; N102-D105 VanDerWaalsContact CG-OD2 3.25Å; N102-D105 PolarHBondContact ND2-OD2 3.01Å; N102-D105 PolarHBondContact O-N 3.48Å; N102-D105 PolarHBondContact OD1-N 3.42Å; N102-D105 PolarHBondContact OD1-OD2 3.23Å; N102-F106 PolarHBondContact O-N 2.98Å; N102-F106 VanDerWaalsContact O-N 3.08Å
103	Y	94.7	Very high	94.4	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-35.4	-176.6	-174.6	-124.5	0	0	0	113.7	L24 I27 N28 L47 K51 Y54 D105 F106 V107	L24-Y103 HydrophobicContact CB-CD1 4.29Å; L24-Y103 HydrophobicContact CB-CE1 4.15Å; L24-Y103 HydrophobicContact CD2-CD1 3.65Å; L24-Y103 HydrophobicContact CD2-CD2 3.94Å; L24-Y103 HydrophobicContact CD2-CE1 4.28Å; L24-Y103 HydrophobicContact CD2-CG 3.47Å; L24-Y103 VanDerWaalsContact CD2-CG 3.47Å; I27-Y103 HydrophobicContact CB-CD1 3.86Å; I27-Y103 HydrophobicContact CB-CE1 4.12Å; I27-Y103 HydrophobicContact CD1-CD1 3.9Å; I27-Y103 HydrophobicContact CG1-CD1 4.49Å; I27-Y103 HydrophobicContact CG2-CD1 3.58Å; I27-Y103 HydrophobicContact CG2-CE1 3.88Å; N28-Y103 VanDerWaalsContact OD1-CE1 3.23Å; N28-Y103 WeakPolarHBondContact OD1-CE1 3.32Å; N28-Y103 PolarHBondContact OD1-OH 3.13Å; L47-Y103 PolarHBondContact O-OH 3.49Å; K51-Y103 WeakPolarHBondContact CA-OH 3.24Å; K51-Y103 WeakPolarHBondContact CB-OH 3.5Å; K51-Y103 PolarHBondContact N-OH 2.98Å; Y54-Y103 AromaticContact CD1-CD2 3.81Å; Y54-Y103 HydrophobicContact CD1-CD2 3.81Å; Y54-Y103 HydrophobicContact CD1-CG 4.45Å; Y54-Y103 AromaticContact CD2-CD2 3.76Å; Y54-Y103 HydrophobicContact CD2-CD2 3.76Å; Y54-Y103 HydrophobicContact CE1-CD2 4.29Å; Y54-Y103 HydrophobicContact CE2-CD2 4.21Å; Y54-Y103 AromaticContact CG-CD2 3.51Å; Y54-Y103 HydrophobicContact CG-CD2 3.51Å; Y54-Y103 HydrophobicContact CG-CE2 4.13Å; Y54-Y103 HydrophobicContact CG-CG 4.49Å; Y54-Y103 PolarHBondContact OH-N 2.96Å; Y54-Y103 VanDerWaalsContact OH-N 3.09Å; Y103-D105 VanDerWaalsContact C-N 3.35Å; Y103-D105 PolarHBondContact O-N 2.94Å; Y103-F106 WeakPolarHBondContact O-CB 3.35Å; Y103-F106 PolarHBondContact O-N 3.47Å; Y103-V107 HydrophobicContact CD1-CG2 4.35Å; Y103-V107 HydrophobicContact CD2-CG2 4.21Å; Y103-V107 HydrophobicContact CE1-CG2 3.89Å; Y103-V107 HydrophobicContact CE2-CG2 3.75Å; Y103-V107 HydrophobicContact CG-CG2 4.48Å; Y103-V107 WeakPolarHBondContact O-CG2 3.39Å; Y103-V107 PolarHBondContact O-N 3.4Å
104	R	95.4	Very high	94.1	Very high	106 Å²	106	58.8 Å²	58.8	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-39.3	178.5	-70.8	-173.2	174.7	123.6	-4.4	111.2	I27 E30 Y31 N102 F106 K108	I27-R104 HydrophobicContact CG2-CG 3.81Å; E30-R104 VanDerWaalsContact CD-NH2 3.33Å; E30-R104 IonicContact OE1-NH2 3.51Å; E30-R104 PolarHBondContact OE1-NH2 3.36Å; E30-R104 VanDerWaalsContact OE1-NH2 3.11Å; E30-R104 IonicContact OE2-CZ 2.69Å; E30-R104 IonicContact OE2-NE 2.71Å; E30-R104 PolarHBondContact OE2-NE 3.3Å; E30-R104 IonicContact OE2-NH2 3.11Å; E30-R104 PolarHBondContact OE2-NH2 3.11Å; Y31-R104 HydrophobicContact CE2-CG 4.31Å; Y31-R104 PolarHBondContact OH-O 2.9Å; Y31-R104 VanDerWaalsContact OH-O 3.1Å; N102-R104 VanDerWaalsContact C-N 3.31Å; N102-R104 PolarHBondContact O-N 3.32Å; N102-R104 WeakPolarHBondContact OD1-CA 3.25Å; N102-R104 WeakPolarHBondContact OD1-CB 3.17Å; N102-R104 PolarHBondContact OD1-N 3.45Å; R104-F106 VanDerWaalsContact C-N 3.34Å; R104-K108 WeakPolarHBondContact O-CB 3.39Å; R104-K108 VanDerWaalsContact O-CG 3.22Å; R104-K108 WeakPolarHBondContact O-CG 3.46Å; R104-K108 PolarHBondContact O-N 2.93Å
105	D	96	Very high	93.8	Very high	19 Å²	19	62.3 Å²	62.3	10%	0.102	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-40.1	176.3	-62.4	-28.1	0	0	0	111	V93 I101 N102 Y103 K108 M109	V93-D105 HydrophobicContact CG1-CB 3.97Å; I101-D105 HydrophobicContact CG2-CB 4.12Å; N102-D105 VanDerWaalsContact CG-OD2 3.25Å; N102-D105 PolarHBondContact ND2-OD2 3.01Å; N102-D105 PolarHBondContact O-N 3.48Å; N102-D105 PolarHBondContact OD1-N 3.42Å; N102-D105 PolarHBondContact OD1-OD2 3.23Å; Y103-D105 VanDerWaalsContact C-N 3.35Å; Y103-D105 PolarHBondContact O-N 2.94Å; D105-K108 PolarHBondContact O-N 3.21Å; D105-M109 WeakPolarHBondContact O-CB 3.42Å; D105-M109 PolarHBondContact O-N 2.97Å
106	F	95.3	Very high	93.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-49.1	174.8	-171.3	-99.1	0	0	0	112.7	L50 Y54 I65 I101 N102 Y103 R104 M109 M110 L122	L50-F106 HydrophobicContact CB-CE1 4.28Å; L50-F106 HydrophobicContact CD2-CE1 3.88Å; Y54-F106 HydrophobicContact CD2-CB 3.86Å; Y54-F106 AromaticContact CD2-CD1 3.97Å; Y54-F106 HydrophobicContact CD2-CD1 3.97Å; Y54-F106 HydrophobicContact CD2-CD2 4.18Å; Y54-F106 AromaticContact CD2-CG 3.75Å; Y54-F106 HydrophobicContact CD2-CG 3.75Å; Y54-F106 HydrophobicContact CE2-CB 4.05Å; Y54-F106 HydrophobicContact CE2-CG 4.38Å; I65-F106 HydrophobicContact CD1-CD2 4.35Å; I101-F106 HydrophobicContact CG2-CB 4.13Å; N102-F106 PolarHBondContact O-N 2.98Å; N102-F106 VanDerWaalsContact O-N 3.08Å; Y103-F106 WeakPolarHBondContact O-CB 3.35Å; Y103-F106 PolarHBondContact O-N 3.47Å; R104-F106 VanDerWaalsContact C-N 3.34Å; F106-M109 HydrophobicContact CD2-CE 3.73Å; F106-M109 HydrophobicContact CE2-CE 3.82Å; F106-M109 HydrophobicContact CG-CE 4.42Å; F106-M109 WeakPolarHBondContact O-CB 3.36Å; F106-M109 PolarHBondContact O-N 3.47Å; F106-M110 HydrophobicContact CD1-CG 4.43Å; F106-M110 HydrophobicContact CE1-CG 4.21Å; F106-M110 HydrophobicContact CZ-CG 4.39Å; F106-M110 WeakPolarHBondContact O-CG 3.43Å; F106-M110 PolarHBondContact O-N 3.39Å; F106-L122 HydrophobicContact CE2-CD1 3.63Å; F106-L122 HydrophobicContact CZ-CD1 3.68Å
107	V	95.4	Very high	93.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-43.8	176.9	173.8	0	0	0	0	111.1	Y31 L47 L50 Y103 M109 M110 L111	Y31-V107 HydrophobicContact CD1-CG1 4.06Å; Y31-V107 HydrophobicContact CD2-CG1 3.97Å; Y31-V107 HydrophobicContact CE1-CG1 3.87Å; Y31-V107 HydrophobicContact CE2-CB 3.93Å; Y31-V107 HydrophobicContact CE2-CG1 3.75Å; Y31-V107 HydrophobicContact CE2-CG2 4.32Å; Y31-V107 HydrophobicContact CG-CG1 4.13Å; L47-V107 HydrophobicContact CD2-CG1 3.66Å; L47-V107 HydrophobicContact CD2-CG2 4.29Å; L50-V107 HydrophobicContact CD1-CG1 4.46Å; L50-V107 HydrophobicContact CD1-CG2 4.3Å; Y103-V107 HydrophobicContact CD1-CG2 4.35Å; Y103-V107 HydrophobicContact CD2-CG2 4.21Å; Y103-V107 HydrophobicContact CE1-CG2 3.89Å; Y103-V107 HydrophobicContact CE2-CG2 3.75Å; Y103-V107 HydrophobicContact CG-CG2 4.48Å; Y103-V107 WeakPolarHBondContact O-CG2 3.39Å; Y103-V107 PolarHBondContact O-N 3.4Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 3.26Å; V107-M110 PolarHBondContact O-N 3.47Å; V107-M110 VanDerWaalsContact O-N 3.15Å; V107-L111 HydrophobicContact CG1-CD1 3.61Å; V107-L111 HydrophobicContact CG1-CG 4.07Å; V107-L111 PolarHBondContact O-N 2.76Å
108	K	95.3	Very high	94.1	Very high	100 Å²	100	54.8 Å²	54.8	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-40	176.4	-75.3	170.1	-170.5	168.4	0	112.3	R104 D105 G112	R104-K108 WeakPolarHBondContact O-CB 3.39Å; R104-K108 VanDerWaalsContact O-CG 3.22Å; R104-K108 WeakPolarHBondContact O-CG 3.46Å; R104-K108 PolarHBondContact O-N 2.93Å; D105-K108 PolarHBondContact O-N 3.21Å; K108-G112 WeakPolarHBondContact O-CA 3.45Å; K108-G112 PolarHBondContact O-N 3.33Å
109	M	95.6	Very high	94.1	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-48.1	173.9	173.7	-164	66.4	0	0	110.5	V93 D105 F106 V107 A116 L118 K119 L122	V93-M109 HydrophobicContact CG1-CB 4.18Å; V93-M109 HydrophobicContact CG1-SD 4.33Å; V93-M109 HydrophobicContact CG2-CG 4.16Å; V93-M109 HydrophobicContact CG2-SD 3.39Å; V93-M109 WeakPolarHBondContact CG2-SD 3.48Å; D105-M109 WeakPolarHBondContact O-CB 3.42Å; D105-M109 PolarHBondContact O-N 2.97Å; F106-M109 HydrophobicContact CD2-CE 3.73Å; F106-M109 HydrophobicContact CE2-CE 3.82Å; F106-M109 HydrophobicContact CG-CE 4.42Å; F106-M109 WeakPolarHBondContact O-CB 3.36Å; F106-M109 PolarHBondContact O-N 3.47Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 3.26Å; M109-A116 HydrophobicContact CG-CB 3.86Å; M109-A116 HydrophobicContact SD-CB 4.01Å; M109-L118 HydrophobicContact CE-CB 4.4Å; M109-L118 HydrophobicContact CE-CD2 3.87Å; M109-L118 HydrophobicContact CE-CG 3.81Å; M109-L118 HydrophobicContact SD-CB 3.76Å; M109-L118 HydrophobicContact SD-CD2 3.88Å; M109-L118 HydrophobicContact SD-CG 3.82Å; M109-K119 HydrophobicContact CG-CB 3.99Å; M109-K119 WeakPolarHBondContact O-CD 3.39Å; M109-K119 PolarHBondContact O-NZ 2.97Å; M109-K119 HydrophobicContact SD-CB 4.16Å; M109-L122 HydrophobicContact CE-CD1 4.24Å
110	M	94.6	Very high	94.1	Very high	27 Å²	27	51.4 Å²	51.4	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-71.6	-40.3	-173.9	-69.6	-65.2	-72.1	0	0	113.4	L50 F106 V107 K119 L122	L50-M110 HydrophobicContact CD1-CB 3.68Å; L50-M110 HydrophobicContact CD1-CG 4.37Å; L50-M110 HydrophobicContact CD2-CB 3.66Å; L50-M110 HydrophobicContact CD2-CE 3.59Å; L50-M110 HydrophobicContact CD2-CG 3.53Å; L50-M110 HydrophobicContact CD2-SD 4.38Å; L50-M110 HydrophobicContact CG-CB 4.33Å; F106-M110 HydrophobicContact CD1-CG 4.43Å; F106-M110 HydrophobicContact CE1-CG 4.21Å; F106-M110 HydrophobicContact CZ-CG 4.39Å; F106-M110 WeakPolarHBondContact O-CG 3.43Å; F106-M110 PolarHBondContact O-N 3.39Å; V107-M110 PolarHBondContact O-N 3.47Å; V107-M110 VanDerWaalsContact O-N 3.15Å; M110-K119 VanDerWaalsContact O-CE 3.32Å; M110-K119 WeakPolarHBondContact O-CE 3.42Å; M110-K119 PolarHBondContact O-NZ 3.47Å; M110-K119 HydrophobicContact SD-CB 4.35Å; M110-K119 HydrophobicContact SD-CG 3.99Å; M110-L122 HydrophobicContact CE-CB 4.32Å; M110-L122 HydrophobicContact SD-CB 4.48Å; M110-L122 HydrophobicContact SD-CD1 4.1Å
111	L	94	Very high	94	Very high	22 Å²	22	51.2 Å²	51.2	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-85.5	-18.5	176.7	-58.1	-177.5	0	0	0	113.1	Y37 E40 L43 K46 L47 L50 V107	Y37-L111 HydrophobicContact CD1-CB 4.29Å; Y37-L111 HydrophobicContact CD1-CD1 3.81Å; Y37-L111 HydrophobicContact CE1-CB 3.87Å; Y37-L111 HydrophobicContact CE1-CD1 3.84Å; E40-L111 HydrophobicContact CG-CD2 4.41Å; L43-L111 HydrophobicContact CD1-CD1 3.58Å; L43-L111 HydrophobicContact CD1-CD2 4.34Å; K46-L111 HydrophobicContact CB-CD2 4.45Å; K46-L111 HydrophobicContact CD-CD2 4.21Å; L47-L111 HydrophobicContact CD2-CD1 4.24Å; L50-L111 HydrophobicContact CD1-CD2 4.43Å; L50-L111 HydrophobicContact CD1-CG 4.48Å; V107-L111 HydrophobicContact CG1-CD1 3.61Å; V107-L111 HydrophobicContact CG1-CG 4.07Å; V107-L111 PolarHBondContact O-N 2.76Å
112	G	92.3	Very high	93.7	Very high	26 Å²	26	51.2 Å²	51.2	27%	0.268	25%	0.248	S	C	.	.	S	Bend	trans	-70	155.4	-176.6	0	0	0	0	0	113.8	K108 R114 K119	K108-G112 WeakPolarHBondContact O-CA 3.45Å; K108-G112 PolarHBondContact O-N 3.33Å; G112-R114 VanDerWaalsContact C-N 3.27Å; G112-R114 PolarHBondContact O-N 3.2Å; G112-K119 PolarHBondContact O-NZ 2.98Å
113	K	89.1	Confident	93.3	Very high	215 Å²	215	53 Å²	53	94%	0.935	26%	0.257	S	S	*	.	S	Bend	trans	-72.3	-19.7	175.2	-61	-177.6	-178.2	-179.5	0	113.5
114	R	90.3	Very high	92.7	Very high	222 Å²	222	59.3 Å²	59.3	84%	0.838	29%	0.285	S	S	*	.	S	Bend	trans	-72.9	134.2	179.5	-65.9	-172.2	-178.5	106.2	1.1	109.9	G112	G112-R114 VanDerWaalsContact C-N 3.27Å; G112-R114 PolarHBondContact O-N 3.2Å
115	S	91.5	Very high	91.7	Very high	85 Å²	85	55.6 Å²	55.6	59%	0.594	27%	0.272	S	S	*	.			trans	-78.3	132.6	167.5	-56.4	0	0	0	0	108.7
116	A	94.9	Very high	90	Very high	7 Å²	7	59.6 Å²	59.6	6%	0.058	29%	0.293	C	S	.	.			trans	-121	152.3	166.6	0	0	0	0	0	108.5	E92 V93 M109 L118 K119 L120	E92-A116 HydrophobicContact CG-CB 4.02Å; E92-A116 WeakPolarHBondContact OE1-CA 3.36Å; V93-A116 HydrophobicContact CG2-CB 4.41Å; M109-A116 HydrophobicContact CG-CB 3.86Å; M109-A116 HydrophobicContact SD-CB 4.01Å; A116-L118 PolarHBondContact O-N 3.1Å; A116-K119 HydrophobicContact CB-CB 4.24Å; A116-K119 WeakPolarHBondContact O-CB 3.27Å; A116-K119 PolarHBondContact O-N 3.15Å; A116-K119 VanDerWaalsContact O-N 3.12Å; A116-L120 WeakPolarHBondContact O-CG 3.06Å; A116-L120 PolarHBondContact O-N 3.4Å
117	V	94.8	Very high	88.1	Confident	57 Å²	57	68 Å²	68	35%	0.345	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-42.6	179.4	176.4	0	0	0	0	110.5	M89 E92 K119 L120 V121	M89-V117 HydrophobicContact CE-CB 4.3Å; M89-V117 HydrophobicContact CE-CG1 3.98Å; M89-V117 HydrophobicContact CG-CB 4.1Å; M89-V117 HydrophobicContact CG-CG1 4.29Å; M89-V117 HydrophobicContact SD-CB 4.48Å; M89-V117 HydrophobicContact SD-CG1 4.05Å; E92-V117 PolarHBondContact OE2-N 2.79Å; V117-K119 PolarHBondContact O-N 3.48Å; V117-L120 PolarHBondContact O-N 3.23Å; V117-V121 WeakPolarHBondContact O-CG2 3.47Å; V117-V121 PolarHBondContact O-N 3.16Å; V117-V121 VanDerWaalsContact O-N 3.1Å
118	L	94.1	Very high	86.1	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61	-43.8	177.9	176.5	56.6	0	0	0	112	L70 M73 M74 M89 V93 I101 M109 A116 L120 V121 L122	L70-L118 HydrophobicContact CD1-CD1 3.9Å; L70-L118 HydrophobicContact CD1-CD2 4.02Å; M73-L118 HydrophobicContact SD-CD1 3.52Å; M73-L118 VanDerWaalsContact SD-CD1 3.52Å; M74-L118 HydrophobicContact CE-CD1 3.3Å; M89-L118 HydrophobicContact CE-CB 3.71Å; M89-L118 HydrophobicContact CE-CD1 4.3Å; V93-L118 HydrophobicContact CG2-CD2 4.38Å; I101-L118 HydrophobicContact CD1-CD2 3.86Å; M109-L118 HydrophobicContact CE-CB 4.4Å; M109-L118 HydrophobicContact CE-CD2 3.87Å; M109-L118 HydrophobicContact CE-CG 3.81Å; M109-L118 HydrophobicContact SD-CB 3.76Å; M109-L118 HydrophobicContact SD-CD2 3.88Å; M109-L118 HydrophobicContact SD-CG 3.82Å; A116-L118 PolarHBondContact O-N 3.1Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 2.99Å; L118-V121 PolarHBondContact O-N 2.62Å; L118-L122 HydrophobicContact CD1-CD1 3.88Å; L118-L122 HydrophobicContact CD1-CG 4.11Å; L118-L122 HydrophobicContact CG-CD1 4.02Å; L118-L122 WeakPolarHBondContact O-CG 3.45Å; L118-L122 PolarHBondContact O-N 3.36Å; L118-L122 VanDerWaalsContact O-N 3.09Å
119	K	94.6	Very high	83.8	Confident	26 Å²	26	71.1 Å²	71.1	11%	0.113	36%	0.36	C	S	.	.	H	α-helix	trans	-57.5	-46.1	175.5	-177.9	-178.8	-169.3	144.2	0	111.8	M109 M110 G112 A116 V117 L122 L123	M109-K119 HydrophobicContact CG-CB 3.99Å; M109-K119 WeakPolarHBondContact O-CD 3.39Å; M109-K119 PolarHBondContact O-NZ 2.97Å; M109-K119 HydrophobicContact SD-CB 4.16Å; M110-K119 VanDerWaalsContact O-CE 3.32Å; M110-K119 WeakPolarHBondContact O-CE 3.42Å; M110-K119 PolarHBondContact O-NZ 3.47Å; M110-K119 HydrophobicContact SD-CB 4.35Å; M110-K119 HydrophobicContact SD-CG 3.99Å; G112-K119 PolarHBondContact O-NZ 2.98Å; A116-K119 HydrophobicContact CB-CB 4.24Å; A116-K119 WeakPolarHBondContact O-CB 3.27Å; A116-K119 PolarHBondContact O-N 3.15Å; A116-K119 VanDerWaalsContact O-N 3.12Å; V117-K119 PolarHBondContact O-N 3.48Å; K119-L122 PolarHBondContact O-N 3.36Å; K119-L123 HydrophobicContact CD-CD1 4.44Å; K119-L123 HydrophobicContact CG-CD1 3.84Å; K119-L123 HydrophobicContact CG-CG 4.38Å; K119-L123 VanDerWaalsContact O-CG 3.26Å; K119-L123 WeakPolarHBondContact O-CG 3.43Å; K119-L123 PolarHBondContact O-N 3.07Å
120	L	93.8	Very high	81.4	Confident	76 Å²	76	76.1 Å²	76.1	40%	0.398	40%	0.397	S	S	.	.	H	α-helix	trans	-60.7	-50.3	-179.6	-66.8	172.6	0	0	0	110.3	A116 V117 L118 L122 L123 F124	A116-L120 WeakPolarHBondContact O-CG 3.06Å; A116-L120 PolarHBondContact O-N 3.4Å; V117-L120 PolarHBondContact O-N 3.23Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 2.99Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.12Å; L120-L123 PolarHBondContact O-N 2.9Å; L120-L123 VanDerWaalsContact O-N 3.16Å; L120-F124 HydrophobicContact CB-CE2 4.47Å; L120-F124 WeakPolarHBondContact O-CD2 3.42Å; L120-F124 PolarHBondContact O-N 3.43Å; L120-F124 VanDerWaalsContact O-N 3.09Å
121	V	92.2	Very high	79	Confident	21 Å²	21	78.4 Å²	78.4	13%	0.127	42%	0.416	C	S	.	.	H	α-helix	trans	-55	-47.4	179.3	175.4	0	0	0	0	111.3	M74 L77 V79 V117 L118 L123 F124 E125	M74-V121 HydrophobicContact CE-CB 4.45Å; M74-V121 HydrophobicContact CE-CG1 4.21Å; M74-V121 HydrophobicContact SD-CG1 4.19Å; M74-V121 HydrophobicContact SD-CG2 4.35Å; L77-V121 HydrophobicContact CB-CG1 4.27Å; L77-V121 HydrophobicContact CD1-CG1 3.69Å; V79-V121 HydrophobicContact CG1-CG2 4.48Å; V79-V121 HydrophobicContact CG2-CG1 4.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.47Å; V117-V121 PolarHBondContact O-N 3.16Å; V117-V121 VanDerWaalsContact O-N 3.1Å; L118-V121 PolarHBondContact O-N 2.62Å; V121-L123 PolarHBondContact O-N 3.3Å; V121-F124 PolarHBondContact O-N 3.14Å; V121-E125 PolarHBondContact O-N 3.22Å; V121-E125 VanDerWaalsContact O-N 3.15Å
122	L	89.4	Confident	76.5	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	45%	0.45	C	S	.	.	H	α-helix	trans	-67.4	-31	-179.2	-68	170.3	0	0	0	113.8	F57 M73 L77 F106 M109 M110 L118 K119 L120	F57-L122 HydrophobicContact CE2-CD2 4.45Å; M73-L122 HydrophobicContact SD-CD2 4.36Å; L77-L122 HydrophobicContact CD1-CD2 3.96Å; F106-L122 HydrophobicContact CE2-CD1 3.63Å; F106-L122 HydrophobicContact CZ-CD1 3.68Å; M109-L122 HydrophobicContact CE-CD1 4.24Å; M110-L122 HydrophobicContact CE-CB 4.32Å; M110-L122 HydrophobicContact SD-CB 4.48Å; M110-L122 HydrophobicContact SD-CD1 4.1Å; L118-L122 HydrophobicContact CD1-CD1 3.88Å; L118-L122 HydrophobicContact CD1-CG 4.11Å; L118-L122 HydrophobicContact CG-CD1 4.02Å; L118-L122 WeakPolarHBondContact O-CG 3.45Å; L118-L122 PolarHBondContact O-N 3.36Å; L118-L122 VanDerWaalsContact O-N 3.09Å; K119-L122 PolarHBondContact O-N 3.36Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.12Å
123	L	87.1	Confident	74.1	Confident	83 Å²	83	87.3 Å²	87.3	44%	0.435	47%	0.471	S	S	.	.	H	α-helix	trans	-74.4	-29.6	175.7	-71.9	171.3	0	0	0	112.8	K119 L120 V121	K119-L123 HydrophobicContact CD-CD1 4.44Å; K119-L123 HydrophobicContact CG-CD1 3.84Å; K119-L123 HydrophobicContact CG-CG 4.38Å; K119-L123 VanDerWaalsContact O-CG 3.26Å; K119-L123 WeakPolarHBondContact O-CG 3.43Å; K119-L123 PolarHBondContact O-N 3.07Å; L120-L123 PolarHBondContact O-N 2.9Å; L120-L123 VanDerWaalsContact O-N 3.16Å; V121-L123 PolarHBondContact O-N 3.3Å
124	F	81.8	Confident	72.5	Confident	137 Å²	137	85.8 Å²	85.8	60%	0.601	47%	0.465	S	S	*	.	H	α-helix	trans	-81.3	-22.8	176.8	-75.4	-72.6	0	0	0	112.9	L120 V121 K127 A128	L120-F124 HydrophobicContact CB-CE2 4.47Å; L120-F124 WeakPolarHBondContact O-CD2 3.42Å; L120-F124 PolarHBondContact O-N 3.43Å; L120-F124 VanDerWaalsContact O-N 3.09Å; V121-F124 PolarHBondContact O-N 3.14Å; F124-K127 PolarHBondContact O-N 3.39Å; F124-A128 PolarHBondContact O-N 3.11Å
125	E	74.1	Confident	70.4	Confident	29 Å²	29	81.3 Å²	81.3	14%	0.136	46%	0.464	C	S	.	.	H	α-helix	trans	-58.9	-48.3	172.4	-177.2	-172.3	-170.4	0	0	112.2	L77 V121 K127 A128 N129	L77-E125 HydrophobicContact CD2-CB 4.27Å; L77-E125 HydrophobicContact CD2-CG 3.74Å; L77-E125 WeakPolarHBondContact CD2-OE1 3.42Å; L77-E125 WeakPolarHBondContact CD2-OE2 3.32Å; V121-E125 PolarHBondContact O-N 3.22Å; V121-E125 VanDerWaalsContact O-N 3.15Å; E125-K127 PolarHBondContact O-N 2.88Å; E125-K127 VanDerWaalsContact O-N 3.07Å; E125-A128 PolarHBondContact O-N 3.03Å; E125-N129 WeakPolarHBondContact CG-ND2 3.22Å; E125-N129 PolarHBondContact O-N 2.91Å; E125-N129 VanDerWaalsContact O-N 3.08Å; E125-N129 PolarHBondContact OE1-ND2 2.91Å
126	D	59.3	Low	68.4	Low	103 Å²	103	85.3 Å²	85.3	55%	0.551	48%	0.479	S	S	*	.	H	α-helix	trans	-61.6	-21.6	-177.6	-71.8	-41.3	0	0	0	112.9	K53	K53-D126 IonicContact NZ-OD1 3.74Å; K53-D126 PolarHBondContact NZ-OD1 2.81Å; K53-D126 IonicContact NZ-OD2 2.76Å; K53-D126 PolarHBondContact NZ-OD2 3.47Å
127	K	56.1	Low	66.7	Low	177 Å²	177	87.5 Å²	87.5	77%	0.77	50%	0.502	S	S	*	.	H	α-helix	trans	-90.7	-20.2	175.5	-76	-174	170.4	-174.1	0	113.9	F124 E125	F124-K127 PolarHBondContact O-N 3.39Å; E125-K127 PolarHBondContact O-N 2.88Å; E125-K127 VanDerWaalsContact O-N 3.07Å
128	A	53.1	Low	65	Low	66 Å²	66	90.6 Å²	90.6	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-102.7	-20.6	-172.8	0	0	0	0	0	114	F124 E125 S130	F124-A128 PolarHBondContact O-N 3.11Å; E125-A128 PolarHBondContact O-N 3.03Å; A128-S130 PolarHBondContact O-N 2.86Å
129	N	48	Very low	63.6	Low	99 Å²	99	96 Å²	96	53%	0.529	56%	0.559	S	S	.	*			trans	-79	49.4	-177.6	-86.2	-20.8	0	0	0	114.4	E125	E125-N129 WeakPolarHBondContact CG-ND2 3.22Å; E125-N129 PolarHBondContact O-N 2.91Å; E125-N129 VanDerWaalsContact O-N 3.08Å; E125-N129 PolarHBondContact OE1-ND2 2.91Å
130	S	45.4	Very low	62.4	Low	120 Å²	120	100.5 Å²	100.5	84%	0.839	59%	0.59	S	S	*	*			trans	-83.3	9.4	158.1	-15.1	0	0	0	0	112.5	A128	A128-S130 PolarHBondContact O-N 2.86Å
131	S	43	Very low	61.1	Low	76 Å²	76	106.3 Å²	106.3	53%	0.531	61%	0.613	S	S	.	*	S	Bend	trans	-106.5	136.9	178.8	57.1	0	0	0	0	111.9	C133	S131-C133 PolarHBondContact O-N 3.08Å; S131-C133 VanDerWaalsContact O-N 3.16Å
132	P	42	Very low	59.9	Low	129 Å²	129	114.9 Å²	114.9	84%	0.838	64%	0.643	S	S	*	*			trans	-69.6	113.8	-174	27.7	-31.3	0	0	0	110.7
133	C	42.3	Very low	59.3	Low	105 Å²	105	120.1 Å²	120.1	71%	0.709	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-65.4	139.8	167.7	-133	0	0	0	0	108.7	S131	S131-C133 PolarHBondContact O-N 3.08Å; S131-C133 VanDerWaalsContact O-N 3.16Å
134	K	54.4	Low	58.6	Low	184 Å²	184	123.2 Å²	123.2	80%	0.8	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-54.3	147.6	-176.4	-66.1	169.9	-177.1	171.5	0	110.7	D136	K134-D136 PolarHBondContact O-N 3.31Å
135	P	46.7	Very low	58.1	Low	128 Å²	128	122.6 Å²	122.6	83%	0.831	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-61	123.7	-176.3	25.1	-33.9	0	0	0	110.9	G137	P135-G137 PolarHBondContact O-N 3.31Å
136	D	48.5	Very low	57.7	Low	169 Å²	169	124.3 Å²	124.3	90%	0.904	71%	0.708	S	S	*	*			trans	-69.9	114.9	168.6	-80	-52.5	0	0	0	109.2	K134	K134-D136 PolarHBondContact O-N 3.31Å
137	G	60.8	Low	58.3	Low	53 Å²	53	125.1 Å²	125.1	55%	0.546	71%	0.712	S	S	.	*	S	Bend	trans	-168.4	154.5	176.5	0	0	0	0	0	110.7	P135	P135-G137 PolarHBondContact O-N 3.31Å
138	P	58.7	Low	58.7	Low	122 Å²	122	126.1 Å²	126.1	79%	0.792	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-51.7	138.5	170.2	-20.7	30.7	0	0	0	109.2
139	P	63.8	Low	59	Low	114 Å²	114	129.1 Å²	129.1	74%	0.74	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-47.9	134.4	175.2	-25.4	32.4	0	0	0	109.7	K141	P139-K141 PolarHBondContact O-N 3.1Å
140	P	69.2	Low	59.6	Low	119 Å²	119	130.7 Å²	130.7	77%	0.773	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-51	132.8	175	-23.8	31.8	0	0	0	109.3	R142	P140-R142 PolarHBondContact O-N 3.26Å; P140-R142 VanDerWaalsContact O-N 3.1Å
141	K	66.6	Low	60.3	Low	199 Å²	199	131.3 Å²	131.3	87%	0.865	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-59.7	121.3	176	-67.4	-177.1	179.5	178.8	0	107.4	P139 D143	P139-K141 PolarHBondContact O-N 3.1Å; K141-D143 PolarHBondContact O-N 3.21Å
142	R	68.6	Low	61.4	Low	201 Å²	201	134.5 Å²	134.5	76%	0.758	77%	0.766	S	S	*	*			trans	-72.1	109.7	172.8	-63.1	-177.7	70.9	165.9	2.1	107	P140	P140-R142 PolarHBondContact O-N 3.26Å; P140-R142 VanDerWaalsContact O-N 3.1Å
143	D	75.6	Confident	62.6	Low	109 Å²	109	134.9 Å²	134.9	58%	0.583	76%	0.762	S	S	*	*			trans	-76.6	150.1	172	-99.1	-48.8	0	0	0	110.4	K141 T145 S146	K141-D143 PolarHBondContact O-N 3.21Å; D143-T145 PolarHBondContact O-N 2.63Å; D143-S146 WeakPolarHBondContact O-CB 3.48Å; D143-S146 PolarHBondContact O-N 2.92Å; D143-S146 PolarHBondContact O-OG 2.97Å
144	I	72.9	Confident	63.9	Low	149 Å²	149	136.9 Å²	136.9	76%	0.764	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-57.4	-18	-179.8	64.6	167.6	0	0	0	113.3	S146	I144-S146 PolarHBondContact O-N 3.44Å
145	T	70.9	Confident	64.6	Low	124 Å²	124	133.5 Å²	133.5	76%	0.761	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-76.7	-6.6	176.7	55.9	0	0	0	0	113.5	D143	D143-T145 PolarHBondContact O-N 2.63Å
146	S	66.3	Low	66	Low	64 Å²	64	133.9 Å²	133.9	45%	0.448	76%	0.758	S	S	.	*	G	3₁₀ helix	trans	-107.1	16.4	-177.2	64.4	0	0	0	0	114.3	D143 I144	D143-S146 WeakPolarHBondContact O-CB 3.48Å; D143-S146 PolarHBondContact O-N 2.92Å; D143-S146 PolarHBondContact O-OG 2.97Å; I144-S146 PolarHBondContact O-N 3.44Å
147	L	71.6	Confident	67.4	Low	120 Å²	120	131 Å²	131	63%	0.628	75%	0.745	S	S	*	*			trans	-98.3	138.6	170	-74	159.6	0	0	0	109.5
148	P	64.3	Low	68	Low	198 Å²	198	138.1 Å²	138.1	100%	1.286	76%	0.763	S	S	*	*			trans	-67.6	0	175.1	30.5	-34.7	0	0	0	112.6

Retrieved 148 of 148 residues in 37.7 ms (Link to these results)

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