A0A060VYT7_ONCMY Loading...

Charged multivesicular body protein 2A

AlphaFold DB , UniProt , Accession A0A060VYT7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110499137, Length 220 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	43.9	Very low	63.3	Low	207 Å²	207	149.5 Å²	149.5	100%	1.02	73%	0.732	S	S	*	*				0	-12.6	0	-79.8	-179.4	-170.4	0	0	114.2
2	E	46.6	Very low	64.6	Low	164 Å²	164	144.3 Å²	144.3	77%	0.766	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-14	175.4	-83.8	-175.5	132.3	0	0	115.7
3	F	56.4	Low	66.1	Low	207 Å²	207	140.9 Å²	140.9	91%	0.908	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-18	179.6	-169.2	-102.7	0	0	0	113.4
4	L	62.3	Low	67.1	Low	146 Å²	146	137.9 Å²	137.9	76%	0.764	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-19.1	-174.4	-79.5	158.3	0	0	0	113.8
5	F	62.5	Low	68.2	Low	169 Å²	169	130.9 Å²	130.9	74%	0.741	64%	0.639	S	S	*	*	S	Bend	trans	-123	99.2	173.3	-66.1	-82.5	0	0	0	107.3	K7	F5-K7 PolarHBondContact O-N 3.38Å
6	G	62.2	Low	69.3	Low	70 Å²	70	131.3 Å²	131.3	72%	0.722	63%	0.631	S	S	*	*			trans	-45.6	139.8	-175.1	0	0	0	0	0	112.6	R8	G6-R8 PolarHBondContact O-N 3.27Å; G6-R8 VanDerWaalsContact O-N 3.12Å
7	K	64.5	Low	70.5	Confident	180 Å²	180	129.1 Å²	129.1	78%	0.783	62%	0.62	S	S	*	*			trans	-44.7	121.1	-179.2	-67.1	-176.4	177.5	-175.2	0	109.8	F5 K9	F5-K7 PolarHBondContact O-N 3.38Å; K7-K9 PolarHBondContact O-N 2.97Å; K7-K9 VanDerWaalsContact O-N 3.1Å
8	R	67.5	Low	71.3	Confident	242 Å²	242	126.4 Å²	126.4	91%	0.913	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-56.7	119.7	171.3	-71.6	-174	176.5	-174.5	-0.8	107	G6 T10	G6-R8 PolarHBondContact O-N 3.27Å; G6-R8 VanDerWaalsContact O-N 3.12Å; R8-T10 PolarHBondContact O-N 3.32Å
9	K	72.3	Confident	72.2	Confident	107 Å²	107	121.8 Å²	121.8	47%	0.465	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-55.6	135.3	179.9	-73.5	175.5	-178.6	165.9	0	109.1	K7 E13 M14	K7-K9 PolarHBondContact O-N 2.97Å; K7-K9 VanDerWaalsContact O-N 3.1Å; K9-E13 WeakPolarHBondContact CA-OE2 3.37Å; K9-E13 HydrophobicContact CB-CB 4.23Å; K9-M14 HydrophobicContact CB-CG 3.69Å; K9-M14 HydrophobicContact CD-CG 4.45Å
10	T	81.6	Confident	73.2	Confident	67 Å²	67	124.2 Å²	124.2	41%	0.411	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-65.8	154.8	173.9	64.8	0	0	0	0	109.6	R8 E12 E13 M14	R8-T10 PolarHBondContact O-N 3.32Å; T10-E12 PolarHBondContact O-N 3.14Å; T10-E12 VanDerWaalsContact O-N 3.17Å; T10-E13 PolarHBondContact N-OE2 3.22Å; T10-E13 WeakPolarHBondContact O-CB 3.4Å; T10-E13 PolarHBondContact O-N 3.37Å; T10-E13 VanDerWaalsContact OG1-CG 3.25Å; T10-E13 WeakPolarHBondContact OG1-CG 3.43Å; T10-E13 PolarHBondContact OG1-N 2.72Å; T10-M14 PolarHBondContact O-N 3.07Å
11	P	76.8	Confident	74.1	Confident	86 Å²	86	120.9 Å²	120.9	56%	0.558	58%	0.583	S	S	*	*	H	α-helix	trans	-52.5	-36.8	174.7	-28.2	35.6	0	0	0	112.7	M14 L15	P11-M14 PolarHBondContact O-N 3.27Å; P11-L15 VanDerWaalsContact O-CG 3.26Å; P11-L15 WeakPolarHBondContact O-CG 3.42Å; P11-L15 PolarHBondContact O-N 3.21Å
12	E	79.1	Confident	76.4	Confident	86 Å²	86	112.7 Å²	112.7	40%	0.402	54%	0.543	S	S	.	.	H	α-helix	trans	-66.2	-40.4	175.3	-68.8	-171.7	-174.8	0	0	113.4	T10 M14 L15 R16	T10-E12 PolarHBondContact O-N 3.14Å; T10-E12 VanDerWaalsContact O-N 3.17Å; E12-M14 VanDerWaalsContact C-N 3.35Å; E12-L15 PolarHBondContact O-N 3.01Å; E12-R16 WeakPolarHBondContact O-CB 3.38Å; E12-R16 VanDerWaalsContact O-CG 3.32Å; E12-R16 WeakPolarHBondContact O-CG 3.48Å; E12-R16 PolarHBondContact O-N 3.21Å
13	E	83.4	Confident	78.6	Confident	101 Å²	101	107.6 Å²	107.6	47%	0.472	52%	0.521	S	S	.	.	H	α-helix	trans	-65.7	-39.1	175.6	-75.1	169.7	167.7	0	0	111.5	K9 T10 R16 Q17	K9-E13 WeakPolarHBondContact CA-OE2 3.37Å; K9-E13 HydrophobicContact CB-CB 4.23Å; T10-E13 PolarHBondContact N-OE2 3.22Å; T10-E13 WeakPolarHBondContact O-CB 3.4Å; T10-E13 PolarHBondContact O-N 3.37Å; T10-E13 VanDerWaalsContact OG1-CG 3.25Å; T10-E13 WeakPolarHBondContact OG1-CG 3.43Å; T10-E13 PolarHBondContact OG1-N 2.72Å; E13-R16 PolarHBondContact O-N 3.16Å; E13-Q17 WeakPolarHBondContact O-CB 3.24Å; E13-Q17 PolarHBondContact O-N 2.94Å
14	M	81.1	Confident	80.5	Confident	99 Å²	99	105.8 Å²	105.8	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-46.2	174.6	-66.3	-145.1	-65.2	0	0	111.8	K9 T10 P11 E12 R16 Q17 N18	K9-M14 HydrophobicContact CB-CG 3.69Å; K9-M14 HydrophobicContact CD-CG 4.45Å; T10-M14 PolarHBondContact O-N 3.07Å; P11-M14 PolarHBondContact O-N 3.27Å; E12-M14 VanDerWaalsContact C-N 3.35Å; M14-R16 VanDerWaalsContact C-N 3.34Å; M14-R16 PolarHBondContact O-N 3.48Å; M14-Q17 PolarHBondContact O-N 3.34Å; M14-N18 WeakPolarHBondContact O-CB 3.25Å; M14-N18 VanDerWaalsContact O-CG 3.25Å; M14-N18 PolarHBondContact O-N 2.89Å
15	L	83.6	Confident	81.9	Confident	33 Å²	33	100.5 Å²	100.5	17%	0.173	49%	0.486	C	S	.	.	H	α-helix	trans	-59.6	-43.8	175.9	-70.2	170.2	0	0	0	111.5	P11 E12 N18 Q19 I90 K94	P11-L15 VanDerWaalsContact O-CG 3.26Å; P11-L15 WeakPolarHBondContact O-CG 3.42Å; P11-L15 PolarHBondContact O-N 3.21Å; E12-L15 PolarHBondContact O-N 3.01Å; L15-N18 PolarHBondContact O-N 3.26Å; L15-Q19 WeakPolarHBondContact O-CB 3.44Å; L15-Q19 PolarHBondContact O-N 2.87Å; L15-I90 HydrophobicContact CD2-CG2 3.97Å; L15-K94 HydrophobicContact CD1-CB 4.38Å
16	R	85.8	Confident	83.4	Confident	137 Å²	137	93.7 Å²	93.7	52%	0.517	46%	0.456	S	S	.	.	H	α-helix	trans	-64.4	-39.6	176	-74.8	178.3	-176	-160.3	1.1	112.5	E12 E13 M14 R20	E12-R16 WeakPolarHBondContact O-CB 3.38Å; E12-R16 VanDerWaalsContact O-CG 3.32Å; E12-R16 WeakPolarHBondContact O-CG 3.48Å; E12-R16 PolarHBondContact O-N 3.21Å; E13-R16 PolarHBondContact O-N 3.16Å; M14-R16 VanDerWaalsContact C-N 3.34Å; M14-R16 PolarHBondContact O-N 3.48Å; R16-R20 WeakPolarHBondContact O-CG 3.42Å; R16-R20 PolarHBondContact O-N 2.82Å
17	Q	88.3	Confident	85	Confident	94 Å²	94	97.7 Å²	97.7	44%	0.439	45%	0.45	S	S	.	.	H	α-helix	trans	-66	-45.8	177.3	-174.6	-177.3	-0.2	0	0	111.1	E13 M14 Q19 R20 A21	E13-Q17 WeakPolarHBondContact O-CB 3.24Å; E13-Q17 PolarHBondContact O-N 2.94Å; M14-Q17 PolarHBondContact O-N 3.34Å; Q17-Q19 PolarHBondContact O-N 3.05Å; Q17-R20 WeakPolarHBondContact O-CB 3.47Å; Q17-R20 PolarHBondContact O-N 3.41Å; Q17-R20 VanDerWaalsContact O-N 3.17Å; Q17-A21 PolarHBondContact O-N 3.11Å
18	N	86.5	Confident	86.5	Confident	80 Å²	80	93.2 Å²	93.2	43%	0.428	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-44.1	177.9	-69.3	-10.4	0	0	0	110.9	M14 L15 R20 A21 L22 I90	M14-N18 WeakPolarHBondContact O-CB 3.25Å; M14-N18 VanDerWaalsContact O-CG 3.25Å; M14-N18 PolarHBondContact O-N 2.89Å; L15-N18 PolarHBondContact O-N 3.26Å; N18-R20 VanDerWaalsContact C-N 3.28Å; N18-R20 PolarHBondContact O-N 3.27Å; N18-A21 WeakPolarHBondContact O-CB 3.49Å; N18-A21 PolarHBondContact O-N 3.08Å; N18-A21 VanDerWaalsContact O-N 3.08Å; N18-L22 WeakPolarHBondContact O-CG 3.33Å; N18-L22 PolarHBondContact O-N 3.35Å; N18-I90 HydrophobicContact CB-CD1 4.18Å
19	Q	88.4	Confident	87.7	Confident	39 Å²	39	82.8 Å²	82.8	18%	0.182	40%	0.397	C	S	.	.	H	α-helix	trans	-56.1	-42.5	174.4	-162	72.2	20.5	0	0	112.3	L15 Q17 N23 S87	L15-Q19 WeakPolarHBondContact O-CB 3.44Å; L15-Q19 PolarHBondContact O-N 2.87Å; Q17-Q19 PolarHBondContact O-N 3.05Å; Q19-N23 WeakPolarHBondContact O-CB 3.49Å; Q19-N23 VanDerWaalsContact O-CG 3.26Å; Q19-N23 PolarHBondContact O-N 3.37Å; Q19-N23 PolarHBondContact O-ND2 3.17Å; Q19-N23 VanDerWaalsContact O-ND2 3.16Å; Q19-S87 PolarHBondContact NE2-O 3.34Å; Q19-S87 PolarHBondContact NE2-OG 3.03Å; Q19-S87 PolarHBondContact OE1-O 2.78Å
20	R	92.1	Very high	88.8	Confident	170 Å²	170	79.3 Å²	79.3	64%	0.642	38%	0.383	S	S	*	.	H	α-helix	trans	-67.3	-38.8	177.4	-71.8	175.1	-175.7	-174.5	1.2	111.9	R16 Q17 N18 R24	R16-R20 WeakPolarHBondContact O-CG 3.42Å; R16-R20 PolarHBondContact O-N 2.82Å; Q17-R20 WeakPolarHBondContact O-CB 3.47Å; Q17-R20 PolarHBondContact O-N 3.41Å; Q17-R20 VanDerWaalsContact O-N 3.17Å; N18-R20 VanDerWaalsContact C-N 3.28Å; N18-R20 PolarHBondContact O-N 3.27Å; R20-R24 WeakPolarHBondContact O-CG 3.26Å; R20-R24 PolarHBondContact O-N 3.03Å
21	A	91.8	Very high	89.6	Confident	54 Å²	54	83 Å²	83	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-47.1	176.7	0	0	0	0	0	111.1	Q17 N18 N23 R24 A25	Q17-A21 PolarHBondContact O-N 3.11Å; N18-A21 WeakPolarHBondContact O-CB 3.49Å; N18-A21 PolarHBondContact O-N 3.08Å; N18-A21 VanDerWaalsContact O-N 3.08Å; A21-N23 PolarHBondContact O-N 3.36Å; A21-R24 WeakPolarHBondContact O-CB 3.35Å; A21-R24 PolarHBondContact O-N 2.86Å; A21-R24 VanDerWaalsContact O-N 3.15Å; A21-A25 PolarHBondContact O-N 2.89Å
22	L	91.7	Very high	90.4	Very high	35 Å²	35	82.2 Å²	82.2	18%	0.183	38%	0.379	C	S	.	.	H	α-helix	trans	-60.9	-43.4	176	-64.2	177.7	0	0	0	111.8	N18 R24 A25 M26 I83 V86 I90	N18-L22 WeakPolarHBondContact O-CG 3.33Å; N18-L22 PolarHBondContact O-N 3.35Å; L22-R24 VanDerWaalsContact C-N 3.29Å; L22-R24 PolarHBondContact O-N 3.42Å; L22-A25 PolarHBondContact O-N 3.27Å; L22-M26 WeakPolarHBondContact O-CG 3.47Å; L22-M26 PolarHBondContact O-N 3.38Å; L22-I83 HydrophobicContact CB-CG2 4.08Å; L22-I83 HydrophobicContact CD2-CG2 4.08Å; L22-V86 HydrophobicContact CD1-CG1 4.02Å; L22-I90 HydrophobicContact CD1-CD1 3.52Å
23	N	93	Very high	91.2	Very high	58 Å²	58	80.3 Å²	80.3	31%	0.31	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-33.3	175.7	-77.7	-32.3	0	0	0	113.5	Q19 A21 M26 R27	Q19-N23 WeakPolarHBondContact O-CB 3.49Å; Q19-N23 VanDerWaalsContact O-CG 3.26Å; Q19-N23 PolarHBondContact O-N 3.37Å; Q19-N23 PolarHBondContact O-ND2 3.17Å; Q19-N23 VanDerWaalsContact O-ND2 3.16Å; A21-N23 PolarHBondContact O-N 3.36Å; N23-M26 HydrophobicContact CB-CE 4.4Å; N23-M26 WeakPolarHBondContact OD1-CE 3.43Å; N23-R27 WeakPolarHBondContact O-CG 3.46Å; N23-R27 PolarHBondContact O-N 3.41Å
24	R	95.6	Very high	91.9	Very high	169 Å²	169	80.1 Å²	80.1	64%	0.638	37%	0.367	S	S	*	.	H	α-helix	trans	-69.9	-48.8	173	-73.5	176	-170.8	179.5	0.7	110.5	R20 A21 L22 M26 R27 D28	R20-R24 WeakPolarHBondContact O-CG 3.26Å; R20-R24 PolarHBondContact O-N 3.03Å; A21-R24 WeakPolarHBondContact O-CB 3.35Å; A21-R24 PolarHBondContact O-N 2.86Å; A21-R24 VanDerWaalsContact O-N 3.15Å; L22-R24 VanDerWaalsContact C-N 3.29Å; L22-R24 PolarHBondContact O-N 3.42Å; R24-M26 VanDerWaalsContact C-N 3.31Å; R24-M26 PolarHBondContact O-N 3.08Å; R24-R27 WeakPolarHBondContact O-CB 3.45Å; R24-R27 PolarHBondContact O-N 3.24Å; R24-D28 PolarHBondContact O-N 3.4Å
25	A	93.3	Very high	92.6	Very high	35 Å²	35	82.6 Å²	82.6	29%	0.289	37%	0.371	S	S	.	.	H	α-helix	trans	-54.2	-46.6	177.1	0	0	0	0	0	111.5	A21 L22 R27 D28 L29 I83	A21-A25 PolarHBondContact O-N 2.89Å; L22-A25 PolarHBondContact O-N 3.27Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 2.9Å; A25-D28 PolarHBondContact O-N 2.81Å; A25-D28 VanDerWaalsContact O-N 3.16Å; A25-L29 VanDerWaalsContact O-CG 3.31Å; A25-L29 WeakPolarHBondContact O-CG 3.43Å; A25-L29 PolarHBondContact O-N 3.26Å; A25-I83 HydrophobicContact CB-CD1 4.06Å
26	M	93.5	Very high	93.2	Very high	25 Å²	25	81.9 Å²	81.9	12%	0.123	37%	0.367	C	S	.	.	H	α-helix	trans	-55.6	-42.5	175.6	-72	-169.8	-72.2	0	0	113	L22 N23 R24 D30 I83 Q84	L22-M26 WeakPolarHBondContact O-CG 3.47Å; L22-M26 PolarHBondContact O-N 3.38Å; N23-M26 HydrophobicContact CB-CE 4.4Å; N23-M26 WeakPolarHBondContact OD1-CE 3.43Å; R24-M26 VanDerWaalsContact C-N 3.31Å; R24-M26 PolarHBondContact O-N 3.08Å; M26-D30 PolarHBondContact O-N 3.45Å; M26-I83 HydrophobicContact CG-CB 4.11Å; M26-I83 HydrophobicContact CG-CG2 3.43Å; M26-I83 VanDerWaalsContact CG-CG2 3.43Å; M26-I83 HydrophobicContact SD-CG2 4.18Å; M26-Q84 HydrophobicContact SD-CB 4Å
27	R	96	Very high	93.6	Very high	155 Å²	155	78.3 Å²	78.3	59%	0.585	36%	0.356	S	S	*	.	H	α-helix	trans	-70.2	-37.3	178.8	-67.6	174.1	-165.6	168.1	1.8	112.5	N23 R24 A25 D30 R31	N23-R27 WeakPolarHBondContact O-CG 3.46Å; N23-R27 PolarHBondContact O-N 3.41Å; R24-R27 WeakPolarHBondContact O-CB 3.45Å; R24-R27 PolarHBondContact O-N 3.24Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 2.9Å; R27-D30 PolarHBondContact O-N 3.19Å; R27-R31 VanDerWaalsContact O-CG 3.27Å; R27-R31 WeakPolarHBondContact O-CG 3.42Å; R27-R31 PolarHBondContact O-N 3.37Å
28	D	95.3	Very high	94	Very high	85 Å²	85	79.3 Å²	79.3	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-69.3	-38.6	178.1	-66	-29.2	0	0	0	110.4	R24 A25 R31 E32	R24-D28 PolarHBondContact O-N 3.4Å; A25-D28 PolarHBondContact O-N 2.81Å; A25-D28 VanDerWaalsContact O-N 3.16Å; D28-R31 PolarHBondContact O-N 2.73Å; D28-R31 IonicContact OD1-NH1 3.98Å; D28-R31 PolarHBondContact OD1-NH1 3.19Å; D28-E32 PolarHBondContact O-N 3.1Å
29	L	93.3	Very high	94.4	Very high	24 Å²	24	79.7 Å²	79.7	13%	0.126	36%	0.36	C	S	.	.	H	α-helix	trans	-61.2	-44.1	170.1	-67	-172.8	0	0	0	112.4	A25 R31 E32 R33 F76 M79 R80 I83	A25-L29 VanDerWaalsContact O-CG 3.31Å; A25-L29 WeakPolarHBondContact O-CG 3.43Å; A25-L29 PolarHBondContact O-N 3.26Å; L29-R31 VanDerWaalsContact C-N 3.32Å; L29-R31 PolarHBondContact O-N 2.8Å; L29-E32 PolarHBondContact O-N 3.2Å; L29-R33 WeakPolarHBondContact O-CB 3.37Å; L29-R33 PolarHBondContact O-N 2.83Å; L29-F76 HydrophobicContact CB-CD1 4.22Å; L29-F76 HydrophobicContact CD2-CD1 3.69Å; L29-F76 HydrophobicContact CD2-CE1 3.58Å; L29-F76 HydrophobicContact CG-CD1 4.49Å; L29-M79 HydrophobicContact CD1-CB 4.25Å; L29-M79 HydrophobicContact CD1-CE 4.01Å; L29-M79 HydrophobicContact CD1-CG 3.79Å; L29-M79 HydrophobicContact CD1-SD 4.38Å; L29-M79 HydrophobicContact CD2-CE 3.28Å; L29-M79 HydrophobicContact CD2-SD 4.32Å; L29-M79 HydrophobicContact CG-CE 4.28Å; L29-R80 HydrophobicContact CD1-CB 4.38Å; L29-I83 HydrophobicContact CD1-CD1 3.55Å
30	D	95.2	Very high	94.6	Very high	34 Å²	34	79.5 Å²	79.5	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-39.9	176.9	-83.5	-34.3	0	0	0	112.4	M26 R27 R33 Q34 R80	M26-D30 PolarHBondContact O-N 3.45Å; R27-D30 PolarHBondContact O-N 3.19Å; D30-R33 IonicContact OD1-CZ 3.34Å; D30-R33 IonicContact OD1-NH1 2.86Å; D30-R33 PolarHBondContact OD1-NH1 3.45Å; D30-Q34 VanDerWaalsContact O-CG 3.32Å; D30-Q34 WeakPolarHBondContact O-CG 3.23Å; D30-Q34 PolarHBondContact O-N 3.35Å; D30-R80 WeakPolarHBondContact OD1-CD 3.47Å; D30-R80 IonicContact OD1-CZ 3.76Å; D30-R80 IonicContact OD1-NE 2.78Å; D30-R80 IonicContact OD1-NH1 2.89Å; D30-R80 PolarHBondContact OD1-NH1 2.95Å; D30-R80 IonicContact OD2-CZ 3.61Å; D30-R80 IonicContact OD2-NE 3.84Å; D30-R80 IonicContact OD2-NH1 3.95Å; D30-R80 PolarHBondContact OD2-NH1 3.17Å
31	R	96.9	Very high	94.7	Very high	144 Å²	144	78.6 Å²	78.6	54%	0.543	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-43	176.2	-73.8	166.7	176.7	-178.9	-6	111.7	R27 D28 L29 Q34 R35	R27-R31 VanDerWaalsContact O-CG 3.27Å; R27-R31 WeakPolarHBondContact O-CG 3.42Å; R27-R31 PolarHBondContact O-N 3.37Å; D28-R31 PolarHBondContact O-N 2.73Å; D28-R31 IonicContact OD1-NH1 3.98Å; D28-R31 PolarHBondContact OD1-NH1 3.19Å; L29-R31 VanDerWaalsContact C-N 3.32Å; L29-R31 PolarHBondContact O-N 2.8Å; R31-Q34 PolarHBondContact O-N 2.89Å; R31-R35 WeakPolarHBondContact O-CG 3.29Å; R31-R35 PolarHBondContact O-N 2.89Å; R31-R35 VanDerWaalsContact O-N 3.08Å
32	E	95.3	Very high	94.9	Very high	70 Å²	70	82.7 Å²	82.7	33%	0.327	37%	0.367	S	S	.	.	H	α-helix	trans	-67.6	-41.6	179.2	-161.2	60.8	-161.3	0	0	111.3	D28 L29 Q34 R35 L36 F76	D28-E32 PolarHBondContact O-N 3.1Å; L29-E32 PolarHBondContact O-N 3.2Å; E32-Q34 VanDerWaalsContact C-N 3.33Å; E32-Q34 PolarHBondContact O-N 3.21Å; E32-R35 WeakPolarHBondContact O-CB 3.42Å; E32-R35 PolarHBondContact O-N 3.39Å; E32-R35 VanDerWaalsContact O-N 3.1Å; E32-R35 WeakPolarHBondContact OE2-CD 3.48Å; E32-R35 IonicContact OE2-CZ 2.8Å; E32-R35 IonicContact OE2-NE 3.84Å; E32-R35 IonicContact OE2-NH1 3.79Å; E32-R35 PolarHBondContact OE2-NH1 3.43Å; E32-L36 PolarHBondContact O-N 3.35Å; E32-F76 HydrophobicContact CB-CD1 4.36Å; E32-F76 HydrophobicContact CB-CE1 3.74Å; E32-F76 HydrophobicContact CB-CZ 4.06Å; E32-F76 HydrophobicContact CG-CE1 3.81Å; E32-F76 HydrophobicContact CG-CE2 4.31Å; E32-F76 HydrophobicContact CG-CZ 3.58Å
33	R	96	Very high	95	Very high	46 Å²	46	81.7 Å²	81.7	17%	0.174	36%	0.362	C	S	.	.	H	α-helix	trans	-54.9	-48	171.4	-167.4	-167.1	77.5	-132.9	-1.7	111.6	L29 D30 R35 L36 E37 V73 F76	L29-R33 WeakPolarHBondContact O-CB 3.37Å; L29-R33 PolarHBondContact O-N 2.83Å; D30-R33 IonicContact OD1-CZ 3.34Å; D30-R33 IonicContact OD1-NH1 2.86Å; D30-R33 PolarHBondContact OD1-NH1 3.45Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 3.08Å; R33-L36 PolarHBondContact O-N 3.18Å; R33-E37 WeakPolarHBondContact CD-OE1 3.45Å; R33-E37 IonicContact CZ-OE1 2.7Å; R33-E37 IonicContact NE-OE1 3.99Å; R33-E37 PolarHBondContact NE-OE1 2.91Å; R33-E37 IonicContact NH2-OE1 3.54Å; R33-E37 WeakPolarHBondContact O-CG 3.48Å; R33-E37 PolarHBondContact O-N 3.21Å; R33-V73 HydrophobicContact CG-CG1 4.02Å; R33-F76 HydrophobicContact CB-CB 4.24Å; R33-F76 HydrophobicContact CG-CB 4.34Å
34	Q	97.1	Very high	94.9	Very high	97 Å²	97	80.5 Å²	80.5	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-62.3	-33.6	178.3	-76.2	176.6	-5.3	0	0	113.1	D30 R31 E32 Q38	D30-Q34 VanDerWaalsContact O-CG 3.32Å; D30-Q34 WeakPolarHBondContact O-CG 3.23Å; D30-Q34 PolarHBondContact O-N 3.35Å; R31-Q34 PolarHBondContact O-N 2.89Å; E32-Q34 VanDerWaalsContact C-N 3.33Å; E32-Q34 PolarHBondContact O-N 3.21Å; Q34-Q38 VanDerWaalsContact O-CG 3.29Å; Q34-Q38 WeakPolarHBondContact O-CG 3.41Å; Q34-Q38 PolarHBondContact O-N 2.78Å; Q34-Q38 VanDerWaalsContact O-N 3.11Å
35	R	96.4	Very high	94.8	Very high	150 Å²	150	75.2 Å²	75.2	57%	0.566	35%	0.348	S	S	*	.	H	α-helix	trans	-67.4	-44.2	174.1	-71.1	171.4	-176.9	164.1	-3.9	111.1	R31 E32 R33 Q38 Q39	R31-R35 WeakPolarHBondContact O-CG 3.29Å; R31-R35 PolarHBondContact O-N 2.89Å; R31-R35 VanDerWaalsContact O-N 3.08Å; E32-R35 WeakPolarHBondContact O-CB 3.42Å; E32-R35 PolarHBondContact O-N 3.39Å; E32-R35 VanDerWaalsContact O-N 3.1Å; E32-R35 WeakPolarHBondContact OE2-CD 3.48Å; E32-R35 IonicContact OE2-CZ 2.8Å; E32-R35 IonicContact OE2-NE 3.84Å; E32-R35 IonicContact OE2-NH1 3.79Å; E32-R35 PolarHBondContact OE2-NH1 3.43Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 3.08Å; R35-Q38 WeakPolarHBondContact O-CB 3.3Å; R35-Q38 PolarHBondContact O-N 3.1Å; R35-Q39 PolarHBondContact O-N 3.35Å
36	L	95.1	Very high	94.8	Very high	19 Å²	19	77.2 Å²	77.2	10%	0.099	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-42.1	176.2	-68.9	173.1	0	0	0	111.7	E32 R33 Q38 Q39 E40 T69 V73 F76	E32-L36 PolarHBondContact O-N 3.35Å; R33-L36 PolarHBondContact O-N 3.18Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 2.98Å; L36-Q39 CarbonylContact O-C 3.54Å; L36-Q39 WeakPolarHBondContact O-CB 3.35Å; L36-Q39 PolarHBondContact O-N 3.04Å; L36-Q39 VanDerWaalsContact O-N 3.12Å; L36-E40 WeakPolarHBondContact O-CB 3.29Å; L36-E40 PolarHBondContact O-N 3.34Å; L36-T69 HydrophobicContact CB-CG2 4.4Å; L36-T69 HydrophobicContact CD2-CG2 4.46Å; L36-V73 HydrophobicContact CB-CG2 3.71Å; L36-F76 HydrophobicContact CD1-CD2 3.61Å; L36-F76 HydrophobicContact CD1-CE2 3.57Å
37	E	95.1	Very high	94.6	Very high	61 Å²	61	76 Å²	76	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-35.1	173.8	-72.3	169.9	-167.9	0	0	112.3	R33 K41 V73	R33-E37 WeakPolarHBondContact CD-OE1 3.45Å; R33-E37 IonicContact CZ-OE1 2.7Å; R33-E37 IonicContact NE-OE1 3.99Å; R33-E37 PolarHBondContact NE-OE1 2.91Å; R33-E37 IonicContact NH2-OE1 3.54Å; R33-E37 WeakPolarHBondContact O-CG 3.48Å; R33-E37 PolarHBondContact O-N 3.21Å; E37-K41 WeakPolarHBondContact O-CG 3.23Å; E37-K41 PolarHBondContact O-N 3.41Å; E37-V73 HydrophobicContact CG-CG1 4.3Å; E37-V73 HydrophobicContact CG-CG2 4.34Å
38	Q	96.6	Very high	94.3	Very high	115 Å²	115	72.9 Å²	72.9	54%	0.537	34%	0.339	S	S	.	.	H	α-helix	trans	-71.9	-38.5	173.7	-72.4	171.8	33.8	0	0	112.1	Q34 R35 L36 K41 K42	Q34-Q38 VanDerWaalsContact O-CG 3.29Å; Q34-Q38 WeakPolarHBondContact O-CG 3.41Å; Q34-Q38 PolarHBondContact O-N 2.78Å; Q34-Q38 VanDerWaalsContact O-N 3.11Å; R35-Q38 WeakPolarHBondContact O-CB 3.3Å; R35-Q38 PolarHBondContact O-N 3.1Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 2.98Å; Q38-K41 PolarHBondContact O-N 3.33Å; Q38-K42 WeakPolarHBondContact O-CG 3.49Å; Q38-K42 PolarHBondContact O-N 3.11Å
39	Q	94.6	Very high	94.2	Very high	89 Å²	89	74.6 Å²	74.6	42%	0.416	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-41.8	175.1	-177.1	174.2	-10.7	0	0	111	R35 L36 K41 K42 I43	R35-Q39 PolarHBondContact O-N 3.35Å; L36-Q39 CarbonylContact O-C 3.54Å; L36-Q39 WeakPolarHBondContact O-CB 3.35Å; L36-Q39 PolarHBondContact O-N 3.04Å; L36-Q39 VanDerWaalsContact O-N 3.12Å; Q39-K41 VanDerWaalsContact C-N 3.31Å; Q39-K41 PolarHBondContact O-N 3.36Å; Q39-K42 WeakPolarHBondContact O-CB 3.29Å; Q39-K42 PolarHBondContact O-N 3.12Å; Q39-I43 HydrophobicContact CG-CD1 3.87Å; Q39-I43 HydrophobicContact CG-CG1 4.31Å; Q39-I43 WeakPolarHBondContact O-CG1 3.5Å; Q39-I43 PolarHBondContact O-N 3.29Å
40	E	92.9	Very high	94	Very high	35 Å²	35	75 Å²	75	16%	0.164	34%	0.344	C	S	.	.	H	α-helix	trans	-53	-49.1	173.9	-169.5	-168.9	172.5	0	0	110.9	L36 K42 I43 I44 L66 T69 R70	L36-E40 WeakPolarHBondContact O-CB 3.29Å; L36-E40 PolarHBondContact O-N 3.34Å; E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 PolarHBondContact O-N 2.91Å; E40-I43 PolarHBondContact O-N 3.41Å; E40-I44 HydrophobicContact CG-CD1 4.16Å; E40-I44 VanDerWaalsContact O-CG1 3.3Å; E40-I44 WeakPolarHBondContact O-CG1 3.14Å; E40-I44 PolarHBondContact O-N 2.65Å; E40-L66 HydrophobicContact CB-CD1 4.4Å; E40-L66 HydrophobicContact CG-CD1 3.42Å; E40-L66 VanDerWaalsContact CG-CD1 3.42Å; E40-T69 HydrophobicContact CB-CG2 4.08Å; E40-R70 HydrophobicContact CG-CG 4.39Å; E40-R70 VanDerWaalsContact OE1-CG 3.29Å; E40-R70 WeakPolarHBondContact OE1-CG 3.48Å; E40-R70 IonicContact OE1-CZ 2.73Å; E40-R70 IonicContact OE1-NE 2.77Å; E40-R70 PolarHBondContact OE1-NE 3.13Å; E40-R70 IonicContact OE1-NH2 2.97Å
41	K	94.6	Very high	93.7	Very high	150 Å²	150	74.1 Å²	74.1	65%	0.652	34%	0.341	S	S	*	.	H	α-helix	trans	-60.5	-36.8	177.3	-70.3	174.2	-174.2	179.4	0	113.1	E37 Q38 Q39 A45	E37-K41 WeakPolarHBondContact O-CG 3.23Å; E37-K41 PolarHBondContact O-N 3.41Å; Q38-K41 PolarHBondContact O-N 3.33Å; Q39-K41 VanDerWaalsContact C-N 3.31Å; Q39-K41 PolarHBondContact O-N 3.36Å; K41-A45 PolarHBondContact O-N 3.42Å; K41-A45 VanDerWaalsContact O-N 3.17Å
42	K	95.6	Very high	93.2	Very high	140 Å²	140	75.5 Å²	75.5	61%	0.609	35%	0.351	S	S	*	.	H	α-helix	trans	-69.3	-47.3	176.4	-69.7	176.6	-177.5	178.6	0	111.2	Q38 Q39 E40 I44 A45 D46	Q38-K42 WeakPolarHBondContact O-CG 3.49Å; Q38-K42 PolarHBondContact O-N 3.11Å; Q39-K42 WeakPolarHBondContact O-CB 3.29Å; Q39-K42 PolarHBondContact O-N 3.12Å; E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 PolarHBondContact O-N 2.91Å; K42-I44 VanDerWaalsContact C-N 3.28Å; K42-I44 PolarHBondContact O-N 3.22Å; K42-A45 WeakPolarHBondContact O-CB 3.43Å; K42-A45 PolarHBondContact O-N 3.44Å; K42-D46 PolarHBondContact O-N 3.39Å
43	I	92.9	Very high	93	Very high	14 Å²	14	77 Å²	77	7%	0.072	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-43.6	176.8	-66.2	167.6	0	0	0	110.1	Q39 E40 A45 D46 I47 D65 L66	Q39-I43 HydrophobicContact CG-CD1 3.87Å; Q39-I43 HydrophobicContact CG-CG1 4.31Å; Q39-I43 WeakPolarHBondContact O-CG1 3.5Å; Q39-I43 PolarHBondContact O-N 3.29Å; E40-I43 PolarHBondContact O-N 3.41Å; I43-A45 VanDerWaalsContact C-N 3.34Å; I43-A45 PolarHBondContact O-N 2.84Å; I43-D46 PolarHBondContact O-N 3.33Å; I43-I47 HydrophobicContact CG2-CD1 3.68Å; I43-I47 HydrophobicContact CG2-CG1 4.2Å; I43-I47 WeakPolarHBondContact O-CB 3.38Å; I43-I47 VanDerWaalsContact O-CG1 3.23Å; I43-I47 WeakPolarHBondContact O-CG1 3.43Å; I43-I47 PolarHBondContact O-N 3.21Å; I43-D65 WeakPolarHBondContact CD1-OD2 3.38Å; I43-L66 HydrophobicContact CB-CD1 4.23Å; I43-L66 HydrophobicContact CG2-CB 3.85Å; I43-L66 HydrophobicContact CG2-CD1 4.02Å; I43-L66 HydrophobicContact CG2-CG 4.49Å
44	I	92.1	Very high	92.5	Very high	33 Å²	33	77.5 Å²	77.5	17%	0.169	38%	0.377	C	S	.	.	H	α-helix	trans	-58.9	-44.5	175	-70.6	167	0	0	0	111.8	E40 K42 K48 L66 L171	E40-I44 HydrophobicContact CG-CD1 4.16Å; E40-I44 VanDerWaalsContact O-CG1 3.3Å; E40-I44 WeakPolarHBondContact O-CG1 3.14Å; E40-I44 PolarHBondContact O-N 2.65Å; K42-I44 VanDerWaalsContact C-N 3.28Å; K42-I44 PolarHBondContact O-N 3.22Å; I44-K48 HydrophobicContact CG2-CD 4.42Å; I44-K48 WeakPolarHBondContact O-CG 3.38Å; I44-K48 PolarHBondContact O-N 3.26Å; I44-K48 VanDerWaalsContact O-N 3.08Å; I44-L66 HydrophobicContact CD1-CD1 4.19Å; I44-L66 HydrophobicContact CG1-CD1 3.7Å; I44-L66 HydrophobicContact CG1-CD2 3.82Å; I44-L66 HydrophobicContact CG1-CG 4.46Å; I44-L171 HydrophobicContact CG1-CD2 4.4Å; I44-L171 HydrophobicContact CG2-CD2 3.6Å
45	A	93.6	Very high	92.1	Very high	58 Å²	58	77.2 Å²	77.2	48%	0.479	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-40.6	178.6	0	0	0	0	0	111.9	K41 K42 I43 K48 K49	K41-A45 PolarHBondContact O-N 3.42Å; K41-A45 VanDerWaalsContact O-N 3.17Å; K42-A45 WeakPolarHBondContact O-CB 3.43Å; K42-A45 PolarHBondContact O-N 3.44Å; I43-A45 VanDerWaalsContact C-N 3.34Å; I43-A45 PolarHBondContact O-N 2.84Å; A45-K48 PolarHBondContact O-N 3.49Å; A45-K49 PolarHBondContact O-N 2.96Å
46	D	92.4	Very high	91.6	Very high	77 Å²	77	75 Å²	75	41%	0.412	37%	0.373	S	S	.	.	H	α-helix	trans	-68.3	-43.5	177.8	-69.8	-28.4	0	0	0	111.4	K42 I43 K48 K49 M50 M62	K42-D46 PolarHBondContact O-N 3.39Å; I43-D46 PolarHBondContact O-N 3.33Å; D46-K48 VanDerWaalsContact C-N 3.31Å; D46-K48 PolarHBondContact O-N 3.06Å; D46-K49 WeakPolarHBondContact O-CB 3.33Å; D46-K49 PolarHBondContact O-N 2.77Å; D46-K49 VanDerWaalsContact O-N 3.08Å; D46-M50 VanDerWaalsContact O-CG 3.24Å; D46-M50 WeakPolarHBondContact O-CG 3.48Å; D46-M50 PolarHBondContact O-N 2.9Å; D46-M62 HydrophobicContact CB-CE 4.41Å; D46-M62 HydrophobicContact CB-SD 3.97Å
47	I	90.4	Very high	91.2	Very high	0 Å²	0	80.8 Å²	80.8	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-53.7	-49.3	172.5	-73	167.3	0	0	0	110.3	I43 K49 M50 A51 V59 M62 L66 L168 L171 L173	I43-I47 HydrophobicContact CG2-CD1 3.68Å; I43-I47 HydrophobicContact CG2-CG1 4.2Å; I43-I47 WeakPolarHBondContact O-CB 3.38Å; I43-I47 VanDerWaalsContact O-CG1 3.23Å; I43-I47 WeakPolarHBondContact O-CG1 3.43Å; I43-I47 PolarHBondContact O-N 3.21Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 2.91Å; I47-M50 PolarHBondContact O-N 2.9Å; I47-A51 VanDerWaalsContact O-CB 3.25Å; I47-A51 WeakPolarHBondContact O-CB 3.27Å; I47-A51 PolarHBondContact O-N 2.95Å; I47-V59 HydrophobicContact CG2-CG1 4.19Å; I47-M62 HydrophobicContact CD1-CB 4.12Å; I47-M62 HydrophobicContact CG1-CB 3.49Å; I47-M62 VanDerWaalsContact CG1-CB 3.49Å; I47-M62 HydrophobicContact CG1-SD 4.42Å; I47-L66 HydrophobicContact CD1-CB 4.06Å; I47-L66 HydrophobicContact CD1-CD2 3.99Å; I47-L168 HydrophobicContact CG2-CD2 4.29Å; I47-L171 HydrophobicContact CG2-CD1 3.77Å; I47-L173 HydrophobicContact CG2-CD1 3.74Å
48	K	89.6	Confident	90.9	Very high	90 Å²	90	79 Å²	79	39%	0.391	40%	0.4	S	S	.	.	H	α-helix	trans	-61.4	-38.3	178.3	-72.7	-179.8	-177.8	-169.3	0	112.5	I44 A45 D46 K52 L173	I44-K48 HydrophobicContact CG2-CD 4.42Å; I44-K48 WeakPolarHBondContact O-CG 3.38Å; I44-K48 PolarHBondContact O-N 3.26Å; I44-K48 VanDerWaalsContact O-N 3.08Å; A45-K48 PolarHBondContact O-N 3.49Å; D46-K48 VanDerWaalsContact C-N 3.31Å; D46-K48 PolarHBondContact O-N 3.06Å; K48-K52 WeakPolarHBondContact O-CG 3.39Å; K48-K52 PolarHBondContact O-N 3.35Å; K48-L173 HydrophobicContact CG-CD2 4.44Å
49	K	92.5	Very high	90.6	Very high	120 Å²	120	73.7 Å²	73.7	52%	0.522	38%	0.375	S	S	.	.	H	α-helix	trans	-68.4	-46.2	178.4	-176.4	-175.2	175.2	-170.9	0	111.5	A45 D46 I47 A51 K52 Q53	A45-K49 PolarHBondContact O-N 2.96Å; D46-K49 WeakPolarHBondContact O-CB 3.33Å; D46-K49 PolarHBondContact O-N 2.77Å; D46-K49 VanDerWaalsContact O-N 3.08Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 2.91Å; K49-A51 VanDerWaalsContact C-N 3.32Å; K49-K52 PolarHBondContact O-N 3.35Å; K49-Q53 WeakPolarHBondContact O-CG 3.37Å; K49-Q53 PolarHBondContact O-N 3.18Å
50	M	89.6	Confident	90.2	Very high	34 Å²	34	74 Å²	74	17%	0.167	38%	0.375	C	S	.	.	H	α-helix	trans	-67.7	-35.3	-179.8	-62.9	-64.7	-83.7	0	0	111.4	D46 I47 Q53 G54 Q55 A58 V59 M62	D46-M50 VanDerWaalsContact O-CG 3.24Å; D46-M50 WeakPolarHBondContact O-CG 3.48Å; D46-M50 PolarHBondContact O-N 2.9Å; I47-M50 PolarHBondContact O-N 2.9Å; M50-Q53 CarbonylContact O-C 3.5Å; M50-Q53 PolarHBondContact O-N 3.48Å; M50-Q53 VanDerWaalsContact O-N 3.14Å; M50-G54 PolarHBondContact O-N 3.05Å; M50-Q55 HydrophobicContact CE-CB 4.34Å; M50-Q55 PolarHBondContact O-N 3.02Å; M50-Q55 VanDerWaalsContact O-N 3.11Å; M50-A58 HydrophobicContact CE-CB 3.42Å; M50-A58 VanDerWaalsContact CE-CB 3.42Å; M50-V59 HydrophobicContact CB-CG2 3.84Å; M50-M62 HydrophobicContact CG-CE 4.17Å; M50-M62 HydrophobicContact CG-SD 4.07Å
51	A	87.8	Confident	90	Very high	14 Å²	14	78.3 Å²	78.3	12%	0.116	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-44.9	174.8	0	0	0	0	0	112.1	I47 K49 Q53 G54 M56 V59 L173	I47-A51 VanDerWaalsContact O-CB 3.25Å; I47-A51 WeakPolarHBondContact O-CB 3.27Å; I47-A51 PolarHBondContact O-N 2.95Å; K49-A51 VanDerWaalsContact C-N 3.32Å; A51-Q53 PolarHBondContact O-N 3.48Å; A51-G54 PolarHBondContact O-N 3.44Å; A51-M56 HydrophobicContact CB-CE 4.11Å; A51-M56 WeakPolarHBondContact O-CE 3.5Å; A51-V59 HydrophobicContact CB-CG2 3.87Å; A51-L173 HydrophobicContact CB-CD1 3.63Å; A51-L173 HydrophobicContact CB-CD2 3.66Å; A51-L173 HydrophobicContact CB-CG 4.17Å
52	K	87.3	Confident	89.7	Confident	173 Å²	173	73.9 Å²	73.9	75%	0.752	38%	0.38	S	S	*	.	H	α-helix	trans	-62.3	-24.6	173.9	-72.2	178.7	-179.3	-169	0	113.9	K48 K49 G54	K48-K52 WeakPolarHBondContact O-CG 3.39Å; K48-K52 PolarHBondContact O-N 3.35Å; K49-K52 PolarHBondContact O-N 3.35Å; K52-G54 VanDerWaalsContact C-N 3.28Å
53	Q	90.4	Very high	89.3	Confident	103 Å²	103	67.2 Å²	67.2	48%	0.481	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.3	176	-66.8	175.8	3.2	0	0	112.7	K49 M50 A51 Q55	K49-Q53 WeakPolarHBondContact O-CG 3.37Å; K49-Q53 PolarHBondContact O-N 3.18Å; M50-Q53 CarbonylContact O-C 3.5Å; M50-Q53 PolarHBondContact O-N 3.48Å; M50-Q53 VanDerWaalsContact O-N 3.14Å; A51-Q53 PolarHBondContact O-N 3.48Å; Q53-Q55 VanDerWaalsContact C-N 3.27Å; Q53-Q55 HydrophobicContact CB-CG 4.26Å; Q53-Q55 PolarHBondContact O-N 3.32Å
54	G	85.8	Confident	89.2	Confident	55 Å²	55	70.7 Å²	70.7	57%	0.567	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	11.8	-178.7	0	0	0	0	0	114.4	M50 A51 K52 M56	M50-G54 PolarHBondContact O-N 3.05Å; A51-G54 PolarHBondContact O-N 3.44Å; K52-G54 VanDerWaalsContact C-N 3.28Å; G54-M56 VanDerWaalsContact C-N 3.33Å; G54-M56 PolarHBondContact O-N 3.07Å
55	Q	89.8	Confident	89	Confident	91 Å²	91	71.8 Å²	71.8	43%	0.425	37%	0.372	S	S	.	.			trans	-86.7	68.8	-176.3	-63	-174.5	13.3	0	0	111.5	M50 Q53 D57 A58 V59	M50-Q55 HydrophobicContact CE-CB 4.34Å; M50-Q55 PolarHBondContact O-N 3.02Å; M50-Q55 VanDerWaalsContact O-N 3.11Å; Q53-Q55 VanDerWaalsContact C-N 3.27Å; Q53-Q55 HydrophobicContact CB-CG 4.26Å; Q53-Q55 PolarHBondContact O-N 3.32Å; Q55-D57 VanDerWaalsContact C-N 3.33Å; Q55-D57 PolarHBondContact O-N 3.01Å; Q55-A58 HydrophobicContact CB-CB 4.2Å; Q55-A58 PolarHBondContact O-N 3.33Å; Q55-V59 WeakPolarHBondContact O-CG2 3.29Å; Q55-V59 PolarHBondContact O-N 3.4Å
56	M	84.5	Confident	88.8	Confident	103 Å²	103	69 Å²	69	51%	0.507	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-32.9	-173.4	-68.9	-57	118.3	0	0	114.3	A51 G54 A58 V59 K60	A51-M56 HydrophobicContact CB-CE 4.11Å; A51-M56 WeakPolarHBondContact O-CE 3.5Å; G54-M56 VanDerWaalsContact C-N 3.33Å; G54-M56 PolarHBondContact O-N 3.07Å; M56-A58 PolarHBondContact O-N 3.01Å; M56-V59 HydrophobicContact CE-CG2 4.37Å; M56-V59 WeakPolarHBondContact O-CB 3.14Å; M56-V59 PolarHBondContact O-N 2.98Å; M56-K60 PolarHBondContact O-N 2.87Å
57	D	88.1	Confident	88.7	Confident	141 Å²	141	66.9 Å²	66.9	75%	0.754	34%	0.339	S	S	*	.	H	α-helix	trans	-63.4	-42.5	176	-67.2	-28.4	0	0	0	111.8	Q55 K60 I61	Q55-D57 VanDerWaalsContact C-N 3.33Å; Q55-D57 PolarHBondContact O-N 3.01Å; D57-K60 PolarHBondContact O-N 3.32Å; D57-I61 WeakPolarHBondContact O-CG1 3.19Å; D57-I61 PolarHBondContact O-N 2.94Å; D57-I61 VanDerWaalsContact O-N 3.16Å
58	A	88.5	Confident	88.6	Confident	25 Å²	25	73.3 Å²	73.3	21%	0.207	36%	0.363	C	S	.	.	H	α-helix	trans	-67.8	-37.8	176.2	0	0	0	0	0	111.6	M50 Q55 M56 I61 M62	M50-A58 HydrophobicContact CE-CB 3.42Å; M50-A58 VanDerWaalsContact CE-CB 3.42Å; Q55-A58 HydrophobicContact CB-CB 4.2Å; Q55-A58 PolarHBondContact O-N 3.33Å; M56-A58 PolarHBondContact O-N 3.01Å; A58-I61 PolarHBondContact O-N 3.16Å; A58-M62 WeakPolarHBondContact O-CB 3.38Å; A58-M62 WeakPolarHBondContact O-CG 3.3Å; A58-M62 PolarHBondContact O-N 3.44Å
59	V	89.1	Confident	88.7	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-60.4	-44.9	173.7	168.2	0	0	0	0	111	I47 M50 A51 Q55 M56 I61 M62 A63 L168	I47-V59 HydrophobicContact CG2-CG1 4.19Å; M50-V59 HydrophobicContact CB-CG2 3.84Å; A51-V59 HydrophobicContact CB-CG2 3.87Å; Q55-V59 WeakPolarHBondContact O-CG2 3.29Å; Q55-V59 PolarHBondContact O-N 3.4Å; M56-V59 HydrophobicContact CE-CG2 4.37Å; M56-V59 WeakPolarHBondContact O-CB 3.14Å; M56-V59 PolarHBondContact O-N 2.98Å; V59-I61 PolarHBondContact O-N 3.38Å; V59-M62 PolarHBondContact O-N 2.87Å; V59-A63 VanDerWaalsContact O-CB 3.26Å; V59-A63 WeakPolarHBondContact O-CB 3.32Å; V59-A63 PolarHBondContact O-N 2.89Å; V59-L168 HydrophobicContact CG1-CD1 4.32Å; V59-L168 HydrophobicContact CG1-CD2 3.37Å; V59-L168 HydrophobicContact CG1-CG 4.49Å
60	K	86.8	Confident	88.6	Confident	97 Å²	97	67.4 Å²	67.4	42%	0.422	34%	0.335	S	S	.	.	H	α-helix	trans	-62.5	-41.4	178.3	-167.5	171.4	-174.4	176.8	0	111.8	M56 D57 K64 D161 V164	M56-K60 PolarHBondContact O-N 2.87Å; D57-K60 PolarHBondContact O-N 3.32Å; K60-K64 PolarHBondContact O-N 2.98Å; K60-D161 IonicContact NZ-OD2 3.12Å; K60-D161 PolarHBondContact NZ-OD2 3.48Å; K60-V164 HydrophobicContact CG-CG1 4.39Å
61	I	89.5	Confident	88.6	Confident	124 Å²	124	69.2 Å²	69.2	64%	0.636	34%	0.343	S	S	*	.	H	α-helix	trans	-65.2	-47.6	176.6	-65.6	168.2	0	0	0	111	D57 A58 V59 A63 K64 D65	D57-I61 WeakPolarHBondContact O-CG1 3.19Å; D57-I61 PolarHBondContact O-N 2.94Å; D57-I61 VanDerWaalsContact O-N 3.16Å; A58-I61 PolarHBondContact O-N 3.16Å; V59-I61 PolarHBondContact O-N 3.38Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 3.02Å; I61-K64 PolarHBondContact O-N 2.87Å; I61-D65 PolarHBondContact O-N 3.31Å
62	M	88.1	Confident	88.6	Confident	57 Å²	57	73.7 Å²	73.7	28%	0.281	36%	0.358	S	S	.	.	H	α-helix	trans	-66.5	-33.6	179.5	-72	-173.7	178.1	0	0	112.4	D46 I47 M50 A58 V59 D65 L66	D46-M62 HydrophobicContact CB-CE 4.41Å; D46-M62 HydrophobicContact CB-SD 3.97Å; I47-M62 HydrophobicContact CD1-CB 4.12Å; I47-M62 HydrophobicContact CG1-CB 3.49Å; I47-M62 VanDerWaalsContact CG1-CB 3.49Å; I47-M62 HydrophobicContact CG1-SD 4.42Å; M50-M62 HydrophobicContact CG-CE 4.17Å; M50-M62 HydrophobicContact CG-SD 4.07Å; A58-M62 WeakPolarHBondContact O-CB 3.38Å; A58-M62 WeakPolarHBondContact O-CG 3.3Å; A58-M62 PolarHBondContact O-N 3.44Å; V59-M62 PolarHBondContact O-N 2.87Å; M62-D65 PolarHBondContact O-N 3.01Å; M62-L66 PolarHBondContact O-N 3.09Å
63	A	87.5	Confident	88.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-39.8	174.5	0	0	0	0	0	111.8	V59 I61 D65 L66 V67 V164	V59-A63 VanDerWaalsContact O-CB 3.26Å; V59-A63 WeakPolarHBondContact O-CB 3.32Å; V59-A63 PolarHBondContact O-N 2.89Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 3.02Å; A63-D65 VanDerWaalsContact C-N 3.3Å; A63-D65 PolarHBondContact O-N 3.47Å; A63-L66 WeakPolarHBondContact O-CB 3.49Å; A63-L66 PolarHBondContact O-N 3.43Å; A63-V67 WeakPolarHBondContact O-CG2 3.49Å; A63-V67 PolarHBondContact O-N 2.98Å; A63-V164 HydrophobicContact CB-CB 4.38Å; A63-V164 HydrophobicContact CB-CG1 3.65Å; A63-V164 HydrophobicContact CB-CG2 4.08Å
64	K	89.3	Confident	88.8	Confident	87 Å²	87	67.7 Å²	67.7	38%	0.378	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-40.1	171.9	-70.1	-173.6	-179.6	-154.1	0	112	K60 I61 L66 V67 R68 D161 V164	K60-K64 PolarHBondContact O-N 2.98Å; I61-K64 PolarHBondContact O-N 2.87Å; K64-L66 VanDerWaalsContact C-N 3.33Å; K64-V67 PolarHBondContact O-N 2.8Å; K64-R68 WeakPolarHBondContact O-CB 3.47Å; K64-R68 PolarHBondContact O-N 3.12Å; K64-D161 WeakPolarHBondContact CE-OD1 3.36Å; K64-D161 IonicContact NZ-OD1 3.7Å; K64-D161 PolarHBondContact NZ-OD1 3.27Å; K64-V164 HydrophobicContact CG-CG2 3.83Å
65	D	88.6	Confident	89	Confident	57 Å²	57	71 Å²	71	31%	0.305	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-34.8	176	-161.9	44.2	0	0	0	112.5	I43 I61 M62 A63 R68 T69	I43-D65 WeakPolarHBondContact CD1-OD2 3.38Å; I61-D65 PolarHBondContact O-N 3.31Å; M62-D65 PolarHBondContact O-N 3.01Å; A63-D65 VanDerWaalsContact C-N 3.3Å; A63-D65 PolarHBondContact O-N 3.47Å; D65-R68 PolarHBondContact O-N 3.32Å; D65-T69 WeakPolarHBondContact O-CB 3.31Å; D65-T69 PolarHBondContact O-N 3.41Å; D65-T69 PolarHBondContact O-OG1 3.49Å
66	L	90	Very high	89	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-48.5	173.7	-174.7	66.1	0	0	0	111.7	E40 I43 I44 I47 M62 A63 K64 R68 T69 R70 V167	E40-L66 HydrophobicContact CB-CD1 4.4Å; E40-L66 HydrophobicContact CG-CD1 3.42Å; E40-L66 VanDerWaalsContact CG-CD1 3.42Å; I43-L66 HydrophobicContact CB-CD1 4.23Å; I43-L66 HydrophobicContact CG2-CB 3.85Å; I43-L66 HydrophobicContact CG2-CD1 4.02Å; I43-L66 HydrophobicContact CG2-CG 4.49Å; I44-L66 HydrophobicContact CD1-CD1 4.19Å; I44-L66 HydrophobicContact CG1-CD1 3.7Å; I44-L66 HydrophobicContact CG1-CD2 3.82Å; I44-L66 HydrophobicContact CG1-CG 4.46Å; I47-L66 HydrophobicContact CD1-CB 4.06Å; I47-L66 HydrophobicContact CD1-CD2 3.99Å; M62-L66 PolarHBondContact O-N 3.09Å; A63-L66 WeakPolarHBondContact O-CB 3.49Å; A63-L66 PolarHBondContact O-N 3.43Å; K64-L66 VanDerWaalsContact C-N 3.33Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-R68 PolarHBondContact O-N 2.94Å; L66-T69 WeakPolarHBondContact O-CB 3.45Å; L66-T69 PolarHBondContact O-N 3.12Å; L66-R70 PolarHBondContact O-N 2.97Å; L66-V167 HydrophobicContact CD2-CG1 3.62Å
67	V	89.9	Confident	89.3	Confident	32 Å²	32	68 Å²	68	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-47.1	177.9	174.6	0	0	0	0	110.3	A63 K64 T69 R70 H71 V163 V164 V167	A63-V67 WeakPolarHBondContact O-CG2 3.49Å; A63-V67 PolarHBondContact O-N 2.98Å; K64-V67 PolarHBondContact O-N 2.8Å; V67-T69 VanDerWaalsContact C-N 3.3Å; V67-T69 PolarHBondContact O-N 3.48Å; V67-R70 PolarHBondContact O-N 3.1Å; V67-H71 PolarHBondContact O-N 3.17Å; V67-V163 HydrophobicContact CG1-CG1 4.02Å; V67-V163 HydrophobicContact CG2-CG1 3.66Å; V67-V164 HydrophobicContact CG2-CG2 4.39Å; V67-V167 HydrophobicContact CG2-CG2 4.23Å
68	R	88.8	Confident	89.5	Confident	135 Å²	135	65.3 Å²	65.3	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-43.1	175.6	-175.4	-178.3	-70.6	130.8	-3.3	112	K64 D65 L66 H71 Y72	K64-R68 WeakPolarHBondContact O-CB 3.47Å; K64-R68 PolarHBondContact O-N 3.12Å; D65-R68 PolarHBondContact O-N 3.32Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-R68 PolarHBondContact O-N 2.94Å; R68-H71 PolarHBondContact O-N 3.39Å; R68-Y72 HydrophobicContact CG-CD2 3.98Å; R68-Y72 HydrophobicContact CG-CE2 3.41Å; R68-Y72 VanDerWaalsContact CG-CE2 3.41Å; R68-Y72 VanDerWaalsContact O-CD2 3.29Å; R68-Y72 WeakPolarHBondContact O-CD2 3.4Å; R68-Y72 PolarHBondContact O-N 3.29Å
69	T	91.8	Very high	89.5	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-44.6	177.7	-59.3	0	0	0	0	111.5	L36 E40 D65 L66 V67 H71 Y72 V73	L36-T69 HydrophobicContact CB-CG2 4.4Å; L36-T69 HydrophobicContact CD2-CG2 4.46Å; E40-T69 HydrophobicContact CB-CG2 4.08Å; D65-T69 WeakPolarHBondContact O-CB 3.31Å; D65-T69 PolarHBondContact O-N 3.41Å; D65-T69 PolarHBondContact O-OG1 3.49Å; L66-T69 WeakPolarHBondContact O-CB 3.45Å; L66-T69 PolarHBondContact O-N 3.12Å; V67-T69 VanDerWaalsContact C-N 3.3Å; V67-T69 PolarHBondContact O-N 3.48Å; T69-H71 PolarHBondContact O-N 3.46Å; T69-Y72 PolarHBondContact O-N 3.1Å; T69-V73 WeakPolarHBondContact O-CG2 3.46Å; T69-V73 PolarHBondContact O-N 3.12Å
70	R	90.6	Very high	89.7	Confident	81 Å²	81	71.7 Å²	71.7	31%	0.306	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-43.7	174.9	-75.8	179.9	171.7	180	-0.6	112	E40 L66 V67 Y72 V73 K74 E170	E40-R70 HydrophobicContact CG-CG 4.39Å; E40-R70 VanDerWaalsContact OE1-CG 3.29Å; E40-R70 WeakPolarHBondContact OE1-CG 3.48Å; E40-R70 IonicContact OE1-CZ 2.73Å; E40-R70 IonicContact OE1-NE 2.77Å; E40-R70 PolarHBondContact OE1-NE 3.13Å; E40-R70 IonicContact OE1-NH2 2.97Å; L66-R70 PolarHBondContact O-N 2.97Å; V67-R70 PolarHBondContact O-N 3.1Å; R70-Y72 PolarHBondContact O-N 3.15Å; R70-V73 WeakPolarHBondContact O-CB 3.43Å; R70-V73 PolarHBondContact O-N 2.93Å; R70-K74 PolarHBondContact O-N 2.85Å; R70-E170 IonicContact CZ-OE2 3.39Å; R70-E170 IonicContact NH1-OE2 3.79Å; R70-E170 PolarHBondContact NH1-OE2 3.49Å; R70-E170 VanDerWaalsContact NH1-OE2 3.12Å; R70-E170 IonicContact NH2-OE2 2.9Å
71	H	88.3	Confident	89.9	Confident	72 Å²	72	69.5 Å²	69.5	33%	0.333	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-43.8	176.3	-177.2	96.5	0	0	0	111.1	V67 R68 T69 V73 K74 K75 D156	V67-H71 PolarHBondContact O-N 3.17Å; R68-H71 PolarHBondContact O-N 3.39Å; T69-H71 PolarHBondContact O-N 3.46Å; H71-V73 PolarHBondContact O-N 3.08Å; H71-K74 WeakPolarHBondContact O-CB 3.23Å; H71-K74 PolarHBondContact O-N 2.95Å; H71-K75 WeakPolarHBondContact O-CB 3.38Å; H71-K75 PolarHBondContact O-N 3.13Å; H71-D156 IonicContact CE1-OD2 3.79Å; H71-D156 PolarHBondContact CE1-OD2 2.89Å; H71-D156 IonicContact ND1-OD2 2.56Å; H71-D156 PolarHBondContact ND1-OD2 3.35Å
72	Y	88.5	Confident	89.8	Confident	108 Å²	108	67.3 Å²	67.3	42%	0.424	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-44.3	173.6	-70.1	-44.1	0	0	0	112.2	R68 T69 R70 K74 K75 F76	R68-Y72 HydrophobicContact CG-CD2 3.98Å; R68-Y72 HydrophobicContact CG-CE2 3.41Å; R68-Y72 VanDerWaalsContact CG-CE2 3.41Å; R68-Y72 VanDerWaalsContact O-CD2 3.29Å; R68-Y72 WeakPolarHBondContact O-CD2 3.4Å; R68-Y72 PolarHBondContact O-N 3.29Å; T69-Y72 PolarHBondContact O-N 3.1Å; R70-Y72 PolarHBondContact O-N 3.15Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 3.45Å; Y72-K75 WeakPolarHBondContact O-CB 3.38Å; Y72-K75 PolarHBondContact O-N 3.48Å; Y72-K75 VanDerWaalsContact O-N 3.13Å; Y72-F76 VanDerWaalsContact O-CD2 3.23Å; Y72-F76 WeakPolarHBondContact O-CD2 3.4Å; Y72-F76 PolarHBondContact O-N 3.45Å
73	V	91.7	Very high	89.9	Confident	16 Å²	16	66.1 Å²	66.1	10%	0.097	31%	0.307	C	S	.	.	H	α-helix	trans	-55.7	-47	175.3	171.6	0	0	0	0	111.1	R33 L36 E37 T69 R70 H71 K75 F76 I77	R33-V73 HydrophobicContact CG-CG1 4.02Å; L36-V73 HydrophobicContact CB-CG2 3.71Å; E37-V73 HydrophobicContact CG-CG1 4.3Å; E37-V73 HydrophobicContact CG-CG2 4.34Å; T69-V73 WeakPolarHBondContact O-CG2 3.46Å; T69-V73 PolarHBondContact O-N 3.12Å; R70-V73 WeakPolarHBondContact O-CB 3.43Å; R70-V73 PolarHBondContact O-N 2.93Å; H71-V73 PolarHBondContact O-N 3.08Å; V73-K75 PolarHBondContact O-N 2.89Å; V73-F76 PolarHBondContact O-N 3.38Å; V73-I77 HydrophobicContact CG1-CD1 4.15Å; V73-I77 WeakPolarHBondContact O-CG1 3.46Å; V73-I77 PolarHBondContact O-N 2.91Å
74	K	90.7	Very high	90	Very high	135 Å²	135	70.4 Å²	70.4	59%	0.587	33%	0.327	S	S	*	.	H	α-helix	trans	-58.2	-46.7	174.9	-174.3	-176.4	176.4	-170.7	0	111.4	R70 H71 Y72 F76 I77 M78	R70-K74 PolarHBondContact O-N 2.85Å; H71-K74 WeakPolarHBondContact O-CB 3.23Å; H71-K74 PolarHBondContact O-N 2.95Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 3.45Å; K74-F76 VanDerWaalsContact C-N 3.34Å; K74-F76 PolarHBondContact O-N 3.48Å; K74-I77 WeakPolarHBondContact O-CB 3.36Å; K74-I77 PolarHBondContact O-N 3.41Å; K74-I77 VanDerWaalsContact O-N 3.15Å; K74-M78 PolarHBondContact O-N 3.26Å
75	K	89.6	Confident	90.1	Very high	125 Å²	125	68.9 Å²	68.9	54%	0.543	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-39.5	177.4	-168.4	167.6	-171.8	159.7	0	112.6	H71 Y72 V73 M78 M79	H71-K75 WeakPolarHBondContact O-CB 3.38Å; H71-K75 PolarHBondContact O-N 3.13Å; Y72-K75 WeakPolarHBondContact O-CB 3.38Å; Y72-K75 PolarHBondContact O-N 3.48Å; Y72-K75 VanDerWaalsContact O-N 3.13Å; V73-K75 PolarHBondContact O-N 2.89Å; K75-M78 PolarHBondContact O-N 3.21Å; K75-M79 VanDerWaalsContact O-CB 3.3Å; K75-M79 WeakPolarHBondContact O-CB 3.44Å; K75-M79 PolarHBondContact O-N 3.41Å
76	F	90.3	Very high	90.1	Very high	42 Å²	42	69.6 Å²	69.6	18%	0.184	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-38.1	174.7	-89.2	-84.2	0	0	0	112.5	L29 E32 R33 L36 Y72 V73 K74 M79 R80	L29-F76 HydrophobicContact CB-CD1 4.22Å; L29-F76 HydrophobicContact CD2-CD1 3.69Å; L29-F76 HydrophobicContact CD2-CE1 3.58Å; L29-F76 HydrophobicContact CG-CD1 4.49Å; E32-F76 HydrophobicContact CB-CD1 4.36Å; E32-F76 HydrophobicContact CB-CE1 3.74Å; E32-F76 HydrophobicContact CB-CZ 4.06Å; E32-F76 HydrophobicContact CG-CE1 3.81Å; E32-F76 HydrophobicContact CG-CE2 4.31Å; E32-F76 HydrophobicContact CG-CZ 3.58Å; R33-F76 HydrophobicContact CB-CB 4.24Å; R33-F76 HydrophobicContact CG-CB 4.34Å; L36-F76 HydrophobicContact CD1-CD2 3.61Å; L36-F76 HydrophobicContact CD1-CE2 3.57Å; Y72-F76 VanDerWaalsContact O-CD2 3.23Å; Y72-F76 WeakPolarHBondContact O-CD2 3.4Å; Y72-F76 PolarHBondContact O-N 3.45Å; V73-F76 PolarHBondContact O-N 3.38Å; K74-F76 VanDerWaalsContact C-N 3.34Å; K74-F76 PolarHBondContact O-N 3.48Å; F76-M79 HydrophobicContact CD1-CE 3.98Å; F76-M79 HydrophobicContact CE1-CE 4.01Å; F76-R80 WeakPolarHBondContact O-CB 3.44Å; F76-R80 PolarHBondContact O-N 3.25Å
77	I	90.2	Very high	90.1	Very high	89 Å²	89	70 Å²	70	46%	0.456	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-48.1	174.9	-67.4	165.8	0	0	0	110.4	V73 K74 R80 A81	V73-I77 HydrophobicContact CG1-CD1 4.15Å; V73-I77 WeakPolarHBondContact O-CG1 3.46Å; V73-I77 PolarHBondContact O-N 2.91Å; K74-I77 WeakPolarHBondContact O-CB 3.36Å; K74-I77 PolarHBondContact O-N 3.41Å; K74-I77 VanDerWaalsContact O-N 3.15Å; I77-R80 WeakPolarHBondContact O-CB 3.35Å; I77-R80 PolarHBondContact O-N 3.19Å; I77-A81 PolarHBondContact O-N 3.05Å
78	M	91.1	Very high	90.1	Very high	84 Å²	84	73 Å²	73	41%	0.414	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-46.1	178.3	-175.5	-175.8	-85.9	0	0	111.6	K74 K75 R80 A81 N82 M151	K74-M78 PolarHBondContact O-N 3.26Å; K75-M78 PolarHBondContact O-N 3.21Å; M78-R80 VanDerWaalsContact C-N 3.33Å; M78-R80 PolarHBondContact O-N 3.39Å; M78-A81 WeakPolarHBondContact O-CB 3.37Å; M78-A81 PolarHBondContact O-N 3.48Å; M78-A81 VanDerWaalsContact O-N 3.11Å; M78-N82 PolarHBondContact O-N 2.89Å; M78-M151 HydrophobicContact CE-CE 3.78Å; M78-M151 HydrophobicContact CG-CE 3.77Å; M78-M151 HydrophobicContact SD-CE 3.2Å; M78-M151 WeakPolarHBondContact SD-CE 3.5Å
79	M	89.6	Confident	90	Very high	77 Å²	77	71.3 Å²	71.3	38%	0.379	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-38.6	177.2	-174.7	168.8	47.9	0	0	112.2	L29 K75 F76 N82 I83	L29-M79 HydrophobicContact CD1-CB 4.25Å; L29-M79 HydrophobicContact CD1-CE 4.01Å; L29-M79 HydrophobicContact CD1-CG 3.79Å; L29-M79 HydrophobicContact CD1-SD 4.38Å; L29-M79 HydrophobicContact CD2-CE 3.28Å; L29-M79 HydrophobicContact CD2-SD 4.32Å; L29-M79 HydrophobicContact CG-CE 4.28Å; K75-M79 VanDerWaalsContact O-CB 3.3Å; K75-M79 WeakPolarHBondContact O-CB 3.44Å; K75-M79 PolarHBondContact O-N 3.41Å; F76-M79 HydrophobicContact CD1-CE 3.98Å; F76-M79 HydrophobicContact CE1-CE 4.01Å; M79-N82 PolarHBondContact O-N 3.12Å; M79-I83 WeakPolarHBondContact O-CG1 3.25Å; M79-I83 PolarHBondContact O-N 3.29Å
80	R	92.5	Very high	89.7	Confident	84 Å²	84	72.2 Å²	72.2	32%	0.317	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-45.6	172.4	177.5	-166.3	160.4	159	-4.3	111.1	L29 D30 F76 I77 M78 N82 I83 Q84	L29-R80 HydrophobicContact CD1-CB 4.38Å; D30-R80 WeakPolarHBondContact OD1-CD 3.47Å; D30-R80 IonicContact OD1-CZ 3.76Å; D30-R80 IonicContact OD1-NE 2.78Å; D30-R80 IonicContact OD1-NH1 2.89Å; D30-R80 PolarHBondContact OD1-NH1 2.95Å; D30-R80 IonicContact OD2-CZ 3.61Å; D30-R80 IonicContact OD2-NE 3.84Å; D30-R80 IonicContact OD2-NH1 3.95Å; D30-R80 PolarHBondContact OD2-NH1 3.17Å; F76-R80 WeakPolarHBondContact O-CB 3.44Å; F76-R80 PolarHBondContact O-N 3.25Å; I77-R80 WeakPolarHBondContact O-CB 3.35Å; I77-R80 PolarHBondContact O-N 3.19Å; M78-R80 VanDerWaalsContact C-N 3.33Å; M78-R80 PolarHBondContact O-N 3.39Å; R80-N82 VanDerWaalsContact C-N 3.31Å; R80-N82 PolarHBondContact O-N 3.35Å; R80-I83 PolarHBondContact O-N 2.89Å; R80-Q84 WeakPolarHBondContact O-CB 3.48Å; R80-Q84 PolarHBondContact O-N 3.05Å
81	A	91.3	Very high	89.6	Confident	51 Å²	51	73.5 Å²	73.5	42%	0.421	37%	0.365	S	S	.	.	H	α-helix	trans	-59.8	-43.2	178.6	0	0	0	0	0	111.3	I77 M78 Q84 A85	I77-A81 PolarHBondContact O-N 3.05Å; M78-A81 WeakPolarHBondContact O-CB 3.37Å; M78-A81 PolarHBondContact O-N 3.48Å; M78-A81 VanDerWaalsContact O-N 3.11Å; A81-Q84 WeakPolarHBondContact O-CB 3.32Å; A81-Q84 PolarHBondContact O-N 2.96Å; A81-A85 PolarHBondContact O-N 2.99Å
82	N	87.6	Confident	89.6	Confident	78 Å²	78	73.9 Å²	73.9	42%	0.417	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-45	176.8	-67.3	-8.5	0	0	0	111.9	M78 M79 R80 Q84 A85 V86	M78-N82 PolarHBondContact O-N 2.89Å; M79-N82 PolarHBondContact O-N 3.12Å; R80-N82 VanDerWaalsContact C-N 3.31Å; R80-N82 PolarHBondContact O-N 3.35Å; N82-Q84 VanDerWaalsContact C-N 3.29Å; N82-Q84 PolarHBondContact O-N 2.99Å; N82-A85 WeakPolarHBondContact O-CB 3.39Å; N82-A85 PolarHBondContact O-N 3.43Å; N82-V86 WeakPolarHBondContact O-CG2 3.44Å; N82-V86 PolarHBondContact O-N 3.36Å
83	I	90.1	Very high	89.4	Confident	31 Å²	31	73 Å²	73	16%	0.159	37%	0.374	C	S	.	.	H	α-helix	trans	-62.7	-38.7	175.2	-67.4	-180	0	0	0	111.2	L22 A25 M26 L29 M79 R80 V86 S87	L22-I83 HydrophobicContact CB-CG2 4.08Å; L22-I83 HydrophobicContact CD2-CG2 4.08Å; A25-I83 HydrophobicContact CB-CD1 4.06Å; M26-I83 HydrophobicContact CG-CB 4.11Å; M26-I83 HydrophobicContact CG-CG2 3.43Å; M26-I83 VanDerWaalsContact CG-CG2 3.43Å; M26-I83 HydrophobicContact SD-CG2 4.18Å; L29-I83 HydrophobicContact CD1-CD1 3.55Å; M79-I83 WeakPolarHBondContact O-CG1 3.25Å; M79-I83 PolarHBondContact O-N 3.29Å; R80-I83 PolarHBondContact O-N 2.89Å; I83-V86 PolarHBondContact O-N 2.83Å; I83-S87 VanDerWaalsContact O-CB 3.23Å; I83-S87 WeakPolarHBondContact O-CB 3.44Å; I83-S87 PolarHBondContact O-N 3.23Å
84	Q	90.7	Very high	89.1	Confident	90 Å²	90	76.5 Å²	76.5	42%	0.421	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-41.2	176.4	-176.1	173.4	-21.1	0	0	111.4	M26 R80 A81 N82 S87 L88	M26-Q84 HydrophobicContact SD-CB 4Å; R80-Q84 WeakPolarHBondContact O-CB 3.48Å; R80-Q84 PolarHBondContact O-N 3.05Å; A81-Q84 WeakPolarHBondContact O-CB 3.32Å; A81-Q84 PolarHBondContact O-N 2.96Å; N82-Q84 VanDerWaalsContact C-N 3.29Å; N82-Q84 PolarHBondContact O-N 2.99Å; Q84-S87 WeakPolarHBondContact O-CB 3.38Å; Q84-S87 PolarHBondContact O-N 2.97Å; Q84-L88 WeakPolarHBondContact O-CG 3.3Å; Q84-L88 PolarHBondContact O-N 3.39Å
85	A	90.6	Very high	88.8	Confident	55 Å²	55	73.3 Å²	73.3	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-47.2	174.5	0	0	0	0	0	111.7	A81 N82 S87 L88 K89	A81-A85 PolarHBondContact O-N 2.99Å; N82-A85 WeakPolarHBondContact O-CB 3.39Å; N82-A85 PolarHBondContact O-N 3.43Å; A85-S87 VanDerWaalsContact C-N 3.32Å; A85-S87 PolarHBondContact O-N 2.7Å; A85-L88 WeakPolarHBondContact O-CB 3.39Å; A85-L88 PolarHBondContact O-N 2.97Å; A85-K89 PolarHBondContact O-N 3.12Å
86	V	89.1	Confident	88.7	Confident	73 Å²	73	70.8 Å²	70.8	44%	0.442	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-41.3	175.4	176.2	0	0	0	0	111.3	L22 N82 I83 L88 K89 I90	L22-V86 HydrophobicContact CD1-CG1 4.02Å; N82-V86 WeakPolarHBondContact O-CG2 3.44Å; N82-V86 PolarHBondContact O-N 3.36Å; I83-V86 PolarHBondContact O-N 2.83Å; V86-L88 VanDerWaalsContact C-N 3.32Å; V86-L88 PolarHBondContact O-N 3.13Å; V86-K89 WeakPolarHBondContact O-CB 3.45Å; V86-K89 PolarHBondContact O-N 2.77Å; V86-I90 HydrophobicContact CG1-CD1 4.37Å; V86-I90 WeakPolarHBondContact O-CG1 3.2Å; V86-I90 PolarHBondContact O-N 3.41Å
87	S	89.3	Confident	88.4	Confident	9 Å²	9	71 Å²	71	6%	0.063	38%	0.378	C	S	.	.	H	α-helix	trans	-60.3	-39.9	175.9	164.6	0	0	0	0	112.3	Q19 I83 Q84 A85 Q91	Q19-S87 PolarHBondContact NE2-O 3.34Å; Q19-S87 PolarHBondContact NE2-OG 3.03Å; Q19-S87 PolarHBondContact OE1-O 2.78Å; I83-S87 VanDerWaalsContact O-CB 3.23Å; I83-S87 WeakPolarHBondContact O-CB 3.44Å; I83-S87 PolarHBondContact O-N 3.23Å; Q84-S87 WeakPolarHBondContact O-CB 3.38Å; Q84-S87 PolarHBondContact O-N 2.97Å; A85-S87 VanDerWaalsContact C-N 3.32Å; A85-S87 PolarHBondContact O-N 2.7Å; S87-Q91 PolarHBondContact O-N 2.96Å; S87-Q91 VanDerWaalsContact O-N 3.1Å
88	L	90	Very high	88.2	Confident	93 Å²	93	69.5 Å²	69.5	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-67.2	-42.5	173.9	-72	168.9	0	0	0	111.5	Q84 A85 V86 I90 Q91 T92	Q84-L88 WeakPolarHBondContact O-CG 3.3Å; Q84-L88 PolarHBondContact O-N 3.39Å; A85-L88 WeakPolarHBondContact O-CB 3.39Å; A85-L88 PolarHBondContact O-N 2.97Å; V86-L88 VanDerWaalsContact C-N 3.32Å; V86-L88 PolarHBondContact O-N 3.13Å; L88-I90 VanDerWaalsContact C-N 3.33Å; L88-I90 PolarHBondContact O-N 2.9Å; L88-Q91 WeakPolarHBondContact O-CA 3.45Å; L88-Q91 WeakPolarHBondContact O-CB 2.97Å; L88-Q91 PolarHBondContact O-N 3.47Å; L88-Q91 VanDerWaalsContact O-N 3.09Å; L88-T92 PolarHBondContact O-N 2.94Å; L88-T92 PolarHBondContact O-OG1 3.21Å
89	K	86	Confident	87.9	Confident	101 Å²	101	71.2 Å²	71.2	44%	0.439	39%	0.385	S	S	.	.	H	α-helix	trans	-58.4	-44.1	175.5	-168.7	174.2	-174.9	174.7	0	111.8	A85 V86 Q91 T92 L93 E140	A85-K89 PolarHBondContact O-N 3.12Å; V86-K89 WeakPolarHBondContact O-CB 3.45Å; V86-K89 PolarHBondContact O-N 2.77Å; K89-Q91 VanDerWaalsContact C-N 3.32Å; K89-Q91 PolarHBondContact O-N 3.34Å; K89-T92 WeakPolarHBondContact O-CB 3.42Å; K89-T92 PolarHBondContact O-N 2.86Å; K89-L93 WeakPolarHBondContact O-CG 3.23Å; K89-L93 PolarHBondContact O-N 3.23Å; K89-E140 WeakPolarHBondContact CE-OE1 3.47Å; K89-E140 IonicContact NZ-OE1 3.74Å; K89-E140 PolarHBondContact NZ-OE1 2.96Å
90	I	86.9	Confident	87.6	Confident	23 Å²	23	70.2 Å²	70.2	12%	0.118	39%	0.388	C	S	.	.	H	α-helix	trans	-62.4	-39.4	174.8	-68.5	-178.2	0	0	0	111.6	L15 N18 L22 V86 L88 L93 K94	L15-I90 HydrophobicContact CD2-CG2 3.97Å; N18-I90 HydrophobicContact CB-CD1 4.18Å; L22-I90 HydrophobicContact CD1-CD1 3.52Å; V86-I90 HydrophobicContact CG1-CD1 4.37Å; V86-I90 WeakPolarHBondContact O-CG1 3.2Å; V86-I90 PolarHBondContact O-N 3.41Å; L88-I90 VanDerWaalsContact C-N 3.33Å; L88-I90 PolarHBondContact O-N 2.9Å; I90-L93 PolarHBondContact O-N 3.46Å; I90-K94 PolarHBondContact O-N 3Å
91	Q	87.6	Confident	87.3	Confident	108 Å²	108	71.1 Å²	71.1	51%	0.505	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-42.8	175	-178.7	174.2	-13.9	0	0	111.7	S87 L88 K89 K94 S95	S87-Q91 PolarHBondContact O-N 2.96Å; S87-Q91 VanDerWaalsContact O-N 3.1Å; L88-Q91 WeakPolarHBondContact O-CA 3.45Å; L88-Q91 WeakPolarHBondContact O-CB 2.97Å; L88-Q91 PolarHBondContact O-N 3.47Å; L88-Q91 VanDerWaalsContact O-N 3.09Å; K89-Q91 VanDerWaalsContact C-N 3.32Å; K89-Q91 PolarHBondContact O-N 3.34Å; Q91-K94 WeakPolarHBondContact O-CB 3.41Å; Q91-K94 PolarHBondContact O-N 3.28Å; Q91-S95 PolarHBondContact O-N 3.39Å; Q91-S95 VanDerWaalsContact O-N 3.11Å; Q91-S95 PolarHBondContact O-OG 3.17Å
92	T	87.8	Confident	87	Confident	79 Å²	79	71.6 Å²	71.6	49%	0.485	40%	0.4	S	S	.	.	H	α-helix	trans	-60.9	-46.9	173.8	-57	0	0	0	0	111.3	L88 K89 K94 S95 N96	L88-T92 PolarHBondContact O-N 2.94Å; L88-T92 PolarHBondContact O-OG1 3.21Å; K89-T92 WeakPolarHBondContact O-CB 3.42Å; K89-T92 PolarHBondContact O-N 2.86Å; T92-K94 VanDerWaalsContact C-N 3.28Å; T92-K94 PolarHBondContact O-N 3.01Å; T92-S95 WeakPolarHBondContact O-CB 3.41Å; T92-S95 PolarHBondContact O-N 2.87Å; T92-S95 VanDerWaalsContact O-N 3.1Å; T92-N96 PolarHBondContact O-N 3.45Å; T92-N96 PolarHBondContact O-OD1 2.88Å
93	L	85.5	Confident	86.8	Confident	89 Å²	89	73 Å²	73	47%	0.466	41%	0.406	S	S	.	.	H	α-helix	trans	-58.8	-38.7	176.9	-71	174.1	0	0	0	112.5	K89 I90 N96 N97	K89-L93 WeakPolarHBondContact O-CG 3.23Å; K89-L93 PolarHBondContact O-N 3.23Å; I90-L93 PolarHBondContact O-N 3.46Å; L93-N96 PolarHBondContact O-N 3.42Å; L93-N97 WeakPolarHBondContact O-CB 3.43Å; L93-N97 PolarHBondContact O-N 2.96Å
94	K	85	Confident	86.5	Confident	90 Å²	90	78.4 Å²	78.4	39%	0.391	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-43.9	175.4	-177.2	-171.5	171.7	-163.7	0	111.6	L15 I90 Q91 T92 N97 S98	L15-K94 HydrophobicContact CD1-CB 4.38Å; I90-K94 PolarHBondContact O-N 3Å; Q91-K94 WeakPolarHBondContact O-CB 3.41Å; Q91-K94 PolarHBondContact O-N 3.28Å; T92-K94 VanDerWaalsContact C-N 3.28Å; T92-K94 PolarHBondContact O-N 3.01Å; K94-N97 PolarHBondContact O-N 3.31Å; K94-S98 PolarHBondContact O-N 3.38Å; K94-S98 PolarHBondContact O-OG 2.99Å
95	S	84.7	Confident	86.3	Confident	68 Å²	68	76.3 Å²	76.3	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.4	-62.8	0	0	0	0	111.5	Q91 T92 N97 S98 M99	Q91-S95 PolarHBondContact O-N 3.39Å; Q91-S95 VanDerWaalsContact O-N 3.11Å; Q91-S95 PolarHBondContact O-OG 3.17Å; T92-S95 WeakPolarHBondContact O-CB 3.41Å; T92-S95 PolarHBondContact O-N 2.87Å; T92-S95 VanDerWaalsContact O-N 3.1Å; S95-N97 PolarHBondContact O-N 3.11Å; S95-S98 WeakPolarHBondContact O-CB 3.39Å; S95-S98 PolarHBondContact O-N 2.94Å; S95-M99 PolarHBondContact O-N 3.15Å
96	N	86.1	Confident	86	Confident	73 Å²	73	77.9 Å²	77.9	39%	0.39	43%	0.434	S	S	.	.	H	α-helix	trans	-62.1	-41.7	176.1	-71.2	0.7	0	0	0	111.8	T92 L93 S98 M99 A100	T92-N96 PolarHBondContact O-N 3.45Å; T92-N96 PolarHBondContact O-OD1 2.88Å; L93-N96 PolarHBondContact O-N 3.42Å; N96-S98 PolarHBondContact O-N 3.44Å; N96-M99 PolarHBondContact O-N 3.16Å; N96-A100 WeakPolarHBondContact O-CB 3.42Å; N96-A100 PolarHBondContact O-N 2.86Å
97	N	84.9	Confident	85.7	Confident	45 Å²	45	78.2 Å²	78.2	24%	0.241	44%	0.437	C	S	.	.	H	α-helix	trans	-63.4	-42.7	175.5	-168.2	-13.9	0	0	0	111.3	L93 K94 S95 M99 A100 Q101	L93-N97 WeakPolarHBondContact O-CB 3.43Å; L93-N97 PolarHBondContact O-N 2.96Å; K94-N97 PolarHBondContact O-N 3.31Å; S95-N97 PolarHBondContact O-N 3.11Å; N97-M99 VanDerWaalsContact C-N 3.32Å; N97-M99 PolarHBondContact O-N 3.29Å; N97-A100 PolarHBondContact O-N 2.91Å; N97-Q101 WeakPolarHBondContact O-CG 3.41Å; N97-Q101 PolarHBondContact O-N 2.99Å
98	S	85.2	Confident	85.5	Confident	59 Å²	59	85.4 Å²	85.4	41%	0.413	47%	0.467	S	S	.	.	H	α-helix	trans	-62.2	-41.1	176.9	-54.2	0	0	0	0	111.5	K94 S95 N96 Q101 A102	K94-S98 PolarHBondContact O-N 3.38Å; K94-S98 PolarHBondContact O-OG 2.99Å; S95-S98 WeakPolarHBondContact O-CB 3.39Å; S95-S98 PolarHBondContact O-N 2.94Å; N96-S98 PolarHBondContact O-N 3.44Å; S98-Q101 PolarHBondContact O-N 3.31Å; S98-A102 PolarHBondContact O-N 3.41Å
99	M	84.6	Confident	85	Confident	120 Å²	120	83.9 Å²	83.9	59%	0.591	47%	0.468	S	S	*	.	H	α-helix	trans	-63.9	-44.8	173.5	-173.3	177.7	-68.6	0	0	111.6	S95 N96 N97 Q101 A102 M103	S95-M99 PolarHBondContact O-N 3.15Å; N96-M99 PolarHBondContact O-N 3.16Å; N97-M99 VanDerWaalsContact C-N 3.32Å; N97-M99 PolarHBondContact O-N 3.29Å; M99-Q101 VanDerWaalsContact C-N 3.33Å; M99-Q101 PolarHBondContact O-N 3.5Å; M99-A102 PolarHBondContact O-N 2.94Å; M99-M103 HydrophobicContact CG-CG 4.38Å; M99-M103 HydrophobicContact CG-SD 4.4Å; M99-M103 WeakPolarHBondContact O-CB 3.49Å; M99-M103 WeakPolarHBondContact O-CG 3.26Å; M99-M103 PolarHBondContact O-N 2.8Å
100	A	84.6	Confident	84.6	Confident	55 Å²	55	84.4 Å²	84.4	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-61.4	-39.2	176.5	0	0	0	0	0	112.3	N96 N97 K104	N96-A100 WeakPolarHBondContact O-CB 3.42Å; N96-A100 PolarHBondContact O-N 2.86Å; N97-A100 PolarHBondContact O-N 2.91Å; A100-K104 VanDerWaalsContact O-CB 3.31Å; A100-K104 WeakPolarHBondContact O-CB 3.48Å; A100-K104 PolarHBondContact O-N 3.19Å
101	Q	85.8	Confident	84.2	Confident	103 Å²	103	85.7 Å²	85.7	48%	0.481	49%	0.487	S	S	.	.	H	α-helix	trans	-65.3	-42.8	173.9	-67.4	-59.9	-26.9	0	0	111.9	N97 S98 M99 K104 G105	N97-Q101 WeakPolarHBondContact O-CG 3.41Å; N97-Q101 PolarHBondContact O-N 2.99Å; S98-Q101 PolarHBondContact O-N 3.31Å; M99-Q101 VanDerWaalsContact C-N 3.33Å; M99-Q101 PolarHBondContact O-N 3.5Å; Q101-K104 WeakPolarHBondContact O-CB 3.49Å; Q101-K104 PolarHBondContact O-N 3Å; Q101-G105 PolarHBondContact O-N 3Å; Q101-G105 VanDerWaalsContact O-N 3.15Å
102	A	84.6	Confident	83.8	Confident	62 Å²	62	84.7 Å²	84.7	51%	0.512	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-46.9	175.8	0	0	0	0	0	111.2	S98 M99 K104 G105 V106	S98-A102 PolarHBondContact O-N 3.41Å; M99-A102 PolarHBondContact O-N 2.94Å; A102-K104 VanDerWaalsContact C-N 3.32Å; A102-K104 PolarHBondContact O-N 3.21Å; A102-G105 PolarHBondContact O-N 3.41Å; A102-G105 VanDerWaalsContact O-N 3.1Å; A102-V106 WeakPolarHBondContact O-CG2 3.47Å; A102-V106 PolarHBondContact O-N 3.23Å
103	M	83.8	Confident	82.8	Confident	108 Å²	108	86.1 Å²	86.1	53%	0.532	49%	0.491	S	S	.	.	H	α-helix	trans	-61.4	-38.9	175.3	-70.4	-167.5	97.7	0	0	111.4	M99 G105 V106 T107	M99-M103 HydrophobicContact CG-CG 4.38Å; M99-M103 HydrophobicContact CG-SD 4.4Å; M99-M103 WeakPolarHBondContact O-CB 3.49Å; M99-M103 WeakPolarHBondContact O-CG 3.26Å; M99-M103 PolarHBondContact O-N 2.8Å; M103-G105 VanDerWaalsContact C-N 3.28Å; M103-G105 PolarHBondContact O-N 3Å; M103-V106 CarbonylContact O-C 3.48Å; M103-V106 PolarHBondContact O-N 3.4Å; M103-V106 VanDerWaalsContact O-N 3.13Å; M103-T107 WeakPolarHBondContact O-CB 3.37Å; M103-T107 PolarHBondContact O-N 3.46Å; M103-T107 PolarHBondContact O-OG1 3.36Å
104	K	84.6	Confident	81.7	Confident	144 Å²	144	83.4 Å²	83.4	63%	0.626	48%	0.477	S	S	*	.	H	α-helix	trans	-58.1	-40.1	173.6	-175.3	179.6	-178.1	178.1	0	112.2	A100 Q101 A102 K108	A100-K104 VanDerWaalsContact O-CB 3.31Å; A100-K104 WeakPolarHBondContact O-CB 3.48Å; A100-K104 PolarHBondContact O-N 3.19Å; Q101-K104 WeakPolarHBondContact O-CB 3.49Å; Q101-K104 PolarHBondContact O-N 3Å; A102-K104 VanDerWaalsContact C-N 3.32Å; A102-K104 PolarHBondContact O-N 3.21Å; K104-K108 VanDerWaalsContact O-CB 3.3Å; K104-K108 WeakPolarHBondContact O-CB 3.5Å; K104-K108 PolarHBondContact O-N 3.43Å
105	G	86.5	Confident	80.9	Confident	46 Å²	46	90.1 Å²	90.1	47%	0.474	50%	0.5	S	S	.	.	H	α-helix	trans	-64	-47.1	173.2	0	0	0	0	0	112.4	Q101 A102 M103 K108 A109	Q101-G105 PolarHBondContact O-N 3Å; Q101-G105 VanDerWaalsContact O-N 3.15Å; A102-G105 PolarHBondContact O-N 3.41Å; A102-G105 VanDerWaalsContact O-N 3.1Å; M103-G105 VanDerWaalsContact C-N 3.28Å; M103-G105 PolarHBondContact O-N 3Å; G105-K108 PolarHBondContact O-N 3.1Å; G105-A109 PolarHBondContact O-N 3.42Å
106	V	84.6	Confident	79.8	Confident	88 Å²	88	94.7 Å²	94.7	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-44.9	177.4	176.6	0	0	0	0	111.4	A102 M103 K108 A109 M110	A102-V106 WeakPolarHBondContact O-CG2 3.47Å; A102-V106 PolarHBondContact O-N 3.23Å; M103-V106 CarbonylContact O-C 3.48Å; M103-V106 PolarHBondContact O-N 3.4Å; M103-V106 VanDerWaalsContact O-N 3.13Å; V106-K108 VanDerWaalsContact C-N 3.31Å; V106-K108 PolarHBondContact O-N 3.09Å; V106-A109 CarbonylContact O-C 3.36Å; V106-A109 PolarHBondContact O-N 3.18Å; V106-M110 HydrophobicContact CG1-CG 4.27Å; V106-M110 VanDerWaalsContact O-CB 3.28Å; V106-M110 WeakPolarHBondContact O-CB 3.49Å; V106-M110 WeakPolarHBondContact O-CG 3.33Å; V106-M110 PolarHBondContact O-N 2.94Å
107	T	81.9	Confident	78.3	Confident	80 Å²	80	97.4 Å²	97.4	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-35.6	176.3	-55.4	0	0	0	0	111.2	M103 A111	M103-T107 WeakPolarHBondContact O-CB 3.37Å; M103-T107 PolarHBondContact O-N 3.46Å; M103-T107 PolarHBondContact O-OG1 3.36Å; T107-A111 WeakPolarHBondContact O-CA 3.37Å; T107-A111 WeakPolarHBondContact O-CB 3.37Å; T107-A111 PolarHBondContact O-N 2.97Å
108	K	84.1	Confident	76.6	Confident	159 Å²	159	105.1 Å²	105.1	69%	0.691	56%	0.557	S	S	*	*	H	α-helix	trans	-67.7	-40.9	174.2	-165.8	174.4	-177	-178.5	0	111.4	K104 G105 V106 A111 T112	K104-K108 VanDerWaalsContact O-CB 3.3Å; K104-K108 WeakPolarHBondContact O-CB 3.5Å; K104-K108 PolarHBondContact O-N 3.43Å; G105-K108 PolarHBondContact O-N 3.1Å; V106-K108 VanDerWaalsContact C-N 3.31Å; V106-K108 PolarHBondContact O-N 3.09Å; K108-A111 PolarHBondContact O-N 3.41Å; K108-T112 PolarHBondContact O-N 2.88Å; K108-T112 PolarHBondContact O-OG1 2.56Å
109	A	80.6	Confident	75.8	Confident	62 Å²	62	107.7 Å²	107.7	51%	0.512	57%	0.565	S	S	.	*	H	α-helix	trans	-65.6	-45.9	173.2	0	0	0	0	0	111.8	G105 V106 A111 T112 M113	G105-A109 PolarHBondContact O-N 3.42Å; V106-A109 CarbonylContact O-C 3.36Å; V106-A109 PolarHBondContact O-N 3.18Å; A109-A111 PolarHBondContact O-N 3.3Å; A109-T112 WeakPolarHBondContact O-CB 3.48Å; A109-T112 PolarHBondContact O-N 3.38Å; A109-M113 WeakPolarHBondContact O-CB 3.39Å; A109-M113 PolarHBondContact O-N 3.39Å
110	M	76.6	Confident	74.7	Confident	112 Å²	112	106.6 Å²	106.6	55%	0.552	57%	0.567	S	S	*	*	H	α-helix	trans	-60.8	-40.6	173.5	-83.4	-99.4	-178.4	0	0	112.1	V106 T112 M113 N114	V106-M110 HydrophobicContact CG1-CG 4.27Å; V106-M110 VanDerWaalsContact O-CB 3.28Å; V106-M110 WeakPolarHBondContact O-CB 3.49Å; V106-M110 WeakPolarHBondContact O-CG 3.33Å; V106-M110 PolarHBondContact O-N 2.94Å; M110-T112 VanDerWaalsContact C-N 3.3Å; M110-T112 PolarHBondContact O-N 3.21Å; M110-M113 CarbonylContact O-C 3.55Å; M110-M113 PolarHBondContact O-N 2.88Å; M110-N114 WeakPolarHBondContact O-CA 3.39Å; M110-N114 WeakPolarHBondContact O-CB 3.41Å; M110-N114 PolarHBondContact O-N 3.2Å
111	A	78.3	Confident	73.6	Confident	49 Å²	49	111.5 Å²	111.5	41%	0.405	58%	0.581	S	S	.	*	H	α-helix	trans	-66.1	-36.2	175.9	0	0	0	0	0	111.2	T107 K108 A109 R115	T107-A111 WeakPolarHBondContact O-CA 3.37Å; T107-A111 WeakPolarHBondContact O-CB 3.37Å; T107-A111 PolarHBondContact O-N 2.97Å; K108-A111 PolarHBondContact O-N 3.41Å; A109-A111 PolarHBondContact O-N 3.3Å; A111-R115 WeakPolarHBondContact O-CB 3.36Å; A111-R115 PolarHBondContact O-N 2.95Å
112	T	79.5	Confident	72.5	Confident	87 Å²	87	109.5 Å²	109.5	53%	0.534	57%	0.573	S	S	.	*	H	α-helix	trans	-68.3	-39.1	174.3	-47.6	0	0	0	0	110.9	K108 A109 M110	K108-T112 PolarHBondContact O-N 2.88Å; K108-T112 PolarHBondContact O-OG1 2.56Å; A109-T112 WeakPolarHBondContact O-CB 3.48Å; A109-T112 PolarHBondContact O-N 3.38Å; M110-T112 VanDerWaalsContact C-N 3.3Å; M110-T112 PolarHBondContact O-N 3.21Å
113	M	68.2	Low	71.6	Confident	110 Å²	110	113.2 Å²	113.2	54%	0.542	58%	0.579	S	S	.	*	H	α-helix	trans	-72	-37.2	175.8	-167.3	176.6	-174.4	0	0	112.9	A109 M110 Q116 M117	A109-M113 WeakPolarHBondContact O-CB 3.39Å; A109-M113 PolarHBondContact O-N 3.39Å; M110-M113 CarbonylContact O-C 3.55Å; M110-M113 PolarHBondContact O-N 2.88Å; M113-Q116 CarbonylContact O-C 3.58Å; M113-Q116 WeakPolarHBondContact O-CA 3.44Å; M113-Q116 WeakPolarHBondContact O-CB 3.37Å; M113-Q116 PolarHBondContact O-N 2.89Å; M113-M117 PolarHBondContact O-N 3.08Å
114	N	62.1	Low	71.2	Confident	32 Å²	32	115.7 Å²	115.7	17%	0.171	59%	0.587	C	S	.	*	H	α-helix	trans	-78.2	-20	177.3	-176.5	58.6	0	0	0	112	M110 Q116 M117 L119 I122	M110-N114 WeakPolarHBondContact O-CA 3.39Å; M110-N114 WeakPolarHBondContact O-CB 3.41Å; M110-N114 PolarHBondContact O-N 3.2Å; N114-Q116 PolarHBondContact O-N 2.99Å; N114-M117 CarbonylContact C-O 3.37Å; N114-M117 WeakPolarHBondContact CA-O 3.2Å; N114-M117 CarbonylContact O-C 3.6Å; N114-M117 PolarHBondContact O-N 3.42Å; N114-M117 PolarHBondContact OD1-O 3.45Å; N114-L119 WeakPolarHBondContact ND2-CD1 3.49Å; N114-L119 WeakPolarHBondContact ND2-CG 3.29Å; N114-I122 HydrophobicContact CB-CD1 4.12Å; N114-I122 WeakPolarHBondContact ND2-CD1 3.47Å
115	R	67.4	Low	70.5	Confident	231 Å²	231	114.3 Å²	114.3	87%	0.872	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-20.1	162.4	-159.1	172.2	-169.1	167.9	2.7	111.6	A111	A111-R115 WeakPolarHBondContact O-CB 3.36Å; A111-R115 PolarHBondContact O-N 2.95Å
116	Q	61.8	Low	69.6	Low	164 Å²	164	118.2 Å²	118.2	77%	0.766	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-14.9	175.4	-63	177	-12.3	0	0	113.3	M113 N114	M113-Q116 CarbonylContact O-C 3.58Å; M113-Q116 WeakPolarHBondContact O-CA 3.44Å; M113-Q116 WeakPolarHBondContact O-CB 3.37Å; M113-Q116 PolarHBondContact O-N 2.89Å; N114-Q116 PolarHBondContact O-N 2.99Å
117	M	54.2	Low	69.3	Low	130 Å²	130	120.1 Å²	120.1	64%	0.64	60%	0.598	S	S	*	*	S	Bend	trans	-132.9	128.4	175.6	-74.6	-166.8	-169.2	0	0	112	M113 N114	M113-M117 PolarHBondContact O-N 3.08Å; N114-M117 CarbonylContact C-O 3.37Å; N114-M117 WeakPolarHBondContact CA-O 3.2Å; N114-M117 CarbonylContact O-C 3.6Å; N114-M117 PolarHBondContact O-N 3.42Å; N114-M117 PolarHBondContact OD1-O 3.45Å
118	K	50.6	Low	69	Low	206 Å²	206	120.9 Å²	120.9	90%	0.896	60%	0.596	S	S	*	*			trans	-59	159.9	-169.9	-65.9	-173.5	177.5	-177.9	0	115.7	P120	K118-P120 WeakPolarHBondContact O-CD 3.48Å
119	L	66.8	Low	68.7	Low	114 Å²	114	119.6 Å²	119.6	60%	0.597	59%	0.59	S	S	*	*	S	Bend	trans	-111.6	51.2	-137.8	-141.2	105.6	0	0	0	119.5	N114	N114-L119 WeakPolarHBondContact ND2-CD1 3.49Å; N114-L119 WeakPolarHBondContact ND2-CG 3.29Å
120	P	63	Low	68.4	Low	97 Å²	97	123.1 Å²	123.1	63%	0.63	60%	0.596	S	S	*	*	S	Bend	trans	-95.9	-22	172.4	-8	26.7	0	0	0	116.2	K118	K118-P120 WeakPolarHBondContact O-CD 3.48Å
121	Q	61.7	Low	68.7	Low	158 Å²	158	125.1 Å²	125.1	74%	0.738	60%	0.598	S	S	*	*	H	α-helix	trans	-87.6	-22.5	-163.4	-65.8	170.5	-2.9	0	0	114.6	K124	Q121-K124 PolarHBondContact O-N 3.44Å
122	I	62.7	Low	68.4	Low	61 Å²	61	127.7 Å²	127.7	31%	0.313	60%	0.601	S	S	.	*	H	α-helix	trans	-70.6	-35.2	-178.6	-65.8	-165.7	0	0	0	112.7	N114 K124 I125 M126	N114-I122 HydrophobicContact CB-CD1 4.12Å; N114-I122 WeakPolarHBondContact ND2-CD1 3.47Å; I122-K124 PolarHBondContact O-N 3.23Å; I122-I125 PolarHBondContact O-N 3.44Å; I122-M126 PolarHBondContact O-N 2.91Å
123	Q	65.7	Low	68.2	Low	139 Å²	139	125.6 Å²	125.6	65%	0.65	59%	0.59	S	S	*	*	H	α-helix	trans	-62	-34.3	177.6	-76.8	177.9	-13.7	0	0	112	M127	Q123-M127 PolarHBondContact O-N 3.22Å
124	K	74.3	Confident	68.7	Low	161 Å²	161	127.3 Å²	127.3	70%	0.7	60%	0.597	S	S	*	*	H	α-helix	trans	-69.7	-34.8	179.5	-147.2	175.7	-173.6	-179.4	0	112.4	Q121 I122 E128	Q121-K124 PolarHBondContact O-N 3.44Å; I122-K124 PolarHBondContact O-N 3.23Å; K124-E128 WeakPolarHBondContact O-CB 3.06Å; K124-E128 PolarHBondContact O-N 3.44Å
125	I	69.3	Low	69.4	Low	115 Å²	115	128.3 Å²	128.3	59%	0.59	60%	0.602	S	S	*	*	H	α-helix	trans	-72.4	-39.3	179.4	-63.9	170.7	0	0	0	111.2	I122 E128 F129	I122-I125 PolarHBondContact O-N 3.44Å; I125-E128 PolarHBondContact O-N 3.1Å; I125-F129 WeakPolarHBondContact O-CB 3.46Å; I125-F129 PolarHBondContact O-N 2.85Å
126	M	69.4	Low	69.9	Low	127 Å²	127	122.8 Å²	122.8	63%	0.626	59%	0.587	S	S	*	*	H	α-helix	trans	-62.6	-44.8	174.3	-77.4	-85.5	-163.2	0	0	111.4	I122 E128 F129 E130	I122-M126 PolarHBondContact O-N 2.91Å; M126-E128 PolarHBondContact O-N 3.01Å; M126-F129 PolarHBondContact O-N 3.49Å; M126-E130 PolarHBondContact O-N 3.11Å
127	M	77.4	Confident	70.6	Confident	129 Å²	129	119.9 Å²	119.9	64%	0.635	58%	0.577	S	S	*	*	H	α-helix	trans	-64.4	-39.5	179	-129.9	178.5	-75.8	0	0	112.3	Q123 R131	Q123-M127 PolarHBondContact O-N 3.22Å; M127-R131 WeakPolarHBondContact O-CB 3.31Å; M127-R131 PolarHBondContact O-N 2.86Å; M127-R131 VanDerWaalsContact O-N 3.15Å
128	E	76.4	Confident	71.7	Confident	96 Å²	96	118.7 Å²	118.7	45%	0.449	57%	0.571	S	S	.	*	H	α-helix	trans	-69.9	-34.3	176.8	-162.9	67.5	-141.5	0	0	111.9	K124 I125 M126 Q132	K124-E128 WeakPolarHBondContact O-CB 3.06Å; K124-E128 PolarHBondContact O-N 3.44Å; I125-E128 PolarHBondContact O-N 3.1Å; M126-E128 PolarHBondContact O-N 3.01Å; E128-Q132 WeakPolarHBondContact O-CB 3.43Å; E128-Q132 WeakPolarHBondContact O-CG 3.33Å; E128-Q132 PolarHBondContact O-N 3.29Å
129	F	76.8	Confident	72.6	Confident	132 Å²	132	115.2 Å²	115.2	58%	0.579	56%	0.556	S	S	*	*	H	α-helix	trans	-68	-43.3	176.6	179.2	-95	0	0	0	112.6	I125 M126 Q132 S133	I125-F129 WeakPolarHBondContact O-CB 3.46Å; I125-F129 PolarHBondContact O-N 2.85Å; M126-F129 PolarHBondContact O-N 3.49Å; F129-Q132 PolarHBondContact O-N 3.21Å; F129-S133 PolarHBondContact O-N 2.92Å; F129-S133 PolarHBondContact O-OG 3.43Å
130	E	75	Confident	72.9	Confident	136 Å²	136	113.4 Å²	113.4	64%	0.636	54%	0.544	S	S	*	.	H	α-helix	trans	-59.6	-47.8	174	-81.2	177.3	164.9	0	0	110.6	M126 Q132 S133 E134	M126-E130 PolarHBondContact O-N 3.11Å; E130-Q132 VanDerWaalsContact C-N 3.32Å; E130-Q132 PolarHBondContact O-N 3.3Å; E130-S133 PolarHBondContact O-N 3.31Å; E130-E134 WeakPolarHBondContact O-CB 3.31Å; E130-E134 PolarHBondContact O-N 3.49Å
131	R	81.5	Confident	73.4	Confident	154 Å²	154	115.1 Å²	115.1	58%	0.581	54%	0.544	S	S	*	.	H	α-helix	trans	-58.9	-40.7	177.2	-175.2	-176.8	168.6	85.4	3.4	112.9	M127 I135	M127-R131 WeakPolarHBondContact O-CB 3.31Å; M127-R131 PolarHBondContact O-N 2.86Å; M127-R131 VanDerWaalsContact O-N 3.15Å; R131-I135 HydrophobicContact CG-CD1 4.26Å; R131-I135 WeakPolarHBondContact O-CD1 3.29Å; R131-I135 VanDerWaalsContact O-CG1 3.26Å; R131-I135 WeakPolarHBondContact O-CG1 3.4Å; R131-I135 PolarHBondContact O-N 3.41Å
132	Q	73.2	Confident	73.9	Confident	103 Å²	103	113 Å²	113	48%	0.481	54%	0.535	S	S	.	.	H	α-helix	trans	-74.8	-33.8	179.9	-70.5	-73.4	-27.8	0	0	112.8	E128 F129 E130 M136	E128-Q132 WeakPolarHBondContact O-CB 3.43Å; E128-Q132 WeakPolarHBondContact O-CG 3.33Å; E128-Q132 PolarHBondContact O-N 3.29Å; F129-Q132 PolarHBondContact O-N 3.21Å; E130-Q132 VanDerWaalsContact C-N 3.32Å; E130-Q132 PolarHBondContact O-N 3.3Å; Q132-M136 PolarHBondContact O-N 3.45Å
133	S	75.1	Confident	74.4	Confident	43 Å²	43	116 Å²	116	30%	0.301	55%	0.55	S	S	.	.	H	α-helix	trans	-65.3	-44	172.7	-73.8	0	0	0	0	111.3	F129 E130 I135 M136 D137	F129-S133 PolarHBondContact O-N 2.92Å; F129-S133 PolarHBondContact O-OG 3.43Å; E130-S133 PolarHBondContact O-N 3.31Å; S133-I135 VanDerWaalsContact C-N 3.32Å; S133-I135 PolarHBondContact O-N 3.26Å; S133-M136 WeakPolarHBondContact O-CA 3.44Å; S133-M136 WeakPolarHBondContact O-CB 3.48Å; S133-M136 PolarHBondContact O-N 3.37Å; S133-D137 PolarHBondContact O-N 3.22Å
134	E	78.6	Confident	74.5	Confident	145 Å²	145	113.5 Å²	113.5	68%	0.678	54%	0.541	S	S	*	.	H	α-helix	trans	-63.3	-38.2	-179.7	-149.2	173.2	-151.9	0	0	111.9	E130 M136 D137 M138	E130-E134 WeakPolarHBondContact O-CB 3.31Å; E130-E134 PolarHBondContact O-N 3.49Å; E134-M136 VanDerWaalsContact C-N 3.29Å; E134-M136 PolarHBondContact O-N 3.14Å; E134-D137 PolarHBondContact O-N 2.97Å; E134-M138 WeakPolarHBondContact O-CB 3.35Å; E134-M138 PolarHBondContact O-N 3.21Å; E134-M138 VanDerWaalsContact O-N 3.11Å
135	I	77.4	Confident	74.3	Confident	54 Å²	54	111 Å²	111	28%	0.277	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-32.9	172.5	-69.8	167.1	0	0	0	111.8	R131 S133 K139	R131-I135 HydrophobicContact CG-CD1 4.26Å; R131-I135 WeakPolarHBondContact O-CD1 3.29Å; R131-I135 VanDerWaalsContact O-CG1 3.26Å; R131-I135 WeakPolarHBondContact O-CG1 3.4Å; R131-I135 PolarHBondContact O-N 3.41Å; S133-I135 VanDerWaalsContact C-N 3.32Å; S133-I135 PolarHBondContact O-N 3.26Å; I135-K139 HydrophobicContact CG2-CD 4.49Å; I135-K139 WeakPolarHBondContact O-CG 3.46Å; I135-K139 PolarHBondContact O-N 2.95Å
136	M	76.6	Confident	73.9	Confident	114 Å²	114	108.5 Å²	108.5	56%	0.562	53%	0.531	S	S	*	.	H	α-helix	trans	-72.4	-44.8	178.7	-167.6	-177.2	-64.6	0	0	111.1	Q132 S133 E134 M138 K139 E140	Q132-M136 PolarHBondContact O-N 3.45Å; S133-M136 WeakPolarHBondContact O-CA 3.44Å; S133-M136 WeakPolarHBondContact O-CB 3.48Å; S133-M136 PolarHBondContact O-N 3.37Å; E134-M136 VanDerWaalsContact C-N 3.29Å; E134-M136 PolarHBondContact O-N 3.14Å; M136-M138 PolarHBondContact O-N 3.41Å; M136-K139 PolarHBondContact O-N 2.99Å; M136-E140 PolarHBondContact O-N 3.1Å
137	D	77.3	Confident	73.4	Confident	103 Å²	103	106.2 Å²	106.2	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-62	-43.5	178.2	-72.7	-15.1	0	0	0	111.2	S133 E134 K139 E140 E141	S133-D137 PolarHBondContact O-N 3.22Å; E134-D137 PolarHBondContact O-N 2.97Å; D137-K139 VanDerWaalsContact C-N 3.29Å; D137-K139 PolarHBondContact O-N 3.16Å; D137-E140 WeakPolarHBondContact O-CB 3.5Å; D137-E140 PolarHBondContact O-N 3.37Å; D137-E140 VanDerWaalsContact O-N 3.1Å; D137-E141 PolarHBondContact O-N 3.42Å
138	M	76.4	Confident	72.6	Confident	105 Å²	105	106.1 Å²	106.1	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-32.6	176.5	-168.1	-177.7	67.7	0	0	112.9	E134 M136 M142	E134-M138 WeakPolarHBondContact O-CB 3.35Å; E134-M138 PolarHBondContact O-N 3.21Å; E134-M138 VanDerWaalsContact O-N 3.11Å; M136-M138 PolarHBondContact O-N 3.41Å; M138-M142 HydrophobicContact CE-CE 4.48Å; M138-M142 WeakPolarHBondContact O-CG 3.44Å; M138-M142 PolarHBondContact O-N 3.36Å; M138-M142 VanDerWaalsContact O-N 3.15Å
139	K	71.1	Confident	71.9	Confident	134 Å²	134	108.6 Å²	108.6	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-71.8	-31.6	174.3	-79.1	179.3	179.2	-176	0	112.5	I135 M136 D137 M142 M143	I135-K139 HydrophobicContact CG2-CD 4.49Å; I135-K139 WeakPolarHBondContact O-CG 3.46Å; I135-K139 PolarHBondContact O-N 2.95Å; M136-K139 PolarHBondContact O-N 2.99Å; D137-K139 VanDerWaalsContact C-N 3.29Å; D137-K139 PolarHBondContact O-N 3.16Å; K139-M142 HydrophobicContact CG-CE 4.47Å; K139-M143 VanDerWaalsContact O-CB 3.29Å; K139-M143 WeakPolarHBondContact O-CB 3.3Å; K139-M143 PolarHBondContact O-N 3.2Å; K139-M143 VanDerWaalsContact O-N 3.1Å
140	E	72.4	Confident	70.9	Confident	76 Å²	76	106.4 Å²	106.4	36%	0.355	55%	0.545	S	S	.	.	H	α-helix	trans	-72.1	-38.3	177.1	-162.3	173.3	154.2	0	0	111.4	K89 M136 D137 M143 N144	K89-E140 WeakPolarHBondContact CE-OE1 3.47Å; K89-E140 IonicContact NZ-OE1 3.74Å; K89-E140 PolarHBondContact NZ-OE1 2.96Å; M136-E140 PolarHBondContact O-N 3.1Å; D137-E140 WeakPolarHBondContact O-CB 3.5Å; D137-E140 PolarHBondContact O-N 3.37Å; D137-E140 VanDerWaalsContact O-N 3.1Å; E140-M143 PolarHBondContact O-N 2.83Å; E140-N144 PolarHBondContact O-N 3.01Å; E140-N144 PolarHBondContact O-ND2 3.42Å
141	E	73.6	Confident	69.9	Low	132 Å²	132	103.7 Å²	103.7	62%	0.617	53%	0.534	S	S	*	.	H	α-helix	trans	-64.5	-49.3	174.4	-160.9	169.6	-158.1	0	0	111.4	D137 M143 N144 D145	D137-E141 PolarHBondContact O-N 3.42Å; E141-M143 PolarHBondContact O-N 3.16Å; E141-N144 PolarHBondContact O-N 3.33Å; E141-N144 VanDerWaalsContact O-N 3.16Å; E141-D145 PolarHBondContact O-N 3.42Å
142	M	71.1	Confident	68.3	Low	113 Å²	113	98.9 Å²	98.9	56%	0.557	53%	0.533	S	S	*	.	H	α-helix	trans	-62.2	-29.9	175	-72.1	-167.2	-66.4	0	0	113.6	M138 K139 A146	M138-M142 HydrophobicContact CE-CE 4.48Å; M138-M142 WeakPolarHBondContact O-CG 3.44Å; M138-M142 PolarHBondContact O-N 3.36Å; M138-M142 VanDerWaalsContact O-N 3.15Å; K139-M142 HydrophobicContact CG-CE 4.47Å; M142-A146 WeakPolarHBondContact O-CB 3.47Å; M142-A146 PolarHBondContact O-N 3.2Å
143	M	73.1	Confident	67.7	Low	126 Å²	126	102.1 Å²	102.1	62%	0.621	55%	0.553	S	S	*	*	H	α-helix	trans	-77.1	-34.7	177	-175.7	163.8	176.6	0	0	112.1	K139 E140 E141 I147	K139-M143 VanDerWaalsContact O-CB 3.29Å; K139-M143 WeakPolarHBondContact O-CB 3.3Å; K139-M143 PolarHBondContact O-N 3.2Å; K139-M143 VanDerWaalsContact O-N 3.1Å; E140-M143 PolarHBondContact O-N 2.83Å; E141-M143 PolarHBondContact O-N 3.16Å; M143-I147 HydrophobicContact CE-CD1 4.18Å; M143-I147 HydrophobicContact CG-CD1 4.03Å; M143-I147 WeakPolarHBondContact O-CD1 3.12Å; M143-I147 WeakPolarHBondContact O-CG1 3.36Å; M143-I147 PolarHBondContact O-N 3.41Å; M143-I147 VanDerWaalsContact O-N 3.16Å
144	N	69.3	Low	66.2	Low	86 Å²	86	108.1 Å²	108.1	46%	0.46	58%	0.576	S	S	.	*	H	α-helix	trans	-68.9	-42.4	173.7	-74.5	-36.6	0	0	0	111.2	E140 E141 A146 I147 D148	E140-N144 PolarHBondContact O-N 3.01Å; E140-N144 PolarHBondContact O-ND2 3.42Å; E141-N144 PolarHBondContact O-N 3.33Å; E141-N144 VanDerWaalsContact O-N 3.16Å; N144-A146 VanDerWaalsContact C-N 3.33Å; N144-A146 PolarHBondContact O-N 2.82Å; N144-I147 PolarHBondContact O-N 3.15Å; N144-I147 VanDerWaalsContact O-N 3.1Å; N144-D148 PolarHBondContact O-N 2.9Å
145	D	69.3	Low	64.8	Low	108 Å²	108	107.2 Å²	107.2	58%	0.578	58%	0.576	S	S	*	*	H	α-helix	trans	-61.2	-40.7	176.2	-79.3	-4.2	0	0	0	111.8	E141 I147 D148 D149	E141-D145 PolarHBondContact O-N 3.42Å; D145-I147 VanDerWaalsContact C-N 3.29Å; D145-I147 PolarHBondContact O-N 2.88Å; D145-D148 PolarHBondContact O-N 3.47Å; D145-D149 VanDerWaalsContact O-CB 3.31Å; D145-D149 WeakPolarHBondContact O-CB 3.44Å; D145-D149 PolarHBondContact O-N 2.79Å
146	A	61.4	Low	63.5	Low	63 Å²	63	109 Å²	109	52%	0.521	59%	0.586	S	S	.	*	H	α-helix	trans	-69.7	-24.6	176	0	0	0	0	0	113.7	M142 N144 A150	M142-A146 WeakPolarHBondContact O-CB 3.47Å; M142-A146 PolarHBondContact O-N 3.2Å; N144-A146 VanDerWaalsContact C-N 3.33Å; N144-A146 PolarHBondContact O-N 2.82Å; A146-A150 VanDerWaalsContact O-CB 3.29Å; A146-A150 WeakPolarHBondContact O-CB 3.49Å; A146-A150 PolarHBondContact O-N 2.99Å
147	I	58.6	Low	62.3	Low	79 Å²	79	112.2 Å²	112.2	41%	0.405	60%	0.6	S	S	.	*	H	α-helix	trans	-81	-37.9	175.1	-71.7	167.9	0	0	0	110.4	M143 N144 D145 A150 M151	M143-I147 HydrophobicContact CE-CD1 4.18Å; M143-I147 HydrophobicContact CG-CD1 4.03Å; M143-I147 WeakPolarHBondContact O-CD1 3.12Å; M143-I147 WeakPolarHBondContact O-CG1 3.36Å; M143-I147 PolarHBondContact O-N 3.41Å; M143-I147 VanDerWaalsContact O-N 3.16Å; N144-I147 PolarHBondContact O-N 3.15Å; N144-I147 VanDerWaalsContact O-N 3.1Å; D145-I147 VanDerWaalsContact C-N 3.29Å; D145-I147 PolarHBondContact O-N 2.88Å; I147-A150 PolarHBondContact O-N 3.31Å; I147-M151 HydrophobicContact CG2-SD 4.45Å; I147-M151 WeakPolarHBondContact O-CB 3.34Å; I147-M151 WeakPolarHBondContact O-CG 3.5Å; I147-M151 PolarHBondContact O-N 3.26Å
148	D	60.1	Low	61.1	Low	126 Å²	126	116.9 Å²	116.9	67%	0.674	62%	0.618	S	S	*	*	H	α-helix	trans	-67.7	-41.1	176	-122	17.2	0	0	0	111.2	N144 D145 A150 M151 G152	N144-D148 PolarHBondContact O-N 2.9Å; D145-D148 PolarHBondContact O-N 3.47Å; D148-A150 VanDerWaalsContact C-N 3.31Å; D148-A150 PolarHBondContact O-N 3.34Å; D148-M151 CarbonylContact O-C 3.6Å; D148-M151 PolarHBondContact O-N 3.48Å; D148-G152 PolarHBondContact O-N 3.15Å; D148-G152 VanDerWaalsContact O-N 3.08Å
149	D	62.6	Low	60	Low	148 Å²	148	117.2 Å²	117.2	79%	0.791	62%	0.619	S	S	*	*	H	α-helix	trans	-68.8	-28.4	176.8	-152.9	40.2	0	0	0	112.3	D145	D145-D149 VanDerWaalsContact O-CB 3.31Å; D145-D149 WeakPolarHBondContact O-CB 3.44Å; D145-D149 PolarHBondContact O-N 2.79Å
150	A	56.3	Low	59.5	Low	86 Å²	86	113.1 Å²	113.1	71%	0.711	61%	0.607	S	S	*	*	H	α-helix	trans	-85.9	-14.5	173.9	0	0	0	0	0	114	A146 I147 D148	A146-A150 VanDerWaalsContact O-CB 3.29Å; A146-A150 WeakPolarHBondContact O-CB 3.49Å; A146-A150 PolarHBondContact O-N 2.99Å; I147-A150 PolarHBondContact O-N 3.31Å; D148-A150 VanDerWaalsContact C-N 3.31Å; D148-A150 PolarHBondContact O-N 3.34Å
151	M	52.3	Low	59.1	Low	79 Å²	79	113 Å²	113	39%	0.389	61%	0.609	S	S	.	*	S	Bend	trans	-104.2	8.8	175	-75.7	-162.1	76.2	0	0	112.8	M78 I147 D148 D153	M78-M151 HydrophobicContact CE-CE 3.78Å; M78-M151 HydrophobicContact CG-CE 3.77Å; M78-M151 HydrophobicContact SD-CE 3.2Å; M78-M151 WeakPolarHBondContact SD-CE 3.5Å; I147-M151 HydrophobicContact CG2-SD 4.45Å; I147-M151 WeakPolarHBondContact O-CB 3.34Å; I147-M151 WeakPolarHBondContact O-CG 3.5Å; I147-M151 PolarHBondContact O-N 3.26Å; D148-M151 CarbonylContact O-C 3.6Å; D148-M151 PolarHBondContact O-N 3.48Å; M151-D153 PolarHBondContact O-N 3.44Å
152	G	48.1	Very low	59	Low	54 Å²	54	110 Å²	110	56%	0.557	61%	0.606	S	S	*	*			trans	-45.1	110.9	170.4	0	0	0	0	0	110.9	D148 E154	D148-G152 PolarHBondContact O-N 3.15Å; D148-G152 VanDerWaalsContact O-N 3.08Å; G152-E154 PolarHBondContact O-N 3.38Å
153	D	60.4	Low	58.8	Low	171 Å²	171	106.3 Å²	106.3	91%	0.914	59%	0.59	S	S	*	*			trans	-72.3	86.9	-176.1	-151.7	19.7	0	0	0	107.8	M151	M151-D153 PolarHBondContact O-N 3.44Å
154	E	44.9	Very low	58.7	Low	168 Å²	168	100.5 Å²	100.5	79%	0.785	56%	0.562	S	S	*	*			trans	-111.6	122.8	168.5	-76.2	-174.4	170.7	0	0	109.9	G152	G152-E154 PolarHBondContact O-N 3.38Å
155	D	48.6	Very low	59	Low	127 Å²	127	99.5 Å²	99.5	68%	0.679	56%	0.562	S	S	*	*			trans	73.9	106.1	158.4	-56.3	-28.4	0	0	0	118.1
156	D	50.6	Low	59.3	Low	91 Å²	91	99.6 Å²	99.6	49%	0.487	56%	0.559	S	S	.	*	S	Bend	trans	-159.5	21.1	157.1	-115.6	-9.5	0	0	0	116	H71	H71-D156 IonicContact CE1-OD2 3.79Å; H71-D156 PolarHBondContact CE1-OD2 2.89Å; H71-D156 IonicContact ND1-OD2 2.56Å; H71-D156 PolarHBondContact ND1-OD2 3.35Å
157	E	50.4	Low	60	Low	182 Å²	182	96.7 Å²	96.7	85%	0.85	54%	0.535	S	S	*	.	S	Bend	trans	-109.5	-35.6	172.4	-71.4	-165	167.7	0	0	114.5	S160	E157-S160 PolarHBondContact O-OG 3.07Å
158	E	52	Low	61	Low	200 Å²	200	94.9 Å²	94.9	94%	0.935	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-17.9	-177.7	-75	-171	162.7	0	0	115	S160	E158-S160 PolarHBondContact O-N 2.99Å
159	E	53.7	Low	62	Low	112 Å²	112	92.5 Å²	92.5	52%	0.523	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.2	179.8	-69.7	-164.6	146.6	0	0	114.8	D161 A162 V163	E159-D161 VanDerWaalsContact C-N 3.32Å; E159-D161 PolarHBondContact O-N 2.96Å; E159-D161 VanDerWaalsContact O-N 3.13Å; E159-A162 PolarHBondContact O-N 3.49Å; E159-A162 VanDerWaalsContact O-N 3.1Å; E159-V163 HydrophobicContact CB-CG2 4.14Å; E159-V163 VanDerWaalsContact O-CG2 3.3Å; E159-V163 WeakPolarHBondContact O-CG2 3.42Å; E159-V163 PolarHBondContact O-N 3.39Å
160	S	59.9	Low	62.7	Low	49 Å²	49	90.6 Å²	90.6	34%	0.343	50%	0.499	S	S	.	.	H	α-helix	trans	-59.5	-33.2	-167.1	61.3	0	0	0	0	115.3	E157 E158 V164	E157-S160 PolarHBondContact O-OG 3.07Å; E158-S160 PolarHBondContact O-N 2.99Å; S160-V164 WeakPolarHBondContact O-CG2 3.21Å; S160-V164 PolarHBondContact O-N 3.11Å; S160-V164 VanDerWaalsContact O-N 3.12Å
161	D	64.5	Low	63.6	Low	72 Å²	72	87.8 Å²	87.8	39%	0.385	47%	0.472	S	S	.	.	H	α-helix	trans	-80.1	-31.8	179.1	-95.5	30.6	0	0	0	112.3	K60 K64 E159 V164 S165	K60-D161 IonicContact NZ-OD2 3.12Å; K60-D161 PolarHBondContact NZ-OD2 3.48Å; K64-D161 WeakPolarHBondContact CE-OD1 3.36Å; K64-D161 IonicContact NZ-OD1 3.7Å; K64-D161 PolarHBondContact NZ-OD1 3.27Å; E159-D161 VanDerWaalsContact C-N 3.32Å; E159-D161 PolarHBondContact O-N 2.96Å; E159-D161 VanDerWaalsContact O-N 3.13Å; D161-V164 PolarHBondContact O-N 3.15Å; D161-S165 PolarHBondContact O-N 3.05Å
162	A	70.9	Confident	64.3	Low	69 Å²	69	86.7 Å²	86.7	57%	0.57	48%	0.481	S	S	*	.	H	α-helix	trans	-69.2	-43	172.9	0	0	0	0	0	111	E159 V164 S165 Q166	E159-A162 PolarHBondContact O-N 3.49Å; E159-A162 VanDerWaalsContact O-N 3.1Å; A162-V164 VanDerWaalsContact C-N 3.28Å; A162-V164 PolarHBondContact O-N 3.24Å; A162-S165 WeakPolarHBondContact O-CB 3.34Å; A162-S165 PolarHBondContact O-N 3.18Å; A162-S165 VanDerWaalsContact O-N 3.12Å; A162-Q166 PolarHBondContact O-N 3.1Å
163	V	67.6	Low	65.3	Low	36 Å²	36	86.6 Å²	86.6	22%	0.218	47%	0.468	C	S	.	.	H	α-helix	trans	-62.3	-37.1	175.8	177.5	0	0	0	0	110.9	V67 E159 Q166 V167	V67-V163 HydrophobicContact CG1-CG1 4.02Å; V67-V163 HydrophobicContact CG2-CG1 3.66Å; E159-V163 HydrophobicContact CB-CG2 4.14Å; E159-V163 VanDerWaalsContact O-CG2 3.3Å; E159-V163 WeakPolarHBondContact O-CG2 3.42Å; E159-V163 PolarHBondContact O-N 3.39Å; V163-Q166 PolarHBondContact O-N 3.33Å; V163-V167 HydrophobicContact CG1-CG2 4.43Å; V163-V167 WeakPolarHBondContact O-CB 3.43Å; V163-V167 VanDerWaalsContact O-CG2 3.23Å; V163-V167 WeakPolarHBondContact O-CG2 3.43Å; V163-V167 PolarHBondContact O-N 3.03Å
164	V	71.8	Confident	65.3	Low	5 Å²	5	82.5 Å²	82.5	3%	0.03	45%	0.445	C	S	.	.	H	α-helix	trans	-62.6	-44	173.4	164.4	0	0	0	0	111.5	K60 A63 K64 V67 S160 D161 A162 V167 L168	K60-V164 HydrophobicContact CG-CG1 4.39Å; A63-V164 HydrophobicContact CB-CB 4.38Å; A63-V164 HydrophobicContact CB-CG1 3.65Å; A63-V164 HydrophobicContact CB-CG2 4.08Å; K64-V164 HydrophobicContact CG-CG2 3.83Å; V67-V164 HydrophobicContact CG2-CG2 4.39Å; S160-V164 WeakPolarHBondContact O-CG2 3.21Å; S160-V164 PolarHBondContact O-N 3.11Å; S160-V164 VanDerWaalsContact O-N 3.12Å; D161-V164 PolarHBondContact O-N 3.15Å; A162-V164 VanDerWaalsContact C-N 3.28Å; A162-V164 PolarHBondContact O-N 3.24Å; V164-V167 PolarHBondContact O-N 2.97Å; V164-L168 HydrophobicContact CG1-CD1 4.31Å; V164-L168 WeakPolarHBondContact O-CG 3.26Å; V164-L168 PolarHBondContact O-N 3.38Å; V164-L168 VanDerWaalsContact O-N 3.07Å
165	S	74.6	Confident	65.6	Low	65 Å²	65	80.5 Å²	80.5	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-60.6	-47.5	176	-164.8	0	0	0	0	111.3	D161 A162 V167 L168 D169	D161-S165 PolarHBondContact O-N 3.05Å; A162-S165 WeakPolarHBondContact O-CB 3.34Å; A162-S165 PolarHBondContact O-N 3.18Å; A162-S165 VanDerWaalsContact O-N 3.12Å; S165-V167 VanDerWaalsContact C-N 3.31Å; S165-V167 PolarHBondContact O-N 3.49Å; S165-L168 WeakPolarHBondContact O-CB 2.95Å; S165-L168 PolarHBondContact O-N 2.99Å; S165-L168 VanDerWaalsContact O-N 3.09Å; S165-D169 PolarHBondContact O-N 3.43Å
166	Q	76.8	Confident	65.7	Low	109 Å²	109	78.2 Å²	78.2	51%	0.509	43%	0.433	S	S	.	.	H	α-helix	trans	-59.5	-40.2	177.1	-178.3	-178.1	-9.2	0	0	112.3	A162 V163 L168 D169 E170	A162-Q166 PolarHBondContact O-N 3.1Å; V163-Q166 PolarHBondContact O-N 3.33Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 3.29Å; Q166-D169 WeakPolarHBondContact O-CB 3.43Å; Q166-D169 PolarHBondContact O-N 2.7Å; Q166-E170 PolarHBondContact NE2-OE1 3.1Å; Q166-E170 WeakPolarHBondContact O-CB 3.44Å; Q166-E170 WeakPolarHBondContact O-CG 3.4Å; Q166-E170 PolarHBondContact O-N 3.26Å
167	V	76.1	Confident	65.9	Low	3 Å²	3	79.4 Å²	79.4	2%	0.018	44%	0.44	C	S	.	.	H	α-helix	trans	-63.5	-39.2	175.9	161.9	0	0	0	0	111.4	L66 V67 V163 V164 S165 D169 E170 L171	L66-V167 HydrophobicContact CD2-CG1 3.62Å; V67-V167 HydrophobicContact CG2-CG2 4.23Å; V163-V167 HydrophobicContact CG1-CG2 4.43Å; V163-V167 WeakPolarHBondContact O-CB 3.43Å; V163-V167 VanDerWaalsContact O-CG2 3.23Å; V163-V167 WeakPolarHBondContact O-CG2 3.43Å; V163-V167 PolarHBondContact O-N 3.03Å; V164-V167 PolarHBondContact O-N 2.97Å; S165-V167 VanDerWaalsContact C-N 3.31Å; S165-V167 PolarHBondContact O-N 3.49Å; V167-D169 VanDerWaalsContact C-N 3.32Å; V167-E170 PolarHBondContact O-N 3.43Å; V167-L171 HydrophobicContact CG1-CD1 3.95Å; V167-L171 HydrophobicContact CG1-CG 4.47Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 WeakPolarHBondContact O-CG 3.47Å; V167-L171 PolarHBondContact O-N 3.21Å
168	L	78.4	Confident	66	Low	41 Å²	41	77.1 Å²	77.1	22%	0.215	43%	0.429	C	S	.	.	H	α-helix	trans	-67.2	-36.6	176.6	-65	173.8	0	0	0	111.6	I47 V59 V164 S165 Q166 L171 G172 L173	I47-L168 HydrophobicContact CG2-CD2 4.29Å; V59-L168 HydrophobicContact CG1-CD1 4.32Å; V59-L168 HydrophobicContact CG1-CD2 3.37Å; V59-L168 HydrophobicContact CG1-CG 4.49Å; V164-L168 HydrophobicContact CG1-CD1 4.31Å; V164-L168 WeakPolarHBondContact O-CG 3.26Å; V164-L168 PolarHBondContact O-N 3.38Å; V164-L168 VanDerWaalsContact O-N 3.07Å; S165-L168 WeakPolarHBondContact O-CB 2.95Å; S165-L168 PolarHBondContact O-N 2.99Å; S165-L168 VanDerWaalsContact O-N 3.09Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 3.29Å; L168-L171 PolarHBondContact O-N 3.32Å; L168-G172 PolarHBondContact O-N 3.43Å; L168-L173 HydrophobicContact CD2-CD1 3.94Å; L168-L173 PolarHBondContact O-N 3.26Å; L168-L173 VanDerWaalsContact O-N 3.12Å
169	D	81.8	Confident	66	Low	76 Å²	76	74.3 Å²	74.3	41%	0.406	42%	0.42	S	S	.	.	H	α-helix	trans	-64.5	-47.9	172.4	-65.3	-33.9	0	0	0	111.8	S165 Q166 V167 L171 G172 N174	S165-D169 PolarHBondContact O-N 3.43Å; Q166-D169 WeakPolarHBondContact O-CB 3.43Å; Q166-D169 PolarHBondContact O-N 2.7Å; V167-D169 VanDerWaalsContact C-N 3.32Å; D169-L171 PolarHBondContact O-N 3.1Å; D169-G172 PolarHBondContact O-N 3.33Å; D169-N174 VanDerWaalsContact OD1-CG 3.29Å; D169-N174 PolarHBondContact OD1-ND2 3.13Å; D169-N174 PolarHBondContact OD1-OD1 2.98Å; D169-N174 VanDerWaalsContact OD1-OD1 3.13Å
170	E	76.8	Confident	66	Low	108 Å²	108	73.5 Å²	73.5	51%	0.505	43%	0.427	S	S	.	.	H	α-helix	trans	-56.6	-37.5	174.9	-78.9	176.9	-170.4	0	0	112.1	R70 Q166 V167 G172	R70-E170 IonicContact CZ-OE2 3.39Å; R70-E170 IonicContact NH1-OE2 3.79Å; R70-E170 PolarHBondContact NH1-OE2 3.49Å; R70-E170 VanDerWaalsContact NH1-OE2 3.12Å; R70-E170 IonicContact NH2-OE2 2.9Å; Q166-E170 PolarHBondContact NE2-OE1 3.1Å; Q166-E170 WeakPolarHBondContact O-CB 3.44Å; Q166-E170 WeakPolarHBondContact O-CG 3.4Å; Q166-E170 PolarHBondContact O-N 3.26Å; V167-E170 PolarHBondContact O-N 3.43Å; E170-G172 PolarHBondContact O-N 3.48Å
171	L	74.3	Confident	65.6	Low	26 Å²	26	77.6 Å²	77.6	14%	0.136	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.2	179	-69.2	175.2	0	0	0	113	I44 I47 V167 L168 D169 L173	I44-L171 HydrophobicContact CG1-CD2 4.4Å; I44-L171 HydrophobicContact CG2-CD2 3.6Å; I47-L171 HydrophobicContact CG2-CD1 3.77Å; V167-L171 HydrophobicContact CG1-CD1 3.95Å; V167-L171 HydrophobicContact CG1-CG 4.47Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 WeakPolarHBondContact O-CG 3.47Å; V167-L171 PolarHBondContact O-N 3.21Å; L168-L171 PolarHBondContact O-N 3.32Å; D169-L171 PolarHBondContact O-N 3.1Å; L171-L173 HydrophobicContact CB-CD1 4.12Å; L171-L173 HydrophobicContact CB-CG 4.02Å; L171-L173 HydrophobicContact CD1-CD1 4.43Å; L171-L173 PolarHBondContact O-N 3.42Å
172	G	68.3	Low	64.9	Low	56 Å²	56	79.9 Å²	79.9	58%	0.577	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	25.7	-179.6	0	0	0	0	0	112.4	L168 D169 E170 N174	L168-G172 PolarHBondContact O-N 3.43Å; D169-G172 PolarHBondContact O-N 3.33Å; E170-G172 PolarHBondContact O-N 3.48Å; G172-N174 PolarHBondContact O-N 3.01Å
173	L	69.6	Low	63.6	Low	53 Å²	53	81.7 Å²	81.7	28%	0.277	46%	0.462	S	S	.	.			trans	-84	9.1	177.7	-64.1	176.6	0	0	0	112.5	I47 K48 A51 L168 L171 L175	I47-L173 HydrophobicContact CG2-CD1 3.74Å; K48-L173 HydrophobicContact CG-CD2 4.44Å; A51-L173 HydrophobicContact CB-CD1 3.63Å; A51-L173 HydrophobicContact CB-CD2 3.66Å; A51-L173 HydrophobicContact CB-CG 4.17Å; L168-L173 HydrophobicContact CD2-CD1 3.94Å; L168-L173 PolarHBondContact O-N 3.26Å; L168-L173 VanDerWaalsContact O-N 3.12Å; L171-L173 HydrophobicContact CB-CD1 4.12Å; L171-L173 HydrophobicContact CB-CG 4.02Å; L171-L173 HydrophobicContact CD1-CD1 4.43Å; L171-L173 PolarHBondContact O-N 3.42Å; L173-L175 PolarHBondContact O-N 3.33Å
174	N	58.8	Low	62.8	Low	84 Å²	84	85.6 Å²	85.6	45%	0.449	49%	0.491	S	S	.	.	S	Bend	trans	-53.7	138.2	174.1	-95.2	-49.2	0	0	0	110.9	D169 G172 S176	D169-N174 VanDerWaalsContact OD1-CG 3.29Å; D169-N174 PolarHBondContact OD1-ND2 3.13Å; D169-N174 PolarHBondContact OD1-OD1 2.98Å; D169-N174 VanDerWaalsContact OD1-OD1 3.13Å; G172-N174 PolarHBondContact O-N 3.01Å; N174-S176 PolarHBondContact O-N 3Å; N174-S176 PolarHBondContact O-OG 3.05Å
175	L	52.8	Low	61.4	Low	127 Å²	127	91.5 Å²	91.5	67%	0.665	53%	0.527	S	S	*	.	S	Bend	trans	-39.7	24.3	178.3	-146.3	72.8	0	0	0	117.5	L173 E178	L173-L175 PolarHBondContact O-N 3.33Å; L175-E178 VanDerWaalsContact CD1-OE2 3.29Å; L175-E178 WeakPolarHBondContact CD1-OE2 3.01Å; L175-E178 HydrophobicContact CG-CB 4.34Å
176	S	50.4	Low	60.7	Low	78 Å²	78	92.2 Å²	92.2	55%	0.545	55%	0.545	S	S	.	.	H	α-helix	trans	-73.9	-30.8	179.6	-27.3	0	0	0	0	111.5	N174 E178 L179 S180	N174-S176 PolarHBondContact O-N 3Å; N174-S176 PolarHBondContact O-OG 3.05Å; S176-E178 VanDerWaalsContact C-N 3.34Å; S176-L179 PolarHBondContact O-N 3.17Å; S176-S180 PolarHBondContact O-N 3.22Å
177	D	54.3	Low	58.7	Low	117 Å²	117	89.9 Å²	89.9	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-76.1	-23.2	178.3	-86.9	-13.3	0	0	0	112.4	N181	D177-N181 WeakPolarHBondContact O-CB 3.48Å; D177-N181 PolarHBondContact O-N 3.44Å; D177-N181 PolarHBondContact O-ND2 3.04Å
178	E	53.2	Low	57.3	Low	134 Å²	134	95.1 Å²	95.1	63%	0.626	59%	0.587	S	S	*	*	H	α-helix	trans	-74.5	-32.8	169.7	-113.8	177.2	179.2	0	0	111.4	L175 S176 N181 L182	L175-E178 VanDerWaalsContact CD1-OE2 3.29Å; L175-E178 WeakPolarHBondContact CD1-OE2 3.01Å; L175-E178 HydrophobicContact CG-CB 4.34Å; S176-E178 VanDerWaalsContact C-N 3.34Å; E178-N181 PolarHBondContact O-N 3.47Å; E178-L182 WeakPolarHBondContact O-CD1 3.08Å; E178-L182 PolarHBondContact O-N 2.88Å
179	L	52.6	Low	55.2	Low	140 Å²	140	100.7 Å²	100.7	73%	0.733	62%	0.616	S	S	*	*	H	α-helix	trans	-73.4	-27.4	173.6	-132.3	81.7	0	0	0	113.2	S176 L182	S176-L179 PolarHBondContact O-N 3.17Å; L179-L182 HydrophobicContact CD1-CD1 4.49Å
180	S	53.2	Low	53.4	Low	96 Å²	96	102.2 Å²	102.2	67%	0.671	63%	0.633	S	S	*	*	H	α-helix	trans	-78.3	-19.4	173.9	-123	0	0	0	0	113.5	S176	S176-S180 PolarHBondContact O-N 3.22Å
181	N	50.4	Low	51.3	Low	135 Å²	135	103.1 Å²	103.1	72%	0.722	65%	0.645	S	S	*	*	S	Bend	trans	-100.5	3.3	178.9	-84.6	-33.1	0	0	0	114.5	D177 E178 P183	D177-N181 WeakPolarHBondContact O-CB 3.48Å; D177-N181 PolarHBondContact O-N 3.44Å; D177-N181 PolarHBondContact O-ND2 3.04Å; E178-N181 PolarHBondContact O-N 3.47Å; N181-P183 WeakPolarHBondContact O-CD 3.44Å
182	L	49.5	Very low	49.6	Very low	120 Å²	120	106.9 Å²	106.9	63%	0.628	68%	0.68	S	S	*	*	S	Bend	trans	-65.8	121.3	162.1	-91.8	109.8	0	0	0	107.9	E178 L179 S184	E178-L182 WeakPolarHBondContact O-CD1 3.08Å; E178-L182 PolarHBondContact O-N 2.88Å; L179-L182 HydrophobicContact CD1-CD1 4.49Å; L182-S184 PolarHBondContact O-N 2.9Å
183	P	45.4	Very low	48	Very low	106 Å²	106	107.8 Å²	107.8	69%	0.688	69%	0.69	S	S	*	*			trans	-58.9	113.3	170.5	24	-29.5	0	0	0	106.6	N181 T185	N181-P183 WeakPolarHBondContact O-CD 3.44Å; P183-T185 PolarHBondContact O-N 2.71Å
184	S	50.9	Low	46.4	Very low	118 Å²	118	109 Å²	109	83%	0.825	71%	0.714	S	S	*	*			trans	-48.4	103.2	153.1	162.7	0	0	0	0	105.1	L182 G186	L182-S184 PolarHBondContact O-N 2.9Å; S184-G186 PolarHBondContact O-N 2.94Å
185	T	42.1	Very low	45.1	Very low	130 Å²	130	114.7 Å²	114.7	80%	0.798	74%	0.735	S	S	*	*			trans	-66.8	85.3	176.9	50.7	0	0	0	0	106.7	P183 G187	P183-T185 PolarHBondContact O-N 2.71Å; T185-G187 PolarHBondContact O-N 3.34Å
186	G	58.3	Low	44.4	Very low	79 Å²	79	118 Å²	118	81%	0.814	74%	0.744	S	S	*	*			trans	-61.2	111.9	159.8	0	0	0	0	0	107.6	S184	S184-G186 PolarHBondContact O-N 2.94Å
187	G	36.2	Very low	43.5	Very low	61 Å²	61	120.2 Å²	120.2	63%	0.629	76%	0.76	S	S	*	*			trans	-150	75.4	179.6	0	0	0	0	0	110	T185 L189	T185-G187 PolarHBondContact O-N 3.34Å; G187-L189 PolarHBondContact O-N 2.99Å
188	S	45.7	Very low	42.5	Very low	113 Å²	113	123.6 Å²	123.6	79%	0.79	77%	0.772	S	S	*	*			trans	-50.8	104.8	163.6	-179	0	0	0	0	109.5
189	L	34.9	Very low	42	Very low	158 Å²	158	122.7 Å²	122.7	83%	0.827	78%	0.778	S	S	*	*			trans	-115.3	86.1	163.2	-87.7	160.6	0	0	0	107.3	G187 V191	G187-L189 PolarHBondContact O-N 2.99Å; L189-V191 PolarHBondContact O-N 3.18Å; L189-V191 VanDerWaalsContact O-N 3.1Å
190	S	44.2	Very low	41.3	Very low	108 Å²	108	125.1 Å²	125.1	76%	0.755	79%	0.785	S	S	*	*			trans	-55.6	105.1	157.9	5.3	0	0	0	0	108.9
191	V	32.9	Very low	40.9	Very low	127 Å²	127	125 Å²	125	77%	0.77	78%	0.782	S	S	*	*			trans	-120.2	104.1	157.2	178.1	0	0	0	0	107.4	L189	L189-V191 PolarHBondContact O-N 3.18Å; L189-V191 VanDerWaalsContact O-N 3.1Å
192	A	37.2	Very low	40.8	Very low	104 Å²	104	123.4 Å²	123.4	86%	0.86	79%	0.787	S	S	*	*			trans	-66.7	127.6	165.3	0	0	0	0	0	109.1
193	G	34.9	Very low	40.7	Very low	76 Å²	76	124.8 Å²	124.8	78%	0.784	80%	0.795	S	S	*	*			trans	142.9	80.6	159.8	0	0	0	0	0	117.4
194	G	35.7	Very low	41	Very low	77 Å²	77	123 Å²	123	79%	0.794	79%	0.788	S	S	*	*			trans	92.7	126.8	134.7	0	0	0	0	0	120.6
195	K	32.5	Very low	41.3	Very low	205 Å²	205	123.9 Å²	123.9	89%	0.891	78%	0.784	S	S	*	*			trans	87.1	103.5	153.8	-79.9	178.2	172.8	175.8	0	120.5
196	K	37.3	Very low	42	Very low	196 Å²	196	120.5 Å²	120.5	85%	0.852	77%	0.769	S	S	*	*				38.2	117.6	128.9	-70.7	-175.1	174.1	-174.3	0	119.1
197	S	31.2	Very low	42.2	Very low	124 Å²	124	121.8 Å²	121.8	87%	0.867	76%	0.758	S	S	*	*				175.2	145.2	109.4	47.7	0	0	0	0	112.6
198	E	34.5	Very low	43.9	Very low	189 Å²	189	121.4 Å²	121.4	88%	0.883	75%	0.748	S	S	*	*			trans	-63.7	170.8	-179.7	-87.8	173.2	152	0	0	116
199	P	41.5	Very low	45.3	Very low	115 Å²	115	120.8 Å²	120.8	75%	0.747	74%	0.736	S	S	*	*			trans	-96.2	142.1	-167.5	36.2	-30	0	0	0	114.3
200	Q	39.5	Very low	47.2	Very low	190 Å²	190	117.8 Å²	117.8	89%	0.888	72%	0.721	S	S	*	*			trans	178.3	165.4	161.6	-108.3	173.6	27.2	0	0	110.8
201	P	44.7	Very low	48.7	Very low	95 Å²	95	119 Å²	119	62%	0.617	71%	0.714	S	S	*	*				-132.6	110.8	-62.6	31.4	-9.9	0	0	0	111	L203	P201-L203 VanDerWaalsContact C-N 3.25Å; P201-L203 PolarHBondContact O-N 2.86Å
202	A	47.9	Very low	51	Low	100 Å²	100	119 Å²	119	83%	0.826	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	10.8	-176.6	0	0	0	0	0	115.4
203	L	48	Very low	52.8	Low	150 Å²	150	122.3 Å²	122.3	79%	0.785	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-14.7	-175.3	-70.7	166	0	0	0	114	P201	P201-L203 VanDerWaalsContact C-N 3.25Å; P201-L203 PolarHBondContact O-N 2.86Å
204	A	51.8	Low	54.9	Low	67 Å²	67	123.9 Å²	123.9	55%	0.554	69%	0.686	S	S	*	*	H	α-helix	trans	-84	-24.4	-178.1	0	0	0	0	0	113.9	A208	A204-A208 PolarHBondContact O-N 2.7Å
205	D	55.7	Low	57.1	Low	138 Å²	138	124.9 Å²	124.9	74%	0.738	67%	0.673	S	S	*	*	H	α-helix	trans	-75	-30.2	-178.6	-100.3	-19.5	0	0	0	112.8	D209	D205-D209 PolarHBondContact O-N 3.26Å
206	A	57.5	Low	59.3	Low	59 Å²	59	120.1 Å²	120.1	49%	0.488	66%	0.657	S	S	.	*	H	α-helix	trans	-72.8	-33.9	179.7	0	0	0	0	0	112.4	L210	A206-L210 WeakPolarHBondContact O-CG 3.32Å; A206-L210 PolarHBondContact O-N 3.2Å
207	D	61.6	Low	61.1	Low	106 Å²	106	117.7 Å²	117.7	57%	0.567	65%	0.653	S	S	*	*	H	α-helix	trans	-74.4	-34.9	178.8	-73.6	-14.5	0	0	0	111.5	L210 E211	D207-L210 PolarHBondContact O-N 3.48Å; D207-E211 WeakPolarHBondContact O-CG 3.32Å; D207-E211 PolarHBondContact O-N 3.27Å
208	A	72.2	Confident	63	Low	52 Å²	52	121.4 Å²	121.4	43%	0.43	65%	0.648	S	S	.	*	H	α-helix	trans	-65.6	-40.5	176.9	0	0	0	0	0	112.9	A204 L210 E211 E212	A204-A208 PolarHBondContact O-N 2.7Å; A208-L210 VanDerWaalsContact C-N 3.34Å; A208-E211 PolarHBondContact O-N 3.48Å; A208-E212 PolarHBondContact O-N 3.49Å; A208-E212 VanDerWaalsContact O-N 3.14Å
209	D	76	Confident	64.6	Low	100 Å²	100	122.9 Å²	122.9	54%	0.535	65%	0.645	S	S	.	*	H	α-helix	trans	-71.7	-29.5	180	-158.3	21.5	0	0	0	111.9	D205 R213	D205-D209 PolarHBondContact O-N 3.26Å; D209-R213 WeakPolarHBondContact O-CG 3.48Å; D209-R213 PolarHBondContact O-N 2.74Å
210	L	74.3	Confident	65	Low	96 Å²	96	127.6 Å²	127.6	50%	0.503	66%	0.664	S	S	.	*	H	α-helix	trans	-73.9	-38.4	173.1	-74.5	171.3	0	0	0	112.7	A206 D207 A208 R213 L214	A206-L210 WeakPolarHBondContact O-CG 3.32Å; A206-L210 PolarHBondContact O-N 3.2Å; D207-L210 PolarHBondContact O-N 3.48Å; A208-L210 VanDerWaalsContact C-N 3.34Å; L210-R213 PolarHBondContact O-N 3.32Å; L210-L214 WeakPolarHBondContact O-CB 3.34Å; L210-L214 WeakPolarHBondContact O-CG 3.21Å; L210-L214 PolarHBondContact O-N 3.48Å
211	E	76.2	Confident	66.3	Low	132 Å²	132	124.5 Å²	124.5	62%	0.617	65%	0.653	S	S	*	*	H	α-helix	trans	-66.4	-38	175.9	-77	-170.6	167.8	0	0	112.3	D207 A208 L214 N215	D207-E211 WeakPolarHBondContact O-CG 3.32Å; D207-E211 PolarHBondContact O-N 3.27Å; A208-E211 PolarHBondContact O-N 3.48Å; E211-L214 PolarHBondContact O-N 3.05Å; E211-N215 PolarHBondContact O-N 3.01Å; E211-N215 PolarHBondContact O-ND2 3.15Å
212	E	80.4	Confident	67.4	Low	127 Å²	127	126 Å²	126	59%	0.593	66%	0.655	S	S	*	*	H	α-helix	trans	-67	-39.8	176.6	-164	169.5	-164.1	0	0	111.6	A208 N215 N216	A208-E212 PolarHBondContact O-N 3.49Å; A208-E212 VanDerWaalsContact O-N 3.14Å; E212-N215 PolarHBondContact O-N 3.45Å; E212-N216 PolarHBondContact O-N 3.36Å; E212-N216 VanDerWaalsContact O-N 3.15Å
213	R	75.8	Confident	68.5	Low	175 Å²	175	127.4 Å²	127.4	66%	0.66	65%	0.645	S	S	*	*	H	α-helix	trans	-63.7	-39.4	172.2	-80.2	176.3	143.3	-164.3	-4.9	113.2	D209 L210 N216 L217	D209-R213 WeakPolarHBondContact O-CG 3.48Å; D209-R213 PolarHBondContact O-N 2.74Å; L210-R213 PolarHBondContact O-N 3.32Å; R213-N216 PolarHBondContact O-N 3.25Å; R213-L217 PolarHBondContact O-N 3.25Å
214	L	78.3	Confident	69.7	Low	109 Å²	109	126.1 Å²	126.1	57%	0.571	64%	0.637	S	S	*	*	H	α-helix	trans	-67.9	-35	176.8	-83.6	163.5	0	0	0	112.8	L210 E211 L217 R218	L210-L214 WeakPolarHBondContact O-CB 3.34Å; L210-L214 WeakPolarHBondContact O-CG 3.21Å; L210-L214 PolarHBondContact O-N 3.48Å; E211-L214 PolarHBondContact O-N 3.05Å; L214-L217 PolarHBondContact O-N 2.92Å; L214-R218 PolarHBondContact O-N 2.96Å
215	N	82.8	Confident	70.8	Confident	98 Å²	98	129.8 Å²	129.8	52%	0.524	64%	0.642	S	S	.	*	H	α-helix	trans	-72.2	-32.7	177.4	-78.6	-30.6	0	0	0	112.8	E211 E212 R218	E211-N215 PolarHBondContact O-N 3.01Å; E211-N215 PolarHBondContact O-ND2 3.15Å; E212-N215 PolarHBondContact O-N 3.45Å; N215-R218 PolarHBondContact O-N 3.42Å
216	N	78.1	Confident	71.8	Confident	104 Å²	104	129.3 Å²	129.3	56%	0.556	64%	0.636	S	S	*	*	H	α-helix	trans	-69.6	-34.4	173.6	-78	-21.2	0	0	0	112.4	E212 R213 R218 R219	E212-N216 PolarHBondContact O-N 3.36Å; E212-N216 VanDerWaalsContact O-N 3.15Å; R213-N216 PolarHBondContact O-N 3.25Å; N216-R218 VanDerWaalsContact C-N 3.3Å; N216-R218 PolarHBondContact O-N 2.99Å; N216-R219 PolarHBondContact O-N 2.69Å
217	L	74.6	Confident	72.8	Confident	145 Å²	145	134.3 Å²	134.3	76%	0.759	65%	0.646	S	S	*	*	H	α-helix	trans	-72.4	-20	175.4	-118.5	90.7	0	0	0	114.4	R213 L214	R213-L217 PolarHBondContact O-N 3.25Å; L214-L217 PolarHBondContact O-N 2.92Å
218	R	72.7	Confident	73.7	Confident	203 Å²	203	136.5 Å²	136.5	77%	0.766	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-5	179.6	-83.8	179.1	136.6	150	-1.4	113.9	L214 N215 N216	L214-R218 PolarHBondContact O-N 2.96Å; N215-R218 PolarHBondContact O-N 3.42Å; N216-R218 VanDerWaalsContact C-N 3.3Å; N216-R218 PolarHBondContact O-N 2.99Å
219	R	67.9	Low	73.8	Confident	220 Å²	220	143.5 Å²	143.5	83%	0.83	67%	0.671	S	S	*	*			trans	-104.2	-6.5	-176	-100.3	-178.8	165.8	175.5	-2.8	114.4	N216	N216-R219 PolarHBondContact O-N 2.69Å
220	D	48.5	Very low	73.6	Confident	213 Å²	213	147.5 Å²	147.5	100%	1.139	68%	0.684	S	S	*	*			trans	-100.4	0	165.4	-69.4	-29.8	0	0	0	110.3

Retrieved 220 of 220 residues in 446.7 ms (Link to these results)

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