A0A3Q0KRU9_SCHMA Loading...

Synaptosomal-associated protein

AlphaFold DB , UniProt , Accession A0A3Q0KRU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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	37.6	Very low	53.5	Low	230 Å²	230	139.3 Å²	139.3	100%	1.133	76%	0.755	S	S	*	*				0	150.9	0	-67.1	-59.1	-176.8	0	0	107
2	D	42.7	Very low	56.4	Low	154 Å²	154	140.7 Å²	140.7	82%	0.824	75%	0.753	S	S	*	*			trans	92.3	70.2	-173.4	-50.9	-21.6	0	0	0	114.3	P4	D2-P4 WeakPolarHBondContact O-CD 3.47Å
3	N	50.4	Low	58.5	Low	144 Å²	144	137.1 Å²	137.1	77%	0.77	73%	0.732	S	S	*	*			trans	-61	114.9	154	-178.3	37.6	0	0	0	107	A5	N3-A5 PolarHBondContact O-N 3.08Å; N3-A5 VanDerWaalsContact O-N 3.08Å
4	P	47.7	Very low	60.5	Low	102 Å²	102	134.9 Å²	134.9	66%	0.662	72%	0.716	S	S	*	*			trans	-64.7	119.9	-177.3	27	-31.5	0	0	0	106.7	D2 T6	D2-P4 WeakPolarHBondContact O-CD 3.47Å; P4-T6 PolarHBondContact O-N 2.78Å
5	A	48.5	Very low	62.4	Low	91 Å²	91	130.8 Å²	130.8	75%	0.752	69%	0.694	S	S	*	*			trans	-44.2	106.5	170.7	0	0	0	0	0	107.6	N3 R7	N3-A5 PolarHBondContact O-N 3.08Å; N3-A5 VanDerWaalsContact O-N 3.08Å; A5-R7 PolarHBondContact O-N 2.73Å
6	T	51.7	Low	64	Low	115 Å²	115	128.4 Å²	128.4	71%	0.706	68%	0.681	S	S	*	*			trans	-61.6	91.7	169.7	47.9	0	0	0	0	104.2	P4 Q8	P4-T6 PolarHBondContact O-N 2.78Å; T6-Q8 PolarHBondContact O-N 2.75Å
7	R	51.8	Low	65.4	Low	236 Å²	236	129.6 Å²	129.6	89%	0.891	67%	0.674	S	S	*	*			trans	-52.1	96.3	162.1	-85.8	179.7	168.8	153	-3.6	104.1	A5 P9	A5-R7 PolarHBondContact O-N 2.73Å; R7-P9 WeakPolarHBondContact O-CD 3.44Å; R7-P9 VanDerWaalsContact O-N 3.1Å
8	Q	54.9	Low	66.7	Low	169 Å²	169	128.8 Å²	128.8	79%	0.79	67%	0.668	S	S	*	*			trans	-53.3	121.3	164.4	-71.6	178.5	-3.8	0	0	103.9	T6 M10	T6-Q8 PolarHBondContact O-N 2.75Å; Q8-M10 PolarHBondContact O-N 3.49Å; Q8-M10 VanDerWaalsContact O-N 3.11Å
9	P	58.9	Low	67.9	Low	120 Å²	120	127.5 Å²	127.5	78%	0.779	66%	0.658	S	S	*	*			trans	-55.4	127.1	176.7	22.8	-30.6	0	0	0	106.2	R7 S11	R7-P9 WeakPolarHBondContact O-CD 3.44Å; R7-P9 VanDerWaalsContact O-N 3.1Å; P9-S11 PolarHBondContact O-N 3.11Å
10	M	61.3	Low	69	Low	97 Å²	97	125 Å²	125	48%	0.478	64%	0.644	S	S	.	*			trans	-43.7	133.5	-180	-69	179.7	-59.3	0	0	108.7	Q8 E12 E14 L15	Q8-M10 PolarHBondContact O-N 3.49Å; Q8-M10 VanDerWaalsContact O-N 3.11Å; M10-E12 PolarHBondContact O-N 3.29Å; M10-E14 HydrophobicContact CB-CB 4.3Å; M10-E14 HydrophobicContact CB-CG 4.31Å; M10-L15 HydrophobicContact CE-CD1 4.37Å
11	S	83.1	Confident	69.9	Low	74 Å²	74	122 Å²	122	52%	0.517	63%	0.63	S	S	.	*			trans	-53.4	143.8	177.2	174.1	0	0	0	0	109.2	P9 L13 E14 L15	P9-S11 PolarHBondContact O-N 3.11Å; S11-L13 PolarHBondContact O-N 3Å; S11-E14 WeakPolarHBondContact O-CA 3.28Å; S11-E14 VanDerWaalsContact O-CB 3.28Å; S11-E14 WeakPolarHBondContact O-CB 3.37Å; S11-E14 PolarHBondContact O-N 3.37Å; S11-L15 PolarHBondContact O-N 3.47Å
12	E	87.7	Confident	72.5	Confident	156 Å²	156	113.7 Å²	113.7	73%	0.729	60%	0.597	S	S	*	*	H	α-helix	trans	-49.6	-37.8	176.6	-177.7	-179.1	177.6	0	0	111.5	M10 E14 L15 L16	M10-E12 PolarHBondContact O-N 3.29Å; E12-E14 PolarHBondContact O-N 3.06Å; E12-L15 PolarHBondContact O-N 2.91Å; E12-L16 HydrophobicContact CG-CD1 4.36Å; E12-L16 WeakPolarHBondContact O-CG 3.44Å; E12-L16 PolarHBondContact O-N 2.78Å
13	L	84.4	Confident	74.8	Confident	94 Å²	94	112.3 Å²	112.3	49%	0.492	58%	0.584	S	S	.	*	H	α-helix	trans	-63.5	-38	174.8	-177.1	62.9	0	0	0	113.2	S11 R17	S11-L13 PolarHBondContact O-N 3Å; L13-R17 WeakPolarHBondContact O-CB 3.33Å; L13-R17 VanDerWaalsContact O-CG 3.28Å; L13-R17 WeakPolarHBondContact O-CG 3.36Å; L13-R17 PolarHBondContact O-N 3.34Å
14	E	86.1	Confident	76.7	Confident	107 Å²	107	106.3 Å²	106.3	50%	0.5	55%	0.552	S	S	.	*	H	α-helix	trans	-69.5	-41.4	177.4	-173.4	176.8	-168.5	0	0	111	M10 S11 E12 R17 M18	M10-E14 HydrophobicContact CB-CB 4.3Å; M10-E14 HydrophobicContact CB-CG 4.31Å; S11-E14 WeakPolarHBondContact O-CA 3.28Å; S11-E14 VanDerWaalsContact O-CB 3.28Å; S11-E14 WeakPolarHBondContact O-CB 3.37Å; S11-E14 PolarHBondContact O-N 3.37Å; E12-E14 PolarHBondContact O-N 3.06Å; E14-R17 PolarHBondContact O-N 2.98Å; E14-M18 WeakPolarHBondContact O-CB 3.28Å; E14-M18 PolarHBondContact O-N 2.89Å
15	L	89.3	Confident	78.8	Confident	73 Å²	73	104.7 Å²	104.7	38%	0.382	54%	0.538	S	S	.	.	H	α-helix	trans	-60.9	-46.1	174	179.7	63.4	0	0	0	111.4	M10 S11 E12 R17 M18 Q19	M10-L15 HydrophobicContact CE-CD1 4.37Å; S11-L15 PolarHBondContact O-N 3.47Å; E12-L15 PolarHBondContact O-N 2.91Å; L15-R17 PolarHBondContact O-N 3.37Å; L15-M18 PolarHBondContact O-N 3.47Å; L15-Q19 HydrophobicContact CD1-CG 4.45Å; L15-Q19 WeakPolarHBondContact O-CG 3.5Å; L15-Q19 PolarHBondContact O-N 2.88Å
16	L	88.7	Confident	80.9	Confident	93 Å²	93	105.8 Å²	105.8	49%	0.487	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-41	177.8	-74	170.5	0	0	0	112.1	E12 Q19 M20	E12-L16 HydrophobicContact CG-CD1 4.36Å; E12-L16 WeakPolarHBondContact O-CG 3.44Å; E12-L16 PolarHBondContact O-N 2.78Å; L16-Q19 PolarHBondContact O-N 2.96Å; L16-M20 WeakPolarHBondContact O-CB 3.36Å; L16-M20 PolarHBondContact O-N 3.26Å
17	R	87.2	Confident	82.9	Confident	148 Å²	148	103.6 Å²	103.6	56%	0.558	52%	0.515	S	S	*	.	H	α-helix	trans	-64.3	-41.5	174.9	-75.4	174.5	179.1	-177.4	0.1	112.1	L13 E14 L15 M20 N21	L13-R17 WeakPolarHBondContact O-CB 3.33Å; L13-R17 VanDerWaalsContact O-CG 3.28Å; L13-R17 WeakPolarHBondContact O-CG 3.36Å; L13-R17 PolarHBondContact O-N 3.34Å; E14-R17 PolarHBondContact O-N 2.98Å; L15-R17 PolarHBondContact O-N 3.37Å; R17-M20 PolarHBondContact O-N 3.36Å; R17-N21 WeakPolarHBondContact O-CB 3.38Å; R17-N21 PolarHBondContact O-N 2.96Å; R17-N21 PolarHBondContact O-ND2 2.98Å
18	M	88.6	Confident	84.9	Confident	116 Å²	116	92.7 Å²	92.7	57%	0.571	47%	0.474	S	S	*	.	H	α-helix	trans	-62.3	-44.6	175.5	-177.9	179	-105.9	0	0	111.1	E14 L15 N21 A22	E14-M18 WeakPolarHBondContact O-CB 3.28Å; E14-M18 PolarHBondContact O-N 2.89Å; L15-M18 PolarHBondContact O-N 3.47Å; M18-N21 PolarHBondContact O-N 3.05Å; M18-A22 WeakPolarHBondContact O-CB 3.48Å; M18-A22 PolarHBondContact O-N 2.91Å
19	Q	90.3	Very high	86.8	Confident	104 Å²	104	89 Å²	89	49%	0.486	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-43.9	176.4	-73.3	176.7	-4.4	0	0	112.4	L15 L16 A22 K23	L15-Q19 HydrophobicContact CD1-CG 4.45Å; L15-Q19 WeakPolarHBondContact O-CG 3.5Å; L15-Q19 PolarHBondContact O-N 2.88Å; L16-Q19 PolarHBondContact O-N 2.96Å; Q19-A22 PolarHBondContact O-N 3.17Å; Q19-K23 WeakPolarHBondContact O-CG 3.39Å; Q19-K23 PolarHBondContact O-N 3.45Å
20	M	88.6	Confident	88.6	Confident	77 Å²	77	86.3 Å²	86.3	38%	0.379	44%	0.443	S	S	.	.	H	α-helix	trans	-60.5	-48.5	177.1	-178.5	179.2	60.8	0	0	111.1	L16 R17 A22 K23 T24 I148 T149	L16-M20 WeakPolarHBondContact O-CB 3.36Å; L16-M20 PolarHBondContact O-N 3.26Å; R17-M20 PolarHBondContact O-N 3.36Å; M20-A22 PolarHBondContact O-N 3.43Å; M20-K23 PolarHBondContact O-N 3.47Å; M20-T24 PolarHBondContact O-N 3.49Å; M20-T24 PolarHBondContact O-OG1 2.71Å; M20-I148 HydrophobicContact SD-CG2 4.3Å; M20-T149 HydrophobicContact CE-CG2 4.17Å; M20-T149 HydrophobicContact SD-CG2 4.37Å
21	N	89.5	Confident	90.2	Very high	63 Å²	63	81.8 Å²	81.8	34%	0.337	42%	0.421	S	S	.	.	H	α-helix	trans	-61.3	-43.5	177.2	-79	-26.4	0	0	0	112.2	R17 M18 K23 T24 D25 R153	R17-N21 WeakPolarHBondContact O-CB 3.38Å; R17-N21 PolarHBondContact O-N 2.96Å; R17-N21 PolarHBondContact O-ND2 2.98Å; M18-N21 PolarHBondContact O-N 3.05Å; N21-K23 VanDerWaalsContact C-N 3.27Å; N21-K23 PolarHBondContact O-N 3Å; N21-T24 PolarHBondContact O-N 3.22Å; N21-D25 VanDerWaalsContact O-CG 3.32Å; N21-D25 PolarHBondContact O-N 2.94Å; N21-R153 PolarHBondContact OD1-NH2 3.14Å
22	A	90.8	Very high	90.9	Very high	55 Å²	55	83.3 Å²	83.3	46%	0.455	42%	0.416	S	S	.	.	H	α-helix	trans	-60.2	-38.5	176.5	0	0	0	0	0	111.8	M18 Q19 M20 E26	M18-A22 WeakPolarHBondContact O-CB 3.48Å; M18-A22 PolarHBondContact O-N 2.91Å; Q19-A22 PolarHBondContact O-N 3.17Å; M20-A22 PolarHBondContact O-N 3.43Å; A22-E26 VanDerWaalsContact O-CB 3.32Å; A22-E26 WeakPolarHBondContact O-CB 3.45Å; A22-E26 PolarHBondContact O-N 3.13Å
23	K	90.4	Very high	91.3	Very high	125 Å²	125	79.5 Å²	79.5	54%	0.543	40%	0.4	S	S	.	.	H	α-helix	trans	-70.8	-37.1	176.1	-72.7	-67.7	170.5	-160.3	0	113.2	Q19 M20 N21 E26 T27	Q19-K23 WeakPolarHBondContact O-CG 3.39Å; Q19-K23 PolarHBondContact O-N 3.45Å; M20-K23 PolarHBondContact O-N 3.47Å; N21-K23 VanDerWaalsContact C-N 3.27Å; N21-K23 PolarHBondContact O-N 3Å; K23-E26 WeakPolarHBondContact CD-OE2 3.12Å; K23-E26 IonicContact NZ-OE1 3.77Å; K23-E26 IonicContact NZ-OE2 2.71Å; K23-E26 PolarHBondContact NZ-OE2 2.93Å; K23-T27 WeakPolarHBondContact O-CB 3.46Å; K23-T27 PolarHBondContact O-N 2.72Å; K23-T27 PolarHBondContact O-OG1 2.98Å
24	T	90.6	Very high	91.9	Very high	17 Å²	17	78.2 Å²	78.2	10%	0.104	39%	0.392	C	S	.	.	H	α-helix	trans	-62.6	-45.9	172.8	-59	0	0	0	0	111	M20 N21 T27 L28 R153 M157	M20-T24 PolarHBondContact O-N 3.49Å; M20-T24 PolarHBondContact O-OG1 2.71Å; N21-T24 PolarHBondContact O-N 3.22Å; T24-T27 PolarHBondContact O-N 2.8Å; T24-L28 WeakPolarHBondContact O-CB 3.32Å; T24-L28 PolarHBondContact O-N 2.93Å; T24-R153 HydrophobicContact CG2-CB 4.12Å; T24-M157 HydrophobicContact CG2-CE 3.9Å
25	D	91.9	Very high	92.4	Very high	69 Å²	69	74.3 Å²	74.3	37%	0.369	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-43.8	178.8	-66.2	-25.5	0	0	0	111.5	N21 T27 L28 D29 R153	N21-D25 VanDerWaalsContact O-CG 3.32Å; N21-D25 PolarHBondContact O-N 2.94Å; D25-T27 VanDerWaalsContact C-N 3.33Å; D25-T27 PolarHBondContact O-N 2.73Å; D25-L28 PolarHBondContact O-N 3.37Å; D25-D29 PolarHBondContact O-N 2.76Å; D25-R153 WeakPolarHBondContact OD1-CD 3.37Å; D25-R153 IonicContact OD1-CZ 2.84Å; D25-R153 IonicContact OD1-NE 2.74Å; D25-R153 IonicContact OD1-NH1 2.72Å; D25-R153 PolarHBondContact OD1-NH1 2.86Å; D25-R153 IonicContact OD2-NH1 3.51Å
26	E	93.5	Very high	92.7	Very high	113 Å²	113	78.2 Å²	78.2	53%	0.528	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-42.6	174.4	-176	-176.2	174	0	0	111.9	A22 K23 S30	A22-E26 VanDerWaalsContact O-CB 3.32Å; A22-E26 WeakPolarHBondContact O-CB 3.45Å; A22-E26 PolarHBondContact O-N 3.13Å; K23-E26 WeakPolarHBondContact CD-OE2 3.12Å; K23-E26 IonicContact NZ-OE1 3.77Å; K23-E26 IonicContact NZ-OE2 2.71Å; K23-E26 PolarHBondContact NZ-OE2 2.93Å; E26-S30 WeakPolarHBondContact O-CB 3.43Å; E26-S30 PolarHBondContact O-N 3.46Å
27	T	93	Very high	93.1	Very high	70 Å²	70	78.2 Å²	78.2	43%	0.429	39%	0.386	S	S	.	.	H	α-helix	trans	-67.1	-41.2	178.2	-55	0	0	0	0	110.7	K23 T24 D25 S30 T31 M157	K23-T27 WeakPolarHBondContact O-CB 3.46Å; K23-T27 PolarHBondContact O-N 2.72Å; K23-T27 PolarHBondContact O-OG1 2.98Å; T24-T27 PolarHBondContact O-N 2.8Å; D25-T27 VanDerWaalsContact C-N 3.33Å; D25-T27 PolarHBondContact O-N 2.73Å; T27-S30 VanDerWaalsContact O-CB 3.3Å; T27-S30 WeakPolarHBondContact O-CB 3.44Å; T27-S30 PolarHBondContact O-N 3.1Å; T27-T31 WeakPolarHBondContact O-CG2 3.3Å; T27-T31 PolarHBondContact O-N 3.24Å; T27-M157 HydrophobicContact CG2-SD 3.51Å; T27-M157 VanDerWaalsContact CG2-SD 3.51Å
28	L	93.9	Very high	93.5	Very high	7 Å²	7	71.9 Å²	71.9	4%	0.037	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-48.8	177.1	177.7	61.2	0	0	0	111.5	T24 D25 S30 T31 R32 R153 E156 M157	T24-L28 WeakPolarHBondContact O-CB 3.32Å; T24-L28 PolarHBondContact O-N 2.93Å; D25-L28 PolarHBondContact O-N 3.37Å; L28-S30 VanDerWaalsContact C-N 3.25Å; L28-S30 PolarHBondContact O-N 2.91Å; L28-T31 PolarHBondContact O-N 3.43Å; L28-T31 PolarHBondContact O-OG1 3Å; L28-R32 PolarHBondContact O-N 3.34Å; L28-R153 HydrophobicContact CD2-CB 3.97Å; L28-R153 HydrophobicContact CD2-CG 4.06Å; L28-E156 HydrophobicContact CD1-CB 3.84Å; L28-E156 HydrophobicContact CD1-CG 3.86Å; L28-M157 HydrophobicContact CB-CG 3.96Å; L28-M157 HydrophobicContact CB-SD 4.26Å; L28-M157 HydrophobicContact CD1-CG 3.6Å; L28-M157 HydrophobicContact CG-CG 4.4Å
29	D	95.8	Very high	93.7	Very high	92 Å²	92	69.5 Å²	69.5	49%	0.492	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-35	176.6	-75.3	-19.1	0	0	0	112.2	D25 R32 N33	D25-D29 PolarHBondContact O-N 2.76Å; D29-R32 PolarHBondContact O-N 2.89Å; D29-R32 IonicContact OD1-CZ 3.21Å; D29-R32 IonicContact OD1-NH1 3.2Å; D29-R32 PolarHBondContact OD1-NH1 2.87Å; D29-N33 PolarHBondContact O-N 2.89Å
30	S	95.3	Very high	93.9	Very high	62 Å²	62	69.3 Å²	69.3	43%	0.434	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-44.9	171.1	-173.2	0	0	0	0	111.9	E26 T27 L28 R32 N33 M34	E26-S30 WeakPolarHBondContact O-CB 3.43Å; E26-S30 PolarHBondContact O-N 3.46Å; T27-S30 VanDerWaalsContact O-CB 3.3Å; T27-S30 WeakPolarHBondContact O-CB 3.44Å; T27-S30 PolarHBondContact O-N 3.1Å; L28-S30 VanDerWaalsContact C-N 3.25Å; L28-S30 PolarHBondContact O-N 2.91Å; S30-R32 PolarHBondContact O-N 2.99Å; S30-N33 PolarHBondContact O-N 2.91Å; S30-M34 WeakPolarHBondContact O-CG 3.37Å; S30-M34 PolarHBondContact O-N 3.26Å
31	T	96.3	Very high	94.1	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-38.5	177	67.2	0	0	0	0	112.9	T27 L28 M34 V35 M157 N160 L161	T27-T31 WeakPolarHBondContact O-CG2 3.3Å; T27-T31 PolarHBondContact O-N 3.24Å; L28-T31 PolarHBondContact O-N 3.43Å; L28-T31 PolarHBondContact O-OG1 3Å; T31-M34 HydrophobicContact CG2-CE 3.72Å; T31-M34 WeakPolarHBondContact O-CB 3.21Å; T31-M34 PolarHBondContact O-N 3.3Å; T31-V35 WeakPolarHBondContact O-CG2 3.18Å; T31-V35 PolarHBondContact O-N 3.31Å; T31-M157 HydrophobicContact CG2-CB 4.3Å; T31-M157 HydrophobicContact CG2-CG 4.12Å; T31-N160 PolarHBondContact OG1-ND2 3.48Å; T31-L161 HydrophobicContact CG2-CD2 4.1Å; T31-L161 HydrophobicContact CG2-CG 4.13Å
32	R	96.9	Very high	94.3	Very high	106 Å²	106	65.3 Å²	65.3	40%	0.4	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-43.3	173.5	-68	171.7	175.2	156.8	-3.3	111.7	L28 D29 S30 M34 V35 R36 E156	L28-R32 PolarHBondContact O-N 3.34Å; D29-R32 PolarHBondContact O-N 2.89Å; D29-R32 IonicContact OD1-CZ 3.21Å; D29-R32 IonicContact OD1-NH1 3.2Å; D29-R32 PolarHBondContact OD1-NH1 2.87Å; S30-R32 PolarHBondContact O-N 2.99Å; R32-M34 VanDerWaalsContact C-N 3.34Å; R32-V35 PolarHBondContact O-N 3.1Å; R32-R36 PolarHBondContact O-N 2.89Å; R32-E156 IonicContact CZ-OE1 2.8Å; R32-E156 VanDerWaalsContact CZ-OE1 3.26Å; R32-E156 IonicContact CZ-OE2 3.67Å; R32-E156 IonicContact NE-OE1 3.59Å; R32-E156 PolarHBondContact NE-OE1 3.19Å; R32-E156 IonicContact NE-OE2 3.13Å; R32-E156 VanDerWaalsContact NH2-CD 3.27Å; R32-E156 IonicContact NH2-OE1 3.12Å; R32-E156 PolarHBondContact NH2-OE1 3.46Å; R32-E156 IonicContact NH2-OE2 3.68Å; R32-E156 PolarHBondContact NH2-OE2 3.49Å
33	N	97	Very high	94.4	Very high	77 Å²	77	67.7 Å²	67.7	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-37.4	175.6	-176.9	54.9	0	0	0	112	D29 S30 R36 L37	D29-N33 PolarHBondContact O-N 2.89Å; S30-N33 PolarHBondContact O-N 2.91Å; N33-R36 PolarHBondContact O-N 3.16Å; N33-R36 PolarHBondContact OD1-NH2 3.36Å; N33-L37 WeakPolarHBondContact O-CB 3.39Å; N33-L37 PolarHBondContact O-N 2.7Å
34	M	96.2	Very high	94.5	Very high	66 Å²	66	64.8 Å²	64.8	33%	0.325	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-45.1	173.8	-73.3	-169.6	-74.2	0	0	111.6	S30 T31 R32 R36 L37 C38 L161 V164	S30-M34 WeakPolarHBondContact O-CG 3.37Å; S30-M34 PolarHBondContact O-N 3.26Å; T31-M34 HydrophobicContact CG2-CE 3.72Å; T31-M34 WeakPolarHBondContact O-CB 3.21Å; T31-M34 PolarHBondContact O-N 3.3Å; R32-M34 VanDerWaalsContact C-N 3.34Å; M34-R36 PolarHBondContact O-N 3.19Å; M34-L37 PolarHBondContact O-N 2.77Å; M34-C38 WeakPolarHBondContact O-CB 3.4Å; M34-C38 PolarHBondContact O-N 2.88Å; M34-C38 PolarHBondContact O-SG 3.43Å; M34-L161 HydrophobicContact CE-CD2 3.63Å; M34-V164 HydrophobicContact CB-CG2 3.75Å
35	V	96.4	Very high	94.6	Very high	26 Å²	26	64.4 Å²	64.4	16%	0.158	33%	0.329	C	S	.	.	H	α-helix	trans	-57.8	-50.8	175.7	169.9	0	0	0	0	110.4	T31 R32 L37 C38 D39 N160 Q163 V164 M167	T31-V35 WeakPolarHBondContact O-CG2 3.18Å; T31-V35 PolarHBondContact O-N 3.31Å; R32-V35 PolarHBondContact O-N 3.1Å; V35-L37 PolarHBondContact O-N 2.98Å; V35-C38 PolarHBondContact O-N 3.12Å; V35-D39 WeakPolarHBondContact O-CB 3.29Å; V35-D39 PolarHBondContact O-N 3.39Å; V35-N160 HydrophobicContact CG2-CB 3.83Å; V35-Q163 HydrophobicContact CG2-CB 4.35Å; V35-V164 HydrophobicContact CB-CG2 4.44Å; V35-V164 HydrophobicContact CG2-CG2 3.72Å; V35-M167 HydrophobicContact CB-CE 4.26Å; V35-M167 HydrophobicContact CG1-CE 3.98Å; V35-M167 HydrophobicContact CG2-CE 4.4Å
36	R	96.4	Very high	94.6	Very high	155 Å²	155	62.4 Å²	62.4	59%	0.585	32%	0.322	S	S	*	.	H	α-helix	trans	-59.7	-43.4	179.2	-172.2	-171.4	67.2	79.7	3.3	112.5	R32 N33 M34 E40	R32-R36 PolarHBondContact O-N 2.89Å; N33-R36 PolarHBondContact O-N 3.16Å; N33-R36 PolarHBondContact OD1-NH2 3.36Å; M34-R36 PolarHBondContact O-N 3.19Å; R36-E40 PolarHBondContact O-N 3.03Å
37	L	96.4	Very high	94.6	Very high	93 Å²	93	63.2 Å²	63.2	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-66.6	-40.8	179.4	179.7	63	0	0	0	111.6	N33 M34 V35 E40 S41	N33-L37 WeakPolarHBondContact O-CB 3.39Å; N33-L37 PolarHBondContact O-N 2.7Å; M34-L37 PolarHBondContact O-N 2.77Å; V35-L37 PolarHBondContact O-N 2.98Å; L37-E40 PolarHBondContact O-N 2.71Å; L37-S41 WeakPolarHBondContact O-CB 3.22Å; L37-S41 PolarHBondContact O-N 2.84Å; L37-S41 PolarHBondContact O-OG 3.2Å
38	C	94.9	Very high	94.6	Very high	14 Å²	14	62.4 Å²	62.4	10%	0.095	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-43.1	177.1	-69.6	0	0	0	0	111.3	M34 V35 E40 S41 T42 M167	M34-C38 WeakPolarHBondContact O-CB 3.4Å; M34-C38 PolarHBondContact O-N 2.88Å; M34-C38 PolarHBondContact O-SG 3.43Å; V35-C38 PolarHBondContact O-N 3.12Å; C38-E40 VanDerWaalsContact C-N 3.34Å; C38-E40 PolarHBondContact O-N 3.06Å; C38-S41 PolarHBondContact O-N 3.27Å; C38-T42 VanDerWaalsContact O-CG2 3.31Å; C38-T42 WeakPolarHBondContact O-CG2 3.39Å; C38-T42 PolarHBondContact O-N 2.99Å; C38-T42 PolarHBondContact O-OG1 2.84Å; C38-M167 HydrophobicContact CB-CB 3.74Å; C38-M167 HydrophobicContact CB-CE 3.59Å; C38-M167 HydrophobicContact CB-CG 4.32Å; C38-M167 HydrophobicContact CB-SD 3.63Å
39	D	93.3	Very high	94.5	Very high	67 Å²	67	62.1 Å²	62.1	36%	0.358	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-40.5	176	179.5	62.4	0	0	0	112.2	V35 T42 K43 M167	V35-D39 WeakPolarHBondContact O-CB 3.29Å; V35-D39 PolarHBondContact O-N 3.39Å; D39-T42 PolarHBondContact O-OG1 3.38Å; D39-K43 WeakPolarHBondContact O-CD 3.4Å; D39-K43 WeakPolarHBondContact O-CG 3.38Å; D39-K43 PolarHBondContact O-N 3.07Å; D39-K43 IonicContact OD1-NZ 3.95Å; D39-K43 WeakPolarHBondContact OD2-CE 3.36Å; D39-K43 IonicContact OD2-NZ 2.91Å; D39-K43 PolarHBondContact OD2-NZ 2.91Å; D39-M167 HydrophobicContact CB-SD 4.13Å; D39-M167 PolarHBondContact N-SD 2.97Å
40	E	94.1	Very high	94.3	Very high	99 Å²	99	59.5 Å²	59.5	46%	0.463	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-43.8	173.1	-175.2	57.8	-153.1	0	0	111.4	R36 L37 C38 T42 K43 V44	R36-E40 PolarHBondContact O-N 3.03Å; L37-E40 PolarHBondContact O-N 2.71Å; C38-E40 VanDerWaalsContact C-N 3.34Å; C38-E40 PolarHBondContact O-N 3.06Å; E40-T42 VanDerWaalsContact C-N 3.32Å; E40-T42 PolarHBondContact O-N 3.28Å; E40-K43 PolarHBondContact O-N 3.47Å; E40-V44 WeakPolarHBondContact O-CG2 3.48Å; E40-V44 PolarHBondContact O-N 3.01Å
41	S	94.6	Very high	94.2	Very high	44 Å²	44	63 Å²	63	31%	0.308	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-37.1	179.9	-59.2	0	0	0	0	112	L37 C38 G45	L37-S41 WeakPolarHBondContact O-CB 3.22Å; L37-S41 PolarHBondContact O-N 2.84Å; L37-S41 PolarHBondContact O-OG 3.2Å; C38-S41 PolarHBondContact O-N 3.27Å; S41-G45 PolarHBondContact O-N 2.88Å
42	T	92	Very high	94	Very high	12 Å²	12	63.9 Å²	63.9	7%	0.074	33%	0.325	C	S	.	.	H	α-helix	trans	-69.1	-39.1	178.2	55.1	0	0	0	0	111.2	C38 D39 E40 G45 A46 M167 L171 M174	C38-T42 VanDerWaalsContact O-CG2 3.31Å; C38-T42 WeakPolarHBondContact O-CG2 3.39Å; C38-T42 PolarHBondContact O-N 2.99Å; C38-T42 PolarHBondContact O-OG1 2.84Å; D39-T42 PolarHBondContact O-OG1 3.38Å; E40-T42 VanDerWaalsContact C-N 3.32Å; E40-T42 PolarHBondContact O-N 3.28Å; T42-G45 PolarHBondContact O-N 3.5Å; T42-A46 WeakPolarHBondContact O-CB 3.46Å; T42-A46 PolarHBondContact O-N 3.45Å; T42-M167 HydrophobicContact CG2-CB 4.16Å; T42-M167 HydrophobicContact CG2-CG 4.44Å; T42-L171 HydrophobicContact CG2-CD1 4.42Å; T42-L171 HydrophobicContact CG2-CD2 4Å; T42-L171 HydrophobicContact CG2-CG 3.86Å; T42-M174 HydrophobicContact CG2-CE 4.15Å
43	K	93	Very high	93.6	Very high	106 Å²	106	60.6 Å²	60.6	46%	0.461	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-48.8	173.6	-72.4	166.3	-179.7	163.5	0	111.9	D39 E40 G45 A46 Q47	D39-K43 WeakPolarHBondContact O-CD 3.4Å; D39-K43 WeakPolarHBondContact O-CG 3.38Å; D39-K43 PolarHBondContact O-N 3.07Å; D39-K43 IonicContact OD1-NZ 3.95Å; D39-K43 WeakPolarHBondContact OD2-CE 3.36Å; D39-K43 IonicContact OD2-NZ 2.91Å; D39-K43 PolarHBondContact OD2-NZ 2.91Å; E40-K43 PolarHBondContact O-N 3.47Å; K43-G45 VanDerWaalsContact C-N 3.33Å; K43-G45 PolarHBondContact O-N 3.5Å; K43-A46 PolarHBondContact O-N 2.94Å; K43-Q47 WeakPolarHBondContact O-CG 3.24Å; K43-Q47 PolarHBondContact O-N 3.31Å
44	V	92.7	Very high	93.3	Very high	64 Å²	64	59.5 Å²	59.5	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-40.9	177.1	173.9	0	0	0	0	111	E40 Q47 T48	E40-V44 WeakPolarHBondContact O-CG2 3.48Å; E40-V44 PolarHBondContact O-N 3.01Å; V44-Q47 PolarHBondContact O-N 3.07Å; V44-T48 WeakPolarHBondContact O-CB 3.48Å; V44-T48 PolarHBondContact O-N 2.94Å; V44-T48 PolarHBondContact O-OG1 2.88Å
45	G	92.8	Very high	93	Very high	9 Å²	9	59.6 Å²	59.6	9%	0.093	31%	0.313	C	S	.	.	H	α-helix	trans	-59.8	-47.8	175.7	0	0	0	0	0	112.4	S41 T42 K43 Q47 T48 L49	S41-G45 PolarHBondContact O-N 2.88Å; T42-G45 PolarHBondContact O-N 3.5Å; K43-G45 VanDerWaalsContact C-N 3.33Å; K43-G45 PolarHBondContact O-N 3.5Å; G45-Q47 PolarHBondContact O-N 2.96Å; G45-T48 WeakPolarHBondContact O-CB 3.34Å; G45-T48 PolarHBondContact O-N 3.35Å; G45-T48 VanDerWaalsContact O-N 3.14Å; G45-L49 PolarHBondContact O-N 2.98Å
46	A	91.6	Very high	92.8	Very high	27 Å²	27	58.4 Å²	58.4	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-43.3	177.3	0	0	0	0	0	112.2	T42 K43 T48 L49 G50 M174	T42-A46 WeakPolarHBondContact O-CB 3.46Å; T42-A46 PolarHBondContact O-N 3.45Å; K43-A46 PolarHBondContact O-N 2.94Å; A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 PolarHBondContact O-N 3.36Å; A46-L49 PolarHBondContact O-N 3.24Å; A46-G50 PolarHBondContact O-N 2.87Å; A46-M174 HydrophobicContact CB-SD 4.43Å
47	Q	93.8	Very high	92.4	Very high	129 Å²	129	56 Å²	56	60%	0.603	30%	0.301	S	S	*	.	H	α-helix	trans	-61.9	-38.1	174.2	-73	-179.3	-12.8	0	0	112.2	K43 V44 G45 G50 K51	K43-Q47 WeakPolarHBondContact O-CG 3.24Å; K43-Q47 PolarHBondContact O-N 3.31Å; V44-Q47 PolarHBondContact O-N 3.07Å; G45-Q47 PolarHBondContact O-N 2.96Å; Q47-G50 PolarHBondContact O-N 2.87Å; Q47-K51 WeakPolarHBondContact O-CG 3.33Å; Q47-K51 PolarHBondContact O-N 3.41Å; Q47-K51 VanDerWaalsContact O-N 3.08Å
48	T	93.6	Very high	92.3	Very high	53 Å²	53	57.2 Å²	57.2	33%	0.325	30%	0.304	S	S	.	.	H	α-helix	trans	-67.8	-44.4	179.1	-58.1	0	0	0	0	111.1	V44 G45 A46 G50 K51 L52 M178	V44-T48 WeakPolarHBondContact O-CB 3.48Å; V44-T48 PolarHBondContact O-N 2.94Å; V44-T48 PolarHBondContact O-OG1 2.88Å; G45-T48 WeakPolarHBondContact O-CB 3.34Å; G45-T48 PolarHBondContact O-N 3.35Å; G45-T48 VanDerWaalsContact O-N 3.14Å; A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 PolarHBondContact O-N 3.36Å; T48-G50 PolarHBondContact O-N 3.06Å; T48-K51 WeakPolarHBondContact O-CB 3.43Å; T48-K51 PolarHBondContact O-N 3.5Å; T48-L52 HydrophobicContact CG2-CD1 4.3Å; T48-L52 WeakPolarHBondContact O-CG 3.47Å; T48-L52 PolarHBondContact O-N 3.36Å; T48-M178 HydrophobicContact CG2-SD 3.66Å
49	L	91.7	Very high	92.1	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-45.4	173	-82.3	168.8	0	0	0	112.1	G45 A46 K51 L52 E53 Y126 M174 D177 M178	G45-L49 PolarHBondContact O-N 2.98Å; A46-L49 PolarHBondContact O-N 3.24Å; L49-K51 VanDerWaalsContact C-N 3.29Å; L49-K51 PolarHBondContact O-N 2.9Å; L49-L52 PolarHBondContact O-N 3.39Å; L49-L52 VanDerWaalsContact O-N 3.1Å; L49-E53 PolarHBondContact O-N 2.93Å; L49-Y126 HydrophobicContact CB-CD2 4.13Å; L49-Y126 HydrophobicContact CB-CG 4.34Å; L49-Y126 HydrophobicContact CD1-CD1 3.91Å; L49-Y126 HydrophobicContact CD1-CD2 4.02Å; L49-Y126 HydrophobicContact CD1-CE1 4.25Å; L49-Y126 HydrophobicContact CD1-CE2 4.34Å; L49-Y126 HydrophobicContact CD1-CG 3.84Å; L49-Y126 HydrophobicContact CD2-CD2 4.06Å; L49-Y126 HydrophobicContact CD2-CE2 3.98Å; L49-Y126 HydrophobicContact CG-CD2 4.32Å; L49-M174 HydrophobicContact CD1-CB 3.63Å; L49-M174 HydrophobicContact CD1-CG 3.46Å; L49-M174 VanDerWaalsContact CD1-CG 3.46Å; L49-M174 HydrophobicContact CD1-SD 3.93Å; L49-D177 HydrophobicContact CD2-CB 3.97Å; L49-M178 HydrophobicContact CD2-CB 4.31Å; L49-M178 HydrophobicContact CD2-CG 3.4Å; L49-M178 HydrophobicContact CG-CG 3.71Å
50	G	91.2	Very high	92	Very high	36 Å²	36	58.5 Å²	58.5	37%	0.371	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-36.6	176.4	0	0	0	0	0	113.2	A46 Q47 T48 S54	A46-G50 PolarHBondContact O-N 2.87Å; Q47-G50 PolarHBondContact O-N 2.87Å; T48-G50 PolarHBondContact O-N 3.06Å; G50-S54 PolarHBondContact O-N 3.17Å; G50-S54 VanDerWaalsContact O-N 3.14Å
51	K	92.8	Very high	91.8	Very high	137 Å²	137	55.2 Å²	55.2	60%	0.596	30%	0.296	S	S	*	.	H	α-helix	trans	-68.3	-38.7	173.5	-73.1	176.8	-178	177.6	0	112.2	Q47 T48 L49 Q55	Q47-K51 WeakPolarHBondContact O-CG 3.33Å; Q47-K51 PolarHBondContact O-N 3.41Å; Q47-K51 VanDerWaalsContact O-N 3.08Å; T48-K51 WeakPolarHBondContact O-CB 3.43Å; T48-K51 PolarHBondContact O-N 3.5Å; L49-K51 VanDerWaalsContact C-N 3.29Å; L49-K51 PolarHBondContact O-N 2.9Å; K51-Q55 WeakPolarHBondContact O-CB 3.36Å; K51-Q55 VanDerWaalsContact O-CG 3.26Å; K51-Q55 WeakPolarHBondContact O-CG 3.27Å; K51-Q55 PolarHBondContact O-N 2.87Å; K51-Q55 PolarHBondContact O-NE2 2.94Å
52	L	91.9	Very high	91.7	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-44.3	176.8	-73.2	169.5	0	0	0	110.6	T48 L49 S54 Q55 G56 M178 E181 I182 H185	T48-L52 HydrophobicContact CG2-CD1 4.3Å; T48-L52 WeakPolarHBondContact O-CG 3.47Å; T48-L52 PolarHBondContact O-N 3.36Å; L49-L52 PolarHBondContact O-N 3.39Å; L49-L52 VanDerWaalsContact O-N 3.1Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.32Å; L52-Q55 CarbonylContact O-C 3.59Å; L52-Q55 WeakPolarHBondContact O-CB 3.49Å; L52-Q55 PolarHBondContact O-N 3.28Å; L52-Q55 VanDerWaalsContact O-N 3.15Å; L52-G56 PolarHBondContact O-N 3.06Å; L52-M178 HydrophobicContact CD1-CB 3.93Å; L52-M178 HydrophobicContact CD1-CG 3.66Å; L52-M178 HydrophobicContact CD1-SD 4.26Å; L52-E181 HydrophobicContact CB-CB 4.49Å; L52-I182 HydrophobicContact CD1-CG1 4.49Å; L52-I182 HydrophobicContact CD2-CG1 4.18Å; L52-H185 PolarHBondContact O-CE1 3.45Å; L52-H185 PolarHBondContact O-NE2 3.42Å
53	E	88.7	Confident	91.6	Very high	38 Å²	38	56.2 Å²	56.2	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-46.8	176.5	-173.6	-174.3	164.7	0	0	111.7	L49 Q55 G56 Q57 V123	L49-E53 PolarHBondContact O-N 2.93Å; E53-Q55 PolarHBondContact O-N 2.82Å; E53-G56 PolarHBondContact O-N 2.89Å; E53-Q57 WeakPolarHBondContact O-CG 3.5Å; E53-Q57 PolarHBondContact O-N 2.73Å; E53-V123 HydrophobicContact CG-CG1 3.79Å; E53-V123 WeakPolarHBondContact OE1-CG1 3.41Å
54	S	91.6	Very high	91.4	Very high	53 Å²	53	53.9 Å²	53.9	37%	0.371	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-43.1	176.3	-175.4	0	0	0	0	112.1	G50 L52 G56 Q57 Q58	G50-S54 PolarHBondContact O-N 3.17Å; G50-S54 VanDerWaalsContact O-N 3.14Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.32Å; S54-G56 VanDerWaalsContact C-N 3.33Å; S54-G56 PolarHBondContact O-N 3.19Å; S54-Q57 PolarHBondContact O-N 2.92Å; S54-Q58 WeakPolarHBondContact O-CG 3.46Å; S54-Q58 PolarHBondContact O-N 3.44Å
55	Q	90.4	Very high	91.4	Very high	69 Å²	69	54.8 Å²	54.8	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-40.9	174.2	-75.8	168.2	68.5	0	0	111.6	K51 L52 E53 Q57 Q58 L59	K51-Q55 WeakPolarHBondContact O-CB 3.36Å; K51-Q55 VanDerWaalsContact O-CG 3.26Å; K51-Q55 WeakPolarHBondContact O-CG 3.27Å; K51-Q55 PolarHBondContact O-N 2.87Å; K51-Q55 PolarHBondContact O-NE2 2.94Å; L52-Q55 CarbonylContact O-C 3.59Å; L52-Q55 WeakPolarHBondContact O-CB 3.49Å; L52-Q55 PolarHBondContact O-N 3.28Å; L52-Q55 VanDerWaalsContact O-N 3.15Å; E53-Q55 PolarHBondContact O-N 2.82Å; Q55-Q57 VanDerWaalsContact C-N 3.33Å; Q55-Q57 PolarHBondContact O-N 3.42Å; Q55-Q58 WeakPolarHBondContact O-CB 3.47Å; Q55-Q58 PolarHBondContact O-N 3.28Å; Q55-L59 WeakPolarHBondContact O-CG 3.21Å; Q55-L59 PolarHBondContact O-N 3.21Å
56	G	90.7	Very high	91.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-39.9	177.3	0	0	0	0	0	112.6	L52 E53 S54 L59 R60 H185	L52-G56 PolarHBondContact O-N 3.06Å; E53-G56 PolarHBondContact O-N 2.89Å; S54-G56 VanDerWaalsContact C-N 3.33Å; S54-G56 PolarHBondContact O-N 3.19Å; G56-L59 PolarHBondContact O-N 3.42Å; G56-R60 WeakPolarHBondContact O-CG 3.32Å; G56-R60 PolarHBondContact O-N 3.47Å; G56-R60 PolarHBondContact O-NE 3.03Å; G56-H185 WeakPolarHBondContact CA-NE2 3.35Å; G56-H185 PolarHBondContact N-NE2 3.47Å
57	Q	89.7	Confident	91.3	Very high	106 Å²	106	55.9 Å²	55.9	50%	0.495	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-44.2	173	-68.2	177.4	4.9	0	0	111.8	E53 S54 Q55 L59 R60 G61	E53-Q57 WeakPolarHBondContact O-CG 3.5Å; E53-Q57 PolarHBondContact O-N 2.73Å; S54-Q57 PolarHBondContact O-N 2.92Å; Q55-Q57 VanDerWaalsContact C-N 3.33Å; Q55-Q57 PolarHBondContact O-N 3.42Å; Q57-L59 PolarHBondContact O-N 3.5Å; Q57-R60 PolarHBondContact O-N 3.5Å; Q57-G61 PolarHBondContact O-N 3.28Å
58	Q	92.8	Very high	91.3	Very high	117 Å²	117	53.6 Å²	53.6	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-43.6	176.5	-69.5	173.6	28.1	0	0	111.8	S54 Q55 R60 G61 I62	S54-Q58 WeakPolarHBondContact O-CG 3.46Å; S54-Q58 PolarHBondContact O-N 3.44Å; Q55-Q58 WeakPolarHBondContact O-CB 3.47Å; Q55-Q58 PolarHBondContact O-N 3.28Å; Q58-R60 PolarHBondContact O-N 2.83Å; Q58-G61 WeakPolarHBondContact O-CA 3.31Å; Q58-G61 PolarHBondContact O-N 2.95Å; Q58-G61 VanDerWaalsContact O-N 3.16Å; Q58-I62 WeakPolarHBondContact O-CG1 3.44Å; Q58-I62 PolarHBondContact O-N 3.03Å
59	L	92.1	Very high	91.3	Very high	25 Å²	25	53.4 Å²	53.4	13%	0.131	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-40.6	176.9	-72	174.6	0	0	0	111.9	Q55 G56 Q57 G61 I62 D63 H185 I188 L189 I192	Q55-L59 WeakPolarHBondContact O-CG 3.21Å; Q55-L59 PolarHBondContact O-N 3.21Å; G56-L59 PolarHBondContact O-N 3.42Å; Q57-L59 PolarHBondContact O-N 3.5Å; L59-G61 VanDerWaalsContact C-N 3.32Å; L59-I62 PolarHBondContact O-N 3.33Å; L59-D63 VanDerWaalsContact O-CB 3.31Å; L59-D63 WeakPolarHBondContact O-CB 3.35Å; L59-D63 PolarHBondContact O-N 2.81Å; L59-H185 HydrophobicContact CD1-CB 3.7Å; L59-I188 HydrophobicContact CB-CG2 3.86Å; L59-L189 HydrophobicContact CD1-CG 4.37Å; L59-L189 HydrophobicContact CD2-CD2 3.6Å; L59-L189 HydrophobicContact CD2-CG 4.14Å; L59-I192 HydrophobicContact CD2-CD1 4.07Å
60	R	90	Very high	91.3	Very high	84 Å²	84	56.7 Å²	56.7	32%	0.317	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-38.3	173.3	-73.7	-176.9	-72.7	-92.6	4.8	112	G56 Q57 Q58 D63 S64 I188	G56-R60 WeakPolarHBondContact O-CG 3.32Å; G56-R60 PolarHBondContact O-N 3.47Å; G56-R60 PolarHBondContact O-NE 3.03Å; Q57-R60 PolarHBondContact O-N 3.5Å; Q58-R60 PolarHBondContact O-N 2.83Å; R60-D63 PolarHBondContact O-N 3.26Å; R60-S64 PolarHBondContact O-N 3.14Å; R60-I188 HydrophobicContact CG-CD1 3.94Å
61	G	90.6	Very high	91.3	Very high	30 Å²	30	59.4 Å²	59.4	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-54.2	172.6	0	0	0	0	0	111.7	Q57 Q58 L59 D63 S64 D65	Q57-G61 PolarHBondContact O-N 3.28Å; Q58-G61 WeakPolarHBondContact O-CA 3.31Å; Q58-G61 PolarHBondContact O-N 2.95Å; Q58-G61 VanDerWaalsContact O-N 3.16Å; L59-G61 VanDerWaalsContact C-N 3.32Å; G61-D63 VanDerWaalsContact C-N 3.29Å; G61-D63 PolarHBondContact O-N 3.22Å; G61-S64 CarbonylContact O-C 3.57Å; G61-S64 WeakPolarHBondContact O-CA 3.27Å; G61-S64 WeakPolarHBondContact O-CB 3.47Å; G61-S64 PolarHBondContact O-N 2.95Å; G61-D65 VanDerWaalsContact O-CG 3.31Å; G61-D65 PolarHBondContact O-N 3.26Å
62	I	91.6	Very high	91.3	Very high	62 Å²	62	57.6 Å²	57.6	32%	0.318	30%	0.297	S	S	.	.	H	α-helix	trans	-58.4	-42.5	178.2	-65.4	165.2	0	0	0	111.2	Q58 L59 S64 D65 M66 I192	Q58-I62 WeakPolarHBondContact O-CG1 3.44Å; Q58-I62 PolarHBondContact O-N 3.03Å; L59-I62 PolarHBondContact O-N 3.33Å; I62-S64 VanDerWaalsContact C-N 3.29Å; I62-S64 PolarHBondContact O-N 2.86Å; I62-D65 PolarHBondContact O-N 2.77Å; I62-M66 HydrophobicContact CG2-CE 4.31Å; I62-M66 WeakPolarHBondContact O-CG 3.39Å; I62-M66 PolarHBondContact O-N 3.48Å; I62-I192 HydrophobicContact CB-CD1 4.07Å; I62-I192 HydrophobicContact CG2-CD1 3.83Å; I62-I192 HydrophobicContact CG2-CG1 4.25Å; I62-I192 HydrophobicContact CG2-CG2 4.02Å
63	D	89.7	Confident	91.3	Very high	15 Å²	15	57.4 Å²	57.4	8%	0.08	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-37.8	177.6	-178.1	67	0	0	0	112.7	L59 R60 G61 D67 I188 R191 I192 K195	L59-D63 VanDerWaalsContact O-CB 3.31Å; L59-D63 WeakPolarHBondContact O-CB 3.35Å; L59-D63 PolarHBondContact O-N 2.81Å; R60-D63 PolarHBondContact O-N 3.26Å; G61-D63 VanDerWaalsContact C-N 3.29Å; G61-D63 PolarHBondContact O-N 3.22Å; D63-D67 PolarHBondContact O-N 3.36Å; D63-I188 HydrophobicContact CB-CG2 4.11Å; D63-R191 VanDerWaalsContact CG-NH2 3.26Å; D63-R191 IonicContact OD1-CZ 3.8Å; D63-R191 IonicContact OD1-NE 3.4Å; D63-R191 PolarHBondContact OD1-NE 3.01Å; D63-R191 IonicContact OD1-NH2 2.59Å; D63-R191 IonicContact OD2-CZ 3.73Å; D63-R191 IonicContact OD2-NE 2.66Å; D63-R191 PolarHBondContact OD2-NE 2.8Å; D63-R191 IonicContact OD2-NH2 3.01Å; D63-R191 PolarHBondContact OD2-NH2 2.69Å; D63-I192 HydrophobicContact CB-CD1 4.24Å; D63-I192 HydrophobicContact CB-CG1 3.88Å; D63-K195 PolarHBondContact O-NZ 3.34Å; D63-K195 WeakPolarHBondContact OD1-CD 3.43Å; D63-K195 WeakPolarHBondContact OD1-CE 3.26Å; D63-K195 IonicContact OD1-NZ 2.77Å; D63-K195 PolarHBondContact OD1-NZ 2.94Å; D63-K195 IonicContact OD2-NZ 3.61Å; D63-K195 PolarHBondContact OD2-NZ 3.22Å
64	S	89.8	Confident	91.4	Very high	57 Å²	57	58.1 Å²	58.1	40%	0.399	30%	0.299	S	S	.	.	H	α-helix	trans	-70.5	-39.6	172	-170.9	0	0	0	0	111.9	R60 G61 I62 M66 D67 N68	R60-S64 PolarHBondContact O-N 3.14Å; G61-S64 CarbonylContact O-C 3.57Å; G61-S64 WeakPolarHBondContact O-CA 3.27Å; G61-S64 WeakPolarHBondContact O-CB 3.47Å; G61-S64 PolarHBondContact O-N 2.95Å; I62-S64 VanDerWaalsContact C-N 3.29Å; I62-S64 PolarHBondContact O-N 2.86Å; S64-M66 PolarHBondContact O-N 3.29Å; S64-D67 WeakPolarHBondContact O-CA 3.46Å; S64-D67 WeakPolarHBondContact O-CB 3.46Å; S64-D67 PolarHBondContact O-N 2.66Å; S64-N68 PolarHBondContact O-N 3.4Å
65	D	93.4	Very high	91.3	Very high	82 Å²	82	60.1 Å²	60.1	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-63.2	-33.4	176.9	-67.9	-25.3	0	0	0	111.2	G61 I62 D67 N68 I69	G61-D65 VanDerWaalsContact O-CG 3.31Å; G61-D65 PolarHBondContact O-N 3.26Å; I62-D65 PolarHBondContact O-N 2.77Å; D65-D67 VanDerWaalsContact C-N 3.28Å; D65-D67 PolarHBondContact O-N 2.98Å; D65-N68 WeakPolarHBondContact O-CB 3.46Å; D65-N68 PolarHBondContact O-N 2.88Å; D65-I69 VanDerWaalsContact O-CG1 3.28Å; D65-I69 WeakPolarHBondContact O-CG1 3.39Å; D65-I69 PolarHBondContact O-N 2.91Å
66	M	91.3	Very high	91.3	Very high	9 Å²	9	58.6 Å²	58.6	4%	0.044	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-33.6	171.6	-69.9	-52.1	101	0	0	112.4	I62 S64 I69 R70 Y106 I192 K195 A196 N199 L228	I62-M66 HydrophobicContact CG2-CE 4.31Å; I62-M66 WeakPolarHBondContact O-CG 3.39Å; I62-M66 PolarHBondContact O-N 3.48Å; S64-M66 PolarHBondContact O-N 3.29Å; M66-I69 HydrophobicContact CE-CD1 3.51Å; M66-I69 HydrophobicContact SD-CD1 4.36Å; M66-R70 WeakPolarHBondContact O-CB 3.39Å; M66-R70 PolarHBondContact O-N 3.28Å; M66-R70 VanDerWaalsContact O-N 3.16Å; M66-Y106 PolarHBondContact O-OH 3.22Å; M66-I192 HydrophobicContact CG-CG2 4.42Å; M66-K195 HydrophobicContact CB-CB 3.71Å; M66-K195 HydrophobicContact CB-CD 3.68Å; M66-K195 HydrophobicContact CB-CG 4.34Å; M66-K195 HydrophobicContact CG-CB 4.04Å; M66-K195 HydrophobicContact CG-CD 4.45Å; M66-A196 HydrophobicContact SD-CB 4.25Å; M66-N199 PolarHBondContact O-ND2 2.83Å; M66-L228 HydrophobicContact CE-CD2 3.55Å; M66-L228 HydrophobicContact SD-CD2 3.52Å; M66-L228 VanDerWaalsContact SD-CD2 3.52Å
67	D	90.9	Very high	91.1	Very high	51 Å²	51	59.7 Å²	59.7	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-69	-38.8	172.6	-70.9	-42.8	0	0	0	111.6	D63 S64 D65 R70 E71 Y106 K195	D63-D67 PolarHBondContact O-N 3.36Å; S64-D67 WeakPolarHBondContact O-CA 3.46Å; S64-D67 WeakPolarHBondContact O-CB 3.46Å; S64-D67 PolarHBondContact O-N 2.66Å; D65-D67 VanDerWaalsContact C-N 3.28Å; D65-D67 PolarHBondContact O-N 2.98Å; D67-R70 WeakPolarHBondContact O-CB 3.4Å; D67-R70 PolarHBondContact O-N 3.23Å; D67-R70 IonicContact OD1-NH2 3.4Å; D67-E71 PolarHBondContact O-N 2.84Å; D67-Y106 WeakPolarHBondContact CA-OH 3.17Å; D67-Y106 PolarHBondContact N-OH 2.81Å; D67-Y106 WeakPolarHBondContact OD1-CE1 3.47Å; D67-Y106 VanDerWaalsContact OD1-CZ 3.23Å; D67-Y106 PolarHBondContact OD1-OH 2.83Å; D67-K195 WeakPolarHBondContact OD1-CE 3.38Å; D67-K195 IonicContact OD1-NZ 2.98Å; D67-K195 PolarHBondContact OD1-NZ 2.82Å; D67-K195 IonicContact OD2-NZ 3.26Å; D67-K195 PolarHBondContact OD2-NZ 3.37Å
68	N	93	Very high	91	Very high	81 Å²	81	60.6 Å²	60.6	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-50.3	175.9	-63.1	-28.3	0	0	0	111.3	S64 D65 R70 E71 D72	S64-N68 PolarHBondContact O-N 3.4Å; D65-N68 WeakPolarHBondContact O-CB 3.46Å; D65-N68 PolarHBondContact O-N 2.88Å; N68-R70 PolarHBondContact O-N 3.4Å; N68-E71 PolarHBondContact O-N 2.82Å; N68-D72 PolarHBondContact O-N 2.76Å
69	I	93.1	Very high	90.7	Very high	48 Å²	48	58.8 Å²	58.8	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-56.5	-38.5	177.4	-69.9	167.5	0	0	0	110.9	D65 M66 D72 L73 N199 L228	D65-I69 VanDerWaalsContact O-CG1 3.28Å; D65-I69 WeakPolarHBondContact O-CG1 3.39Å; D65-I69 PolarHBondContact O-N 2.91Å; M66-I69 HydrophobicContact CE-CD1 3.51Å; M66-I69 HydrophobicContact SD-CD1 4.36Å; I69-D72 PolarHBondContact O-N 3.4Å; I69-L73 HydrophobicContact CG2-CD1 3.82Å; I69-L73 HydrophobicContact CG2-CG 4.29Å; I69-L73 WeakPolarHBondContact O-CB 3.33Å; I69-L73 WeakPolarHBondContact O-CG 3.33Å; I69-L73 PolarHBondContact O-N 2.89Å; I69-N199 HydrophobicContact CG2-CB 4.03Å; I69-L228 HydrophobicContact CD1-CD2 4.12Å
70	R	91.4	Very high	90.4	Very high	71 Å²	71	58.7 Å²	58.7	27%	0.268	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-45.5	175.9	173	172.6	63.9	124.9	7.3	111.7	M66 D67 N68 L73 H74 Y106 Y198 N199	M66-R70 WeakPolarHBondContact O-CB 3.39Å; M66-R70 PolarHBondContact O-N 3.28Å; M66-R70 VanDerWaalsContact O-N 3.16Å; D67-R70 WeakPolarHBondContact O-CB 3.4Å; D67-R70 PolarHBondContact O-N 3.23Å; D67-R70 IonicContact OD1-NH2 3.4Å; N68-R70 PolarHBondContact O-N 3.4Å; R70-L73 PolarHBondContact O-N 3.4Å; R70-H74 PolarHBondContact O-CD2 3.07Å; R70-H74 PolarHBondContact O-N 2.92Å; R70-Y106 HydrophobicContact CB-CE2 4.21Å; R70-Y106 HydrophobicContact CG-CE2 4.4Å; R70-Y106 VanDerWaalsContact CZ-CE1 3.41Å; R70-Y106 VanDerWaalsContact NE-CZ 3.3Å; R70-Y198 HydrophobicContact CG-CD1 4.4Å; R70-Y198 HydrophobicContact CG-CE1 3.84Å; R70-N199 WeakPolarHBondContact CB-OD1 3.49Å
71	E	91.5	Very high	90	Very high	94 Å²	94	58.9 Å²	58.9	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-44.3	179	-172.7	56.3	-140.7	0	0	110.9	D67 N68 L73 H74 E75 R78	D67-E71 PolarHBondContact O-N 2.84Å; N68-E71 PolarHBondContact O-N 2.82Å; E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 PolarHBondContact O-N 2.87Å; E71-H74 CarbonylContact O-C 3.58Å; E71-H74 WeakPolarHBondContact O-CA 3.48Å; E71-H74 WeakPolarHBondContact O-CB 3.39Å; E71-H74 PolarHBondContact O-N 3.01Å; E71-E75 PolarHBondContact O-N 3.4Å; E71-R78 IonicContact OE1-NH1 3.72Å; E71-R78 IonicContact OE1-NH2 3.64Å; E71-R78 PolarHBondContact OE1-NH2 2.87Å
72	D	94.2	Very high	89.6	Confident	98 Å²	98	63.9 Å²	63.9	52%	0.524	32%	0.322	S	S	.	.	H	α-helix	trans	-58.5	-40.2	176.2	-64.8	-14.5	0	0	0	111.5	N68 I69 E75 A76	N68-D72 PolarHBondContact O-N 2.76Å; I69-D72 PolarHBondContact O-N 3.4Å; D72-E75 PolarHBondContact O-N 2.92Å; D72-A76 WeakPolarHBondContact O-CB 3.33Å; D72-A76 PolarHBondContact O-N 3.22Å
73	L	91.1	Very high	89.1	Confident	16 Å²	16	66 Å²	66	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-36.2	175.6	-74.5	171.5	0	0	0	112.4	I69 R70 E71 Q77 N199 Q202 L203	I69-L73 HydrophobicContact CG2-CD1 3.82Å; I69-L73 HydrophobicContact CG2-CG 4.29Å; I69-L73 WeakPolarHBondContact O-CB 3.33Å; I69-L73 WeakPolarHBondContact O-CG 3.33Å; I69-L73 PolarHBondContact O-N 2.89Å; R70-L73 PolarHBondContact O-N 3.4Å; E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 PolarHBondContact O-N 2.87Å; L73-Q77 WeakPolarHBondContact O-CB 3.4Å; L73-Q77 WeakPolarHBondContact O-CG 3.28Å; L73-Q77 PolarHBondContact O-N 3.02Å; L73-N199 HydrophobicContact CD1-CB 4.01Å; L73-N199 VanDerWaalsContact CD1-O 3.26Å; L73-N199 WeakPolarHBondContact CD1-O 3.02Å; L73-Q202 HydrophobicContact CB-CB 4.3Å; L73-Q202 HydrophobicContact CD1-CB 3.9Å; L73-L203 HydrophobicContact CD1-CB 4.2Å; L73-L203 HydrophobicContact CD2-CB 3.87Å; L73-L203 HydrophobicContact CD2-CD1 3.8Å; L73-L203 HydrophobicContact CD2-CG 4.45Å
74	H	90	Very high	88.4	Confident	53 Å²	53	66 Å²	66	25%	0.245	33%	0.333	C	S	.	.	H	α-helix	trans	-66.9	-39.3	172.8	-82.4	-59.4	0	0	0	111.8	R70 E71 Q77 R78 Y198	R70-H74 PolarHBondContact O-CD2 3.07Å; R70-H74 PolarHBondContact O-N 2.92Å; E71-H74 CarbonylContact O-C 3.58Å; E71-H74 WeakPolarHBondContact O-CA 3.48Å; E71-H74 WeakPolarHBondContact O-CB 3.39Å; E71-H74 PolarHBondContact O-N 3.01Å; H74-Q77 PolarHBondContact O-N 2.91Å; H74-R78 WeakPolarHBondContact O-CG 3.45Å; H74-R78 PolarHBondContact O-N 3.32Å; H74-Y198 PolarHBondContact CE1-OH 2.97Å; H74-Y198 PolarHBondContact NE2-OH 3.06Å
75	E	90.7	Very high	87.7	Confident	94 Å²	94	67.5 Å²	67.5	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-51.9	173.9	-170.5	167.5	-174.9	0	0	111.5	E71 D72 Q77 R78 D79	E71-E75 PolarHBondContact O-N 3.4Å; D72-E75 PolarHBondContact O-N 2.92Å; E75-Q77 PolarHBondContact O-N 3.01Å; E75-R78 WeakPolarHBondContact O-CA 3.48Å; E75-R78 WeakPolarHBondContact O-CB 3.41Å; E75-R78 PolarHBondContact O-N 2.75Å; E75-D79 PolarHBondContact O-N 3.2Å
76	A	90.2	Very high	86.2	Confident	37 Å²	37	67.4 Å²	67.4	31%	0.306	34%	0.337	S	S	.	.	H	α-helix	trans	-56.8	-37.3	176.2	0	0	0	0	0	112.4	D72 D79 L80	D72-A76 WeakPolarHBondContact O-CB 3.33Å; D72-A76 PolarHBondContact O-N 3.22Å; A76-D79 PolarHBondContact O-N 3.39Å; A76-L80 WeakPolarHBondContact O-CB 3.45Å; A76-L80 WeakPolarHBondContact O-CG 3.47Å; A76-L80 PolarHBondContact O-N 3.07Å
77	Q	86.8	Confident	84.8	Confident	24 Å²	24	72.1 Å²	72.1	11%	0.112	37%	0.37	C	S	.	.	H	α-helix	trans	-63.7	-40.5	175.3	-78.8	172.8	1.6	0	0	112.8	L73 H74 E75 L80 D81 Q202 F205 A206 K209	L73-Q77 WeakPolarHBondContact O-CB 3.4Å; L73-Q77 WeakPolarHBondContact O-CG 3.28Å; L73-Q77 PolarHBondContact O-N 3.02Å; H74-Q77 PolarHBondContact O-N 2.91Å; E75-Q77 PolarHBondContact O-N 3.01Å; Q77-L80 PolarHBondContact O-N 3.4Å; Q77-D81 PolarHBondContact O-N 2.91Å; Q77-Q202 PolarHBondContact NE2-O 3.39Å; Q77-Q202 VanDerWaalsContact OE1-NE2 3.12Å; Q77-F205 HydrophobicContact CG-CD1 4.26Å; Q77-F205 HydrophobicContact CG-CE1 4.46Å; Q77-A206 HydrophobicContact CG-CB 4.28Å; Q77-K209 PolarHBondContact O-NZ 2.92Å
78	R	86.2	Confident	83.4	Confident	125 Å²	125	72.6 Å²	72.6	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-44.1	175.2	-68.8	-177.1	-62.9	-102.9	10.5	111	E71 H74 E75 L80 D81 E82	E71-R78 IonicContact OE1-NH1 3.72Å; E71-R78 IonicContact OE1-NH2 3.64Å; E71-R78 PolarHBondContact OE1-NH2 2.87Å; H74-R78 WeakPolarHBondContact O-CG 3.45Å; H74-R78 PolarHBondContact O-N 3.32Å; E75-R78 WeakPolarHBondContact O-CA 3.48Å; E75-R78 WeakPolarHBondContact O-CB 3.41Å; E75-R78 PolarHBondContact O-N 2.75Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 3.04Å; R78-D81 CarbonylContact O-C 3.59Å; R78-D81 WeakPolarHBondContact O-CA 3.39Å; R78-D81 WeakPolarHBondContact O-CB 3.48Å; R78-D81 PolarHBondContact O-N 3.5Å; R78-E82 PolarHBondContact O-N 3.41Å
79	D	87.6	Confident	82.1	Confident	79 Å²	79	76.3 Å²	76.3	42%	0.422	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-43.1	177.7	-67	-9.5	0	0	0	111.2	E75 A76 D81 E82 I83	E75-D79 PolarHBondContact O-N 3.2Å; A76-D79 PolarHBondContact O-N 3.39Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 2.91Å; D79-E82 WeakPolarHBondContact O-CB 3.33Å; D79-E82 PolarHBondContact O-N 3.17Å; D79-E82 VanDerWaalsContact O-N 3.15Å; D79-I83 VanDerWaalsContact O-CG1 3.29Å; D79-I83 WeakPolarHBondContact O-CG1 3.49Å; D79-I83 PolarHBondContact O-N 3.46Å
80	L	85.1	Confident	80.7	Confident	22 Å²	22	77.9 Å²	77.9	12%	0.115	42%	0.42	C	S	.	.	H	α-helix	trans	-65.6	-31.9	174.3	-67	170.3	0	0	0	112.3	A76 Q77 R78 E82 D84 A206 K209 A210 I213	A76-L80 WeakPolarHBondContact O-CB 3.45Å; A76-L80 WeakPolarHBondContact O-CG 3.47Å; A76-L80 PolarHBondContact O-N 3.07Å; Q77-L80 PolarHBondContact O-N 3.4Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 3.04Å; L80-E82 VanDerWaalsContact C-N 3.33Å; L80-D84 WeakPolarHBondContact O-CB 3.2Å; L80-D84 PolarHBondContact O-N 2.92Å; L80-D84 VanDerWaalsContact O-N 3.09Å; L80-A206 HydrophobicContact CD1-CB 4.05Å; L80-A206 VanDerWaalsContact CD1-O 3.24Å; L80-A206 WeakPolarHBondContact CD1-O 3.45Å; L80-K209 VanDerWaalsContact C-CE 3.49Å; L80-K209 HydrophobicContact CB-CD 3.69Å; L80-K209 HydrophobicContact CB-CG 4.14Å; L80-K209 HydrophobicContact CD1-CB 4.28Å; L80-K209 HydrophobicContact CD1-CD 4.28Å; L80-K209 HydrophobicContact CD1-CG 4.42Å; L80-K209 WeakPolarHBondContact O-CE 3.18Å; L80-A210 HydrophobicContact CD1-CB 4.29Å; L80-A210 HydrophobicContact CD2-CB 3.82Å; L80-I213 HydrophobicContact CB-CD1 4.22Å; L80-I213 HydrophobicContact CD2-CD1 3.86Å
81	D	82.8	Confident	79.1	Confident	88 Å²	88	77.7 Å²	77.7	47%	0.471	43%	0.426	S	S	.	.	H	α-helix	trans	-68.8	-34.2	172.7	-86.1	-37.7	0	0	0	111.7	Q77 R78 D79 K85 K209	Q77-D81 PolarHBondContact O-N 2.91Å; R78-D81 CarbonylContact O-C 3.59Å; R78-D81 WeakPolarHBondContact O-CA 3.39Å; R78-D81 WeakPolarHBondContact O-CB 3.48Å; R78-D81 PolarHBondContact O-N 3.5Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 2.91Å; D81-K85 WeakPolarHBondContact O-CG 3.42Å; D81-K209 VanDerWaalsContact CA-NZ 3.3Å; D81-K209 IonicContact OD1-NZ 3.63Å; D81-K209 PolarHBondContact OD1-NZ 2.94Å; D81-K209 IonicContact OD2-NZ 2.63Å; D81-K209 PolarHBondContact OD2-NZ 2.97Å
82	E	82.1	Confident	77.8	Confident	135 Å²	135	74.6 Å²	74.6	63%	0.631	41%	0.413	S	S	*	.	H	α-helix	trans	-69.8	-44.9	175	-171.1	168.5	174.1	0	0	111.5	R78 D79 L80 D84 K85	R78-E82 PolarHBondContact O-N 3.41Å; D79-E82 WeakPolarHBondContact O-CB 3.33Å; D79-E82 PolarHBondContact O-N 3.17Å; D79-E82 VanDerWaalsContact O-N 3.15Å; L80-E82 VanDerWaalsContact C-N 3.33Å; E82-D84 VanDerWaalsContact C-N 3.35Å; E82-D84 PolarHBondContact O-N 3.14Å; E82-K85 WeakPolarHBondContact O-CB 3.45Å; E82-K85 PolarHBondContact O-N 3.08Å
83	I	80.7	Confident	76.2	Confident	107 Å²	107	74.1 Å²	74.1	55%	0.549	42%	0.415	S	S	.	.	H	α-helix	trans	-65.6	-34	178.1	-63.9	164.1	0	0	0	112.1	D79 K85 I213	D79-I83 VanDerWaalsContact O-CG1 3.29Å; D79-I83 WeakPolarHBondContact O-CG1 3.49Å; D79-I83 PolarHBondContact O-N 3.46Å; I83-K85 PolarHBondContact O-N 3.46Å; I83-I213 HydrophobicContact CB-CD1 4.41Å; I83-I213 HydrophobicContact CG2-CD1 4.28Å; I83-I213 HydrophobicContact CG2-CG2 3.58Å
84	D	74.6	Confident	74.7	Confident	15 Å²	15	82.2 Å²	82.2	8%	0.08	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.7	179.1	-163.6	46.9	0	0	0	113.4	L80 E82 C86 R95 I213	L80-D84 WeakPolarHBondContact O-CB 3.2Å; L80-D84 PolarHBondContact O-N 2.92Å; L80-D84 VanDerWaalsContact O-N 3.09Å; E82-D84 VanDerWaalsContact C-N 3.35Å; E82-D84 PolarHBondContact O-N 3.14Å; D84-C86 PolarHBondContact O-N 3.42Å; D84-R95 WeakPolarHBondContact OD1-CB 3.22Å; D84-R95 WeakPolarHBondContact OD1-CD 3.27Å; D84-I213 HydrophobicContact CB-CD1 4.3Å
85	K	74.4	Confident	73.3	Confident	89 Å²	89	83.7 Å²	83.7	39%	0.387	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-76.9	101.9	174.6	-64.6	169	-170.4	170.7	0	110.1	D81 E82 I83 C87 V91	D81-K85 WeakPolarHBondContact O-CG 3.42Å; E82-K85 WeakPolarHBondContact O-CB 3.45Å; E82-K85 PolarHBondContact O-N 3.08Å; I83-K85 PolarHBondContact O-N 3.46Å; K85-C87 PolarHBondContact O-N 3.47Å; K85-C87 VanDerWaalsContact O-N 3.07Å; K85-V91 HydrophobicContact CG-CG2 4.27Å
86	C	62.1	Low	72	Confident	80 Å²	80	86 Å²	86	54%	0.541	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.2	-177.2	-174.7	0	0	0	0	115.3	D84 L92	D84-C86 PolarHBondContact O-N 3.42Å; C86-L92 HydrophobicContact CB-CD1 3.77Å; C86-L92 HydrophobicContact CB-CD2 3.93Å; C86-L92 HydrophobicContact CB-CG 3.74Å
87	C	63.6	Low	70.8	Confident	108 Å²	108	86.2 Å²	86.2	73%	0.73	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	31.3	-179.1	-60.1	0	0	0	0	112.6	K85 L89	K85-C87 PolarHBondContact O-N 3.47Å; K85-C87 VanDerWaalsContact O-N 3.07Å; C87-L89 PolarHBondContact O-N 3.04Å
88	G	59.5	Low	69.8	Low	60 Å²	60	93.6 Å²	93.6	62%	0.619	49%	0.485	S	S	*	.	S	Bend	trans	72.9	-27.7	-177.6	0	0	0	0	0	116.5
89	L	65.8	Low	68.8	Low	160 Å²	160	92 Å²	92	84%	0.838	49%	0.491	S	S	*	.	S	Bend	trans	-110.5	-28.5	-176.5	-163.3	68	0	0	0	114.9	C87	C87-L89 PolarHBondContact O-N 3.04Å
90	C	64.4	Low	67.6	Low	81 Å²	81	91.2 Å²	91.2	55%	0.547	49%	0.487	S	S	.	.			trans	-112.3	110.8	-175.7	-57.5	0	0	0	0	111.2	L92	C90-L92 PolarHBondContact O-N 2.84Å
91	V	58.6	Low	66.6	Low	67 Å²	67	97 Å²	97	41%	0.406	52%	0.524	S	S	.	.	B	Isolated β-bridge	trans	-67.8	122.2	161.7	176.9	0	0	0	0	107.1	K85 P93	K85-V91 HydrophobicContact CG-CG2 4.27Å; V91-P93 WeakPolarHBondContact O-CD 3.47Å; V91-P93 VanDerWaalsContact O-N 3.09Å
92	L	63.7	Low	65.9	Low	28 Å²	28	102 Å²	102	15%	0.147	54%	0.541	C	S	.	.			trans	-61.7	111.5	177	-68.3	168.8	0	0	0	108.7	C86 C90 W94 R95	C86-L92 HydrophobicContact CB-CD1 3.77Å; C86-L92 HydrophobicContact CB-CD2 3.93Å; C86-L92 HydrophobicContact CB-CG 3.74Å; C90-L92 PolarHBondContact O-N 2.84Å; L92-W94 HydrophobicContact CB-CD2 4.47Å; L92-W94 HydrophobicContact CB-CZ2 4.45Å; L92-W94 HydrophobicContact CD2-CH2 4.1Å; L92-W94 HydrophobicContact CD2-CZ2 3.38Å; L92-W94 HydrophobicContact CG-CZ2 4.44Å; L92-W94 PolarHBondContact O-N 2.82Å; L92-R95 HydrophobicContact CB-CB 4.17Å; L92-R95 HydrophobicContact CB-CG 3.86Å; L92-R95 HydrophobicContact CD1-CG 4.25Å; L92-R95 VanDerWaalsContact CD1-NE 3.32Å; L92-R95 PolarHBondContact O-N 2.91Å
93	P	60.2	Low	65.4	Low	88 Å²	88	98 Å²	98	57%	0.571	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-59	-28.4	-172.1	-24.6	33.5	0	0	0	113.7	V91 R95	V91-P93 WeakPolarHBondContact O-CD 3.47Å; V91-P93 VanDerWaalsContact O-N 3.09Å; P93-R95 VanDerWaalsContact C-N 3.29Å; P93-R95 PolarHBondContact O-N 2.96Å
94	W	60.7	Low	65.3	Low	186 Å²	186	95 Å²	95	71%	0.705	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-77.7	-7.7	177.9	45.4	92.8	0	0	0	114.2	L92 K212	L92-W94 HydrophobicContact CB-CD2 4.47Å; L92-W94 HydrophobicContact CB-CZ2 4.45Å; L92-W94 HydrophobicContact CD2-CH2 4.1Å; L92-W94 HydrophobicContact CD2-CZ2 3.38Å; L92-W94 HydrophobicContact CG-CZ2 4.44Å; L92-W94 PolarHBondContact O-N 2.82Å; W94-K212 PolarHBondContact O-NZ 2.85Å
95	R	59.4	Low	65.7	Low	85 Å²	85	101 Å²	101	32%	0.321	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-96.8	-10.7	-178.1	-66.9	-165	179.6	-141.7	0.2	115.6	D84 L92 P93 V97 K212	D84-R95 WeakPolarHBondContact OD1-CB 3.22Å; D84-R95 WeakPolarHBondContact OD1-CD 3.27Å; L92-R95 HydrophobicContact CB-CB 4.17Å; L92-R95 HydrophobicContact CB-CG 3.86Å; L92-R95 HydrophobicContact CD1-CG 4.25Å; L92-R95 VanDerWaalsContact CD1-NE 3.32Å; L92-R95 PolarHBondContact O-N 2.91Å; P93-R95 VanDerWaalsContact C-N 3.29Å; P93-R95 PolarHBondContact O-N 2.96Å; R95-V97 PolarHBondContact O-N 3.37Å; R95-K212 VanDerWaalsContact CA-NZ 3.34Å; R95-K212 WeakPolarHBondContact O-CE 3.42Å; R95-K212 PolarHBondContact O-NZ 3.22Å
96	K	64.4	Low	66.2	Low	143 Å²	143	97.4 Å²	97.4	62%	0.622	52%	0.523	S	S	*	.			trans	-54.2	112.6	-178.7	-61.4	-173.7	178.8	-172.8	0	112.7
97	V	64.3	Low	67	Low	41 Å²	41	94 Å²	94	25%	0.248	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-81	123.6	162.3	-173.3	0	0	0	0	106	R95 F205 K209 K212	R95-V97 PolarHBondContact O-N 3.37Å; V97-F205 HydrophobicContact CB-CE2 3.81Å; V97-F205 HydrophobicContact CB-CZ 4.26Å; V97-F205 HydrophobicContact CG1-CD2 3.78Å; V97-F205 HydrophobicContact CG1-CE2 3.45Å; V97-F205 VanDerWaalsContact CG1-CE2 3.45Å; V97-F205 HydrophobicContact CG1-CZ 4.34Å; V97-K209 HydrophobicContact CG2-CB 4.17Å; V97-K209 HydrophobicContact CG2-CG 4.38Å; V97-K212 HydrophobicContact CG2-CD 4.01Å
98	K	65.8	Low	67.3	Low	178 Å²	178	92.6 Å²	92.6	77%	0.774	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-77.8	136.6	175.5	-65.6	-177.5	-179.2	-178.6	0	108.1	D100	K98-D100 PolarHBondContact O-N 3.22Å
99	P	64.7	Low	67.2	Low	91 Å²	91	93 Å²	93	59%	0.591	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-59	139.2	171	25.9	-32.6	0	0	0	108.8	T101 F205	P99-T101 PolarHBondContact O-N 3.45Å; P99-F205 HydrophobicContact CB-CE2 4.46Å
100	D	62.9	Low	66.3	Low	64 Å²	64	88.5 Å²	88.5	34%	0.342	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-64.6	118.1	175.2	-74.1	-35.2	0	0	0	107.7	K98 K102 T103 K208	K98-D100 PolarHBondContact O-N 3.22Å; D100-K102 PolarHBondContact O-N 3.45Å; D100-T103 VanDerWaalsContact O-CG2 3.24Å; D100-T103 WeakPolarHBondContact O-CG2 3.39Å; D100-T103 PolarHBondContact O-N 3.41Å; D100-T103 VanDerWaalsContact O-N 3.14Å; D100-K208 IonicContact OD2-NZ 3.73Å; D100-K208 PolarHBondContact OD2-NZ 3.25Å
101	T	63.4	Low	65.2	Low	144 Å²	144	89 Å²	89	88%	0.883	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	1.1	-176.2	62.3	0	0	0	0	113.6	P99	P99-T101 PolarHBondContact O-N 3.45Å
102	K	68.7	Low	64.5	Low	191 Å²	191	89.4 Å²	89.4	83%	0.83	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	6.2	-178.9	-61.8	-175	-179.7	-178.4	0	112.8	D100 P104	D100-K102 PolarHBondContact O-N 3.45Å; K102-P104 WeakPolarHBondContact O-CD 3.48Å; K102-P104 VanDerWaalsContact O-N 3.13Å
103	T	71.9	Confident	63.5	Low	51 Å²	51	92.1 Å²	92.1	31%	0.313	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-54.3	120.6	175	55.1	0	0	0	0	108.7	D100 S201	D100-T103 VanDerWaalsContact O-CG2 3.24Å; D100-T103 WeakPolarHBondContact O-CG2 3.39Å; D100-T103 PolarHBondContact O-N 3.41Å; D100-T103 VanDerWaalsContact O-N 3.14Å; T103-S201 WeakPolarHBondContact CG2-OG 3.24Å
104	P	77.5	Confident	62.6	Low	44 Å²	44	93.7 Å²	93.7	29%	0.286	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-60.6	157.9	177.2	24	-31.2	0	0	0	110	K102 Q197 Y198	K102-P104 WeakPolarHBondContact O-CD 3.48Å; K102-P104 VanDerWaalsContact O-N 3.13Å; P104-Q197 HydrophobicContact CG-CB 4.04Å; P104-Y198 WeakPolarHBondContact O-CD2 3.24Å
105	K	83.5	Confident	61.6	Low	141 Å²	141	86.5 Å²	86.5	61%	0.613	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-77	131.6	175.6	-174.5	178.3	178.6	-172.6	0	109	N111	K105-N111 PolarHBondContact NZ-ND2 2.84Å; K105-N111 PolarHBondContact NZ-OD1 2.72Å
106	Y	84.7	Confident	60.7	Low	15 Å²	15	84.5 Å²	84.5	6%	0.059	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-62.6	132.3	173.5	-162.3	-101	0	0	0	110.9	M66 D67 R70 T108 K195 Y198	M66-Y106 PolarHBondContact O-OH 3.22Å; D67-Y106 WeakPolarHBondContact CA-OH 3.17Å; D67-Y106 PolarHBondContact N-OH 2.81Å; D67-Y106 WeakPolarHBondContact OD1-CE1 3.47Å; D67-Y106 VanDerWaalsContact OD1-CZ 3.23Å; D67-Y106 PolarHBondContact OD1-OH 2.83Å; R70-Y106 HydrophobicContact CB-CE2 4.21Å; R70-Y106 HydrophobicContact CG-CE2 4.4Å; R70-Y106 VanDerWaalsContact CZ-CE1 3.41Å; R70-Y106 VanDerWaalsContact NE-CZ 3.3Å; Y106-T108 PolarHBondContact O-N 3.27Å; Y106-K195 HydrophobicContact CD2-CB 4.47Å; Y106-K195 HydrophobicContact CD2-CG 4.35Å; Y106-K195 HydrophobicContact CE1-CD 4.36Å; Y106-K195 HydrophobicContact CE1-CG 4.11Å; Y106-K195 HydrophobicContact CE2-CB 3.63Å; Y106-K195 HydrophobicContact CE2-CD 4.33Å; Y106-K195 HydrophobicContact CE2-CG 3.59Å; Y106-K195 VanDerWaalsContact CZ-CG 3.45Å; Y106-K195 WeakPolarHBondContact OH-CD 3.43Å; Y106-K195 WeakPolarHBondContact OH-CE 3.5Å; Y106-K195 WeakPolarHBondContact OH-CG 3.23Å; Y106-Y198 AromaticContact CD2-CD1 3.25Å; Y106-Y198 HydrophobicContact CD2-CD1 3.25Å; Y106-Y198 AromaticContact CD2-CE1 3.91Å; Y106-Y198 HydrophobicContact CD2-CE1 3.91Å; Y106-Y198 AromaticContact CD2-CG 3.59Å; Y106-Y198 HydrophobicContact CD2-CG 3.59Å; Y106-Y198 AromaticContact CE2-CD1 3.9Å; Y106-Y198 HydrophobicContact CE2-CD1 3.9Å; Y106-Y198 HydrophobicContact CE2-CG 4.49Å; Y106-Y198 HydrophobicContact CG-CD1 4.11Å; Y106-Y198 HydrophobicContact CG-CE1 4.43Å; Y106-Y198 HydrophobicContact CG-CG 4.36Å
107	P	79.1	Confident	59.6	Low	9 Å²	9	82.9 Å²	82.9	6%	0.058	48%	0.483	C	S	.	.			trans	-71.3	103.1	177.3	29.5	-34.7	0	0	0	109.9	Y113 R191 Q194 K195	P107-Y113 HydrophobicContact CB-CD2 4.11Å; P107-Y113 HydrophobicContact CB-CE2 4.26Å; P107-R191 HydrophobicContact CB-CG 4.35Å; P107-R191 HydrophobicContact CG-CG 4.1Å; P107-Q194 HydrophobicContact CB-CB 4.5Å; P107-Q194 HydrophobicContact CG-CB 3.88Å; P107-K195 HydrophobicContact CG-CB 4.48Å; P107-K195 HydrophobicContact CG-CD 4.47Å; P107-K195 HydrophobicContact CG-CG 3.42Å; P107-K195 VanDerWaalsContact CG-CG 3.42Å
108	T	69.3	Low	58.2	Low	77 Å²	77	87.7 Å²	87.7	47%	0.472	51%	0.507	S	S	.	.			trans	-85	145.6	168.8	-49.5	0	0	0	0	109.6	Y106 G110 N111	Y106-T108 PolarHBondContact O-N 3.27Å; T108-G110 PolarHBondContact O-N 3.3Å; T108-N111 PolarHBondContact O-N 2.92Å
109	S	58.8	Low	56.9	Low	68 Å²	68	81.7 Å²	81.7	48%	0.476	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-22.5	172.1	168.2	0	0	0	0	115.6	Y113 T115	S109-Y113 VanDerWaalsContact O-O 3.09Å; S109-T115 WeakPolarHBondContact OG-CB 3.4Å; S109-T115 WeakPolarHBondContact OG-CG2 3.36Å
110	G	45.6	Very low	55.3	Low	67 Å²	67	84.5 Å²	84.5	69%	0.691	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.9	178.7	0	0	0	0	0	115	T108 G112	T108-G110 PolarHBondContact O-N 3.3Å; G110-G112 VanDerWaalsContact C-N 3.31Å; G110-G112 PolarHBondContact O-N 3.43Å
111	N	42.9	Very low	54.2	Low	90 Å²	90	86.1 Å²	86.1	48%	0.481	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	40.5	-170.2	-100.2	60.1	0	0	0	113.3	K105 T108 Y113	K105-N111 PolarHBondContact NZ-ND2 2.84Å; K105-N111 PolarHBondContact NZ-OD1 2.72Å; T108-N111 PolarHBondContact O-N 2.92Å; N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 3.17Å
112	G	42.7	Very low	52.7	Low	77 Å²	77	85.6 Å²	85.6	79%	0.794	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-5.9	175.2	0	0	0	0	0	115.3	G110	G110-G112 VanDerWaalsContact C-N 3.31Å; G110-G112 PolarHBondContact O-N 3.43Å
113	Y	43.6	Very low	51.3	Low	84 Å²	84	79.5 Å²	79.5	33%	0.329	46%	0.462	S	S	.	.			trans	-87.4	111.6	168	-61	-83	0	0	0	107.7	P107 S109 N111 T115 Q194	P107-Y113 HydrophobicContact CB-CD2 4.11Å; P107-Y113 HydrophobicContact CB-CE2 4.26Å; S109-Y113 VanDerWaalsContact O-O 3.09Å; N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 3.17Å; Y113-T115 PolarHBondContact O-N 3.49Å; Y113-Q194 VanDerWaalsContact CZ-OE1 3.31Å; Y113-Q194 PolarHBondContact OH-NE2 3Å; Y113-Q194 PolarHBondContact OH-OE1 3.26Å
114	Q	40.3	Very low	49.8	Very low	121 Å²	121	81.2 Å²	81.2	57%	0.565	47%	0.469	S	S	*	.			trans	-55.1	106.8	166.8	-71.6	-173.9	-34.6	0	0	107.3	G116 N119 R191	Q114-G116 PolarHBondContact O-N 2.91Å; Q114-N119 PolarHBondContact OE1-ND2 3.27Å; Q114-R191 PolarHBondContact O-NH1 3.47Å
115	T	39.2	Very low	48.2	Very low	35 Å²	35	82.4 Å²	82.4	22%	0.215	48%	0.478	C	S	.	.			trans	-53.6	130.1	158.7	179.2	0	0	0	0	106.4	S109 Y113 T117 N118	S109-T115 WeakPolarHBondContact OG-CB 3.4Å; S109-T115 WeakPolarHBondContact OG-CG2 3.36Å; Y113-T115 PolarHBondContact O-N 3.49Å; T115-T117 WeakPolarHBondContact CB-OG1 3.13Å; T115-T117 WeakPolarHBondContact CG2-OG1 3.41Å; T115-T117 PolarHBondContact O-N 2.92Å; T115-T117 PolarHBondContact OG1-OG1 3.36Å; T115-N118 PolarHBondContact O-N 3.43Å
116	G	42.3	Very low	46.3	Very low	43 Å²	43	80.1 Å²	80.1	44%	0.443	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-0.8	179.8	0	0	0	0	0	113.3	Q114	Q114-G116 PolarHBondContact O-N 2.91Å
117	T	39.7	Very low	44.3	Very low	109 Å²	109	87.1 Å²	87.1	67%	0.669	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.5	177.8	39	0	0	0	0	114.3	T115	T115-T117 WeakPolarHBondContact CB-OG1 3.13Å; T115-T117 WeakPolarHBondContact CG2-OG1 3.41Å; T115-T117 PolarHBondContact O-N 2.92Å; T115-T117 PolarHBondContact OG1-OG1 3.36Å
118	N	36.1	Very low	42.3	Very low	142 Å²	142	91 Å²	91	76%	0.759	53%	0.525	S	S	*	.	S	Bend	trans	-103.5	-8.8	-176.8	-72.3	-15.1	0	0	0	114.7	T115 N120	T115-N118 PolarHBondContact O-N 3.43Å; N118-N120 PolarHBondContact O-N 2.84Å
119	N	38.3	Very low	40.9	Very low	52 Å²	52	95 Å²	95	28%	0.278	54%	0.538	S	S	.	.	S	Bend	trans	-84.2	113.6	160.7	-68.6	-36.8	0	0	0	104.9	Q114 Y121	Q114-N119 PolarHBondContact OE1-ND2 3.27Å; N119-Y121 HydrophobicContact CB-CD2 3.31Å; N119-Y121 HydrophobicContact CB-CE2 3.27Å; N119-Y121 HydrophobicContact CB-CG 4.33Å; N119-Y121 PolarHBondContact O-N 3.19Å
120	N	31.6	Very low	40.2	Very low	151 Å²	151	97.9 Å²	97.9	81%	0.807	56%	0.558	S	S	*	*			trans	-57.6	68.6	160.6	-172.9	-16.8	0	0	0	108	N118 Q122	N118-N120 PolarHBondContact O-N 2.84Å; N120-Q122 PolarHBondContact O-N 3.37Å
121	Y	39.5	Very low	39.7	Very low	98 Å²	98	96.7 Å²	96.7	38%	0.384	55%	0.546	S	S	.	.			trans	-75.6	79.2	162.9	-79.7	-74.8	0	0	0	103.8	N119 V123 T184	N119-Y121 HydrophobicContact CB-CD2 3.31Å; N119-Y121 HydrophobicContact CB-CE2 3.27Å; N119-Y121 HydrophobicContact CB-CG 4.33Å; N119-Y121 PolarHBondContact O-N 3.19Å; Y121-V123 PolarHBondContact O-N 2.97Å; Y121-T184 PolarHBondContact OH-OG1 2.82Å; Y121-T184 VanDerWaalsContact OH-OG1 3.13Å
122	Q	31.5	Very low	39.7	Very low	133 Å²	133	99.4 Å²	99.4	62%	0.621	55%	0.554	S	S	*	*			trans	-55.4	97.3	154.7	-169.7	-177.7	-5.8	0	0	104.7	N120 N124	N120-Q122 PolarHBondContact O-N 3.37Å; Q122-N124 WeakPolarHBondContact CG-OD1 3.4Å; Q122-N124 PolarHBondContact NE2-OD1 3.14Å; Q122-N124 PolarHBondContact O-N 3.26Å
123	V	39.3	Very low	39.7	Very low	63 Å²	63	103.8 Å²	103.8	38%	0.382	55%	0.554	S	S	.	*			trans	-64.4	82.6	163.1	-179.2	0	0	0	0	103.9	E53 Y121 S125	E53-V123 HydrophobicContact CG-CG1 3.79Å; E53-V123 WeakPolarHBondContact OE1-CG1 3.41Å; Y121-V123 PolarHBondContact O-N 2.97Å; V123-S125 PolarHBondContact O-N 2.63Å
124	N	40.1	Very low	39.8	Very low	86 Å²	86	104.6 Å²	104.6	46%	0.46	56%	0.562	S	S	.	*			trans	-68	101.4	161.6	-80.4	-32.9	0	0	0	103.5	Q122 Y126	Q122-N124 WeakPolarHBondContact CG-OD1 3.4Å; Q122-N124 PolarHBondContact NE2-OD1 3.14Å; Q122-N124 PolarHBondContact O-N 3.26Å; N124-Y126 PolarHBondContact O-N 2.79Å
125	S	43.6	Very low	40	Very low	69 Å²	69	107.3 Å²	107.3	48%	0.483	58%	0.575	S	S	.	*			trans	-46.6	119	162.3	45.5	0	0	0	0	106.4	V123 Q127	V123-S125 PolarHBondContact O-N 2.63Å; S125-Q127 PolarHBondContact O-N 3Å
126	Y	43.2	Very low	40.1	Very low	94 Å²	94	114.4 Å²	114.4	37%	0.369	61%	0.606	S	S	.	*			trans	-68.4	85.7	175.3	-80.1	-82.1	0	0	0	107.2	L49 N124 P128 D177	L49-Y126 HydrophobicContact CB-CD2 4.13Å; L49-Y126 HydrophobicContact CB-CG 4.34Å; L49-Y126 HydrophobicContact CD1-CD1 3.91Å; L49-Y126 HydrophobicContact CD1-CD2 4.02Å; L49-Y126 HydrophobicContact CD1-CE1 4.25Å; L49-Y126 HydrophobicContact CD1-CE2 4.34Å; L49-Y126 HydrophobicContact CD1-CG 3.84Å; L49-Y126 HydrophobicContact CD2-CD2 4.06Å; L49-Y126 HydrophobicContact CD2-CE2 3.98Å; L49-Y126 HydrophobicContact CG-CD2 4.32Å; N124-Y126 PolarHBondContact O-N 2.79Å; Y126-P128 WeakPolarHBondContact O-CD 3.26Å; Y126-D177 HydrophobicContact CE1-CB 4.19Å; Y126-D177 WeakPolarHBondContact CE1-OD2 3.47Å; Y126-D177 HydrophobicContact CE2-CB 4.01Å; Y126-D177 VanDerWaalsContact CZ-CB 3.49Å; Y126-D177 VanDerWaalsContact CZ-OD2 3.26Å; Y126-D177 WeakPolarHBondContact OH-CB 3.5Å; Y126-D177 PolarHBondContact OH-OD1 2.79Å; Y126-D177 VanDerWaalsContact OH-OD1 3.14Å; Y126-D177 PolarHBondContact OH-OD2 2.88Å
127	Q	44.1	Very low	40.2	Very low	161 Å²	161	119.7 Å²	119.7	75%	0.752	62%	0.624	S	S	*	*			trans	-73.2	119.3	159.8	-64.1	-167.3	-63.3	0	0	105.3	S125 Q129	S125-Q127 PolarHBondContact O-N 3Å; Q127-Q129 PolarHBondContact O-N 3.3Å
128	P	37.3	Very low	40.5	Very low	90 Å²	90	123.1 Å²	123.1	58%	0.584	63%	0.632	S	S	*	*			trans	-57	108.5	169.8	23.1	-30	0	0	0	106	Y126 S130	Y126-P128 WeakPolarHBondContact O-CD 3.26Å; P128-S130 VanDerWaalsContact C-N 3.31Å; P128-S130 PolarHBondContact O-N 3.01Å
129	Q	39.4	Very low	41.1	Very low	161 Å²	161	125.2 Å²	125.2	75%	0.752	64%	0.638	S	S	*	*			trans	-60.8	104	171.9	-96.6	-169	-33.8	0	0	106.1	Q127 G131	Q127-Q129 PolarHBondContact O-N 3.3Å; Q129-G131 PolarHBondContact O-N 3.01Å
130	S	42.8	Very low	41.8	Very low	129 Å²	129	132.5 Å²	132.5	90%	0.902	67%	0.667	S	S	*	*	S	Bend	trans	-68.6	74	162.4	56.9	0	0	0	0	107	P128	P128-S130 VanDerWaalsContact C-N 3.31Å; P128-S130 PolarHBondContact O-N 3.01Å
131	G	37	Very low	43.4	Very low	42 Å²	42	132 Å²	132	43%	0.433	68%	0.675	S	S	.	*			trans	177.1	97	-173.7	0	0	0	0	0	110.8	Q129 Q133	Q129-G131 PolarHBondContact O-N 3.01Å; G131-Q133 PolarHBondContact O-N 3.03Å
132	F	41.9	Very low	45.2	Very low	147 Å²	147	129.3 Å²	129.3	65%	0.645	68%	0.678	S	S	*	*			trans	-63.8	85.9	165.5	-67	-92.1	0	0	0	109	M167	F132-M167 HydrophobicContact CE1-CG 4.4Å
133	Q	41.9	Very low	47.7	Very low	169 Å²	169	126.9 Å²	126.9	79%	0.79	67%	0.673	S	S	*	*			trans	-103.1	96	156.7	-76	-171.4	-5.4	0	0	107	G131 Q135	G131-Q133 PolarHBondContact O-N 3.03Å; Q133-Q135 VanDerWaalsContact C-N 3.31Å; Q133-Q135 PolarHBondContact O-N 3.14Å
134	I	46.4	Very low	50	Low	101 Å²	101	128.9 Å²	128.9	52%	0.518	68%	0.677	S	S	.	*			trans	-60	98.9	169.1	-58.4	-177.4	0	0	0	106.3	Q136	I134-Q136 PolarHBondContact O-N 3.34Å; I134-Q136 VanDerWaalsContact O-N 3.07Å
135	Q	43.9	Very low	52.2	Low	179 Å²	179	126.1 Å²	126.1	84%	0.836	66%	0.662	S	S	*	*			trans	-63.1	111.3	159.6	-75.4	-173.4	11.4	0	0	105.6	Q133 N137	Q133-Q135 VanDerWaalsContact C-N 3.31Å; Q133-Q135 PolarHBondContact O-N 3.14Å; Q135-N137 PolarHBondContact O-N 2.82Å
136	Q	42.6	Very low	54.3	Low	183 Å²	183	128.7 Å²	128.7	86%	0.855	68%	0.675	S	S	*	*			trans	-63.3	81.1	-179	-67.3	-179.4	41.5	0	0	109.6	I134	I134-Q136 PolarHBondContact O-N 3.34Å; I134-Q136 VanDerWaalsContact O-N 3.07Å
137	N	44.7	Very low	56.3	Low	154 Å²	154	130.2 Å²	130.2	82%	0.824	68%	0.68	S	S	*	*			trans	-84.5	118.6	163.9	-146	-6.4	0	0	0	107.6	Q135 Q139	Q135-N137 PolarHBondContact O-N 2.82Å; N137-Q139 PolarHBondContact O-N 2.77Å
138	Q	45.8	Very low	58.2	Low	181 Å²	181	128.8 Å²	128.8	85%	0.846	68%	0.676	S	S	*	*			trans	-67.4	87.8	-163.3	-59.8	176.7	34.6	0	0	112.1
139	Q	48.9	Very low	60.4	Low	187 Å²	187	126.7 Å²	126.7	87%	0.874	66%	0.662	S	S	*	*	S	Bend	trans	-140.9	112.5	166.6	-68.3	-166.3	-43.7	0	0	111.4	N137	N137-Q139 PolarHBondContact O-N 2.77Å
140	K	53.1	Low	62.6	Low	204 Å²	204	124.5 Å²	124.5	89%	0.887	66%	0.655	S	S	*	*			trans	54.5	87.6	-175	-76.3	-173.8	176.2	-178.1	0	115.3	G142	K140-G142 PolarHBondContact O-N 2.72Å
141	S	64.2	Low	64.9	Low	141 Å²	141	120.2 Å²	120.2	99%	0.986	62%	0.622	S	S	*	*			trans	-71.2	50.1	165.2	-179.2	0	0	0	0	112.5
142	G	78.5	Confident	67.5	Low	42 Å²	42	122 Å²	122	43%	0.433	63%	0.633	S	S	.	*	S	Bend	trans	-135.7	161.3	177.3	0	0	0	0	0	110.8	K140	K140-G142 PolarHBondContact O-N 2.72Å
143	P	84	Confident	69.9	Low	81 Å²	81	117.6 Å²	117.6	53%	0.526	61%	0.612	S	S	.	*			trans	-58.2	143.4	175	27.6	-34.8	0	0	0	110.1	I145 E158	P143-I145 VanDerWaalsContact C-N 3.28Å; P143-I145 PolarHBondContact O-N 3.16Å; P143-E158 VanDerWaalsContact CA-OE1 3.24Å; P143-E158 WeakPolarHBondContact CA-OE1 3.5Å
144	F	87.6	Confident	72.3	Confident	106 Å²	106	109.8 Å²	109.8	47%	0.465	58%	0.576	S	S	.	*	S	Bend	trans	-64.3	-36.1	176.1	-70.4	-80.4	0	0	0	111.5	E158 L161 Q162 S165	F144-E158 WeakPolarHBondContact CA-OE2 3.08Å; F144-E158 WeakPolarHBondContact CB-OE2 3.48Å; F144-E158 WeakPolarHBondContact CD2-OE1 3.33Å; F144-E158 VanDerWaalsContact N-CD 3.27Å; F144-E158 PolarHBondContact N-OE1 2.97Å; F144-E158 PolarHBondContact N-OE2 3.13Å; F144-L161 HydrophobicContact CB-CB 3.7Å; F144-L161 HydrophobicContact CB-CD1 3.57Å; F144-L161 HydrophobicContact CB-CG 4.3Å; F144-L161 HydrophobicContact CD1-CB 4.36Å; F144-L161 HydrophobicContact CD2-CB 3.95Å; F144-L161 HydrophobicContact CG-CB 3.75Å; F144-L161 HydrophobicContact CG-CD1 4.45Å; F144-Q162 HydrophobicContact CD2-CB 4.4Å; F144-Q162 HydrophobicContact CE2-CB 3.93Å; F144-Q162 HydrophobicContact CE2-CG 4.31Å; F144-S165 VanDerWaalsContact CZ-CB 3.42Å
145	I	85.7	Confident	74.5	Confident	27 Å²	27	108.6 Å²	108.6	14%	0.138	57%	0.571	C	S	.	*	S	Bend	trans	-105.1	150	176.7	70.7	173.5	0	0	0	112.5	P143 E154 M157 E158 L161	P143-I145 VanDerWaalsContact C-N 3.28Å; P143-I145 PolarHBondContact O-N 3.16Å; I145-E154 HydrophobicContact CD1-CB 3.73Å; I145-E154 HydrophobicContact CD1-CG 4.14Å; I145-E154 WeakPolarHBondContact CD1-O 3.46Å; I145-M157 HydrophobicContact CD1-CB 4.02Å; I145-M157 HydrophobicContact CD1-CE 4.12Å; I145-E158 HydrophobicContact CD1-CB 4.41Å; I145-E158 HydrophobicContact CG1-CB 4.36Å; I145-E158 WeakPolarHBondContact CG1-OE2 3.4Å; I145-E158 PolarHBondContact N-OE2 2.95Å; I145-L161 HydrophobicContact CG2-CD1 3.44Å; I145-L161 VanDerWaalsContact CG2-CD1 3.44Å
146	T	86.8	Confident	76.9	Confident	124 Å²	124	102.9 Å²	102.9	76%	0.761	54%	0.544	S	S	*	.			trans	-82.7	120.9	163.4	-57.3	0	0	0	0	108.2
147	R	86.4	Confident	79.3	Confident	125 Å²	125	94.7 Å²	94.7	47%	0.472	51%	0.506	S	S	.	.			trans	-72.8	126.8	177.7	-66.2	-168.9	169.9	119.6	-10	111.1	N150 E154 D155	R147-N150 VanDerWaalsContact CD-OD1 3.29Å; R147-N150 WeakPolarHBondContact CD-OD1 3.45Å; R147-E154 VanDerWaalsContact CA-OE2 3.22Å; R147-E154 WeakPolarHBondContact CA-OE2 3.26Å; R147-E154 WeakPolarHBondContact CB-OE2 3.4Å; R147-D155 IonicContact CZ-OD1 2.97Å; R147-D155 IonicContact NE-OD1 2.69Å; R147-D155 IonicContact NH2-OD1 3.06Å; R147-D155 PolarHBondContact NH2-OD1 2.8Å
148	I	84.1	Confident	81.7	Confident	132 Å²	132	88.8 Å²	88.8	68%	0.677	47%	0.473	S	S	*	.	S	Bend	trans	-115.2	-53.4	179.9	-58.1	177.7	0	0	0	109.9	M20 E154	M20-I148 HydrophobicContact SD-CG2 4.3Å; I148-E154 PolarHBondContact N-OE1 3.22Å; I148-E154 PolarHBondContact N-OE2 3.31Å; I148-E154 VanDerWaalsContact N-OE2 3.1Å
149	T	83.2	Confident	84	Confident	46 Å²	46	85.6 Å²	85.6	28%	0.282	46%	0.458	S	S	.	.	S	Bend	trans	-90.8	-20	178.8	58.7	0	0	0	0	112.6	M20 D151 E154	M20-T149 HydrophobicContact CE-CG2 4.17Å; M20-T149 HydrophobicContact SD-CG2 4.37Å; T149-D151 PolarHBondContact O-N 3.1Å; T149-D151 PolarHBondContact OG1-OD2 2.8Å; T149-E154 PolarHBondContact N-OE1 3.4Å; T149-E154 PolarHBondContact N-OE2 2.89Å; T149-E154 PolarHBondContact OG1-OE1 2.8Å
150	N	85.6	Confident	86.2	Confident	115 Å²	115	77.3 Å²	77.3	62%	0.615	42%	0.42	S	S	*	.			trans	53.2	43.3	-177.4	-162.5	40	0	0	0	111.6	R147 E154	R147-N150 VanDerWaalsContact CD-OD1 3.29Å; R147-N150 WeakPolarHBondContact CD-OD1 3.45Å; N150-E154 WeakPolarHBondContact CA-OE2 3.43Å; N150-E154 PolarHBondContact N-OE2 3.03Å
151	D	91	Very high	88.2	Confident	39 Å²	39	69.3 Å²	69.3	21%	0.209	39%	0.386	C	S	.	.	S	Bend	trans	-106.7	172	-179.1	71.4	31.4	0	0	0	112.3	T149 R153 E154 D155	T149-D151 PolarHBondContact O-N 3.1Å; T149-D151 PolarHBondContact OG1-OD2 2.8Å; D151-R153 PolarHBondContact O-N 3.15Å; D151-R153 VanDerWaalsContact O-N 3.16Å; D151-R153 WeakPolarHBondContact OD1-CA 3.19Å; D151-R153 WeakPolarHBondContact OD1-CB 3.42Å; D151-R153 PolarHBondContact OD1-N 3.38Å; D151-R153 IonicContact OD1-NE 2.76Å; D151-R153 IonicContact OD2-CZ 3.63Å; D151-R153 IonicContact OD2-NE 3.39Å; D151-R153 PolarHBondContact OD2-NE 3.1Å; D151-R153 VanDerWaalsContact OD2-NE 3.13Å; D151-R153 IonicContact OD2-NH2 3.77Å; D151-R153 PolarHBondContact OD2-NH2 3.03Å; D151-E154 PolarHBondContact O-N 2.72Å; D151-E154 VanDerWaalsContact O-N 3.12Å; D151-E154 PolarHBondContact OD1-N 3.18Å; D151-E154 VanDerWaalsContact OD1-N 3.1Å; D151-D155 PolarHBondContact O-N 3.45Å
152	A	90.8	Very high	89.6	Confident	80 Å²	80	67.4 Å²	67.4	66%	0.661	36%	0.362	S	S	*	.	H	α-helix	trans	-62.4	-21.7	-178.2	0	0	0	0	0	114	E156	A152-E156 PolarHBondContact O-N 3.21Å; A152-E156 VanDerWaalsContact O-N 3.07Å
153	R	92.1	Very high	90.3	Very high	53 Å²	53	68.5 Å²	68.5	20%	0.2	36%	0.356	C	S	.	.	H	α-helix	trans	-73.1	-41.3	176.4	-59.3	174.8	-68.1	-179.9	-0.3	110.1	N21 T24 D25 L28 D151 D155 E156 M157	N21-R153 PolarHBondContact OD1-NH2 3.14Å; T24-R153 HydrophobicContact CG2-CB 4.12Å; D25-R153 WeakPolarHBondContact OD1-CD 3.37Å; D25-R153 IonicContact OD1-CZ 2.84Å; D25-R153 IonicContact OD1-NE 2.74Å; D25-R153 IonicContact OD1-NH1 2.72Å; D25-R153 PolarHBondContact OD1-NH1 2.86Å; D25-R153 IonicContact OD2-NH1 3.51Å; L28-R153 HydrophobicContact CD2-CB 3.97Å; L28-R153 HydrophobicContact CD2-CG 4.06Å; D151-R153 PolarHBondContact O-N 3.15Å; D151-R153 VanDerWaalsContact O-N 3.16Å; D151-R153 WeakPolarHBondContact OD1-CA 3.19Å; D151-R153 WeakPolarHBondContact OD1-CB 3.42Å; D151-R153 PolarHBondContact OD1-N 3.38Å; D151-R153 IonicContact OD1-NE 2.76Å; D151-R153 IonicContact OD2-CZ 3.63Å; D151-R153 IonicContact OD2-NE 3.39Å; D151-R153 PolarHBondContact OD2-NE 3.1Å; D151-R153 VanDerWaalsContact OD2-NE 3.13Å; D151-R153 IonicContact OD2-NH2 3.77Å; D151-R153 PolarHBondContact OD2-NH2 3.03Å; R153-D155 VanDerWaalsContact C-N 3.33Å; R153-E156 PolarHBondContact O-N 3.38Å; R153-M157 WeakPolarHBondContact O-CG 3.43Å; R153-M157 PolarHBondContact O-N 3.11Å
154	E	92.6	Very high	90.8	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.028	34%	0.336	C	S	.	.	H	α-helix	trans	-62.3	-40.8	173.1	-71.6	-172.9	170.1	0	0	111.7	I145 R147 I148 T149 N150 D151 E156 M157 E158	I145-E154 HydrophobicContact CD1-CB 3.73Å; I145-E154 HydrophobicContact CD1-CG 4.14Å; I145-E154 WeakPolarHBondContact CD1-O 3.46Å; R147-E154 VanDerWaalsContact CA-OE2 3.22Å; R147-E154 WeakPolarHBondContact CA-OE2 3.26Å; R147-E154 WeakPolarHBondContact CB-OE2 3.4Å; I148-E154 PolarHBondContact N-OE1 3.22Å; I148-E154 PolarHBondContact N-OE2 3.31Å; I148-E154 VanDerWaalsContact N-OE2 3.1Å; T149-E154 PolarHBondContact N-OE1 3.4Å; T149-E154 PolarHBondContact N-OE2 2.89Å; T149-E154 PolarHBondContact OG1-OE1 2.8Å; N150-E154 WeakPolarHBondContact CA-OE2 3.43Å; N150-E154 PolarHBondContact N-OE2 3.03Å; D151-E154 PolarHBondContact O-N 2.72Å; D151-E154 VanDerWaalsContact O-N 3.12Å; D151-E154 PolarHBondContact OD1-N 3.18Å; D151-E154 VanDerWaalsContact OD1-N 3.1Å; E154-E156 VanDerWaalsContact C-N 3.35Å; E154-E156 PolarHBondContact O-N 3.16Å; E154-M157 HydrophobicContact CB-CE 4.2Å; E154-M157 HydrophobicContact CG-CE 3.69Å; E154-M157 PolarHBondContact O-N 3.45Å; E154-E158 PolarHBondContact O-N 3.18Å
155	D	93.2	Very high	91.1	Very high	76 Å²	76	62.7 Å²	62.7	41%	0.406	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-39.7	174.8	-70.4	-32.5	0	0	0	112.4	R147 D151 R153 E158 Q159	R147-D155 IonicContact CZ-OD1 2.97Å; R147-D155 IonicContact NE-OD1 2.69Å; R147-D155 IonicContact NH2-OD1 3.06Å; R147-D155 PolarHBondContact NH2-OD1 2.8Å; D151-D155 PolarHBondContact O-N 3.45Å; R153-D155 VanDerWaalsContact C-N 3.33Å; D155-E158 PolarHBondContact O-N 3.39Å; D155-Q159 PolarHBondContact O-N 2.83Å
156	E	94.2	Very high	91.4	Very high	59 Å²	59	62.3 Å²	62.3	28%	0.276	33%	0.332	S	S	.	.	H	α-helix	trans	-66.4	-41.9	173.8	-167.2	-169.9	151.6	0	0	112	L28 R32 A152 R153 E154 E158 Q159 N160	L28-E156 HydrophobicContact CD1-CB 3.84Å; L28-E156 HydrophobicContact CD1-CG 3.86Å; R32-E156 IonicContact CZ-OE1 2.8Å; R32-E156 VanDerWaalsContact CZ-OE1 3.26Å; R32-E156 IonicContact CZ-OE2 3.67Å; R32-E156 IonicContact NE-OE1 3.59Å; R32-E156 PolarHBondContact NE-OE1 3.19Å; R32-E156 IonicContact NE-OE2 3.13Å; R32-E156 VanDerWaalsContact NH2-CD 3.27Å; R32-E156 IonicContact NH2-OE1 3.12Å; R32-E156 PolarHBondContact NH2-OE1 3.46Å; R32-E156 IonicContact NH2-OE2 3.68Å; R32-E156 PolarHBondContact NH2-OE2 3.49Å; A152-E156 PolarHBondContact O-N 3.21Å; A152-E156 VanDerWaalsContact O-N 3.07Å; R153-E156 PolarHBondContact O-N 3.38Å; E154-E156 VanDerWaalsContact C-N 3.35Å; E154-E156 PolarHBondContact O-N 3.16Å; E156-E158 VanDerWaalsContact C-N 3.34Å; E156-E158 PolarHBondContact O-N 3.41Å; E156-Q159 PolarHBondContact O-N 2.77Å; E156-N160 WeakPolarHBondContact O-CB 3.38Å; E156-N160 PolarHBondContact O-N 3.04Å; E156-N160 PolarHBondContact O-ND2 3.49Å
157	M	93.3	Very high	91.8	Very high	11 Å²	11	56.7 Å²	56.7	5%	0.054	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-45	175.8	-77.5	-169.2	-65.7	0	0	111.6	T24 T27 L28 T31 I145 R153 E154 N160 L161	T24-M157 HydrophobicContact CG2-CE 3.9Å; T27-M157 HydrophobicContact CG2-SD 3.51Å; T27-M157 VanDerWaalsContact CG2-SD 3.51Å; L28-M157 HydrophobicContact CB-CG 3.96Å; L28-M157 HydrophobicContact CB-SD 4.26Å; L28-M157 HydrophobicContact CD1-CG 3.6Å; L28-M157 HydrophobicContact CG-CG 4.4Å; T31-M157 HydrophobicContact CG2-CB 4.3Å; T31-M157 HydrophobicContact CG2-CG 4.12Å; I145-M157 HydrophobicContact CD1-CB 4.02Å; I145-M157 HydrophobicContact CD1-CE 4.12Å; R153-M157 WeakPolarHBondContact O-CG 3.43Å; R153-M157 PolarHBondContact O-N 3.11Å; E154-M157 HydrophobicContact CB-CE 4.2Å; E154-M157 HydrophobicContact CG-CE 3.69Å; E154-M157 PolarHBondContact O-N 3.45Å; M157-N160 PolarHBondContact O-N 3Å; M157-L161 WeakPolarHBondContact O-CG 3.22Å; M157-L161 PolarHBondContact O-N 3.2Å
158	E	93.7	Very high	92.1	Very high	29 Å²	29	54.2 Å²	54.2	14%	0.136	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-45.8	176.8	-176.1	60.9	-157.8	0	0	111.1	P143 F144 I145 E154 D155 E156 N160 L161 Q162	P143-E158 VanDerWaalsContact CA-OE1 3.24Å; P143-E158 WeakPolarHBondContact CA-OE1 3.5Å; F144-E158 WeakPolarHBondContact CA-OE2 3.08Å; F144-E158 WeakPolarHBondContact CB-OE2 3.48Å; F144-E158 WeakPolarHBondContact CD2-OE1 3.33Å; F144-E158 VanDerWaalsContact N-CD 3.27Å; F144-E158 PolarHBondContact N-OE1 2.97Å; F144-E158 PolarHBondContact N-OE2 3.13Å; I145-E158 HydrophobicContact CD1-CB 4.41Å; I145-E158 HydrophobicContact CG1-CB 4.36Å; I145-E158 WeakPolarHBondContact CG1-OE2 3.4Å; I145-E158 PolarHBondContact N-OE2 2.95Å; E154-E158 PolarHBondContact O-N 3.18Å; D155-E158 PolarHBondContact O-N 3.39Å; E156-E158 VanDerWaalsContact C-N 3.34Å; E156-E158 PolarHBondContact O-N 3.41Å; E158-N160 VanDerWaalsContact C-N 3.35Å; E158-N160 PolarHBondContact O-N 2.98Å; E158-L161 PolarHBondContact O-N 3.19Å; E158-Q162 WeakPolarHBondContact O-CB 3.36Å; E158-Q162 PolarHBondContact O-N 3.39Å
159	Q	94.5	Very high	92.6	Very high	114 Å²	114	51.6 Å²	51.6	53%	0.533	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-41.6	176.3	-172.1	-172.6	-13.8	0	0	112.1	D155 E156 Q162 Q163	D155-Q159 PolarHBondContact O-N 2.83Å; E156-Q159 PolarHBondContact O-N 2.77Å; Q159-Q162 PolarHBondContact O-N 3.08Å; Q159-Q163 WeakPolarHBondContact O-CG 3.09Å; Q159-Q163 PolarHBondContact O-N 3.03Å; Q159-Q163 PolarHBondContact O-NE2 3.47Å
160	N	95.2	Very high	93	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.07	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-43.4	177.5	-71.9	-20.9	0	0	0	111.1	T31 V35 E156 M157 E158 Q162 Q163 V164	T31-N160 PolarHBondContact OG1-ND2 3.48Å; V35-N160 HydrophobicContact CG2-CB 3.83Å; E156-N160 WeakPolarHBondContact O-CB 3.38Å; E156-N160 PolarHBondContact O-N 3.04Å; E156-N160 PolarHBondContact O-ND2 3.49Å; M157-N160 PolarHBondContact O-N 3Å; E158-N160 VanDerWaalsContact C-N 3.35Å; E158-N160 PolarHBondContact O-N 2.98Å; N160-Q162 VanDerWaalsContact C-N 3.35Å; N160-Q163 PolarHBondContact O-N 2.85Å; N160-V164 WeakPolarHBondContact O-CB 3.34Å; N160-V164 VanDerWaalsContact O-CG2 3.27Å; N160-V164 WeakPolarHBondContact O-CG2 3.38Å; N160-V164 PolarHBondContact O-N 3.19Å
161	L	94.7	Very high	93.4	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-34.9	177.4	-70.2	179.6	0	0	0	112.5	T31 M34 F144 I145 M157 E158 V164 S165	T31-L161 HydrophobicContact CG2-CD2 4.1Å; T31-L161 HydrophobicContact CG2-CG 4.13Å; M34-L161 HydrophobicContact CE-CD2 3.63Å; F144-L161 HydrophobicContact CB-CB 3.7Å; F144-L161 HydrophobicContact CB-CD1 3.57Å; F144-L161 HydrophobicContact CB-CG 4.3Å; F144-L161 HydrophobicContact CD1-CB 4.36Å; F144-L161 HydrophobicContact CD2-CB 3.95Å; F144-L161 HydrophobicContact CG-CB 3.75Å; F144-L161 HydrophobicContact CG-CD1 4.45Å; I145-L161 HydrophobicContact CG2-CD1 3.44Å; I145-L161 VanDerWaalsContact CG2-CD1 3.44Å; M157-L161 WeakPolarHBondContact O-CG 3.22Å; M157-L161 PolarHBondContact O-N 3.2Å; E158-L161 PolarHBondContact O-N 3.19Å; L161-V164 PolarHBondContact O-N 3.3Å; L161-S165 WeakPolarHBondContact O-CB 3.36Å; L161-S165 PolarHBondContact O-N 3.47Å
162	Q	93.9	Very high	93.5	Very high	102 Å²	102	53.7 Å²	53.7	48%	0.477	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-43.2	172.4	-170.6	177.1	13.9	0	0	111.9	F144 E158 Q159 N160 S165 G166	F144-Q162 HydrophobicContact CD2-CB 4.4Å; F144-Q162 HydrophobicContact CE2-CB 3.93Å; F144-Q162 HydrophobicContact CE2-CG 4.31Å; E158-Q162 WeakPolarHBondContact O-CB 3.36Å; E158-Q162 PolarHBondContact O-N 3.39Å; Q159-Q162 PolarHBondContact O-N 3.08Å; N160-Q162 VanDerWaalsContact C-N 3.35Å; Q162-S165 PolarHBondContact O-N 3.02Å; Q162-G166 PolarHBondContact O-N 2.81Å; Q162-G166 VanDerWaalsContact O-N 3.14Å
163	Q	93.9	Very high	93.6	Very high	64 Å²	64	52.7 Å²	52.7	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-47.1	174.2	-72.7	175.4	67.1	0	0	111.7	V35 Q159 N160 S165 G166 M167	V35-Q163 HydrophobicContact CG2-CB 4.35Å; Q159-Q163 WeakPolarHBondContact O-CG 3.09Å; Q159-Q163 PolarHBondContact O-N 3.03Å; Q159-Q163 PolarHBondContact O-NE2 3.47Å; N160-Q163 PolarHBondContact O-N 2.85Å; Q163-S165 VanDerWaalsContact C-N 3.32Å; Q163-S165 PolarHBondContact O-N 3.43Å; Q163-G166 PolarHBondContact O-N 3.32Å; Q163-M167 HydrophobicContact CB-CE 4.18Å; Q163-M167 WeakPolarHBondContact O-CG 3.41Å; Q163-M167 PolarHBondContact O-N 3Å
164	V	94.7	Very high	93.7	Very high	17 Å²	17	50.6 Å²	50.6	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-45.6	176.1	169	0	0	0	0	110.6	M34 V35 N160 L161 G166 M167 V168	M34-V164 HydrophobicContact CB-CG2 3.75Å; V35-V164 HydrophobicContact CB-CG2 4.44Å; V35-V164 HydrophobicContact CG2-CG2 3.72Å; N160-V164 WeakPolarHBondContact O-CB 3.34Å; N160-V164 VanDerWaalsContact O-CG2 3.27Å; N160-V164 WeakPolarHBondContact O-CG2 3.38Å; N160-V164 PolarHBondContact O-N 3.19Å; L161-V164 PolarHBondContact O-N 3.3Å; V164-G166 VanDerWaalsContact C-N 3.31Å; V164-G166 PolarHBondContact O-N 3.48Å; V164-M167 HydrophobicContact CG2-CE 4.35Å; V164-M167 PolarHBondContact O-N 3.02Å; V164-V168 HydrophobicContact CG1-CG2 3.98Å; V164-V168 WeakPolarHBondContact O-CB 3.37Å; V164-V168 WeakPolarHBondContact O-CG2 3.4Å; V164-V168 PolarHBondContact O-N 3.26Å
165	S	93.5	Very high	93.6	Very high	49 Å²	49	52.7 Å²	52.7	34%	0.343	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-42.2	178.1	-175	0	0	0	0	112.5	F144 L161 Q162 Q163 S169	F144-S165 VanDerWaalsContact CZ-CB 3.42Å; L161-S165 WeakPolarHBondContact O-CB 3.36Å; L161-S165 PolarHBondContact O-N 3.47Å; Q162-S165 PolarHBondContact O-N 3.02Å; Q163-S165 VanDerWaalsContact C-N 3.32Å; Q163-S165 PolarHBondContact O-N 3.43Å; S165-S169 WeakPolarHBondContact O-CB 3.3Å; S165-S169 PolarHBondContact O-N 2.9Å; S165-S169 PolarHBondContact O-OG 2.73Å
166	G	93	Very high	93.6	Very high	18 Å²	18	51.6 Å²	51.6	19%	0.186	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-47.1	175.4	0	0	0	0	0	112.3	Q162 Q163 V164 V168 S169 Q170	Q162-G166 PolarHBondContact O-N 2.81Å; Q162-G166 VanDerWaalsContact O-N 3.14Å; Q163-G166 PolarHBondContact O-N 3.32Å; V164-G166 VanDerWaalsContact C-N 3.31Å; V164-G166 PolarHBondContact O-N 3.48Å; G166-V168 PolarHBondContact O-N 3.35Å; G166-S169 WeakPolarHBondContact O-CB 3.32Å; G166-S169 PolarHBondContact O-N 2.78Å; G166-Q170 PolarHBondContact O-N 2.73Å
167	M	94.1	Very high	93.4	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.034	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-38.1	177.5	-69.6	-175.3	-77.1	0	0	112.5	V35 C38 D39 T42 F132 Q163 V164 S169 Q170 L171	V35-M167 HydrophobicContact CB-CE 4.26Å; V35-M167 HydrophobicContact CG1-CE 3.98Å; V35-M167 HydrophobicContact CG2-CE 4.4Å; C38-M167 HydrophobicContact CB-CB 3.74Å; C38-M167 HydrophobicContact CB-CE 3.59Å; C38-M167 HydrophobicContact CB-CG 4.32Å; C38-M167 HydrophobicContact CB-SD 3.63Å; D39-M167 HydrophobicContact CB-SD 4.13Å; D39-M167 PolarHBondContact N-SD 2.97Å; T42-M167 HydrophobicContact CG2-CB 4.16Å; T42-M167 HydrophobicContact CG2-CG 4.44Å; F132-M167 HydrophobicContact CE1-CG 4.4Å; Q163-M167 HydrophobicContact CB-CE 4.18Å; Q163-M167 WeakPolarHBondContact O-CG 3.41Å; Q163-M167 PolarHBondContact O-N 3Å; V164-M167 HydrophobicContact CG2-CE 4.35Å; V164-M167 PolarHBondContact O-N 3.02Å; M167-S169 VanDerWaalsContact C-N 3.32Å; M167-S169 PolarHBondContact O-N 3.26Å; M167-Q170 WeakPolarHBondContact O-CB 3.46Å; M167-Q170 PolarHBondContact O-N 3.4Å; M167-L171 WeakPolarHBondContact O-CB 3.31Å; M167-L171 VanDerWaalsContact O-CG 3.27Å; M167-L171 WeakPolarHBondContact O-CG 3.49Å; M167-L171 PolarHBondContact O-N 3.25Å
168	V	93.5	Very high	93.3	Very high	73 Å²	73	51.4 Å²	51.4	44%	0.442	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-37.9	175.9	169.8	0	0	0	0	111	V164 G166 L171 H172	V164-V168 HydrophobicContact CG1-CG2 3.98Å; V164-V168 WeakPolarHBondContact O-CB 3.37Å; V164-V168 WeakPolarHBondContact O-CG2 3.4Å; V164-V168 PolarHBondContact O-N 3.26Å; G166-V168 PolarHBondContact O-N 3.35Å; V168-L171 PolarHBondContact O-N 2.92Å; V168-H172 WeakPolarHBondContact O-CB 3.49Å; V168-H172 PolarHBondContact O-N 3.43Å
169	S	93.2	Very high	93.3	Very high	76 Å²	76	54.8 Å²	54.8	53%	0.531	31%	0.306	S	S	.	.	H	α-helix	trans	-64.5	-41.5	173.8	-64.8	0	0	0	0	111.6	S165 G166 M167 H172 S173	S165-S169 WeakPolarHBondContact O-CB 3.3Å; S165-S169 PolarHBondContact O-N 2.9Å; S165-S169 PolarHBondContact O-OG 2.73Å; G166-S169 WeakPolarHBondContact O-CB 3.32Å; G166-S169 PolarHBondContact O-N 2.78Å; M167-S169 VanDerWaalsContact C-N 3.32Å; M167-S169 PolarHBondContact O-N 3.26Å; S169-H172 PolarHBondContact O-N 3.14Å; S169-S173 PolarHBondContact O-N 2.65Å
170	Q	91.4	Very high	93	Very high	69 Å²	69	54.2 Å²	54.2	32%	0.322	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-44.4	172.9	-173.8	-178.1	0.1	0	0	111.9	G166 M167 H172 S173 M174	G166-Q170 PolarHBondContact O-N 2.73Å; M167-Q170 WeakPolarHBondContact O-CB 3.46Å; M167-Q170 PolarHBondContact O-N 3.4Å; Q170-H172 VanDerWaalsContact C-N 3.28Å; Q170-H172 PolarHBondContact O-N 3.29Å; Q170-S173 WeakPolarHBondContact O-CB 3.23Å; Q170-S173 PolarHBondContact O-N 2.82Å; Q170-M174 HydrophobicContact CG-CE 4.12Å; Q170-M174 WeakPolarHBondContact O-CG 3.35Å; Q170-M174 PolarHBondContact O-N 2.94Å
171	L	94.4	Very high	92.7	Very high	45 Å²	45	55.1 Å²	55.1	24%	0.236	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-40.6	174.9	-74.2	166.6	0	0	0	111.6	T42 M167 V168 M174 A175	T42-L171 HydrophobicContact CG2-CD1 4.42Å; T42-L171 HydrophobicContact CG2-CD2 4Å; T42-L171 HydrophobicContact CG2-CG 3.86Å; M167-L171 WeakPolarHBondContact O-CB 3.31Å; M167-L171 VanDerWaalsContact O-CG 3.27Å; M167-L171 WeakPolarHBondContact O-CG 3.49Å; M167-L171 PolarHBondContact O-N 3.25Å; V168-L171 PolarHBondContact O-N 2.92Å; L171-M174 HydrophobicContact CD2-CE 3.79Å; L171-M174 HydrophobicContact CG-CE 4.36Å; L171-M174 PolarHBondContact O-N 3.41Å; L171-A175 WeakPolarHBondContact O-CB 3.39Å; L171-A175 PolarHBondContact O-N 3.16Å
172	H	94.5	Very high	92.5	Very high	130 Å²	130	56.4 Å²	56.4	60%	0.602	31%	0.314	S	S	*	.	H	α-helix	trans	-64.8	-42.6	176.2	-179.6	-81.8	0	0	0	112.2	V168 S169 Q170 A175 T176	V168-H172 WeakPolarHBondContact O-CB 3.49Å; V168-H172 PolarHBondContact O-N 3.43Å; S169-H172 PolarHBondContact O-N 3.14Å; Q170-H172 VanDerWaalsContact C-N 3.28Å; Q170-H172 PolarHBondContact O-N 3.29Å; H172-A175 PolarHBondContact O-N 2.81Å; H172-T176 PolarHBondContact O-N 3.41Å; H172-T176 PolarHBondContact O-OG1 3.4Å
173	S	92.3	Very high	92.3	Very high	59 Å²	59	54.6 Å²	54.6	41%	0.413	31%	0.31	S	S	.	.	H	α-helix	trans	-57.8	-54.6	172.5	-167.9	0	0	0	0	110	S169 Q170 A175 T176 D177	S169-S173 PolarHBondContact O-N 2.65Å; Q170-S173 WeakPolarHBondContact O-CB 3.23Å; Q170-S173 PolarHBondContact O-N 2.82Å; S173-A175 VanDerWaalsContact C-N 3.26Å; S173-A175 PolarHBondContact O-N 3.29Å; S173-T176 WeakPolarHBondContact O-CA 3.4Å; S173-T176 VanDerWaalsContact O-CB 3.28Å; S173-T176 WeakPolarHBondContact O-CB 3.47Å; S173-T176 PolarHBondContact O-N 3.39Å; S173-D177 VanDerWaalsContact C-OD2 3.24Å; S173-D177 PolarHBondContact O-N 2.98Å; S173-D177 PolarHBondContact OG-OD2 2.72Å
174	M	92.9	Very high	92	Very high	10 Å²	10	52 Å²	52	5%	0.049	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-38.5	-179.8	-68.3	-169.7	-66.9	0	0	112.6	T42 A46 L49 Q170 L171 D177 M178	T42-M174 HydrophobicContact CG2-CE 4.15Å; A46-M174 HydrophobicContact CB-SD 4.43Å; L49-M174 HydrophobicContact CD1-CB 3.63Å; L49-M174 HydrophobicContact CD1-CG 3.46Å; L49-M174 VanDerWaalsContact CD1-CG 3.46Å; L49-M174 HydrophobicContact CD1-SD 3.93Å; Q170-M174 HydrophobicContact CG-CE 4.12Å; Q170-M174 WeakPolarHBondContact O-CG 3.35Å; Q170-M174 PolarHBondContact O-N 2.94Å; L171-M174 HydrophobicContact CD2-CE 3.79Å; L171-M174 HydrophobicContact CG-CE 4.36Å; L171-M174 PolarHBondContact O-N 3.41Å; M174-D177 PolarHBondContact O-N 3.15Å; M174-M178 WeakPolarHBondContact O-CB 3.33Å; M174-M178 WeakPolarHBondContact O-CG 3.32Å; M174-M178 PolarHBondContact O-N 2.67Å
175	A	92.3	Very high	91.7	Very high	49 Å²	49	51.6 Å²	51.6	41%	0.405	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.1	0	0	0	0	0	112.5	L171 H172 S173 N179	L171-A175 WeakPolarHBondContact O-CB 3.39Å; L171-A175 PolarHBondContact O-N 3.16Å; H172-A175 PolarHBondContact O-N 2.81Å; S173-A175 VanDerWaalsContact C-N 3.26Å; S173-A175 PolarHBondContact O-N 3.29Å; A175-N179 WeakPolarHBondContact O-CB 3.39Å; A175-N179 PolarHBondContact O-N 2.95Å
176	T	92.4	Very high	91.6	Very high	53 Å²	53	51.8 Å²	51.8	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-44.9	175.1	-56.3	0	0	0	0	110.7	H172 S173 N179 Q180	H172-T176 PolarHBondContact O-N 3.41Å; H172-T176 PolarHBondContact O-OG1 3.4Å; S173-T176 WeakPolarHBondContact O-CA 3.4Å; S173-T176 VanDerWaalsContact O-CB 3.28Å; S173-T176 WeakPolarHBondContact O-CB 3.47Å; S173-T176 PolarHBondContact O-N 3.39Å; T176-N179 WeakPolarHBondContact O-CB 3.33Å; T176-N179 PolarHBondContact O-N 2.89Å; T176-Q180 WeakPolarHBondContact O-CG 3.39Å; T176-Q180 PolarHBondContact O-N 3.16Å
177	D	90	Very high	91.4	Very high	21 Å²	21	55.4 Å²	55.4	11%	0.112	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-46	-178.6	-57.5	-32.7	0	0	0	111.2	L49 Y126 S173 M174 N179 Q180 E181	L49-D177 HydrophobicContact CD2-CB 3.97Å; Y126-D177 HydrophobicContact CE1-CB 4.19Å; Y126-D177 WeakPolarHBondContact CE1-OD2 3.47Å; Y126-D177 HydrophobicContact CE2-CB 4.01Å; Y126-D177 VanDerWaalsContact CZ-CB 3.49Å; Y126-D177 VanDerWaalsContact CZ-OD2 3.26Å; Y126-D177 WeakPolarHBondContact OH-CB 3.5Å; Y126-D177 PolarHBondContact OH-OD1 2.79Å; Y126-D177 VanDerWaalsContact OH-OD1 3.14Å; Y126-D177 PolarHBondContact OH-OD2 2.88Å; S173-D177 VanDerWaalsContact C-OD2 3.24Å; S173-D177 PolarHBondContact O-N 2.98Å; S173-D177 PolarHBondContact OG-OD2 2.72Å; M174-D177 PolarHBondContact O-N 3.15Å; D177-N179 VanDerWaalsContact C-N 3.29Å; D177-N179 PolarHBondContact O-N 3.42Å; D177-Q180 PolarHBondContact O-N 3.24Å; D177-E181 PolarHBondContact O-N 3.47Å
178	M	92.1	Very high	91.1	Very high	45 Å²	45	55.5 Å²	55.5	22%	0.222	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-42.6	172.6	-73.2	-169.8	-69.3	0	0	111.4	T48 L49 L52 M174 Q180 E181 I182	T48-M178 HydrophobicContact CG2-SD 3.66Å; L49-M178 HydrophobicContact CD2-CB 4.31Å; L49-M178 HydrophobicContact CD2-CG 3.4Å; L49-M178 HydrophobicContact CG-CG 3.71Å; L52-M178 HydrophobicContact CD1-CB 3.93Å; L52-M178 HydrophobicContact CD1-CG 3.66Å; L52-M178 HydrophobicContact CD1-SD 4.26Å; M174-M178 WeakPolarHBondContact O-CB 3.33Å; M174-M178 WeakPolarHBondContact O-CG 3.32Å; M174-M178 PolarHBondContact O-N 2.67Å; M178-Q180 PolarHBondContact O-N 3.47Å; M178-E181 PolarHBondContact O-N 2.99Å; M178-I182 WeakPolarHBondContact O-CB 3.4Å; M178-I182 WeakPolarHBondContact O-CD1 3.15Å; M178-I182 WeakPolarHBondContact O-CG1 3.42Å; M178-I182 PolarHBondContact O-N 2.85Å
179	N	92.1	Very high	91	Very high	101 Å²	101	52.8 Å²	52.8	54%	0.54	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-38.7	178.7	-179.8	75.9	0	0	0	112.4	A175 T176 D177 T183	A175-N179 WeakPolarHBondContact O-CB 3.39Å; A175-N179 PolarHBondContact O-N 2.95Å; T176-N179 WeakPolarHBondContact O-CB 3.33Å; T176-N179 PolarHBondContact O-N 2.89Å; D177-N179 VanDerWaalsContact C-N 3.29Å; D177-N179 PolarHBondContact O-N 3.42Å; N179-T183 WeakPolarHBondContact O-CB 3.02Å; N179-T183 PolarHBondContact O-N 3.18Å; N179-T183 PolarHBondContact O-OG1 3.05Å
180	Q	89.2	Confident	90.9	Very high	102 Å²	102	52 Å²	52	48%	0.477	28%	0.278	S	S	.	.	H	α-helix	trans	-67.9	-44.5	175.4	-70.6	177.2	6.8	0	0	112.1	T176 D177 M178 T183 T184	T176-Q180 WeakPolarHBondContact O-CG 3.39Å; T176-Q180 PolarHBondContact O-N 3.16Å; D177-Q180 PolarHBondContact O-N 3.24Å; M178-Q180 PolarHBondContact O-N 3.47Å; Q180-T183 PolarHBondContact O-N 3.41Å; Q180-T184 PolarHBondContact O-N 3.05Å; Q180-T184 PolarHBondContact O-OG1 3.48Å
181	E	88.2	Confident	90.8	Very high	31 Å²	31	50 Å²	50	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-46.4	175.3	-74.5	-61.7	130.8	0	0	111.1	L52 D177 M178 T183 T184 H185	L52-E181 HydrophobicContact CB-CB 4.49Å; D177-E181 PolarHBondContact O-N 3.47Å; M178-E181 PolarHBondContact O-N 2.99Å; E181-T183 VanDerWaalsContact C-N 3.34Å; E181-T183 PolarHBondContact O-N 2.93Å; E181-T184 CarbonylContact O-C 3.6Å; E181-T184 WeakPolarHBondContact O-CB 3.19Å; E181-T184 PolarHBondContact O-N 3.3Å; E181-T184 VanDerWaalsContact O-N 3.16Å; E181-H185 PolarHBondContact O-CD2 3.32Å; E181-H185 PolarHBondContact O-N 3.07Å; E181-H185 IonicContact OE2-NE2 3.74Å
182	I	90.1	Very high	90.6	Very high	64 Å²	64	48 Å²	48	33%	0.328	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-42.1	177	-68.9	164.1	0	0	0	111.3	L52 M178 T184 H185 N186	L52-I182 HydrophobicContact CD1-CG1 4.49Å; L52-I182 HydrophobicContact CD2-CG1 4.18Å; M178-I182 WeakPolarHBondContact O-CB 3.4Å; M178-I182 WeakPolarHBondContact O-CD1 3.15Å; M178-I182 WeakPolarHBondContact O-CG1 3.42Å; M178-I182 PolarHBondContact O-N 2.85Å; I182-T184 VanDerWaalsContact C-N 3.29Å; I182-T184 PolarHBondContact O-N 3.31Å; I182-H185 PolarHBondContact O-N 3.47Å; I182-N186 WeakPolarHBondContact O-CB 3.18Å; I182-N186 VanDerWaalsContact O-CG 3.28Å; I182-N186 PolarHBondContact O-N 2.9Å; I182-N186 PolarHBondContact O-ND2 2.88Å; I182-N186 VanDerWaalsContact O-ND2 3.17Å
183	T	90.1	Very high	90.5	Very high	64 Å²	64	43.3 Å²	43.3	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-43	176.1	-60.6	0	0	0	0	110.9	N179 Q180 E181 N186 Q187	N179-T183 WeakPolarHBondContact O-CB 3.02Å; N179-T183 PolarHBondContact O-N 3.18Å; N179-T183 PolarHBondContact O-OG1 3.05Å; Q180-T183 PolarHBondContact O-N 3.41Å; E181-T183 VanDerWaalsContact C-N 3.34Å; E181-T183 PolarHBondContact O-N 2.93Å; T183-N186 PolarHBondContact O-N 2.82Å; T183-Q187 WeakPolarHBondContact O-CG 3.48Å; T183-Q187 PolarHBondContact O-N 2.85Å
184	T	87.7	Confident	90.4	Very high	10 Å²	10	43.2 Å²	43.2	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-44.9	176.4	-59.5	0	0	0	0	111.6	Y121 Q180 E181 I182 N186 Q187 I188	Y121-T184 PolarHBondContact OH-OG1 2.82Å; Y121-T184 VanDerWaalsContact OH-OG1 3.13Å; Q180-T184 PolarHBondContact O-N 3.05Å; Q180-T184 PolarHBondContact O-OG1 3.48Å; E181-T184 CarbonylContact O-C 3.6Å; E181-T184 WeakPolarHBondContact O-CB 3.19Å; E181-T184 PolarHBondContact O-N 3.3Å; E181-T184 VanDerWaalsContact O-N 3.16Å; I182-T184 VanDerWaalsContact C-N 3.29Å; I182-T184 PolarHBondContact O-N 3.31Å; T184-N186 VanDerWaalsContact C-N 3.3Å; T184-N186 PolarHBondContact O-N 3.36Å; T184-Q187 PolarHBondContact O-N 2.95Å; T184-I188 HydrophobicContact CG2-CD1 3.98Å; T184-I188 WeakPolarHBondContact O-CG1 2.89Å; T184-I188 PolarHBondContact O-N 3.45Å
185	H	89.4	Confident	90.3	Very high	7 Å²	7	43 Å²	43	3%	0.032	23%	0.228	C	C	.	.	H	α-helix	trans	-58.2	-43.6	175.9	-66.9	175.9	0	0	0	111.5	L52 G56 L59 E181 I182 Q187 I188 L189	L52-H185 PolarHBondContact O-CE1 3.45Å; L52-H185 PolarHBondContact O-NE2 3.42Å; G56-H185 WeakPolarHBondContact CA-NE2 3.35Å; G56-H185 PolarHBondContact N-NE2 3.47Å; L59-H185 HydrophobicContact CD1-CB 3.7Å; E181-H185 PolarHBondContact O-CD2 3.32Å; E181-H185 PolarHBondContact O-N 3.07Å; E181-H185 IonicContact OE2-NE2 3.74Å; I182-H185 PolarHBondContact O-N 3.47Å; H185-Q187 VanDerWaalsContact C-N 3.32Å; H185-Q187 PolarHBondContact O-N 3.14Å; H185-I188 PolarHBondContact O-N 3.33Å; H185-L189 WeakPolarHBondContact O-CB 3.16Å; H185-L189 VanDerWaalsContact O-CG 3.26Å; H185-L189 WeakPolarHBondContact O-CG 3.07Å; H185-L189 PolarHBondContact O-N 3.42Å
186	N	90	Very high	90.3	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.283	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-41.6	177.6	-75.2	-34.7	0	0	0	112.2	I182 T183 T184 L189 D190	I182-N186 WeakPolarHBondContact O-CB 3.18Å; I182-N186 VanDerWaalsContact O-CG 3.28Å; I182-N186 PolarHBondContact O-N 2.9Å; I182-N186 PolarHBondContact O-ND2 2.88Å; I182-N186 VanDerWaalsContact O-ND2 3.17Å; T183-N186 PolarHBondContact O-N 2.82Å; T184-N186 VanDerWaalsContact C-N 3.3Å; T184-N186 PolarHBondContact O-N 3.36Å; N186-L189 PolarHBondContact O-N 3.29Å; N186-D190 PolarHBondContact O-N 3.09Å
187	Q	89.6	Confident	90.3	Very high	94 Å²	94	42.8 Å²	42.8	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-66	-41	176.2	-68.4	173.8	-10.7	0	0	112.3	T183 T184 H185 D190 R191	T183-Q187 WeakPolarHBondContact O-CG 3.48Å; T183-Q187 PolarHBondContact O-N 2.85Å; T184-Q187 PolarHBondContact O-N 2.95Å; H185-Q187 VanDerWaalsContact C-N 3.32Å; H185-Q187 PolarHBondContact O-N 3.14Å; Q187-D190 PolarHBondContact O-N 3.47Å; Q187-R191 PolarHBondContact O-N 2.8Å; Q187-R191 VanDerWaalsContact O-N 3.14Å
188	I	88.9	Confident	90.3	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.046	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-42.5	177.2	-64	168.3	0	0	0	110.3	L59 R60 D63 T184 H185 D190 R191 I192	L59-I188 HydrophobicContact CB-CG2 3.86Å; R60-I188 HydrophobicContact CG-CD1 3.94Å; D63-I188 HydrophobicContact CB-CG2 4.11Å; T184-I188 HydrophobicContact CG2-CD1 3.98Å; T184-I188 WeakPolarHBondContact O-CG1 2.89Å; T184-I188 PolarHBondContact O-N 3.45Å; H185-I188 PolarHBondContact O-N 3.33Å; I188-D190 VanDerWaalsContact C-N 3.35Å; I188-D190 PolarHBondContact O-N 2.84Å; I188-R191 WeakPolarHBondContact O-CB 3.27Å; I188-R191 PolarHBondContact O-N 2.74Å; I188-R191 VanDerWaalsContact O-N 3.16Å; I188-I192 HydrophobicContact CG2-CD1 3.72Å; I188-I192 HydrophobicContact CG2-CG1 4.19Å; I188-I192 WeakPolarHBondContact O-CG1 3.48Å; I188-I192 PolarHBondContact O-N 2.97Å
189	L	91.3	Very high	90.3	Very high	16 Å²	16	41.1 Å²	41.1	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-43.9	176.7	-75.6	168.4	0	0	0	112	L59 H185 N186 R191 I192 D193 L234	L59-L189 HydrophobicContact CD1-CG 4.37Å; L59-L189 HydrophobicContact CD2-CD2 3.6Å; L59-L189 HydrophobicContact CD2-CG 4.14Å; H185-L189 WeakPolarHBondContact O-CB 3.16Å; H185-L189 VanDerWaalsContact O-CG 3.26Å; H185-L189 WeakPolarHBondContact O-CG 3.07Å; H185-L189 PolarHBondContact O-N 3.42Å; N186-L189 PolarHBondContact O-N 3.29Å; L189-R191 VanDerWaalsContact C-N 3.28Å; L189-R191 PolarHBondContact O-N 3.2Å; L189-I192 PolarHBondContact O-N 3.14Å; L189-D193 PolarHBondContact O-N 2.88Å; L189-L234 HydrophobicContact CB-CD2 4.47Å; L189-L234 HydrophobicContact CD2-CD1 3.86Å; L189-L234 HydrophobicContact CD2-CD2 4.14Å; L189-L234 HydrophobicContact CD2-CG 4.02Å
190	D	90.5	Very high	90.3	Very high	61 Å²	61	39.9 Å²	39.9	33%	0.326	20%	0.198	S	C	.	.	H	α-helix	trans	-63.2	-36.5	176.6	-74.1	-15.5	0	0	0	111.8	N186 Q187 I188 Q194 K238	N186-D190 PolarHBondContact O-N 3.09Å; Q187-D190 PolarHBondContact O-N 3.47Å; I188-D190 VanDerWaalsContact C-N 3.35Å; I188-D190 PolarHBondContact O-N 2.84Å; D190-Q194 WeakPolarHBondContact O-CG 3.36Å; D190-Q194 PolarHBondContact O-N 2.89Å; D190-K238 IonicContact OD1-NZ 2.7Å; D190-K238 PolarHBondContact OD1-NZ 3.41Å; D190-K238 IonicContact OD2-NZ 3.94Å
191	R	88.2	Confident	90.3	Very high	26 Å²	26	35.9 Å²	35.9	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-46	174.2	-173.7	172	64.7	-144.8	0.8	111.7	D63 P107 Q114 Q187 I188 L189 D193 Q194 K195	D63-R191 VanDerWaalsContact CG-NH2 3.26Å; D63-R191 IonicContact OD1-CZ 3.8Å; D63-R191 IonicContact OD1-NE 3.4Å; D63-R191 PolarHBondContact OD1-NE 3.01Å; D63-R191 IonicContact OD1-NH2 2.59Å; D63-R191 IonicContact OD2-CZ 3.73Å; D63-R191 IonicContact OD2-NE 2.66Å; D63-R191 PolarHBondContact OD2-NE 2.8Å; D63-R191 IonicContact OD2-NH2 3.01Å; D63-R191 PolarHBondContact OD2-NH2 2.69Å; P107-R191 HydrophobicContact CB-CG 4.35Å; P107-R191 HydrophobicContact CG-CG 4.1Å; Q114-R191 PolarHBondContact O-NH1 3.47Å; Q187-R191 PolarHBondContact O-N 2.8Å; Q187-R191 VanDerWaalsContact O-N 3.14Å; I188-R191 WeakPolarHBondContact O-CB 3.27Å; I188-R191 PolarHBondContact O-N 2.74Å; I188-R191 VanDerWaalsContact O-N 3.16Å; L189-R191 VanDerWaalsContact C-N 3.28Å; L189-R191 PolarHBondContact O-N 3.2Å; R191-D193 VanDerWaalsContact C-N 3.31Å; R191-D193 PolarHBondContact O-N 3.4Å; R191-Q194 PolarHBondContact O-N 2.86Å; R191-K195 HydrophobicContact CG-CD 4.27Å; R191-K195 HydrophobicContact CG-CG 4.42Å; R191-K195 VanDerWaalsContact O-CG 3.32Å; R191-K195 WeakPolarHBondContact O-CG 3.28Å; R191-K195 PolarHBondContact O-N 3.21Å
192	I	91.5	Very high	90.3	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-57.3	-45.8	176.3	-72.2	167.4	0	0	0	110.2	L59 I62 D63 M66 I188 L189 Q194 K195 A196	L59-I192 HydrophobicContact CD2-CD1 4.07Å; I62-I192 HydrophobicContact CB-CD1 4.07Å; I62-I192 HydrophobicContact CG2-CD1 3.83Å; I62-I192 HydrophobicContact CG2-CG1 4.25Å; I62-I192 HydrophobicContact CG2-CG2 4.02Å; D63-I192 HydrophobicContact CB-CD1 4.24Å; D63-I192 HydrophobicContact CB-CG1 3.88Å; M66-I192 HydrophobicContact CG-CG2 4.42Å; I188-I192 HydrophobicContact CG2-CD1 3.72Å; I188-I192 HydrophobicContact CG2-CG1 4.19Å; I188-I192 WeakPolarHBondContact O-CG1 3.48Å; I188-I192 PolarHBondContact O-N 2.97Å; L189-I192 PolarHBondContact O-N 3.14Å; I192-Q194 VanDerWaalsContact C-N 3.33Å; I192-Q194 PolarHBondContact O-N 3.47Å; I192-K195 PolarHBondContact O-N 2.84Å; I192-A196 WeakPolarHBondContact O-CB 3.46Å; I192-A196 PolarHBondContact O-N 2.81Å
193	D	91.6	Very high	90.3	Very high	31 Å²	31	35.8 Å²	35.8	17%	0.166	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-45	179.3	-173.7	69.6	0	0	0	111.3	L189 R191 A196 Q197 S231 L234	L189-D193 PolarHBondContact O-N 2.88Å; R191-D193 VanDerWaalsContact C-N 3.31Å; R191-D193 PolarHBondContact O-N 3.4Å; D193-A196 PolarHBondContact O-N 2.86Å; D193-Q197 VanDerWaalsContact O-CG 3.3Å; D193-Q197 WeakPolarHBondContact O-CG 3.35Å; D193-Q197 PolarHBondContact O-N 3.18Å; D193-Q197 PolarHBondContact OD2-NE2 3.04Å; D193-S231 WeakPolarHBondContact OD1-CB 3.29Å; D193-S231 PolarHBondContact OD1-OG 2.96Å; D193-L234 HydrophobicContact CB-CD2 3.82Å
194	Q	89.9	Confident	90.3	Very high	57 Å²	57	35.9 Å²	35.9	27%	0.266	18%	0.177	S	C	.	.	H	α-helix	trans	-64.9	-43.3	177	-70.8	174.9	17.9	0	0	112.8	P107 Y113 D190 R191 I192 A196 Q197 Y198	P107-Q194 HydrophobicContact CB-CB 4.5Å; P107-Q194 HydrophobicContact CG-CB 3.88Å; Y113-Q194 VanDerWaalsContact CZ-OE1 3.31Å; Y113-Q194 PolarHBondContact OH-NE2 3Å; Y113-Q194 PolarHBondContact OH-OE1 3.26Å; D190-Q194 WeakPolarHBondContact O-CG 3.36Å; D190-Q194 PolarHBondContact O-N 2.89Å; R191-Q194 PolarHBondContact O-N 2.86Å; I192-Q194 VanDerWaalsContact C-N 3.33Å; I192-Q194 PolarHBondContact O-N 3.47Å; Q194-A196 VanDerWaalsContact C-N 3.34Å; Q194-Q197 PolarHBondContact O-N 2.86Å; Q194-Y198 PolarHBondContact O-N 3.2Å; Q194-Y198 VanDerWaalsContact O-N 3.09Å
195	K	91.2	Very high	90.3	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-42.4	175.7	-66.1	-179.6	162.8	-179	0	111.2	D63 M66 D67 Y106 P107 R191 I192 Y198 N199	D63-K195 PolarHBondContact O-NZ 3.34Å; D63-K195 WeakPolarHBondContact OD1-CD 3.43Å; D63-K195 WeakPolarHBondContact OD1-CE 3.26Å; D63-K195 IonicContact OD1-NZ 2.77Å; D63-K195 PolarHBondContact OD1-NZ 2.94Å; D63-K195 IonicContact OD2-NZ 3.61Å; D63-K195 PolarHBondContact OD2-NZ 3.22Å; M66-K195 HydrophobicContact CB-CB 3.71Å; M66-K195 HydrophobicContact CB-CD 3.68Å; M66-K195 HydrophobicContact CB-CG 4.34Å; M66-K195 HydrophobicContact CG-CB 4.04Å; M66-K195 HydrophobicContact CG-CD 4.45Å; D67-K195 WeakPolarHBondContact OD1-CE 3.38Å; D67-K195 IonicContact OD1-NZ 2.98Å; D67-K195 PolarHBondContact OD1-NZ 2.82Å; D67-K195 IonicContact OD2-NZ 3.26Å; D67-K195 PolarHBondContact OD2-NZ 3.37Å; Y106-K195 HydrophobicContact CD2-CB 4.47Å; Y106-K195 HydrophobicContact CD2-CG 4.35Å; Y106-K195 HydrophobicContact CE1-CD 4.36Å; Y106-K195 HydrophobicContact CE1-CG 4.11Å; Y106-K195 HydrophobicContact CE2-CB 3.63Å; Y106-K195 HydrophobicContact CE2-CD 4.33Å; Y106-K195 HydrophobicContact CE2-CG 3.59Å; Y106-K195 VanDerWaalsContact CZ-CG 3.45Å; Y106-K195 WeakPolarHBondContact OH-CD 3.43Å; Y106-K195 WeakPolarHBondContact OH-CE 3.5Å; Y106-K195 WeakPolarHBondContact OH-CG 3.23Å; P107-K195 HydrophobicContact CG-CB 4.48Å; P107-K195 HydrophobicContact CG-CD 4.47Å; P107-K195 HydrophobicContact CG-CG 3.42Å; P107-K195 VanDerWaalsContact CG-CG 3.42Å; R191-K195 HydrophobicContact CG-CD 4.27Å; R191-K195 HydrophobicContact CG-CG 4.42Å; R191-K195 VanDerWaalsContact O-CG 3.32Å; R191-K195 WeakPolarHBondContact O-CG 3.28Å; R191-K195 PolarHBondContact O-N 3.21Å; I192-K195 PolarHBondContact O-N 2.84Å; K195-Y198 WeakPolarHBondContact O-CB 3.33Å; K195-Y198 PolarHBondContact O-N 3.02Å; K195-N199 WeakPolarHBondContact O-CB 3.43Å; K195-N199 VanDerWaalsContact O-CG 3.25Å; K195-N199 PolarHBondContact O-N 3.45Å
196	A	92.9	Very high	90.1	Very high	11 Å²	11	36.7 Å²	36.7	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-43.6	178.5	0	0	0	0	0	111.6	M66 I192 D193 Q194 Y198 N199 Q200	M66-A196 HydrophobicContact SD-CB 4.25Å; I192-A196 WeakPolarHBondContact O-CB 3.46Å; I192-A196 PolarHBondContact O-N 2.81Å; D193-A196 PolarHBondContact O-N 2.86Å; Q194-A196 VanDerWaalsContact C-N 3.34Å; A196-Y198 VanDerWaalsContact C-N 3.33Å; A196-Y198 PolarHBondContact O-N 3.35Å; A196-N199 PolarHBondContact O-N 3.13Å; A196-Q200 VanDerWaalsContact O-CB 3.23Å; A196-Q200 WeakPolarHBondContact O-CB 3.46Å; A196-Q200 PolarHBondContact O-N 2.95Å
197	Q	91	Very high	90	Very high	88 Å²	88	37.6 Å²	37.6	41%	0.411	18%	0.184	S	C	.	.	H	α-helix	trans	-61.7	-40.4	175	-71.1	179.9	33.9	0	0	112.2	P104 D193 Q194 S201	P104-Q197 HydrophobicContact CG-CB 4.04Å; D193-Q197 VanDerWaalsContact O-CG 3.3Å; D193-Q197 WeakPolarHBondContact O-CG 3.35Å; D193-Q197 PolarHBondContact O-N 3.18Å; D193-Q197 PolarHBondContact OD2-NE2 3.04Å; Q194-Q197 PolarHBondContact O-N 2.86Å; Q197-S201 PolarHBondContact O-N 3.16Å; Q197-S201 VanDerWaalsContact O-N 3.14Å
198	Y	90.1	Very high	89.9	Confident	29 Å²	29	36.2 Å²	36.2	11%	0.114	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-52.9	173.8	177.2	-98.5	0	0	0	111.7	R70 H74 P104 Y106 Q194 K195 A196 Q200 S201 Q202	R70-Y198 HydrophobicContact CG-CD1 4.4Å; R70-Y198 HydrophobicContact CG-CE1 3.84Å; H74-Y198 PolarHBondContact CE1-OH 2.97Å; H74-Y198 PolarHBondContact NE2-OH 3.06Å; P104-Y198 WeakPolarHBondContact O-CD2 3.24Å; Y106-Y198 AromaticContact CD2-CD1 3.25Å; Y106-Y198 HydrophobicContact CD2-CD1 3.25Å; Y106-Y198 AromaticContact CD2-CE1 3.91Å; Y106-Y198 HydrophobicContact CD2-CE1 3.91Å; Y106-Y198 AromaticContact CD2-CG 3.59Å; Y106-Y198 HydrophobicContact CD2-CG 3.59Å; Y106-Y198 AromaticContact CE2-CD1 3.9Å; Y106-Y198 HydrophobicContact CE2-CD1 3.9Å; Y106-Y198 HydrophobicContact CE2-CG 4.49Å; Y106-Y198 HydrophobicContact CG-CD1 4.11Å; Y106-Y198 HydrophobicContact CG-CE1 4.43Å; Y106-Y198 HydrophobicContact CG-CG 4.36Å; Q194-Y198 PolarHBondContact O-N 3.2Å; Q194-Y198 VanDerWaalsContact O-N 3.09Å; K195-Y198 WeakPolarHBondContact O-CB 3.33Å; K195-Y198 PolarHBondContact O-N 3.02Å; A196-Y198 VanDerWaalsContact C-N 3.33Å; A196-Y198 PolarHBondContact O-N 3.35Å; Y198-Q200 VanDerWaalsContact C-N 3.26Å; Y198-Q200 PolarHBondContact O-N 3.32Å; Y198-S201 WeakPolarHBondContact O-CB 3.49Å; Y198-S201 PolarHBondContact O-N 3.4Å; Y198-S201 VanDerWaalsContact O-N 3.07Å; Y198-Q202 HydrophobicContact CD1-CG 3.93Å; Y198-Q202 HydrophobicContact CD2-CG 4.35Å; Y198-Q202 HydrophobicContact CE1-CG 3.51Å; Y198-Q202 HydrophobicContact CE2-CG 3.99Å; Y198-Q202 HydrophobicContact CG-CG 4.37Å; Y198-Q202 WeakPolarHBondContact O-CG 3.17Å; Y198-Q202 PolarHBondContact O-N 3.42Å
199	N	92	Very high	89.6	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-40	-179.6	-72	-7.3	0	0	0	111.3	M66 I69 R70 L73 K195 A196 S201 Q202 L203	M66-N199 PolarHBondContact O-ND2 2.83Å; I69-N199 HydrophobicContact CG2-CB 4.03Å; R70-N199 WeakPolarHBondContact CB-OD1 3.49Å; L73-N199 HydrophobicContact CD1-CB 4.01Å; L73-N199 VanDerWaalsContact CD1-O 3.26Å; L73-N199 WeakPolarHBondContact CD1-O 3.02Å; K195-N199 WeakPolarHBondContact O-CB 3.43Å; K195-N199 VanDerWaalsContact O-CG 3.25Å; K195-N199 PolarHBondContact O-N 3.45Å; A196-N199 PolarHBondContact O-N 3.13Å; N199-S201 PolarHBondContact O-N 3.26Å; N199-Q202 PolarHBondContact O-N 2.51Å; N199-L203 VanDerWaalsContact O-CB 3.27Å; N199-L203 WeakPolarHBondContact O-CB 3.36Å; N199-L203 PolarHBondContact O-N 3.4Å
200	Q	92.4	Very high	89.4	Confident	76 Å²	76	36.8 Å²	36.8	36%	0.355	18%	0.183	S	C	.	.	H	α-helix	trans	-58.5	-47.9	174.1	-178.9	59.6	39.2	0	0	111.6	A196 Y198 Q202 L203 E204	A196-Q200 VanDerWaalsContact O-CB 3.23Å; A196-Q200 WeakPolarHBondContact O-CB 3.46Å; A196-Q200 PolarHBondContact O-N 2.95Å; Y198-Q200 VanDerWaalsContact C-N 3.26Å; Y198-Q200 PolarHBondContact O-N 3.32Å; Q200-Q202 VanDerWaalsContact C-N 3.32Å; Q200-Q202 PolarHBondContact O-N 3.26Å; Q200-L203 PolarHBondContact O-N 2.84Å; Q200-E204 PolarHBondContact NE2-OE1 3.48Å; Q200-E204 WeakPolarHBondContact O-CG 3.37Å; Q200-E204 PolarHBondContact O-N 3.19Å
201	S	90	Very high	89.1	Confident	17 Å²	17	35.1 Å²	35.1	12%	0.119	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-38.3	177.8	-171.4	0	0	0	0	112.4	T103 Q197 Y198 N199 F205	T103-S201 WeakPolarHBondContact CG2-OG 3.24Å; Q197-S201 PolarHBondContact O-N 3.16Å; Q197-S201 VanDerWaalsContact O-N 3.14Å; Y198-S201 WeakPolarHBondContact O-CB 3.49Å; Y198-S201 PolarHBondContact O-N 3.4Å; Y198-S201 VanDerWaalsContact O-N 3.07Å; N199-S201 PolarHBondContact O-N 3.26Å; S201-F205 PolarHBondContact O-N 2.91Å; S201-F205 VanDerWaalsContact O-N 3.13Å
202	Q	87.5	Confident	88.8	Confident	20 Å²	20	37.9 Å²	37.9	9%	0.093	19%	0.186	C	C	.	.	H	α-helix	trans	-69.9	-38.3	178.1	-67.9	-61.1	105.4	0	0	112	L73 Q77 Y198 N199 Q200 F205 A206	L73-Q202 HydrophobicContact CB-CB 4.3Å; L73-Q202 HydrophobicContact CD1-CB 3.9Å; Q77-Q202 PolarHBondContact NE2-O 3.39Å; Q77-Q202 VanDerWaalsContact OE1-NE2 3.12Å; Y198-Q202 HydrophobicContact CD1-CG 3.93Å; Y198-Q202 HydrophobicContact CD2-CG 4.35Å; Y198-Q202 HydrophobicContact CE1-CG 3.51Å; Y198-Q202 HydrophobicContact CE2-CG 3.99Å; Y198-Q202 HydrophobicContact CG-CG 4.37Å; Y198-Q202 WeakPolarHBondContact O-CG 3.17Å; Y198-Q202 PolarHBondContact O-N 3.42Å; N199-Q202 PolarHBondContact O-N 2.51Å; Q200-Q202 VanDerWaalsContact C-N 3.32Å; Q200-Q202 PolarHBondContact O-N 3.26Å; Q202-F205 PolarHBondContact O-N 3.2Å; Q202-A206 WeakPolarHBondContact O-CB 3.2Å; Q202-A206 PolarHBondContact O-N 3.45Å
203	L	91.2	Very high	88.1	Confident	74 Å²	74	39.5 Å²	39.5	39%	0.387	20%	0.195	S	C	.	.	H	α-helix	trans	-65.3	-46.6	175.3	178.4	62.3	0	0	0	111.3	L73 N199 Q200 F205 A206 Q207	L73-L203 HydrophobicContact CD1-CB 4.2Å; L73-L203 HydrophobicContact CD2-CB 3.87Å; L73-L203 HydrophobicContact CD2-CD1 3.8Å; L73-L203 HydrophobicContact CD2-CG 4.45Å; N199-L203 VanDerWaalsContact O-CB 3.27Å; N199-L203 WeakPolarHBondContact O-CB 3.36Å; N199-L203 PolarHBondContact O-N 3.4Å; Q200-L203 PolarHBondContact O-N 2.84Å; L203-F205 VanDerWaalsContact C-N 3.29Å; L203-F205 PolarHBondContact O-N 3.49Å; L203-A206 PolarHBondContact O-N 3.37Å; L203-Q207 WeakPolarHBondContact O-CB 3.47Å; L203-Q207 PolarHBondContact O-N 3.3Å
204	E	89.6	Confident	87.6	Confident	65 Å²	65	43.4 Å²	43.4	30%	0.304	22%	0.215	S	C	.	.	H	α-helix	trans	-59.3	-41.3	175.7	-75.7	174.9	-160.3	0	0	112	Q200 Q207 K208	Q200-E204 PolarHBondContact NE2-OE1 3.48Å; Q200-E204 WeakPolarHBondContact O-CG 3.37Å; Q200-E204 PolarHBondContact O-N 3.19Å; E204-Q207 PolarHBondContact O-N 3.46Å; E204-K208 WeakPolarHBondContact O-CB 3.37Å; E204-K208 VanDerWaalsContact O-CG 3.23Å; E204-K208 WeakPolarHBondContact O-CG 3.37Å; E204-K208 PolarHBondContact O-N 3.48Å
205	F	86.8	Confident	86.8	Confident	27 Å²	27	44 Å²	44	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-46.8	175.6	176.7	-97.4	0	0	0	111.9	Q77 V97 P99 S201 Q202 L203 Q207 K208 K209	Q77-F205 HydrophobicContact CG-CD1 4.26Å; Q77-F205 HydrophobicContact CG-CE1 4.46Å; V97-F205 HydrophobicContact CB-CE2 3.81Å; V97-F205 HydrophobicContact CB-CZ 4.26Å; V97-F205 HydrophobicContact CG1-CD2 3.78Å; V97-F205 HydrophobicContact CG1-CE2 3.45Å; V97-F205 VanDerWaalsContact CG1-CE2 3.45Å; V97-F205 HydrophobicContact CG1-CZ 4.34Å; P99-F205 HydrophobicContact CB-CE2 4.46Å; S201-F205 PolarHBondContact O-N 2.91Å; S201-F205 VanDerWaalsContact O-N 3.13Å; Q202-F205 PolarHBondContact O-N 3.2Å; L203-F205 VanDerWaalsContact C-N 3.29Å; L203-F205 PolarHBondContact O-N 3.49Å; F205-Q207 VanDerWaalsContact C-N 3.34Å; F205-Q207 PolarHBondContact O-N 2.95Å; F205-K208 PolarHBondContact O-N 3.5Å; F205-K209 WeakPolarHBondContact O-CB 3.42Å; F205-K209 PolarHBondContact O-N 3.46Å; F205-K209 VanDerWaalsContact O-N 3.11Å
206	A	87	Confident	85.7	Confident	7 Å²	7	50 Å²	50	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-43.4	177.2	0	0	0	0	0	111.4	Q77 L80 Q202 L203 K209 A210	Q77-A206 HydrophobicContact CG-CB 4.28Å; L80-A206 HydrophobicContact CD1-CB 4.05Å; L80-A206 VanDerWaalsContact CD1-O 3.24Å; L80-A206 WeakPolarHBondContact CD1-O 3.45Å; Q202-A206 WeakPolarHBondContact O-CB 3.2Å; Q202-A206 PolarHBondContact O-N 3.45Å; L203-A206 PolarHBondContact O-N 3.37Å; A206-K209 WeakPolarHBondContact O-CB 3.16Å; A206-K209 PolarHBondContact O-N 2.87Å; A206-A210 WeakPolarHBondContact O-CB 3.42Å; A206-A210 PolarHBondContact O-N 3.2Å
207	Q	86.9	Confident	83.9	Confident	72 Å²	72	54.7 Å²	54.7	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-47.1	178.7	-169.1	178.2	5.6	0	0	112.2	L203 E204 F205 K209 A210 D211	L203-Q207 WeakPolarHBondContact O-CB 3.47Å; L203-Q207 PolarHBondContact O-N 3.3Å; E204-Q207 PolarHBondContact O-N 3.46Å; F205-Q207 VanDerWaalsContact C-N 3.34Å; F205-Q207 PolarHBondContact O-N 2.95Å; Q207-K209 PolarHBondContact O-N 3.2Å; Q207-A210 PolarHBondContact O-N 3.11Å; Q207-D211 WeakPolarHBondContact O-CB 3.34Å; Q207-D211 PolarHBondContact O-N 3.03Å
208	K	86.8	Confident	82	Confident	66 Å²	66	54.8 Å²	54.8	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-55.4	-37.8	175	-74.9	169.2	-170.7	168	0	111.7	D100 E204 F205 K212	D100-K208 IonicContact OD2-NZ 3.73Å; D100-K208 PolarHBondContact OD2-NZ 3.25Å; E204-K208 WeakPolarHBondContact O-CB 3.37Å; E204-K208 VanDerWaalsContact O-CG 3.23Å; E204-K208 WeakPolarHBondContact O-CG 3.37Å; E204-K208 PolarHBondContact O-N 3.48Å; F205-K208 PolarHBondContact O-N 3.5Å; K208-K212 WeakPolarHBondContact O-CB 3.4Å; K208-K212 PolarHBondContact O-N 2.98Å
209	K	83.9	Confident	80.2	Confident	11 Å²	11	61 Å²	61	5%	0.048	32%	0.321	C	S	.	.	H	α-helix	trans	-73.2	-45.2	179	-173.8	178.7	179.3	-170.4	0	112	Q77 L80 D81 V97 F205 A206 Q207 D211 K212 I213	Q77-K209 PolarHBondContact O-NZ 2.92Å; L80-K209 VanDerWaalsContact C-CE 3.49Å; L80-K209 HydrophobicContact CB-CD 3.69Å; L80-K209 HydrophobicContact CB-CG 4.14Å; L80-K209 HydrophobicContact CD1-CB 4.28Å; L80-K209 HydrophobicContact CD1-CD 4.28Å; L80-K209 HydrophobicContact CD1-CG 4.42Å; L80-K209 WeakPolarHBondContact O-CE 3.18Å; D81-K209 VanDerWaalsContact CA-NZ 3.3Å; D81-K209 IonicContact OD1-NZ 3.63Å; D81-K209 PolarHBondContact OD1-NZ 2.94Å; D81-K209 IonicContact OD2-NZ 2.63Å; D81-K209 PolarHBondContact OD2-NZ 2.97Å; V97-K209 HydrophobicContact CG2-CB 4.17Å; V97-K209 HydrophobicContact CG2-CG 4.38Å; F205-K209 WeakPolarHBondContact O-CB 3.42Å; F205-K209 PolarHBondContact O-N 3.46Å; F205-K209 VanDerWaalsContact O-N 3.11Å; A206-K209 WeakPolarHBondContact O-CB 3.16Å; A206-K209 PolarHBondContact O-N 2.87Å; Q207-K209 PolarHBondContact O-N 3.2Å; K209-D211 VanDerWaalsContact C-N 3.35Å; K209-D211 PolarHBondContact O-N 3.01Å; K209-K212 PolarHBondContact O-N 3.31Å; K209-I213 HydrophobicContact CG-CD1 4.19Å; K209-I213 WeakPolarHBondContact O-CG1 3.37Å; K209-I213 PolarHBondContact O-N 3.2Å
210	A	86.4	Confident	78.1	Confident	26 Å²	26	64.6 Å²	64.6	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-57.4	-47.4	174.9	0	0	0	0	0	111.5	L80 A206 Q207 K212 I213 L214	L80-A210 HydrophobicContact CD1-CB 4.29Å; L80-A210 HydrophobicContact CD2-CB 3.82Å; A206-A210 WeakPolarHBondContact O-CB 3.42Å; A206-A210 PolarHBondContact O-N 3.2Å; Q207-A210 PolarHBondContact O-N 3.11Å; A210-K212 VanDerWaalsContact C-N 3.32Å; A210-K212 PolarHBondContact O-N 3.4Å; A210-I213 WeakPolarHBondContact O-CB 3.47Å; A210-I213 PolarHBondContact O-N 3.23Å; A210-I213 VanDerWaalsContact O-N 3.09Å; A210-L214 WeakPolarHBondContact O-CG 3.37Å; A210-L214 PolarHBondContact O-N 3.04Å
211	D	85.1	Confident	75.8	Confident	25 Å²	25	67.3 Å²	67.3	13%	0.134	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-39.9	179.4	-75.4	5.9	0	0	0	112.3	Q207 K209 I213 L214 G215 Q216 W218	Q207-D211 WeakPolarHBondContact O-CB 3.34Å; Q207-D211 PolarHBondContact O-N 3.03Å; K209-D211 VanDerWaalsContact C-N 3.35Å; K209-D211 PolarHBondContact O-N 3.01Å; D211-I213 VanDerWaalsContact C-N 3.31Å; D211-I213 PolarHBondContact O-N 2.81Å; D211-L214 CarbonylContact O-C 3.58Å; D211-L214 PolarHBondContact O-N 3.37Å; D211-G215 PolarHBondContact O-N 3.07Å; D211-Q216 PolarHBondContact O-N 2.94Å; D211-Q216 VanDerWaalsContact O-N 3.07Å; D211-W218 HydrophobicContact CB-CB 4.21Å; D211-W218 WeakPolarHBondContact OD2-CA 3.39Å; D211-W218 WeakPolarHBondContact OD2-CB 3.34Å
212	K	81	Confident	73.6	Confident	84 Å²	84	74.4 Å²	74.4	37%	0.365	40%	0.398	S	S	.	.	H	α-helix	trans	-63.7	-36.6	174.8	-172.1	173.9	-174.2	179.1	0	112.4	W94 R95 V97 K208 K209 A210 G215	W94-K212 PolarHBondContact O-NZ 2.85Å; R95-K212 VanDerWaalsContact CA-NZ 3.34Å; R95-K212 WeakPolarHBondContact O-CE 3.42Å; R95-K212 PolarHBondContact O-NZ 3.22Å; V97-K212 HydrophobicContact CG2-CD 4.01Å; K208-K212 WeakPolarHBondContact O-CB 3.4Å; K208-K212 PolarHBondContact O-N 2.98Å; K209-K212 PolarHBondContact O-N 3.31Å; A210-K212 VanDerWaalsContact C-N 3.32Å; A210-K212 PolarHBondContact O-N 3.4Å; K212-G215 PolarHBondContact O-N 3.34Å
213	I	76.7	Confident	71.4	Confident	38 Å²	38	81.7 Å²	81.7	20%	0.195	43%	0.43	C	S	.	.	H	α-helix	trans	-67.4	-43.8	174.9	-72.8	164.3	0	0	0	110.3	L80 I83 D84 K209 A210 D211 G215	L80-I213 HydrophobicContact CB-CD1 4.22Å; L80-I213 HydrophobicContact CD2-CD1 3.86Å; I83-I213 HydrophobicContact CB-CD1 4.41Å; I83-I213 HydrophobicContact CG2-CD1 4.28Å; I83-I213 HydrophobicContact CG2-CG2 3.58Å; D84-I213 HydrophobicContact CB-CD1 4.3Å; K209-I213 HydrophobicContact CG-CD1 4.19Å; K209-I213 WeakPolarHBondContact O-CG1 3.37Å; K209-I213 PolarHBondContact O-N 3.2Å; A210-I213 WeakPolarHBondContact O-CB 3.47Å; A210-I213 PolarHBondContact O-N 3.23Å; A210-I213 VanDerWaalsContact O-N 3.09Å; D211-I213 VanDerWaalsContact C-N 3.31Å; D211-I213 PolarHBondContact O-N 2.81Å; I213-G215 PolarHBondContact O-N 3.5Å
214	L	80.4	Confident	69	Low	113 Å²	113	82.6 Å²	82.6	59%	0.592	44%	0.442	S	S	*	.	H	α-helix	trans	-72.8	-12	179	-66.3	174.5	0	0	0	113.9	A210 D211 Q216	A210-L214 WeakPolarHBondContact O-CG 3.37Å; A210-L214 PolarHBondContact O-N 3.04Å; D211-L214 CarbonylContact O-C 3.58Å; D211-L214 PolarHBondContact O-N 3.37Å; L214-Q216 HydrophobicContact CB-CG 4.2Å; L214-Q216 PolarHBondContact O-N 3.27Å
215	G	73.7	Confident	66.7	Low	70 Å²	70	86.1 Å²	86.1	72%	0.722	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	16.7	-176	0	0	0	0	0	113.6	D211 K212 I213	D211-G215 PolarHBondContact O-N 3.07Å; K212-G215 PolarHBondContact O-N 3.34Å; I213-G215 PolarHBondContact O-N 3.5Å
216	Q	68.8	Low	64.5	Low	129 Å²	129	89.5 Å²	89.5	60%	0.603	48%	0.482	S	S	*	.			trans	-93.3	142	176.8	-61.8	-175.2	12.2	0	0	109.7	D211 L214 W218	D211-Q216 PolarHBondContact O-N 2.94Å; D211-Q216 VanDerWaalsContact O-N 3.07Å; L214-Q216 HydrophobicContact CB-CG 4.2Å; L214-Q216 PolarHBondContact O-N 3.27Å; Q216-W218 PolarHBondContact O-N 3.45Å
217	S	54.3	Low	62.6	Low	110 Å²	110	96.5 Å²	96.5	77%	0.769	52%	0.517	S	S	*	.			trans	-76.3	112.9	170.9	-177.3	0	0	0	0	108.5	K219	S217-K219 PolarHBondContact O-N 2.92Å
218	W	51.2	Low	60.7	Low	91 Å²	91	94.1 Å²	94.1	35%	0.345	51%	0.506	S	S	.	.			trans	-50	126.7	173.3	179.8	76.2	0	0	0	110.7	D211 Q216 P220	D211-W218 HydrophobicContact CB-CB 4.21Å; D211-W218 WeakPolarHBondContact OD2-CA 3.39Å; D211-W218 WeakPolarHBondContact OD2-CB 3.34Å; Q216-W218 PolarHBondContact O-N 3.45Å; W218-P220 HydrophobicContact CE3-CG 4.36Å; W218-P220 HydrophobicContact CH2-CB 3.55Å; W218-P220 HydrophobicContact CH2-CG 3.45Å; W218-P220 VanDerWaalsContact CH2-CG 3.45Å; W218-P220 HydrophobicContact CZ2-CB 3.44Å; W218-P220 VanDerWaalsContact CZ2-CB 3.44Å; W218-P220 HydrophobicContact CZ2-CG 3.86Å; W218-P220 HydrophobicContact CZ3-CB 4.27Å; W218-P220 VanDerWaalsContact CZ3-CD 3.5Å; W218-P220 HydrophobicContact CZ3-CG 3.73Å
219	K	51.9	Low	58.5	Low	159 Å²	159	93.5 Å²	93.5	69%	0.691	51%	0.509	S	S	*	.			trans	-117.8	123.1	160.8	-67.7	-178.8	-177.9	177.7	0	105.1	S217 D221	S217-K219 PolarHBondContact O-N 2.92Å; K219-D221 PolarHBondContact O-N 3.09Å
220	P	49.5	Very low	56.6	Low	77 Å²	77	94.8 Å²	94.8	50%	0.5	52%	0.52	S	S	.	.			trans	-61.7	114	165.6	21.4	-21.5	0	0	0	105.8	W218 N222	W218-P220 HydrophobicContact CE3-CG 4.36Å; W218-P220 HydrophobicContact CH2-CB 3.55Å; W218-P220 HydrophobicContact CH2-CG 3.45Å; W218-P220 VanDerWaalsContact CH2-CG 3.45Å; W218-P220 HydrophobicContact CZ2-CB 3.44Å; W218-P220 VanDerWaalsContact CZ2-CB 3.44Å; W218-P220 HydrophobicContact CZ2-CG 3.86Å; W218-P220 HydrophobicContact CZ3-CB 4.27Å; W218-P220 VanDerWaalsContact CZ3-CD 3.5Å; W218-P220 HydrophobicContact CZ3-CG 3.73Å; P220-N222 PolarHBondContact O-N 3Å
221	D	44.1	Very low	54.6	Low	133 Å²	133	96 Å²	96	71%	0.711	53%	0.527	S	S	*	.			trans	-60.2	106	169.4	-64.6	-24.9	0	0	0	106.5	K219 K223	K219-D221 PolarHBondContact O-N 3.09Å; D221-K223 PolarHBondContact O-N 2.84Å
222	N	43.9	Very low	52.8	Low	166 Å²	166	99.9 Å²	99.9	89%	0.888	55%	0.551	S	S	*	*			trans	-70.2	36.5	172.2	-172.5	27.1	0	0	0	111.4	P220	P220-N222 PolarHBondContact O-N 3Å
223	K	41.2	Very low	51.3	Low	173 Å²	173	99.3 Å²	99.3	75%	0.752	56%	0.555	S	S	*	*			trans	-104.4	106.7	163	-78.1	-173.9	179.4	179.2	0	105.4	D221 N225	D221-K223 PolarHBondContact O-N 2.84Å; K223-N225 PolarHBondContact O-N 2.59Å
224	S	40.2	Very low	49.9	Very low	93 Å²	93	98.9 Å²	98.9	65%	0.65	55%	0.553	S	S	*	*			trans	-56.3	66.8	167.8	64.7	0	0	0	0	111.3	N226	S224-N226 PolarHBondContact O-N 3.35Å; S224-N226 VanDerWaalsContact O-N 3.08Å
225	N	40.2	Very low	48.3	Very low	138 Å²	138	96.5 Å²	96.5	74%	0.738	54%	0.543	S	S	*	.			trans	-79.7	81.6	154.3	-77.8	2.3	0	0	0	104.3	K223 I227	K223-N225 PolarHBondContact O-N 2.59Å; N225-I227 PolarHBondContact O-N 3.4Å
226	N	41.3	Very low	47.1	Very low	99 Å²	99	95.2 Å²	95.2	53%	0.529	53%	0.525	S	S	.	.			trans	-59.9	78.4	169	-65.2	-25	0	0	0	107.7	S224 L228	S224-N226 PolarHBondContact O-N 3.35Å; S224-N226 VanDerWaalsContact O-N 3.08Å; N226-L228 PolarHBondContact O-N 3.2Å
227	I	47.6	Very low	46.2	Very low	153 Å²	153	90.9 Å²	90.9	79%	0.785	51%	0.512	S	S	*	.	S	Bend	trans	-67	-24.6	165.3	-66.9	171.3	0	0	0	108.5	N225	N225-I227 PolarHBondContact O-N 3.4Å
228	L	46.4	Very low	45.8	Very low	22 Å²	22	89.3 Å²	89.3	12%	0.115	49%	0.491	C	S	.	.	S	Bend	trans	-114.9	131.9	171.4	-68.5	161.4	0	0	0	108.9	M66 I69 N226 S230	M66-L228 HydrophobicContact CE-CD2 3.55Å; M66-L228 HydrophobicContact SD-CD2 3.52Å; M66-L228 VanDerWaalsContact SD-CD2 3.52Å; I69-L228 HydrophobicContact CD1-CD2 4.12Å; N226-L228 PolarHBondContact O-N 3.2Å; L228-S230 PolarHBondContact O-N 3.49Å
229	P	41.6	Very low	46	Very low	54 Å²	54	91.7 Å²	91.7	35%	0.351	51%	0.508	S	S	.	.			trans	-59.9	114.3	171.2	24.2	-30.2	0	0	0	107.8	L234	P229-L234 HydrophobicContact CB-CD1 4.47Å
230	S	42.3	Very low	46	Very low	38 Å²	38	92 Å²	92	27%	0.266	51%	0.514	S	S	.	.			trans	-54	145	176.1	70.4	0	0	0	0	110.3	L228 T232 T233 L234	L228-S230 PolarHBondContact O-N 3.49Å; S230-T232 WeakPolarHBondContact CB-OG1 3.35Å; S230-T232 PolarHBondContact O-N 2.95Å; S230-T232 PolarHBondContact OG-OG1 2.97Å; S230-T233 PolarHBondContact N-OG1 3.42Å; S230-T233 VanDerWaalsContact N-OG1 3.16Å; S230-T233 PolarHBondContact O-N 3.19Å; S230-T233 PolarHBondContact O-OG1 2.96Å; S230-T233 PolarHBondContact OG-N 3.46Å; S230-T233 PolarHBondContact OG-OG1 3.4Å; S230-L234 PolarHBondContact O-N 3.45Å; S230-L234 VanDerWaalsContact O-N 3.1Å
231	S	45.4	Very low	46.2	Very low	51 Å²	51	93.3 Å²	93.3	36%	0.357	51%	0.514	S	S	.	.	H	α-helix	trans	-50.2	-30.2	173.7	-179.6	0	0	0	0	112.3	D193 L234 T235	D193-S231 WeakPolarHBondContact OD1-CB 3.29Å; D193-S231 PolarHBondContact OD1-OG 2.96Å; S231-L234 PolarHBondContact O-N 3.47Å; S231-T235 VanDerWaalsContact O-CB 3.22Å; S231-T235 WeakPolarHBondContact O-CB 3.47Å; S231-T235 PolarHBondContact O-N 3.06Å; S231-T235 PolarHBondContact O-OG1 3.21Å
232	T	46.9	Very low	46.1	Very low	107 Å²	107	98 Å²	98	66%	0.656	53%	0.529	S	S	*	.	H	α-helix	trans	-65.6	-42.5	173.3	29.9	0	0	0	0	113.9	S230 A236	S230-T232 WeakPolarHBondContact CB-OG1 3.35Å; S230-T232 PolarHBondContact O-N 2.95Å; S230-T232 PolarHBondContact OG-OG1 2.97Å; T232-A236 WeakPolarHBondContact O-CB 3.09Å; T232-A236 PolarHBondContact O-N 3.19Å
233	T	50.4	Low	46.2	Very low	71 Å²	71	94.7 Å²	94.7	44%	0.436	51%	0.511	S	S	.	.	H	α-helix	trans	-68.7	-37.1	174.2	21.8	0	0	0	0	112	S230 A236 A237	S230-T233 PolarHBondContact N-OG1 3.42Å; S230-T233 VanDerWaalsContact N-OG1 3.16Å; S230-T233 PolarHBondContact O-N 3.19Å; S230-T233 PolarHBondContact O-OG1 2.96Å; S230-T233 PolarHBondContact OG-N 3.46Å; S230-T233 PolarHBondContact OG-OG1 3.4Å; T233-A236 PolarHBondContact O-N 3.25Å; T233-A237 WeakPolarHBondContact O-CB 3.47Å; T233-A237 PolarHBondContact O-N 2.89Å
234	L	46.6	Very low	46.5	Very low	29 Å²	29	90.5 Å²	90.5	15%	0.152	50%	0.498	C	S	.	.	H	α-helix	trans	-70.2	-39.1	176.5	-140.3	78.1	0	0	0	111.6	L189 D193 P229 S230 S231 A237 K238	L189-L234 HydrophobicContact CB-CD2 4.47Å; L189-L234 HydrophobicContact CD2-CD1 3.86Å; L189-L234 HydrophobicContact CD2-CD2 4.14Å; L189-L234 HydrophobicContact CD2-CG 4.02Å; D193-L234 HydrophobicContact CB-CD2 3.82Å; P229-L234 HydrophobicContact CB-CD1 4.47Å; S230-L234 PolarHBondContact O-N 3.45Å; S230-L234 VanDerWaalsContact O-N 3.1Å; S231-L234 PolarHBondContact O-N 3.47Å; L234-A237 PolarHBondContact O-N 3.15Å; L234-K238 VanDerWaalsContact O-CB 3.27Å; L234-K238 WeakPolarHBondContact O-CB 3.43Å; L234-K238 PolarHBondContact O-N 2.91Å
235	T	47.7	Very low	46.9	Very low	63 Å²	63	90.4 Å²	90.4	39%	0.387	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-39.5	173.8	-59.2	0	0	0	0	111.5	S231 K238 M239	S231-T235 VanDerWaalsContact O-CB 3.22Å; S231-T235 WeakPolarHBondContact O-CB 3.47Å; S231-T235 PolarHBondContact O-N 3.06Å; S231-T235 PolarHBondContact O-OG1 3.21Å; T235-K238 CarbonylContact O-C 3.57Å; T235-K238 WeakPolarHBondContact O-CB 3.35Å; T235-K238 PolarHBondContact O-N 3.18Å; T235-M239 WeakPolarHBondContact O-CG 3.11Å; T235-M239 PolarHBondContact O-N 3.06Å
236	A	48.6	Very low	47.2	Very low	43 Å²	43	87.6 Å²	87.6	36%	0.355	48%	0.475	S	S	.	.	H	α-helix	trans	-63.9	-44.2	174	0	0	0	0	0	111.6	T232 T233 K238 M239 M240	T232-A236 WeakPolarHBondContact O-CB 3.09Å; T232-A236 PolarHBondContact O-N 3.19Å; T233-A236 PolarHBondContact O-N 3.25Å; A236-K238 VanDerWaalsContact C-N 3.32Å; A236-K238 PolarHBondContact O-N 3.09Å; A236-M239 PolarHBondContact O-N 3.44Å; A236-M240 WeakPolarHBondContact O-CG 3.41Å; A236-M240 PolarHBondContact O-N 3.4Å; A236-M240 VanDerWaalsContact O-N 3.07Å
237	A	49.4	Very low	47.6	Very low	39 Å²	39	86.9 Å²	86.9	32%	0.322	47%	0.472	S	S	.	.	H	α-helix	trans	-60.5	-41.3	172.3	0	0	0	0	0	111.8	T233 L234 M239 M240 M241	T233-A237 WeakPolarHBondContact O-CB 3.47Å; T233-A237 PolarHBondContact O-N 2.89Å; L234-A237 PolarHBondContact O-N 3.15Å; A237-M239 VanDerWaalsContact C-N 3.32Å; A237-M239 PolarHBondContact O-N 2.9Å; A237-M240 PolarHBondContact O-N 3.07Å; A237-M241 WeakPolarHBondContact O-CG 3.49Å; A237-M241 PolarHBondContact O-N 2.9Å
238	K	45.8	Very low	47.6	Very low	77 Å²	77	82.5 Å²	82.5	34%	0.335	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-30.2	175.9	-169.6	170.9	-173.6	169.9	0	113.4	D190 L234 T235 A236	D190-K238 IonicContact OD1-NZ 2.7Å; D190-K238 PolarHBondContact OD1-NZ 3.41Å; D190-K238 IonicContact OD2-NZ 3.94Å; L234-K238 VanDerWaalsContact O-CB 3.27Å; L234-K238 WeakPolarHBondContact O-CB 3.43Å; L234-K238 PolarHBondContact O-N 2.91Å; T235-K238 CarbonylContact O-C 3.57Å; T235-K238 WeakPolarHBondContact O-CB 3.35Å; T235-K238 PolarHBondContact O-N 3.18Å; A236-K238 VanDerWaalsContact C-N 3.32Å; A236-K238 PolarHBondContact O-N 3.09Å
239	M	54.8	Low	47.7	Very low	141 Å²	141	86.8 Å²	86.8	70%	0.695	48%	0.475	S	S	*	.	H	α-helix	trans	-79	-28.3	174.3	-77	-174.3	168.5	0	0	113	T235 A236 A237	T235-M239 WeakPolarHBondContact O-CG 3.11Å; T235-M239 PolarHBondContact O-N 3.06Å; A236-M239 PolarHBondContact O-N 3.44Å; A237-M239 VanDerWaalsContact C-N 3.32Å; A237-M239 PolarHBondContact O-N 2.9Å
240	M	52.9	Low	48.2	Very low	164 Å²	164	89.3 Å²	89.3	81%	0.808	48%	0.484	S	S	*	.	H	α-helix	trans	-80.6	-14.8	178	-69	-179.6	-178.7	0	0	113.7	A236 A237	A236-M240 WeakPolarHBondContact O-CG 3.41Å; A236-M240 PolarHBondContact O-N 3.4Å; A236-M240 VanDerWaalsContact O-N 3.07Å; A237-M240 PolarHBondContact O-N 3.07Å
241	M	53	Low	48.7	Very low	105 Å²	105	93.6 Å²	93.6	52%	0.517	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.4	179.7	-68.4	-178.8	178.5	0	0	114.1	A237	A237-M241 WeakPolarHBondContact O-CG 3.49Å; A237-M241 PolarHBondContact O-N 2.9Å
242	K	42.4	Very low	49	Very low	233 Å²	233	97.5 Å²	97.5	100%	1.013	52%	0.516	S	S	*	.			trans	-98.5	0	169.4	-76.7	-177.6	171.3	-175.1	0	110

Retrieved 242 of 242 residues in 532.2 ms (Link to these results)

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