A0A5K4F4J6_SCHMA Loading...

DUF4806 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4J6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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	48	Very low	49.7	Very low	191 Å²	191	121.1 Å²	121.1	94%	0.941	60%	0.595	S	S	*	*				0	-41.7	0	-77.6	179.7	-165.7	0	0	113.1	R3 C4	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.01Å; M1-C4 PolarHBondContact O-N 3.41Å
2	T	54.4	Low	50.4	Low	119 Å²	119	114.3 Å²	114.3	73%	0.73	56%	0.562	S	S	*	*	H	α-helix	trans	-56	-38.9	178.8	32.6	0	0	0	0	114.5	C4 S5 V6	T2-C4 PolarHBondContact O-N 3.41Å; T2-S5 PolarHBondContact O-N 3.36Å; T2-V6 VanDerWaalsContact O-CG2 3.25Å; T2-V6 WeakPolarHBondContact O-CG2 3.08Å; T2-V6 PolarHBondContact O-N 2.8Å; T2-V6 VanDerWaalsContact O-N 3.08Å
3	R	50.2	Low	51.1	Low	219 Å²	219	108.4 Å²	108.4	83%	0.826	55%	0.549	S	S	*	.	H	α-helix	trans	-59.8	-47.7	-177.8	-122	-179.5	-172.5	164.5	1.8	113.8	M1 S5 V6 E7	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.01Å; R3-S5 PolarHBondContact O-N 3.02Å; R3-V6 PolarHBondContact O-N 2.8Å; R3-E7 WeakPolarHBondContact O-CB 3.48Å; R3-E7 PolarHBondContact O-N 3.15Å
4	C	44.5	Very low	52.1	Low	79 Å²	79	108.4 Å²	108.4	53%	0.534	55%	0.546	S	S	.	.	H	α-helix	trans	-67.1	-39.7	-176.2	-165	0	0	0	0	112	M1 T2 E7 Q8	M1-C4 PolarHBondContact O-N 3.41Å; T2-C4 PolarHBondContact O-N 3.41Å; C4-E7 PolarHBondContact O-N 3.29Å; C4-Q8 PolarHBondContact O-N 3.45Å
5	S	42.6	Very low	52.5	Low	65 Å²	65	106.2 Å²	106.2	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-67.9	-36	175.3	-63.1	0	0	0	0	113.4	T2 R3 R9	T2-S5 PolarHBondContact O-N 3.36Å; R3-S5 PolarHBondContact O-N 3.02Å; S5-R9 WeakPolarHBondContact O-CG 3.47Å; S5-R9 PolarHBondContact O-N 2.97Å
6	V	45.6	Very low	53.1	Low	100 Å²	100	104.1 Å²	104.1	61%	0.606	53%	0.526	S	S	*	.	H	α-helix	trans	-65.8	-43.1	174.7	171.5	0	0	0	0	110.4	T2 R3 R9 S10	T2-V6 VanDerWaalsContact O-CG2 3.25Å; T2-V6 WeakPolarHBondContact O-CG2 3.08Å; T2-V6 PolarHBondContact O-N 2.8Å; T2-V6 VanDerWaalsContact O-N 3.08Å; R3-V6 PolarHBondContact O-N 2.8Å; V6-R9 PolarHBondContact O-N 3.25Å; V6-S10 PolarHBondContact O-N 3.06Å
7	E	48.5	Very low	53.9	Low	99 Å²	99	103.2 Å²	103.2	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-66.4	-42.7	-179.3	-157	174.2	160.8	0	0	112.4	R3 C4 R9 S10 R11	R3-E7 WeakPolarHBondContact O-CB 3.48Å; R3-E7 PolarHBondContact O-N 3.15Å; C4-E7 PolarHBondContact O-N 3.29Å; E7-R9 VanDerWaalsContact C-N 3.35Å; E7-R9 PolarHBondContact O-N 3.39Å; E7-S10 WeakPolarHBondContact O-CB 3.34Å; E7-S10 PolarHBondContact O-N 3Å; E7-R11 WeakPolarHBondContact O-CG 3.44Å; E7-R11 PolarHBondContact O-N 2.88Å; E7-R11 IonicContact OE1-CZ 3.98Å; E7-R11 IonicContact OE1-NE 2.78Å; E7-R11 IonicContact OE1-NH2 3.69Å; E7-R11 PolarHBondContact OE1-NH2 2.85Å
8	Q	46.4	Very low	54.6	Low	63 Å²	63	98.5 Å²	98.5	29%	0.294	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-40.1	173.4	-77	-174	-20.6	0	0	112.6	C4 S10 R11 I12	C4-Q8 PolarHBondContact O-N 3.45Å; Q8-S10 VanDerWaalsContact C-N 3.33Å; Q8-R11 PolarHBondContact O-N 3.31Å; Q8-I12 WeakPolarHBondContact O-CG1 3.45Å; Q8-I12 PolarHBondContact O-N 2.91Å
9	R	51.5	Low	55	Low	205 Å²	205	94.8 Å²	94.8	77%	0.774	48%	0.484	S	S	*	.	H	α-helix	trans	-64.3	-37.8	175.1	-75.7	-178.9	-176.9	-178.4	1.6	111.9	S5 V6 E7 G13	S5-R9 WeakPolarHBondContact O-CG 3.47Å; S5-R9 PolarHBondContact O-N 2.97Å; V6-R9 PolarHBondContact O-N 3.25Å; E7-R9 VanDerWaalsContact C-N 3.35Å; E7-R9 PolarHBondContact O-N 3.39Å; R9-G13 PolarHBondContact O-N 3.39Å; R9-G13 VanDerWaalsContact O-N 3.1Å
10	S	59.5	Low	55.5	Low	62 Å²	62	93.2 Å²	93.2	43%	0.434	48%	0.476	S	S	.	.	H	α-helix	trans	-61	-51	173.8	-162.3	0	0	0	0	111	V6 E7 Q8 I12 G13 E14	V6-S10 PolarHBondContact O-N 3.06Å; E7-S10 WeakPolarHBondContact O-CB 3.34Å; E7-S10 PolarHBondContact O-N 3Å; Q8-S10 VanDerWaalsContact C-N 3.33Å; S10-I12 PolarHBondContact O-N 3.29Å; S10-G13 PolarHBondContact O-N 2.93Å; S10-G13 VanDerWaalsContact O-N 3.09Å; S10-E14 WeakPolarHBondContact O-CG 3.28Å; S10-E14 PolarHBondContact O-N 3.43Å; S10-E14 PolarHBondContact OG-OE1 3.36Å
11	R	55.7	Low	56.3	Low	130 Å²	130	92.8 Å²	92.8	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-61.1	-40.4	-178.5	-68.1	178.8	-170.3	-163.1	3.8	112.7	E7 Q8 E14 L15	E7-R11 WeakPolarHBondContact O-CG 3.44Å; E7-R11 PolarHBondContact O-N 2.88Å; E7-R11 IonicContact OE1-CZ 3.98Å; E7-R11 IonicContact OE1-NE 2.78Å; E7-R11 IonicContact OE1-NH2 3.69Å; E7-R11 PolarHBondContact OE1-NH2 2.85Å; Q8-R11 PolarHBondContact O-N 3.31Å; R11-E14 PolarHBondContact O-N 3.27Å; R11-L15 PolarHBondContact O-N 2.99Å
12	I	57.3	Low	57.3	Low	39 Å²	39	86.4 Å²	86.4	20%	0.2	44%	0.441	C	S	.	.	H	α-helix	trans	-64.5	-43.6	175.3	-68.6	165.6	0	0	0	110.7	Q8 S10 E14 L15 I16 T99	Q8-I12 WeakPolarHBondContact O-CG1 3.45Å; Q8-I12 PolarHBondContact O-N 2.91Å; S10-I12 PolarHBondContact O-N 3.29Å; I12-E14 VanDerWaalsContact C-N 3.32Å; I12-E14 PolarHBondContact O-N 2.86Å; I12-L15 PolarHBondContact O-N 3.46Å; I12-I16 HydrophobicContact CG2-CD1 3.82Å; I12-I16 HydrophobicContact CG2-CG1 4.46Å; I12-I16 WeakPolarHBondContact O-CG1 3.27Å; I12-I16 PolarHBondContact O-N 2.88Å; I12-T99 HydrophobicContact CD1-CG2 4.12Å
13	G	60.5	Low	57.8	Low	38 Å²	38	81.6 Å²	81.6	39%	0.392	41%	0.411	S	S	.	.	H	α-helix	trans	-59.9	-42.4	176.1	0	0	0	0	0	112.5	R9 S10 I16 N17	R9-G13 PolarHBondContact O-N 3.39Å; R9-G13 VanDerWaalsContact O-N 3.1Å; S10-G13 PolarHBondContact O-N 2.93Å; S10-G13 VanDerWaalsContact O-N 3.09Å; G13-I16 PolarHBondContact O-N 3.47Å; G13-N17 WeakPolarHBondContact O-CB 3.32Å; G13-N17 PolarHBondContact O-N 3.26Å
14	E	65	Low	58.4	Low	109 Å²	109	73.4 Å²	73.4	51%	0.509	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-42.4	176.8	-73	164.8	-150.1	0	0	112.5	S10 R11 I12 N17 A18	S10-E14 WeakPolarHBondContact O-CG 3.28Å; S10-E14 PolarHBondContact O-N 3.43Å; S10-E14 PolarHBondContact OG-OE1 3.36Å; R11-E14 PolarHBondContact O-N 3.27Å; I12-E14 VanDerWaalsContact C-N 3.32Å; I12-E14 PolarHBondContact O-N 2.86Å; E14-N17 PolarHBondContact O-N 3.44Å; E14-A18 VanDerWaalsContact O-CB 3.29Å; E14-A18 WeakPolarHBondContact O-CB 3.41Å; E14-A18 PolarHBondContact O-N 3.27Å
15	L	58.1	Low	59.5	Low	75 Å²	75	74.1 Å²	74.1	39%	0.393	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-45.9	175	-87.8	160.6	0	0	0	112.1	R11 I12 N17 A18 L19	R11-L15 PolarHBondContact O-N 2.99Å; I12-L15 PolarHBondContact O-N 3.46Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.38Å; L15-A18 PolarHBondContact O-N 3.45Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 PolarHBondContact O-N 2.8Å
16	I	62.1	Low	60.5	Low	73 Å²	73	73.3 Å²	73.3	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-44	176.8	-69.1	169.1	0	0	0	110.3	I12 G13 L19 N20 L95	I12-I16 HydrophobicContact CG2-CD1 3.82Å; I12-I16 HydrophobicContact CG2-CG1 4.46Å; I12-I16 WeakPolarHBondContact O-CG1 3.27Å; I12-I16 PolarHBondContact O-N 2.88Å; G13-I16 PolarHBondContact O-N 3.47Å; I16-L19 PolarHBondContact O-N 3Å; I16-N20 WeakPolarHBondContact O-CB 3.49Å; I16-N20 PolarHBondContact O-N 3.46Å; I16-N20 PolarHBondContact O-ND2 3.24Å; I16-L95 HydrophobicContact CG1-CD2 4.13Å
17	N	66.9	Low	61.2	Low	89 Å²	89	68.8 Å²	68.8	48%	0.476	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-43.2	178.3	-168.8	25.8	0	0	0	111.6	G13 E14 L15 L19 N20 Q21	G13-N17 WeakPolarHBondContact O-CB 3.32Å; G13-N17 PolarHBondContact O-N 3.26Å; E14-N17 PolarHBondContact O-N 3.44Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.38Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.41Å; N17-N20 PolarHBondContact O-N 2.93Å; N17-Q21 WeakPolarHBondContact O-CB 3.4Å; N17-Q21 VanDerWaalsContact O-CG 3.26Å; N17-Q21 WeakPolarHBondContact O-CG 3.5Å; N17-Q21 PolarHBondContact O-N 3.18Å
18	A	66	Low	62	Low	18 Å²	18	66.3 Å²	66.3	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-59	-46	174.7	0	0	0	0	0	111.1	E14 L15 Q21 I22	E14-A18 VanDerWaalsContact O-CB 3.29Å; E14-A18 WeakPolarHBondContact O-CB 3.41Å; E14-A18 PolarHBondContact O-N 3.27Å; L15-A18 PolarHBondContact O-N 3.45Å; A18-Q21 WeakPolarHBondContact O-CB 3.49Å; A18-Q21 PolarHBondContact O-N 2.93Å; A18-I22 VanDerWaalsContact O-CG1 3.27Å; A18-I22 WeakPolarHBondContact O-CG1 3.39Å; A18-I22 PolarHBondContact O-N 3.17Å
19	L	63	Low	62.9	Low	29 Å²	29	69.3 Å²	69.3	15%	0.152	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-47.5	178.2	-176.2	69.4	0	0	0	111.8	L15 I16 N17 Q21 I22 I23 L91 L95	L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 PolarHBondContact O-N 2.8Å; I16-L19 PolarHBondContact O-N 3Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.41Å; L19-Q21 VanDerWaalsContact C-N 3.28Å; L19-Q21 PolarHBondContact O-N 3.19Å; L19-I22 WeakPolarHBondContact O-CB 3.43Å; L19-I22 PolarHBondContact O-N 3.36Å; L19-I22 VanDerWaalsContact O-N 3.13Å; L19-I23 HydrophobicContact CD1-CD1 4.42Å; L19-I23 HydrophobicContact CD2-CD1 4.4Å; L19-I23 HydrophobicContact CG-CD1 3.92Å; L19-I23 VanDerWaalsContact O-CG1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.32Å; L19-I23 PolarHBondContact O-N 2.98Å; L19-L91 HydrophobicContact CD1-CD2 3.28Å; L19-L91 HydrophobicContact CD1-CG 3.95Å; L19-L91 HydrophobicContact CD2-CD2 4.43Å; L19-L91 HydrophobicContact CD2-CG 4.32Å; L19-L91 HydrophobicContact CG-CD2 4.43Å; L19-L95 HydrophobicContact CD2-CD1 3.85Å
20	N	65	Low	63.5	Low	61 Å²	61	66.5 Å²	66.5	33%	0.326	34%	0.336	S	S	.	.	H	α-helix	trans	-57.9	-41.8	176.7	-74.7	-23.4	0	0	0	111.7	I16 N17 I23 V24	I16-N20 WeakPolarHBondContact O-CB 3.49Å; I16-N20 PolarHBondContact O-N 3.46Å; I16-N20 PolarHBondContact O-ND2 3.24Å; N17-N20 PolarHBondContact O-N 2.93Å; N20-I23 PolarHBondContact O-N 2.89Å; N20-V24 WeakPolarHBondContact O-CB 3.27Å; N20-V24 VanDerWaalsContact O-CG2 3.28Å; N20-V24 WeakPolarHBondContact O-CG2 3.41Å; N20-V24 PolarHBondContact O-N 3.29Å
21	Q	70.7	Confident	63.6	Low	86 Å²	86	64.8 Å²	64.8	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-39.7	176.5	-73	-69.4	-23.6	0	0	112.6	N17 A18 L19 R25	N17-Q21 WeakPolarHBondContact O-CB 3.4Å; N17-Q21 VanDerWaalsContact O-CG 3.26Å; N17-Q21 WeakPolarHBondContact O-CG 3.5Å; N17-Q21 PolarHBondContact O-N 3.18Å; A18-Q21 WeakPolarHBondContact O-CB 3.49Å; A18-Q21 PolarHBondContact O-N 2.93Å; L19-Q21 VanDerWaalsContact C-N 3.28Å; L19-Q21 PolarHBondContact O-N 3.19Å; Q21-R25 WeakPolarHBondContact O-CB 3.32Å; Q21-R25 VanDerWaalsContact O-CG 3.31Å; Q21-R25 WeakPolarHBondContact O-CG 3.35Å; Q21-R25 PolarHBondContact O-N 3.13Å
22	I	70.4	Confident	64	Low	56 Å²	56	64.6 Å²	64.6	29%	0.287	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-46.4	175.3	-66.7	174.4	0	0	0	110.2	A18 L19 R25 A26 F144 F148	A18-I22 VanDerWaalsContact O-CG1 3.27Å; A18-I22 WeakPolarHBondContact O-CG1 3.39Å; A18-I22 PolarHBondContact O-N 3.17Å; L19-I22 WeakPolarHBondContact O-CB 3.43Å; L19-I22 PolarHBondContact O-N 3.36Å; L19-I22 VanDerWaalsContact O-N 3.13Å; I22-R25 PolarHBondContact O-N 3.37Å; I22-A26 WeakPolarHBondContact O-CB 3.41Å; I22-A26 PolarHBondContact O-N 2.91Å; I22-F144 HydrophobicContact CD1-CZ 3.79Å; I22-F144 HydrophobicContact CG1-CE2 3.9Å; I22-F144 HydrophobicContact CG1-CZ 3.61Å; I22-F144 HydrophobicContact CG2-CZ 4.5Å; I22-F148 HydrophobicContact CD1-CD2 4.49Å
23	I	63.3	Low	64	Low	19 Å²	19	68 Å²	68	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-52.3	178.8	-65.7	165.3	0	0	0	110.1	L19 N20 R25 A26 V27 I60 V88	L19-I23 HydrophobicContact CD1-CD1 4.42Å; L19-I23 HydrophobicContact CD2-CD1 4.4Å; L19-I23 HydrophobicContact CG-CD1 3.92Å; L19-I23 VanDerWaalsContact O-CG1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.32Å; L19-I23 PolarHBondContact O-N 2.98Å; N20-I23 PolarHBondContact O-N 2.89Å; I23-R25 VanDerWaalsContact C-N 3.3Å; I23-R25 PolarHBondContact O-N 3.07Å; I23-A26 PolarHBondContact O-N 3.49Å; I23-A26 VanDerWaalsContact O-N 3.14Å; I23-V27 HydrophobicContact CG2-CG2 4.31Å; I23-V27 VanDerWaalsContact O-CG2 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.49Å; I23-V27 PolarHBondContact O-N 2.89Å; I23-I60 HydrophobicContact CG2-CD1 4.23Å; I23-I60 HydrophobicContact CG2-CG2 4.38Å; I23-V88 HydrophobicContact CD1-CB 4.37Å; I23-V88 HydrophobicContact CD1-CG1 3.65Å; I23-V88 HydrophobicContact CD1-CG2 3.88Å; I23-V88 HydrophobicContact CG1-CG2 3.86Å; I23-V88 HydrophobicContact CG2-CG2 3.98Å
24	V	63.2	Low	63.7	Low	46 Å²	46	73.1 Å²	73.1	28%	0.279	36%	0.357	S	S	.	.	H	α-helix	trans	-55.6	-46.1	179.3	169.4	0	0	0	0	110.8	N20 V27 K28 T37	N20-V24 WeakPolarHBondContact O-CB 3.27Å; N20-V24 VanDerWaalsContact O-CG2 3.28Å; N20-V24 WeakPolarHBondContact O-CG2 3.41Å; N20-V24 PolarHBondContact O-N 3.29Å; V24-V27 PolarHBondContact O-N 3.02Å; V24-K28 VanDerWaalsContact O-CB 3.26Å; V24-K28 WeakPolarHBondContact O-CB 3.44Å; V24-K28 PolarHBondContact O-N 3.48Å; V24-T37 HydrophobicContact CG1-CG2 4.06Å
25	R	68.2	Low	63	Low	95 Å²	95	68.9 Å²	68.9	36%	0.358	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-42.1	177.7	-74.4	178.4	-172.8	175.4	2.4	112.8	Q21 I22 I23 V27 K28 R29	Q21-R25 WeakPolarHBondContact O-CB 3.32Å; Q21-R25 VanDerWaalsContact O-CG 3.31Å; Q21-R25 WeakPolarHBondContact O-CG 3.35Å; Q21-R25 PolarHBondContact O-N 3.13Å; I22-R25 PolarHBondContact O-N 3.37Å; I23-R25 VanDerWaalsContact C-N 3.3Å; I23-R25 PolarHBondContact O-N 3.07Å; R25-V27 VanDerWaalsContact C-N 3.34Å; R25-K28 PolarHBondContact O-N 3.5Å; R25-R29 WeakPolarHBondContact O-CB 3.46Å; R25-R29 WeakPolarHBondContact O-CG 3.36Å; R25-R29 PolarHBondContact O-N 3.5Å
26	A	63.6	Low	62.8	Low	48 Å²	48	68 Å²	68	40%	0.397	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-43.4	178.8	0	0	0	0	0	111.2	I22 I23 K30	I22-A26 WeakPolarHBondContact O-CB 3.41Å; I22-A26 PolarHBondContact O-N 2.91Å; I23-A26 PolarHBondContact O-N 3.49Å; I23-A26 VanDerWaalsContact O-N 3.14Å; A26-K30 PolarHBondContact O-N 3.48Å
27	V	59.6	Low	62.5	Low	5 Å²	5	66.9 Å²	66.9	3%	0.03	33%	0.334	C	S	.	.	H	α-helix	trans	-68.4	-42.6	176.5	-169.9	0	0	0	0	110.8	I23 V24 R25 R29 K30 M31 L35 I60 I84	I23-V27 HydrophobicContact CG2-CG2 4.31Å; I23-V27 VanDerWaalsContact O-CG2 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.49Å; I23-V27 PolarHBondContact O-N 2.89Å; V24-V27 PolarHBondContact O-N 3.02Å; R25-V27 VanDerWaalsContact C-N 3.34Å; V27-R29 PolarHBondContact O-N 3.39Å; V27-K30 PolarHBondContact O-N 3.3Å; V27-K30 VanDerWaalsContact O-N 3.15Å; V27-M31 HydrophobicContact CG1-CE 3.67Å; V27-M31 HydrophobicContact CG1-CG 4.1Å; V27-M31 HydrophobicContact CG1-SD 3.93Å; V27-M31 WeakPolarHBondContact O-CB 3.19Å; V27-M31 WeakPolarHBondContact O-CG 3.19Å; V27-M31 PolarHBondContact O-N 3.02Å; V27-L35 HydrophobicContact CB-CD1 3.85Å; V27-L35 HydrophobicContact CG1-CD1 3.21Å; V27-I60 HydrophobicContact CG2-CD1 4.08Å; V27-I84 HydrophobicContact CG2-CG2 4.24Å
28	K	66.1	Low	61.9	Low	46 Å²	46	67.4 Å²	67.4	20%	0.2	35%	0.345	C	S	.	.	H	α-helix	trans	-59.4	-45.3	177.9	-168.6	169.8	-177.1	160.1	0	112.3	V24 R25 K30 M31 N32 D33 E40	V24-K28 VanDerWaalsContact O-CB 3.26Å; V24-K28 WeakPolarHBondContact O-CB 3.44Å; V24-K28 PolarHBondContact O-N 3.48Å; R25-K28 PolarHBondContact O-N 3.5Å; K28-K30 VanDerWaalsContact C-N 3.31Å; K28-K30 PolarHBondContact O-N 2.94Å; K28-M31 CarbonylContact O-C 3.54Å; K28-M31 PolarHBondContact O-N 2.86Å; K28-N32 PolarHBondContact O-N 3.34Å; K28-D33 WeakPolarHBondContact CE-OD1 3.39Å; K28-D33 HydrophobicContact CG-CB 4.49Å; K28-D33 WeakPolarHBondContact CG-OD1 3.38Å; K28-D33 PolarHBondContact O-N 3.19Å; K28-E40 VanDerWaalsContact NZ-CD 3.35Å; K28-E40 IonicContact NZ-OE1 2.85Å; K28-E40 PolarHBondContact NZ-OE1 3.44Å; K28-E40 IonicContact NZ-OE2 3.03Å; K28-E40 PolarHBondContact NZ-OE2 3.38Å
29	R	64.6	Low	61.4	Low	127 Å²	127	73.6 Å²	73.6	48%	0.479	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-38.3	174.7	-76.7	-179.9	-177.9	167.7	-1.4	112.9	R25 V27 A138	R25-R29 WeakPolarHBondContact O-CB 3.46Å; R25-R29 WeakPolarHBondContact O-CG 3.36Å; R25-R29 PolarHBondContact O-N 3.5Å; V27-R29 PolarHBondContact O-N 3.39Å; R29-A138 PolarHBondContact NH1-O 2.95Å
30	K	64.5	Low	61.1	Low	146 Å²	146	75.6 Å²	75.6	64%	0.635	38%	0.379	S	S	*	.	H	α-helix	trans	-79.5	-29.8	-178	-157.7	65.3	176.1	177	0	112.4	A26 V27 K28 N32	A26-K30 PolarHBondContact O-N 3.48Å; V27-K30 PolarHBondContact O-N 3.3Å; V27-K30 VanDerWaalsContact O-N 3.15Å; K28-K30 VanDerWaalsContact C-N 3.31Å; K28-K30 PolarHBondContact O-N 2.94Å; K30-N32 VanDerWaalsContact C-N 3.34Å
31	M	61.4	Low	60.8	Low	26 Å²	26	74 Å²	74	13%	0.128	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	27.5	177.3	-63.7	-165.1	-179.7	0	0	113.2	V27 K28 D33 Y34 L35 F73 L81	V27-M31 HydrophobicContact CG1-CE 3.67Å; V27-M31 HydrophobicContact CG1-CG 4.1Å; V27-M31 HydrophobicContact CG1-SD 3.93Å; V27-M31 WeakPolarHBondContact O-CB 3.19Å; V27-M31 WeakPolarHBondContact O-CG 3.19Å; V27-M31 PolarHBondContact O-N 3.02Å; K28-M31 CarbonylContact O-C 3.54Å; K28-M31 PolarHBondContact O-N 2.86Å; M31-D33 VanDerWaalsContact C-N 3.26Å; M31-D33 PolarHBondContact O-N 3.44Å; M31-D33 VanDerWaalsContact O-N 3.11Å; M31-Y34 WeakPolarHBondContact O-CB 3.5Å; M31-Y34 WeakPolarHBondContact O-CD2 3.34Å; M31-Y34 PolarHBondContact O-N 2.95Å; M31-L35 HydrophobicContact CB-CG 4.46Å; M31-L35 HydrophobicContact CG-CD1 4.49Å; M31-L35 HydrophobicContact SD-CD1 3.63Å; M31-L35 HydrophobicContact SD-CD2 3.92Å; M31-L35 HydrophobicContact SD-CG 3.69Å; M31-F73 HydrophobicContact CE-CD1 4.37Å; M31-F73 HydrophobicContact CE-CE1 3.28Å; M31-F73 HydrophobicContact CE-CZ 3.41Å; M31-F73 VanDerWaalsContact CE-CZ 3.41Å; M31-F73 HydrophobicContact CG-CE1 4.47Å; M31-F73 HydrophobicContact SD-CE1 3.62Å; M31-F73 HydrophobicContact SD-CZ 3.78Å; M31-L81 HydrophobicContact CE-CD1 3.61Å; M31-L81 HydrophobicContact CE-CD2 3.12Å; M31-L81 HydrophobicContact CE-CG 3.8Å
32	N	64.2	Low	60.1	Low	125 Å²	125	76.9 Å²	76.9	67%	0.668	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	48.3	176.8	-66	-28.1	0	0	0	113.6	K28 K30 Y34	K28-N32 PolarHBondContact O-N 3.34Å; K30-N32 VanDerWaalsContact C-N 3.34Å; N32-Y34 HydrophobicContact CB-CD2 4.21Å; N32-Y34 HydrophobicContact CB-CE2 4.08Å; N32-Y34 PolarHBondContact O-N 3.29Å; N32-Y34 VanDerWaalsContact O-N 3.08Å
33	D	56.7	Low	59.5	Low	111 Å²	111	78.3 Å²	78.3	59%	0.594	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	8.6	179.1	-64.6	-45.4	0	0	0	116.8	K28 M31 L35	K28-D33 WeakPolarHBondContact CE-OD1 3.39Å; K28-D33 HydrophobicContact CG-CB 4.49Å; K28-D33 WeakPolarHBondContact CG-OD1 3.38Å; K28-D33 PolarHBondContact O-N 3.19Å; M31-D33 VanDerWaalsContact C-N 3.26Å; M31-D33 PolarHBondContact O-N 3.44Å; M31-D33 VanDerWaalsContact O-N 3.11Å; D33-L35 PolarHBondContact O-N 3.37Å; D33-L35 VanDerWaalsContact O-N 3.07Å
34	Y	54.9	Low	59.3	Low	146 Å²	146	79.4 Å²	79.4	57%	0.573	40%	0.403	S	S	*	.			trans	-67.9	-8.1	179.7	-73	-63.7	0	0	0	115.2	M31 N32	M31-Y34 WeakPolarHBondContact O-CB 3.5Å; M31-Y34 WeakPolarHBondContact O-CD2 3.34Å; M31-Y34 PolarHBondContact O-N 2.95Å; N32-Y34 HydrophobicContact CB-CD2 4.21Å; N32-Y34 HydrophobicContact CB-CE2 4.08Å; N32-Y34 PolarHBondContact O-N 3.29Å; N32-Y34 VanDerWaalsContact O-N 3.08Å
35	L	51.2	Low	59	Low	19 Å²	19	83.7 Å²	83.7	10%	0.099	42%	0.418	C	S	.	.			trans	-93.4	107.8	177.4	-68.5	-177.9	0	0	0	110.9	V27 M31 D33 V58	V27-L35 HydrophobicContact CB-CD1 3.85Å; V27-L35 HydrophobicContact CG1-CD1 3.21Å; M31-L35 HydrophobicContact CB-CG 4.46Å; M31-L35 HydrophobicContact CG-CD1 4.49Å; M31-L35 HydrophobicContact SD-CD1 3.63Å; M31-L35 HydrophobicContact SD-CD2 3.92Å; M31-L35 HydrophobicContact SD-CG 3.69Å; D33-L35 PolarHBondContact O-N 3.37Å; D33-L35 VanDerWaalsContact O-N 3.07Å; L35-V58 HydrophobicContact CD2-CB 3.71Å; L35-V58 HydrophobicContact CD2-CG2 3.44Å; L35-V58 VanDerWaalsContact CD2-CG2 3.44Å
36	C	52.2	Low	58.6	Low	58 Å²	58	87 Å²	87	39%	0.392	44%	0.439	S	S	.	.			trans	-76.4	133.9	160.1	-79.2	0	0	0	0	109.7	E40 L41	C36-E40 VanDerWaalsContact CA-OE2 3.27Å; C36-E40 WeakPolarHBondContact CA-OE2 3.34Å; C36-E40 HydrophobicContact CB-CB 3.85Å; C36-L41 HydrophobicContact CB-CB 4.32Å
37	T	56.3	Low	58.3	Low	48 Å²	48	92.3 Å²	92.3	29%	0.294	46%	0.456	S	S	.	.			trans	-62.2	162	159.2	65.2	0	0	0	0	109.4	V24 E39 E40 L41	V24-T37 HydrophobicContact CG1-CG2 4.06Å; T37-E39 PolarHBondContact O-N 3.22Å; T37-E40 PolarHBondContact N-OE2 2.78Å; T37-E40 PolarHBondContact O-N 3.47Å; T37-E40 WeakPolarHBondContact OG1-CG 3.49Å; T37-E40 PolarHBondContact OG1-N 3.2Å; T37-L41 WeakPolarHBondContact O-CB 3.4Å; T37-L41 PolarHBondContact O-N 3.4Å
38	S	54.4	Low	58.3	Low	100 Å²	100	93.7 Å²	93.7	70%	0.699	47%	0.468	S	S	*	.	H	α-helix	trans	-56.6	-32.7	176.2	50.8	0	0	0	0	112.3	L41 E42	S38-L41 WeakPolarHBondContact O-CB 3.31Å; S38-L41 PolarHBondContact O-N 2.63Å; S38-E42 PolarHBondContact O-N 2.98Å
39	E	55.2	Low	57.8	Low	148 Å²	148	95.3 Å²	95.3	69%	0.692	49%	0.49	S	S	*	.	H	α-helix	trans	-70.2	-46.5	177.3	-141	169.2	-164.1	0	0	111.5	T37 L41 E42 V43	T37-E39 PolarHBondContact O-N 3.22Å; E39-L41 PolarHBondContact O-N 3.39Å; E39-E42 PolarHBondContact O-N 3.35Å; E39-V43 WeakPolarHBondContact O-CG2 3.25Å; E39-V43 PolarHBondContact O-N 2.74Å; E39-V43 VanDerWaalsContact O-N 3.09Å
40	E	57.5	Low	57.4	Low	72 Å²	72	95.2 Å²	95.2	34%	0.336	51%	0.507	S	S	.	.	H	α-helix	trans	-60.5	-36.2	173	-71.8	172.5	158.5	0	0	111.2	K28 C36 T37 V43 T44	K28-E40 VanDerWaalsContact NZ-CD 3.35Å; K28-E40 IonicContact NZ-OE1 2.85Å; K28-E40 PolarHBondContact NZ-OE1 3.44Å; K28-E40 IonicContact NZ-OE2 3.03Å; K28-E40 PolarHBondContact NZ-OE2 3.38Å; C36-E40 VanDerWaalsContact CA-OE2 3.27Å; C36-E40 WeakPolarHBondContact CA-OE2 3.34Å; C36-E40 HydrophobicContact CB-CB 3.85Å; T37-E40 PolarHBondContact N-OE2 2.78Å; T37-E40 PolarHBondContact O-N 3.47Å; T37-E40 WeakPolarHBondContact OG1-CG 3.49Å; T37-E40 PolarHBondContact OG1-N 3.2Å; E40-V43 PolarHBondContact O-N 3.25Å; E40-T44 WeakPolarHBondContact O-CB 3.49Å; E40-T44 PolarHBondContact O-N 3.27Å; E40-T44 PolarHBondContact O-OG1 3.22Å
41	L	57.6	Low	57.2	Low	28 Å²	28	93.1 Å²	93.1	15%	0.147	51%	0.506	C	S	.	.	H	α-helix	trans	-67.8	-39.3	176.5	-174.6	69.1	0	0	0	112.4	C36 T37 S38 E39 T44 K45 F55 V57	C36-L41 HydrophobicContact CB-CB 4.32Å; T37-L41 WeakPolarHBondContact O-CB 3.4Å; T37-L41 PolarHBondContact O-N 3.4Å; S38-L41 WeakPolarHBondContact O-CB 3.31Å; S38-L41 PolarHBondContact O-N 2.63Å; E39-L41 PolarHBondContact O-N 3.39Å; L41-T44 PolarHBondContact O-N 3.49Å; L41-K45 WeakPolarHBondContact O-CB 3.25Å; L41-K45 WeakPolarHBondContact O-CG 3.44Å; L41-K45 PolarHBondContact O-N 3Å; L41-F55 HydrophobicContact CD1-CB 3.77Å; L41-F55 HydrophobicContact CD1-CD1 4.35Å; L41-F55 HydrophobicContact CD1-CD2 3.54Å; L41-F55 HydrophobicContact CD1-CE2 4.21Å; L41-F55 HydrophobicContact CD1-CG 3.63Å; L41-V57 HydrophobicContact CD2-CG2 4.18Å
42	E	58	Low	57	Low	146 Å²	146	97.9 Å²	97.9	68%	0.682	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-44.9	174.1	-80.7	-175	172.6	0	0	111.2	S38 E39 T44 K45 M46	S38-E42 PolarHBondContact O-N 2.98Å; E39-E42 PolarHBondContact O-N 3.35Å; E42-T44 PolarHBondContact O-N 3.15Å; E42-K45 PolarHBondContact O-N 3.32Å; E42-M46 WeakPolarHBondContact O-CB 3.31Å; E42-M46 PolarHBondContact O-N 3.02Å
43	V	57.1	Low	56.8	Low	85 Å²	85	95.3 Å²	95.3	52%	0.515	53%	0.528	S	S	.	.	H	α-helix	trans	-59.5	-46.7	175.3	176.1	0	0	0	0	110.9	E39 E40 K45 M46 E47	E39-V43 WeakPolarHBondContact O-CG2 3.25Å; E39-V43 PolarHBondContact O-N 2.74Å; E39-V43 VanDerWaalsContact O-N 3.09Å; E40-V43 PolarHBondContact O-N 3.25Å; V43-K45 PolarHBondContact O-N 2.96Å; V43-M46 WeakPolarHBondContact O-CB 3.43Å; V43-M46 PolarHBondContact O-N 3.16Å; V43-E47 PolarHBondContact O-N 3.38Å
44	T	57.9	Low	56.9	Low	42 Å²	42	96.7 Å²	96.7	26%	0.258	54%	0.535	S	S	.	.	H	α-helix	trans	-67.4	-37	-178.7	-47.8	0	0	0	0	111.7	E40 L41 E42 M46 E47 A48 F55	E40-T44 WeakPolarHBondContact O-CB 3.49Å; E40-T44 PolarHBondContact O-N 3.27Å; E40-T44 PolarHBondContact O-OG1 3.22Å; L41-T44 PolarHBondContact O-N 3.49Å; E42-T44 PolarHBondContact O-N 3.15Å; T44-M46 VanDerWaalsContact C-N 3.34Å; T44-E47 PolarHBondContact O-N 3.43Å; T44-A48 VanDerWaalsContact O-CB 3.26Å; T44-A48 WeakPolarHBondContact O-CB 3.32Å; T44-A48 PolarHBondContact O-N 3.03Å; T44-F55 HydrophobicContact CG2-CE1 3.94Å; T44-F55 HydrophobicContact CG2-CE2 4.33Å; T44-F55 HydrophobicContact CG2-CZ 3.47Å; T44-F55 VanDerWaalsContact CG2-CZ 3.47Å
45	K	57.9	Low	57.2	Low	136 Å²	136	92.3 Å²	92.3	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-65.3	-37.8	173	-82.7	-177.9	175.9	-176	0	112.2	L41 E42 V43 E47	L41-K45 WeakPolarHBondContact O-CB 3.25Å; L41-K45 WeakPolarHBondContact O-CG 3.44Å; L41-K45 PolarHBondContact O-N 3Å; E42-K45 PolarHBondContact O-N 3.32Å; V43-K45 PolarHBondContact O-N 2.96Å; K45-E47 VanDerWaalsContact C-N 3.33Å
46	M	58.9	Low	57.3	Low	165 Å²	165	92.6 Å²	92.6	81%	0.813	52%	0.522	S	S	*	.	H	α-helix	trans	-65.2	-38.9	177.1	-154.7	82.7	174.8	0	0	111.1	E42 V43 T44	E42-M46 WeakPolarHBondContact O-CB 3.31Å; E42-M46 PolarHBondContact O-N 3.02Å; V43-M46 WeakPolarHBondContact O-CB 3.43Å; V43-M46 PolarHBondContact O-N 3.16Å; T44-M46 VanDerWaalsContact C-N 3.34Å
47	E	58.7	Low	57.6	Low	159 Å²	159	92.3 Å²	92.3	74%	0.743	52%	0.519	S	S	*	.	H	α-helix	trans	-74.6	-35.9	177.3	-74.1	-174.4	159.8	0	0	113.2	V43 T44 K45 A49	V43-E47 PolarHBondContact O-N 3.38Å; T44-E47 PolarHBondContact O-N 3.43Å; K45-E47 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 2.78Å
48	A	58	Low	57.5	Low	34 Å²	34	91.3 Å²	91.3	28%	0.281	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	28.3	-177	0	0	0	0	0	114	T44 C50 V51	T44-A48 VanDerWaalsContact O-CB 3.26Å; T44-A48 WeakPolarHBondContact O-CB 3.32Å; T44-A48 PolarHBondContact O-N 3.03Å; A48-C50 PolarHBondContact O-N 3.38Å; A48-V51 PolarHBondContact O-N 3.18Å
49	A	56.2	Low	57.8	Low	80 Å²	80	92.2 Å²	92.2	66%	0.661	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-3	-162.4	0	0	0	0	0	118.4	E47	E47-A49 PolarHBondContact O-N 2.78Å
50	C	57.3	Low	57.7	Low	126 Å²	126	87.1 Å²	87.1	85%	0.851	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	8.4	176.7	-67.9	0	0	0	0	115.9	A48	A48-C50 PolarHBondContact O-N 3.38Å
51	V	59.6	Low	57.3	Low	101 Å²	101	90.7 Å²	90.7	61%	0.612	50%	0.501	S	S	*	.	S	Bend	trans	-133.1	122.2	176.9	-174.6	0	0	0	0	110.3	A48 V53	A48-V51 PolarHBondContact O-N 3.18Å; V51-V53 HydrophobicContact CG1-CG2 4.39Å; V51-V53 PolarHBondContact O-N 3.43Å
52	P	56.6	Low	57.3	Low	126 Å²	126	95 Å²	95	82%	0.818	52%	0.524	S	S	*	.			trans	-65.1	101.4	171.7	24.8	-29.6	0	0	0	109.1
53	V	59.7	Low	57.5	Low	71 Å²	71	94 Å²	94	43%	0.43	52%	0.517	S	S	.	.			trans	-95	114.7	172.5	-178	0	0	0	0	108	V51 F55	V51-V53 HydrophobicContact CG1-CG2 4.39Å; V51-V53 PolarHBondContact O-N 3.43Å; V53-F55 HydrophobicContact CB-CD2 4.3Å; V53-F55 HydrophobicContact CB-CE2 3.58Å; V53-F55 HydrophobicContact CB-CZ 3.75Å; V53-F55 HydrophobicContact CG1-CD1 4.3Å; V53-F55 HydrophobicContact CG1-CD2 4.11Å; V53-F55 HydrophobicContact CG1-CE1 3.78Å; V53-F55 HydrophobicContact CG1-CE2 3.58Å; V53-F55 HydrophobicContact CG1-CG 4.45Å; V53-F55 HydrophobicContact CG1-CZ 3.38Å; V53-F55 WeakPolarHBondContact O-CD2 3.43Å; V53-F55 WeakPolarHBondContact O-CE2 3.42Å; V53-F55 PolarHBondContact O-N 2.97Å
54	D	59.9	Low	57.5	Low	140 Å²	140	92.4 Å²	92.4	75%	0.749	51%	0.509	S	S	*	.			trans	-74.6	115.9	171.2	-81.9	-33.4	0	0	0	109.8	L68	D54-L68 HydrophobicContact CB-CD2 4.17Å; D54-L68 VanDerWaalsContact O-CD2 3.28Å; D54-L68 WeakPolarHBondContact O-CD2 3.29Å
55	F	60.5	Low	57.6	Low	55 Å²	55	93.5 Å²	93.5	24%	0.241	51%	0.511	C	S	.	.			trans	-99.5	140.4	177.1	-67.1	-83.1	0	0	0	111.5	L41 T44 V53 V57	L41-F55 HydrophobicContact CD1-CB 3.77Å; L41-F55 HydrophobicContact CD1-CD1 4.35Å; L41-F55 HydrophobicContact CD1-CD2 3.54Å; L41-F55 HydrophobicContact CD1-CE2 4.21Å; L41-F55 HydrophobicContact CD1-CG 3.63Å; T44-F55 HydrophobicContact CG2-CE1 3.94Å; T44-F55 HydrophobicContact CG2-CE2 4.33Å; T44-F55 HydrophobicContact CG2-CZ 3.47Å; T44-F55 VanDerWaalsContact CG2-CZ 3.47Å; V53-F55 HydrophobicContact CB-CD2 4.3Å; V53-F55 HydrophobicContact CB-CE2 3.58Å; V53-F55 HydrophobicContact CB-CZ 3.75Å; V53-F55 HydrophobicContact CG1-CD1 4.3Å; V53-F55 HydrophobicContact CG1-CD2 4.11Å; V53-F55 HydrophobicContact CG1-CE1 3.78Å; V53-F55 HydrophobicContact CG1-CE2 3.58Å; V53-F55 HydrophobicContact CG1-CG 4.45Å; V53-F55 HydrophobicContact CG1-CZ 3.38Å; V53-F55 WeakPolarHBondContact O-CD2 3.43Å; V53-F55 WeakPolarHBondContact O-CE2 3.42Å; V53-F55 PolarHBondContact O-N 2.97Å; F55-V57 PolarHBondContact O-N 3.29Å
56	P	53.3	Low	58	Low	25 Å²	25	88.9 Å²	88.9	16%	0.162	50%	0.496	C	S	.	.			trans	-70.7	102.6	170.3	29	-31.2	0	0	0	109.3	A69	P56-A69 HydrophobicContact CB-CB 3.83Å
57	V	59.3	Low	58.4	Low	52 Å²	52	86.1 Å²	86.1	32%	0.315	49%	0.49	S	S	.	.			trans	-90.1	128.9	174.5	-176.5	0	0	0	0	109.3	L41 F55 K59 S66	L41-V57 HydrophobicContact CD2-CG2 4.18Å; F55-V57 PolarHBondContact O-N 3.29Å; V57-K59 HydrophobicContact CG1-CG 4.3Å; V57-S66 PolarHBondContact O-N 3.06Å; V57-S66 VanDerWaalsContact O-N 3.15Å; V57-S66 PolarHBondContact O-OG 3.44Å
58	V	54	Low	58.7	Low	27 Å²	27	81.2 Å²	81.2	16%	0.164	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	109.6	175	179.2	0	0	0	0	109.1	L35 I60 F65 A69 F73	L35-V58 HydrophobicContact CD2-CB 3.71Å; L35-V58 HydrophobicContact CD2-CG2 3.44Å; L35-V58 VanDerWaalsContact CD2-CG2 3.44Å; V58-I60 HydrophobicContact CG1-CG1 3.91Å; V58-I60 PolarHBondContact O-N 3.18Å; V58-F65 HydrophobicContact CB-CD1 4.27Å; V58-F65 HydrophobicContact CB-CE1 4.4Å; V58-F65 HydrophobicContact CG1-CD1 3.72Å; V58-F65 HydrophobicContact CG1-CE1 3.43Å; V58-F65 VanDerWaalsContact CG1-CE1 3.43Å; V58-F65 HydrophobicContact CG1-CZ 4.42Å; V58-F65 HydrophobicContact CG2-CD1 3.87Å; V58-F65 HydrophobicContact CG2-CE1 4.21Å; V58-A69 HydrophobicContact CG2-CB 4.3Å; V58-F73 HydrophobicContact CG2-CE2 4.48Å; V58-F73 HydrophobicContact CG2-CZ 4.19Å
59	K	60.9	Low	58.9	Low	119 Å²	119	79.6 Å²	79.6	52%	0.517	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	84.8	173.5	-67.5	-173.6	179.6	-177.8	0	109.1	V57 L61 I62 K63 S64	V57-K59 HydrophobicContact CG1-CG 4.3Å; K59-L61 VanDerWaalsContact C-N 3.29Å; K59-L61 PolarHBondContact O-N 3.3Å; K59-I62 HydrophobicContact CB-CB 4.27Å; K59-I62 HydrophobicContact CD-CD1 4.3Å; K59-I62 PolarHBondContact O-N 3.08Å; K59-I62 VanDerWaalsContact O-N 3.11Å; K59-K63 PolarHBondContact O-N 2.9Å; K59-S64 PolarHBondContact N-O 3.11Å; K59-S64 PolarHBondContact O-N 3.39Å
60	I	54	Low	59.3	Low	41 Å²	41	80.4 Å²	80.4	21%	0.21	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-52.6	-45.8	-174.1	-58.8	173.9	0	0	0	111.7	I23 V27 V58 I62 K63	I23-I60 HydrophobicContact CG2-CD1 4.23Å; I23-I60 HydrophobicContact CG2-CG2 4.38Å; V27-I60 HydrophobicContact CG2-CD1 4.08Å; V58-I60 HydrophobicContact CG1-CG1 3.91Å; V58-I60 PolarHBondContact O-N 3.18Å; I60-I62 PolarHBondContact O-N 3.01Å; I60-K63 PolarHBondContact O-N 2.99Å
61	L	47.3	Very low	59.8	Low	146 Å²	146	83.1 Å²	83.1	76%	0.764	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-68.3	-32.9	-177.3	-70.7	172.3	0	0	0	113.6	K59	K59-L61 VanDerWaalsContact C-N 3.29Å; K59-L61 PolarHBondContact O-N 3.3Å
62	I	58.9	Low	60.1	Low	120 Å²	120	85 Å²	85	62%	0.615	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-92.6	-3.8	-176.9	-59.6	173.1	0	0	0	110.9	K59 I60 S64	K59-I62 HydrophobicContact CB-CB 4.27Å; K59-I62 HydrophobicContact CD-CD1 4.3Å; K59-I62 PolarHBondContact O-N 3.08Å; K59-I62 VanDerWaalsContact O-N 3.11Å; I60-I62 PolarHBondContact O-N 3.01Å; I62-S64 PolarHBondContact O-N 2.76Å; I62-S64 VanDerWaalsContact O-N 3.15Å
63	K	60.7	Low	60.4	Low	124 Å²	124	81.1 Å²	81.1	54%	0.539	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	27.8	-175.5	-52.4	-177	173.7	178.7	0	112.7	K59 I60 L85	K59-K63 PolarHBondContact O-N 2.9Å; I60-K63 PolarHBondContact O-N 2.99Å; K63-L85 HydrophobicContact CD-CD2 3.83Å; K63-L85 HydrophobicContact CG-CD1 4.2Å; K63-L85 HydrophobicContact CG-CD2 3.87Å
64	S	57.7	Low	60.5	Low	51 Å²	51	84.8 Å²	84.8	36%	0.357	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.6	178.3	60.1	0	0	0	0	110.7	K59 I62	K59-S64 PolarHBondContact N-O 3.11Å; K59-S64 PolarHBondContact O-N 3.39Å; I62-S64 PolarHBondContact O-N 2.76Å; I62-S64 VanDerWaalsContact O-N 3.15Å
65	F	61.2	Low	60.8	Low	65 Å²	65	84.8 Å²	84.8	29%	0.285	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136	179.4	-61.5	-85.6	0	0	0	108.2	V58 A69 N70 F73 L81	V58-F65 HydrophobicContact CB-CD1 4.27Å; V58-F65 HydrophobicContact CB-CE1 4.4Å; V58-F65 HydrophobicContact CG1-CD1 3.72Å; V58-F65 HydrophobicContact CG1-CE1 3.43Å; V58-F65 VanDerWaalsContact CG1-CE1 3.43Å; V58-F65 HydrophobicContact CG1-CZ 4.42Å; V58-F65 HydrophobicContact CG2-CD1 3.87Å; V58-F65 HydrophobicContact CG2-CE1 4.21Å; F65-A69 HydrophobicContact CB-CB 4.28Å; F65-N70 VanDerWaalsContact CB-OD1 3.3Å; F65-N70 WeakPolarHBondContact CB-OD1 3.47Å; F65-F73 HydrophobicContact CD1-CD2 4.5Å; F65-F73 AromaticContact CD1-CE2 3.7Å; F65-F73 HydrophobicContact CD1-CE2 3.7Å; F65-F73 HydrophobicContact CD1-CZ 4.45Å; F65-F73 HydrophobicContact CE1-CE2 4.02Å; F65-L81 HydrophobicContact CE1-CD1 4.42Å
66	S	64.9	Low	61	Low	40 Å²	40	88.3 Å²	88.3	28%	0.28	45%	0.446	S	S	.	.			trans	-60.5	151.4	169.7	-63.2	0	0	0	0	110.7	V57 L68 A69 N70	V57-S66 PolarHBondContact O-N 3.06Å; V57-S66 VanDerWaalsContact O-N 3.15Å; V57-S66 PolarHBondContact O-OG 3.44Å; S66-L68 PolarHBondContact O-N 3.39Å; S66-L68 VanDerWaalsContact O-N 3.1Å; S66-A69 WeakPolarHBondContact O-CA 3.3Å; S66-A69 WeakPolarHBondContact O-CB 3.37Å; S66-A69 PolarHBondContact O-N 2.98Å; S66-N70 PolarHBondContact O-N 3.26Å; S66-N70 VanDerWaalsContact O-N 3.11Å
67	P	67.6	Low	61.7	Low	106 Å²	106	90.6 Å²	90.6	69%	0.688	46%	0.456	S	S	*	.	H	α-helix	trans	-52.2	-36.8	178.7	-27	33.9	0	0	0	113.5	N70 K71	P67-N70 PolarHBondContact O-N 2.81Å; P67-K71 PolarHBondContact O-N 3.39Å
68	L	65.7	Low	62.2	Low	56 Å²	56	89.9 Å²	89.9	29%	0.293	45%	0.454	S	S	.	.	H	α-helix	trans	-65.6	-38.4	176.9	-166	73	0	0	0	112.6	D54 S66 K71 R72	D54-L68 HydrophobicContact CB-CD2 4.17Å; D54-L68 VanDerWaalsContact O-CD2 3.28Å; D54-L68 WeakPolarHBondContact O-CD2 3.29Å; S66-L68 PolarHBondContact O-N 3.39Å; S66-L68 VanDerWaalsContact O-N 3.1Å; L68-K71 PolarHBondContact O-N 2.98Å; L68-R72 PolarHBondContact O-N 2.75Å
69	A	61.8	Low	63.2	Low	1 Å²	1	95.1 Å²	95.1	1%	0.008	48%	0.475	C	S	.	.	H	α-helix	trans	-65	-46.5	176.2	0	0	0	0	0	109.7	P56 V58 F65 S66 K71 R72 F73	P56-A69 HydrophobicContact CB-CB 3.83Å; V58-A69 HydrophobicContact CG2-CB 4.3Å; F65-A69 HydrophobicContact CB-CB 4.28Å; S66-A69 WeakPolarHBondContact O-CA 3.3Å; S66-A69 WeakPolarHBondContact O-CB 3.37Å; S66-A69 PolarHBondContact O-N 2.98Å; A69-K71 VanDerWaalsContact C-N 3.31Å; A69-K71 PolarHBondContact O-N 3.13Å; A69-R72 PolarHBondContact O-N 2.88Å; A69-F73 VanDerWaalsContact C-CD2 3.44Å; A69-F73 HydrophobicContact CB-CD2 4.45Å; A69-F73 HydrophobicContact CB-CE2 3.69Å; A69-F73 HydrophobicContact CB-CZ 4.33Å; A69-F73 WeakPolarHBondContact O-CD2 3.29Å; A69-F73 VanDerWaalsContact O-CE2 3.32Å; A69-F73 WeakPolarHBondContact O-CE2 3.33Å; A69-F73 WeakPolarHBondContact O-CG 3.41Å; A69-F73 PolarHBondContact O-N 3.23Å; A69-F73 VanDerWaalsContact O-N 3.1Å
70	N	65.3	Low	63.6	Low	96 Å²	96	91.6 Å²	91.6	51%	0.513	46%	0.463	S	S	.	.	H	α-helix	trans	-58.1	-38.3	175.9	-81.2	-14	0	0	0	113.5	F65 S66 P67 R72	F65-N70 VanDerWaalsContact CB-OD1 3.3Å; F65-N70 WeakPolarHBondContact CB-OD1 3.47Å; S66-N70 PolarHBondContact O-N 3.26Å; S66-N70 VanDerWaalsContact O-N 3.11Å; P67-N70 PolarHBondContact O-N 2.81Å; N70-R72 VanDerWaalsContact C-N 3.33Å
71	K	67.9	Low	64.4	Low	184 Å²	184	91 Å²	91	80%	0.8	46%	0.46	S	S	*	.	H	α-helix	trans	-67	-32.1	176.1	-80.2	-175.3	177.7	-179.9	0	113.4	P67 L68 A69	P67-K71 PolarHBondContact O-N 3.39Å; L68-K71 PolarHBondContact O-N 2.98Å; A69-K71 VanDerWaalsContact C-N 3.31Å; A69-K71 PolarHBondContact O-N 3.13Å
72	R	65	Low	65.8	Low	141 Å²	141	90.8 Å²	90.8	53%	0.532	45%	0.453	S	S	.	.	H	α-helix	trans	-84.3	-20.9	-177.8	-73.2	-167.4	-178.1	-162	3.1	113.3	L68 A69 N70 H74	L68-R72 PolarHBondContact O-N 2.75Å; A69-R72 PolarHBondContact O-N 2.88Å; N70-R72 VanDerWaalsContact C-N 3.33Å; R72-H74 PolarHBondContact O-N 2.99Å
73	F	62.4	Low	66.6	Low	43 Å²	43	90.1 Å²	90.1	19%	0.189	45%	0.449	C	S	.	.	S	Bend	trans	-75.9	111.3	174.5	-64.3	-52.2	0	0	0	109.7	M31 V58 F65 A69 D77 L81	M31-F73 HydrophobicContact CE-CD1 4.37Å; M31-F73 HydrophobicContact CE-CE1 3.28Å; M31-F73 HydrophobicContact CE-CZ 3.41Å; M31-F73 VanDerWaalsContact CE-CZ 3.41Å; M31-F73 HydrophobicContact CG-CE1 4.47Å; M31-F73 HydrophobicContact SD-CE1 3.62Å; M31-F73 HydrophobicContact SD-CZ 3.78Å; V58-F73 HydrophobicContact CG2-CE2 4.48Å; V58-F73 HydrophobicContact CG2-CZ 4.19Å; F65-F73 HydrophobicContact CD1-CD2 4.5Å; F65-F73 AromaticContact CD1-CE2 3.7Å; F65-F73 HydrophobicContact CD1-CE2 3.7Å; F65-F73 HydrophobicContact CD1-CZ 4.45Å; F65-F73 HydrophobicContact CE1-CE2 4.02Å; A69-F73 VanDerWaalsContact C-CD2 3.44Å; A69-F73 HydrophobicContact CB-CD2 4.45Å; A69-F73 HydrophobicContact CB-CE2 3.69Å; A69-F73 HydrophobicContact CB-CZ 4.33Å; A69-F73 WeakPolarHBondContact O-CD2 3.29Å; A69-F73 VanDerWaalsContact O-CE2 3.32Å; A69-F73 WeakPolarHBondContact O-CE2 3.33Å; A69-F73 WeakPolarHBondContact O-CG 3.41Å; A69-F73 PolarHBondContact O-N 3.23Å; A69-F73 VanDerWaalsContact O-N 3.1Å; F73-D77 HydrophobicContact CB-CB 4.23Å; F73-D77 HydrophobicContact CD1-CB 4.1Å; F73-L81 HydrophobicContact CD1-CD1 3.61Å; F73-L81 HydrophobicContact CD2-CD1 4.05Å; F73-L81 HydrophobicContact CE1-CD1 3.64Å; F73-L81 HydrophobicContact CE2-CD1 4.06Å; F73-L81 HydrophobicContact CG-CD1 3.86Å; F73-L81 HydrophobicContact CZ-CD1 3.88Å
74	H	61.5	Low	67.1	Low	148 Å²	148	86.6 Å²	86.6	69%	0.685	44%	0.435	S	S	*	.			trans	-63.6	157.5	165.6	-93.6	-82.2	0	0	0	109.4	R72 N76 D77 S78	R72-H74 PolarHBondContact O-N 2.99Å; H74-N76 PolarHBondContact O-N 3.15Å; H74-N76 VanDerWaalsContact O-N 3.08Å; H74-D77 PolarHBondContact N-OD2 3.34Å; H74-D77 VanDerWaalsContact N-OD2 3.13Å; H74-D77 WeakPolarHBondContact O-CA 3.3Å; H74-D77 WeakPolarHBondContact O-CB 3.28Å; H74-D77 PolarHBondContact O-N 2.99Å; H74-S78 PolarHBondContact O-N 3.41Å
75	D	65.9	Low	68	Low	141 Å²	141	86 Å²	86	75%	0.754	43%	0.428	S	S	*	.	H	α-helix	trans	-58.5	-30	-175.2	-145.4	15.7	0	0	0	112.6	S78 K79	D75-S78 WeakPolarHBondContact O-CB 3.43Å; D75-S78 PolarHBondContact O-N 3.34Å; D75-K79 PolarHBondContact O-N 2.89Å; D75-K79 VanDerWaalsContact O-N 3.15Å
76	N	66	Low	69	Low	129 Å²	129	89.4 Å²	89.4	69%	0.69	44%	0.442	S	S	*	.	H	α-helix	trans	-67.4	-37.6	171.3	-73.1	-24	0	0	0	113.4	H74 S78 K79 T80	H74-N76 PolarHBondContact O-N 3.15Å; H74-N76 VanDerWaalsContact O-N 3.08Å; N76-S78 VanDerWaalsContact C-N 3.32Å; N76-K79 PolarHBondContact O-N 3.32Å; N76-T80 PolarHBondContact O-N 3.42Å; N76-T80 VanDerWaalsContact O-N 3.08Å; N76-T80 PolarHBondContact O-OG1 2.98Å; N76-T80 VanDerWaalsContact O-OG1 3.07Å
77	D	67.5	Low	69.4	Low	72 Å²	72	90.1 Å²	90.1	39%	0.385	45%	0.45	S	S	.	.	H	α-helix	trans	-67.9	-38.4	175.9	-58.2	-32.6	0	0	0	110.1	F73 H74 K79 T80 L81	F73-D77 HydrophobicContact CB-CB 4.23Å; F73-D77 HydrophobicContact CD1-CB 4.1Å; H74-D77 PolarHBondContact N-OD2 3.34Å; H74-D77 VanDerWaalsContact N-OD2 3.13Å; H74-D77 WeakPolarHBondContact O-CA 3.3Å; H74-D77 WeakPolarHBondContact O-CB 3.28Å; H74-D77 PolarHBondContact O-N 2.99Å; D77-K79 VanDerWaalsContact C-N 3.34Å; D77-K79 PolarHBondContact O-N 3.32Å; D77-T80 PolarHBondContact O-N 2.91Å; D77-L81 WeakPolarHBondContact O-CB 3.33Å; D77-L81 WeakPolarHBondContact O-CG 3.18Å; D77-L81 PolarHBondContact O-N 3.13Å
78	S	69.9	Low	69.7	Low	37 Å²	37	86.2 Å²	86.2	26%	0.259	42%	0.424	S	S	.	.	H	α-helix	trans	-57.8	-44.9	173.6	177.3	0	0	0	0	111.7	H74 D75 N76 L81 K82	H74-S78 PolarHBondContact O-N 3.41Å; D75-S78 WeakPolarHBondContact O-CB 3.43Å; D75-S78 PolarHBondContact O-N 3.34Å; N76-S78 VanDerWaalsContact C-N 3.32Å; S78-L81 PolarHBondContact O-N 3.22Å; S78-K82 WeakPolarHBondContact O-CB 3.48Å; S78-K82 VanDerWaalsContact O-CG 3.27Å; S78-K82 WeakPolarHBondContact O-CG 3.36Å; S78-K82 PolarHBondContact O-N 3.22Å
79	K	74.3	Confident	70.2	Confident	138 Å²	138	86.9 Å²	86.9	60%	0.6	43%	0.431	S	S	*	.	H	α-helix	trans	-62.1	-44.8	174.7	-170.8	-179.7	179.7	-179.8	0	111.9	D75 N76 D77 K82 M83	D75-K79 PolarHBondContact O-N 2.89Å; D75-K79 VanDerWaalsContact O-N 3.15Å; N76-K79 PolarHBondContact O-N 3.32Å; D77-K79 VanDerWaalsContact C-N 3.34Å; D77-K79 PolarHBondContact O-N 3.32Å; K79-K82 WeakPolarHBondContact O-CB 3.4Å; K79-K82 PolarHBondContact O-N 3.01Å; K79-M83 HydrophobicContact CG-CE 4.32Å; K79-M83 WeakPolarHBondContact O-CG 3.18Å; K79-M83 PolarHBondContact O-N 3.48Å
80	T	70.9	Confident	71.2	Confident	45 Å²	45	91.3 Å²	91.3	28%	0.276	45%	0.452	S	S	.	.	H	α-helix	trans	-64.8	-42.8	179.6	-56.4	0	0	0	0	111.9	N76 D77 K82 M83 I84	N76-T80 PolarHBondContact O-N 3.42Å; N76-T80 VanDerWaalsContact O-N 3.08Å; N76-T80 PolarHBondContact O-OG1 2.98Å; N76-T80 VanDerWaalsContact O-OG1 3.07Å; D77-T80 PolarHBondContact O-N 2.91Å; T80-K82 VanDerWaalsContact C-N 3.34Å; T80-K82 PolarHBondContact O-N 3.19Å; T80-M83 WeakPolarHBondContact O-CB 3.35Å; T80-M83 PolarHBondContact O-N 2.91Å; T80-M83 VanDerWaalsContact O-N 3.14Å; T80-I84 HydrophobicContact CG2-CD1 4.22Å; T80-I84 WeakPolarHBondContact O-CG1 3.46Å; T80-I84 PolarHBondContact O-N 3.39Å
81	L	69.5	Low	71.7	Confident	27 Å²	27	90.2 Å²	90.2	14%	0.141	45%	0.445	C	S	.	.	H	α-helix	trans	-61.8	-41.9	175	-81.1	167.8	0	0	0	112.3	M31 F65 F73 D77 S78 M83 I84 L85	M31-L81 HydrophobicContact CE-CD1 3.61Å; M31-L81 HydrophobicContact CE-CD2 3.12Å; M31-L81 HydrophobicContact CE-CG 3.8Å; F65-L81 HydrophobicContact CE1-CD1 4.42Å; F73-L81 HydrophobicContact CD1-CD1 3.61Å; F73-L81 HydrophobicContact CD2-CD1 4.05Å; F73-L81 HydrophobicContact CE1-CD1 3.64Å; F73-L81 HydrophobicContact CE2-CD1 4.06Å; F73-L81 HydrophobicContact CG-CD1 3.86Å; F73-L81 HydrophobicContact CZ-CD1 3.88Å; D77-L81 WeakPolarHBondContact O-CB 3.33Å; D77-L81 WeakPolarHBondContact O-CG 3.18Å; D77-L81 PolarHBondContact O-N 3.13Å; S78-L81 PolarHBondContact O-N 3.22Å; L81-M83 VanDerWaalsContact C-N 3.29Å; L81-M83 PolarHBondContact O-N 2.7Å; L81-I84 PolarHBondContact O-N 2.86Å; L81-L85 VanDerWaalsContact O-CB 3.23Å; L81-L85 WeakPolarHBondContact O-CB 3.46Å; L81-L85 PolarHBondContact O-N 2.91Å
82	K	76.8	Confident	72.2	Confident	143 Å²	143	84.1 Å²	84.1	62%	0.622	43%	0.426	S	S	*	.	H	α-helix	trans	-59.3	-40.8	173.4	-75.3	171.6	-176.8	175.7	0	111.5	S78 K79 T80 L85 K86	S78-K82 WeakPolarHBondContact O-CB 3.48Å; S78-K82 VanDerWaalsContact O-CG 3.27Å; S78-K82 WeakPolarHBondContact O-CG 3.36Å; S78-K82 PolarHBondContact O-N 3.22Å; K79-K82 WeakPolarHBondContact O-CB 3.4Å; K79-K82 PolarHBondContact O-N 3.01Å; T80-K82 VanDerWaalsContact C-N 3.34Å; T80-K82 PolarHBondContact O-N 3.19Å; K82-L85 PolarHBondContact O-N 2.98Å; K82-K86 WeakPolarHBondContact O-CB 3.5Å; K82-K86 PolarHBondContact O-N 3.43Å
83	M	75.4	Confident	72.9	Confident	106 Å²	106	80 Å²	80	52%	0.522	42%	0.418	S	S	.	.	H	α-helix	trans	-65	-46.6	176.2	-69.7	-174.5	-71.3	0	0	112.1	K79 T80 L81 L85 K86 A87	K79-M83 HydrophobicContact CG-CE 4.32Å; K79-M83 WeakPolarHBondContact O-CG 3.18Å; K79-M83 PolarHBondContact O-N 3.48Å; T80-M83 WeakPolarHBondContact O-CB 3.35Å; T80-M83 PolarHBondContact O-N 2.91Å; T80-M83 VanDerWaalsContact O-N 3.14Å; L81-M83 VanDerWaalsContact C-N 3.29Å; L81-M83 PolarHBondContact O-N 2.7Å; M83-L85 VanDerWaalsContact C-N 3.34Å; M83-L85 PolarHBondContact O-N 3.1Å; M83-K86 WeakPolarHBondContact O-CB 3.33Å; M83-K86 PolarHBondContact O-N 2.95Å; M83-A87 PolarHBondContact O-N 2.99Å
84	I	72.2	Confident	73.8	Confident	49 Å²	49	80.4 Å²	80.4	25%	0.251	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-46.1	176.6	-66.4	169	0	0	0	110.3	V27 T80 L81 K86 A87 V88	V27-I84 HydrophobicContact CG2-CG2 4.24Å; T80-I84 HydrophobicContact CG2-CD1 4.22Å; T80-I84 WeakPolarHBondContact O-CG1 3.46Å; T80-I84 PolarHBondContact O-N 3.39Å; L81-I84 PolarHBondContact O-N 2.86Å; I84-K86 VanDerWaalsContact C-N 3.29Å; I84-K86 PolarHBondContact O-N 3.34Å; I84-A87 PolarHBondContact O-N 3.45Å; I84-V88 HydrophobicContact CG2-CG2 4.28Å; I84-V88 VanDerWaalsContact O-CG2 3.31Å; I84-V88 WeakPolarHBondContact O-CG2 3.15Å; I84-V88 PolarHBondContact O-N 3.36Å
85	L	75.4	Confident	74.6	Confident	40 Å²	40	74.9 Å²	74.9	21%	0.209	40%	0.396	C	S	.	.	H	α-helix	trans	-62.4	-37.6	179.7	-173	67.2	0	0	0	112	K63 L81 K82 M83 T89	K63-L85 HydrophobicContact CD-CD2 3.83Å; K63-L85 HydrophobicContact CG-CD1 4.2Å; K63-L85 HydrophobicContact CG-CD2 3.87Å; L81-L85 VanDerWaalsContact O-CB 3.23Å; L81-L85 WeakPolarHBondContact O-CB 3.46Å; L81-L85 PolarHBondContact O-N 2.91Å; K82-L85 PolarHBondContact O-N 2.98Å; M83-L85 VanDerWaalsContact C-N 3.34Å; M83-L85 PolarHBondContact O-N 3.1Å; L85-T89 WeakPolarHBondContact O-CB 3.26Å; L85-T89 PolarHBondContact O-N 3.02Å; L85-T89 PolarHBondContact O-OG1 3.44Å
86	K	82.3	Confident	75.2	Confident	136 Å²	136	73 Å²	73	59%	0.591	39%	0.385	S	S	*	.	H	α-helix	trans	-62.2	-50.2	173	-172.1	-176.5	178.4	-166.8	0	111	K82 M83 I84 V88 T89 E90	K82-K86 WeakPolarHBondContact O-CB 3.5Å; K82-K86 PolarHBondContact O-N 3.43Å; M83-K86 WeakPolarHBondContact O-CB 3.33Å; M83-K86 PolarHBondContact O-N 2.95Å; I84-K86 VanDerWaalsContact C-N 3.29Å; I84-K86 PolarHBondContact O-N 3.34Å; K86-V88 VanDerWaalsContact C-N 3.33Å; K86-V88 PolarHBondContact O-N 3.09Å; K86-T89 WeakPolarHBondContact O-CB 3.3Å; K86-T89 PolarHBondContact O-N 3.1Å; K86-T89 VanDerWaalsContact O-N 3.1Å; K86-E90 WeakPolarHBondContact CE-OE1 3.09Å; K86-E90 IonicContact NZ-OE1 3.81Å; K86-E90 PolarHBondContact O-N 3.46Å
87	A	74.8	Confident	76	Confident	54 Å²	54	72.7 Å²	72.7	45%	0.446	38%	0.38	S	S	.	.	H	α-helix	trans	-60.4	-40.9	178.3	0	0	0	0	0	112.4	M83 I84 T89 E90 L91	M83-A87 PolarHBondContact O-N 2.99Å; I84-A87 PolarHBondContact O-N 3.45Å; A87-T89 VanDerWaalsContact C-N 3.34Å; A87-E90 PolarHBondContact O-N 3.4Å; A87-L91 VanDerWaalsContact O-CB 3.3Å; A87-L91 WeakPolarHBondContact O-CB 3.49Å; A87-L91 PolarHBondContact O-N 2.91Å
88	V	72.5	Confident	76.4	Confident	24 Å²	24	71.6 Å²	71.6	15%	0.145	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-40.9	174.7	169	0	0	0	0	111.5	I23 I84 K86 L91 S92	I23-V88 HydrophobicContact CD1-CB 4.37Å; I23-V88 HydrophobicContact CD1-CG1 3.65Å; I23-V88 HydrophobicContact CD1-CG2 3.88Å; I23-V88 HydrophobicContact CG1-CG2 3.86Å; I23-V88 HydrophobicContact CG2-CG2 3.98Å; I84-V88 HydrophobicContact CG2-CG2 4.28Å; I84-V88 VanDerWaalsContact O-CG2 3.31Å; I84-V88 WeakPolarHBondContact O-CG2 3.15Å; I84-V88 PolarHBondContact O-N 3.36Å; K86-V88 VanDerWaalsContact C-N 3.33Å; K86-V88 PolarHBondContact O-N 3.09Å; V88-L91 PolarHBondContact O-N 2.92Å; V88-S92 VanDerWaalsContact O-CB 3.29Å; V88-S92 WeakPolarHBondContact O-CB 3.5Å; V88-S92 PolarHBondContact O-N 2.65Å
89	T	77.9	Confident	76.8	Confident	70 Å²	70	70.8 Å²	70.8	43%	0.429	37%	0.367	S	S	.	.	H	α-helix	trans	-66	-44	178.1	-54.5	0	0	0	0	110.9	L85 K86 A87 S92 S93	L85-T89 WeakPolarHBondContact O-CB 3.26Å; L85-T89 PolarHBondContact O-N 3.02Å; L85-T89 PolarHBondContact O-OG1 3.44Å; K86-T89 WeakPolarHBondContact O-CB 3.3Å; K86-T89 PolarHBondContact O-N 3.1Å; K86-T89 VanDerWaalsContact O-N 3.1Å; A87-T89 VanDerWaalsContact C-N 3.34Å; T89-S92 PolarHBondContact O-N 2.88Å; T89-S93 PolarHBondContact O-N 3.38Å
90	E	82	Confident	77.1	Confident	95 Å²	95	67 Å²	67	44%	0.444	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-46.1	175.6	-75.5	172.3	-172.8	0	0	111.4	K86 A87 S92 S93 K94	K86-E90 WeakPolarHBondContact CE-OE1 3.09Å; K86-E90 IonicContact NZ-OE1 3.81Å; K86-E90 PolarHBondContact O-N 3.46Å; A87-E90 PolarHBondContact O-N 3.4Å; E90-S92 VanDerWaalsContact C-N 3.34Å; E90-S92 PolarHBondContact O-N 3.19Å; E90-S93 PolarHBondContact O-N 3.36Å; E90-S93 VanDerWaalsContact O-N 3.15Å; E90-S93 PolarHBondContact O-OG 3.41Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.15Å
91	L	75.3	Confident	77.3	Confident	73 Å²	73	69.6 Å²	69.6	38%	0.382	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-40.5	177.9	-173.2	57.2	0	0	0	112.3	L19 A87 V88 S93 K94 L95	L19-L91 HydrophobicContact CD1-CD2 3.28Å; L19-L91 HydrophobicContact CD1-CG 3.95Å; L19-L91 HydrophobicContact CD2-CD2 4.43Å; L19-L91 HydrophobicContact CD2-CG 4.32Å; L19-L91 HydrophobicContact CG-CD2 4.43Å; A87-L91 VanDerWaalsContact O-CB 3.3Å; A87-L91 WeakPolarHBondContact O-CB 3.49Å; A87-L91 PolarHBondContact O-N 2.91Å; V88-L91 PolarHBondContact O-N 2.92Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 2.94Å; L91-K94 PolarHBondContact O-N 3.42Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 PolarHBondContact O-N 3.21Å
92	S	78.3	Confident	77.3	Confident	55 Å²	55	70.9 Å²	70.9	39%	0.385	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-41.2	173.5	-175.4	0	0	0	0	111.7	V88 T89 E90 L95 N96	V88-S92 VanDerWaalsContact O-CB 3.29Å; V88-S92 WeakPolarHBondContact O-CB 3.5Å; V88-S92 PolarHBondContact O-N 2.65Å; T89-S92 PolarHBondContact O-N 2.88Å; E90-S92 VanDerWaalsContact C-N 3.34Å; E90-S92 PolarHBondContact O-N 3.19Å; S92-L95 PolarHBondContact O-N 3.49Å; S92-N96 PolarHBondContact O-N 3.44Å; S92-N96 PolarHBondContact O-ND2 2.98Å
93	S	81.1	Confident	77.4	Confident	54 Å²	54	70.3 Å²	70.3	38%	0.378	37%	0.371	S	S	.	.	H	α-helix	trans	-62.6	-45.5	175.7	76.1	0	0	0	0	112.4	T89 E90 L91 L95 N96 E97	T89-S93 PolarHBondContact O-N 3.38Å; E90-S93 PolarHBondContact O-N 3.36Å; E90-S93 VanDerWaalsContact O-N 3.15Å; E90-S93 PolarHBondContact O-OG 3.41Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 2.94Å; S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 3.15Å; S93-N96 WeakPolarHBondContact O-CB 3.45Å; S93-N96 PolarHBondContact O-N 3.19Å; S93-N96 VanDerWaalsContact O-N 3.16Å; S93-E97 PolarHBondContact O-N 3.41Å
94	K	81	Confident	77.5	Confident	53 Å²	53	68.7 Å²	68.7	23%	0.23	37%	0.37	C	S	.	.	H	α-helix	trans	-64.1	-35.2	177.1	-64.1	-175.5	-177.1	-180	0	112.1	E90 L91 E97 L98 L125	E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.15Å; L91-K94 PolarHBondContact O-N 3.42Å; K94-E97 PolarHBondContact O-N 3.27Å; K94-L98 WeakPolarHBondContact O-CB 3.27Å; K94-L98 PolarHBondContact O-N 2.96Å; K94-L125 HydrophobicContact CB-CD2 3.74Å; K94-L125 HydrophobicContact CD-CD2 3.73Å; K94-L125 HydrophobicContact CG-CD2 4.37Å
95	L	77.7	Confident	77.1	Confident	32 Å²	32	69.7 Å²	69.7	17%	0.168	38%	0.381	C	S	.	.	H	α-helix	trans	-68	-37.6	176	-161.4	152.1	0	0	0	111.4	I16 L19 L91 S92 S93 L98 T99	I16-L95 HydrophobicContact CG1-CD2 4.13Å; L19-L95 HydrophobicContact CD2-CD1 3.85Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 PolarHBondContact O-N 3.21Å; S92-L95 PolarHBondContact O-N 3.49Å; S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 3.15Å; L95-L98 PolarHBondContact O-N 3.29Å; L95-T99 WeakPolarHBondContact O-CB 3.44Å; L95-T99 PolarHBondContact O-N 3.47Å; L95-T99 PolarHBondContact O-OG1 3.27Å
96	N	78.3	Confident	76.5	Confident	100 Å²	100	70.8 Å²	70.8	54%	0.535	39%	0.392	S	S	.	.	H	α-helix	trans	-64.8	-41.4	172.8	-71.1	-34.7	0	0	0	112	S92 S93 T99 A100	S92-N96 PolarHBondContact O-N 3.44Å; S92-N96 PolarHBondContact O-ND2 2.98Å; S93-N96 WeakPolarHBondContact O-CB 3.45Å; S93-N96 PolarHBondContact O-N 3.19Å; S93-N96 VanDerWaalsContact O-N 3.16Å; N96-T99 PolarHBondContact O-N 2.97Å; N96-A100 WeakPolarHBondContact O-CB 3.29Å; N96-A100 PolarHBondContact O-N 3.04Å
97	E	82.9	Confident	75.7	Confident	124 Å²	124	72.6 Å²	72.6	58%	0.579	41%	0.405	S	S	*	.	H	α-helix	trans	-60.8	-48.1	173.7	-72.4	175.7	-176	0	0	111.7	S93 K94 T99 A100 Y101	S93-E97 PolarHBondContact O-N 3.41Å; K94-E97 PolarHBondContact O-N 3.27Å; E97-T99 VanDerWaalsContact C-N 3.28Å; E97-T99 PolarHBondContact O-N 2.76Å; E97-A100 WeakPolarHBondContact O-CB 3.27Å; E97-A100 PolarHBondContact O-N 2.77Å; E97-A100 VanDerWaalsContact O-N 3.13Å; E97-Y101 PolarHBondContact O-N 2.97Å
98	L	76.7	Confident	74.7	Confident	48 Å²	48	73.3 Å²	73.3	25%	0.251	42%	0.418	S	S	.	.	H	α-helix	trans	-59.1	-41.3	175.4	179.6	63.9	0	0	0	111.4	K94 L95 A100 Y101 I102 L122 L125	K94-L98 WeakPolarHBondContact O-CB 3.27Å; K94-L98 PolarHBondContact O-N 2.96Å; L95-L98 PolarHBondContact O-N 3.29Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 3.19Å; L98-Y101 WeakPolarHBondContact O-CB 3.48Å; L98-Y101 PolarHBondContact O-N 2.95Å; L98-I102 HydrophobicContact CD1-CD1 4.3Å; L98-I102 HydrophobicContact CD1-CG1 4.48Å; L98-I102 HydrophobicContact CG-CD1 4.05Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 3.42Å; L98-L122 HydrophobicContact CD2-CD2 4.5Å; L98-L125 HydrophobicContact CD2-CD1 4.35Å
99	T	76.9	Confident	73.6	Confident	21 Å²	21	75.9 Å²	75.9	13%	0.129	44%	0.441	C	S	.	.	H	α-helix	trans	-64.3	-39.8	177.1	-60.1	0	0	0	0	111.6	I12 L95 N96 E97 K103	I12-T99 HydrophobicContact CD1-CG2 4.12Å; L95-T99 WeakPolarHBondContact O-CB 3.44Å; L95-T99 PolarHBondContact O-N 3.47Å; L95-T99 PolarHBondContact O-OG1 3.27Å; N96-T99 PolarHBondContact O-N 2.97Å; E97-T99 VanDerWaalsContact C-N 3.28Å; E97-T99 PolarHBondContact O-N 2.76Å; T99-K103 HydrophobicContact CG2-CD 4.42Å; T99-K103 WeakPolarHBondContact O-CG 3.49Å; T99-K103 PolarHBondContact O-N 2.8Å
100	A	80.5	Confident	72.3	Confident	58 Å²	58	81.5 Å²	81.5	48%	0.479	46%	0.46	S	S	.	.	H	α-helix	trans	-66.5	-39.9	174.9	0	0	0	0	0	111.7	N96 E97 L98 K103 S104	N96-A100 WeakPolarHBondContact O-CB 3.29Å; N96-A100 PolarHBondContact O-N 3.04Å; E97-A100 WeakPolarHBondContact O-CB 3.27Å; E97-A100 PolarHBondContact O-N 2.77Å; E97-A100 VanDerWaalsContact O-N 3.13Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 3.19Å; A100-K103 PolarHBondContact O-N 2.83Å; A100-S104 WeakPolarHBondContact O-CB 3.31Å; A100-S104 PolarHBondContact O-N 3.14Å; A100-S104 PolarHBondContact O-OG 3.27Å
101	Y	76.7	Confident	70.6	Confident	99 Å²	99	82.6 Å²	82.6	39%	0.388	47%	0.469	S	S	.	.	H	α-helix	trans	-60.8	-49.3	173.9	176.9	-97.3	0	0	0	111.8	E97 L98 K103 S104 S105	E97-Y101 PolarHBondContact O-N 2.97Å; L98-Y101 WeakPolarHBondContact O-CB 3.48Å; L98-Y101 PolarHBondContact O-N 2.95Å; Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 3.36Å; Y101-S104 WeakPolarHBondContact CA-OG 3.3Å; Y101-S104 PolarHBondContact O-N 3.02Å; Y101-S104 PolarHBondContact O-OG 3.47Å; Y101-S105 WeakPolarHBondContact O-CB 3.48Å; Y101-S105 PolarHBondContact O-N 3.43Å
102	I	69.6	Low	69.3	Low	55 Å²	55	89.3 Å²	89.3	28%	0.282	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-42.7	177.8	-67.4	166.1	0	0	0	111.1	L98 S106	L98-I102 HydrophobicContact CD1-CD1 4.3Å; L98-I102 HydrophobicContact CD1-CG1 4.48Å; L98-I102 HydrophobicContact CG-CD1 4.05Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 3.42Å; I102-S106 VanDerWaalsContact O-CB 3.28Å; I102-S106 WeakPolarHBondContact O-CB 3.39Å; I102-S106 PolarHBondContact O-N 3.14Å
103	K	78	Confident	67.6	Low	130 Å²	130	92.3 Å²	92.3	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-63.6	-43.9	177.7	-76.8	176.3	-177.8	175	0	112.3	T99 A100 Y101 S106 M107	T99-K103 HydrophobicContact CG2-CD 4.42Å; T99-K103 WeakPolarHBondContact O-CG 3.49Å; T99-K103 PolarHBondContact O-N 2.8Å; A100-K103 PolarHBondContact O-N 2.83Å; Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 3.36Å; K103-S106 PolarHBondContact O-N 3.43Å; K103-M107 PolarHBondContact O-N 3.06Å
104	S	76.8	Confident	65.9	Low	72 Å²	72	94.5 Å²	94.5	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-69.8	-39.7	179.3	55.4	0	0	0	0	112.4	A100 Y101 S106 M107 G108	A100-S104 WeakPolarHBondContact O-CB 3.31Å; A100-S104 PolarHBondContact O-N 3.14Å; A100-S104 PolarHBondContact O-OG 3.27Å; Y101-S104 WeakPolarHBondContact CA-OG 3.3Å; Y101-S104 PolarHBondContact O-N 3.02Å; Y101-S104 PolarHBondContact O-OG 3.47Å; S104-S106 VanDerWaalsContact C-N 3.33Å; S104-S106 PolarHBondContact O-N 2.94Å; S104-M107 PolarHBondContact O-N 3.33Å; S104-G108 PolarHBondContact O-N 3.25Å
105	S	64.9	Low	64.1	Low	70 Å²	70	99.1 Å²	99.1	49%	0.49	55%	0.551	S	S	.	*	H	α-helix	trans	-62	-39.4	173.5	173.1	0	0	0	0	112.2	Y101 M107 G108	Y101-S105 WeakPolarHBondContact O-CB 3.48Å; Y101-S105 PolarHBondContact O-N 3.43Å; S105-M107 VanDerWaalsContact C-N 3.33Å; S105-M107 PolarHBondContact O-N 2.98Å; S105-G108 PolarHBondContact O-N 2.94Å
106	S	63.1	Low	62.6	Low	63 Å²	63	104 Å²	104	44%	0.441	58%	0.577	S	S	.	*	H	α-helix	trans	-67.5	-29.3	178.3	-174.3	0	0	0	0	113.3	I102 K103 S104	I102-S106 VanDerWaalsContact O-CB 3.28Å; I102-S106 WeakPolarHBondContact O-CB 3.39Å; I102-S106 PolarHBondContact O-N 3.14Å; K103-S106 PolarHBondContact O-N 3.43Å; S104-S106 VanDerWaalsContact C-N 3.33Å; S104-S106 PolarHBondContact O-N 2.94Å
107	M	64.5	Low	61.1	Low	175 Å²	175	105.7 Å²	105.7	86%	0.862	59%	0.585	S	S	*	*	H	α-helix	trans	-80.8	-20.3	179	-72.6	179.9	118.8	0	0	113.9	K103 S104 S105	K103-M107 PolarHBondContact O-N 3.06Å; S104-M107 PolarHBondContact O-N 3.33Å; S105-M107 VanDerWaalsContact C-N 3.33Å; S105-M107 PolarHBondContact O-N 2.98Å
108	G	53.9	Low	59.2	Low	69 Å²	69	103.9 Å²	103.9	71%	0.711	58%	0.579	S	S	*	*	H	α-helix	trans	-90.1	-14.3	-168.2	0	0	0	0	0	117.5	S104 S105	S104-G108 PolarHBondContact O-N 3.25Å; S105-G108 PolarHBondContact O-N 2.94Å
109	A	48.9	Very low	57.6	Low	77 Å²	77	105.6 Å²	105.6	64%	0.636	59%	0.592	S	S	*	*			trans	-126.9	80.4	-172	0	0	0	0	0	112.1	D111	A109-D111 PolarHBondContact O-N 3.37Å
110	K	50.5	Low	55.9	Low	189 Å²	189	107.8 Å²	107.8	82%	0.822	61%	0.608	S	S	*	*	S	Bend	trans	-84.5	45.9	155.1	-79.4	-166.2	177.8	179.6	0	110.6
111	D	47.1	Very low	53.9	Low	117 Å²	117	107.3 Å²	107.3	63%	0.626	60%	0.601	S	S	*	*	S	Bend	trans	-162.4	117.6	159.9	-143.1	-5.7	0	0	0	110	A109	A109-D111 PolarHBondContact O-N 3.37Å
112	R	47.6	Very low	52.2	Low	215 Å²	215	106.1 Å²	106.1	81%	0.811	60%	0.601	S	S	*	*			trans	69.8	108.7	168.1	-55.3	176.4	-166.8	-171.5	-0.4	116.8	S114	R112-S114 PolarHBondContact O-N 3.5Å
113	C	42.6	Very low	50.7	Low	118 Å²	118	106.7 Å²	106.7	80%	0.797	61%	0.614	S	S	*	*			trans	-41.7	103.6	161.4	-153.9	0	0	0	0	110.5	D115	C113-D115 PolarHBondContact SG-OD1 2.84Å
114	S	45.1	Very low	48.7	Very low	99 Å²	99	106.2 Å²	106.2	69%	0.692	61%	0.613	S	S	*	*			trans	-113.1	105.3	164.1	-179.2	0	0	0	0	106.2	R112 N116	R112-S114 PolarHBondContact O-N 3.5Å; S114-N116 PolarHBondContact O-N 2.93Å
115	D	45.1	Very low	46.9	Very low	150 Å²	150	105 Å²	105	80%	0.802	60%	0.6	S	S	*	*			trans	-72.6	30.6	-176.7	-63.1	-36.9	0	0	0	113.4	C113	C113-D115 PolarHBondContact SG-OD1 2.84Å
116	N	45	Very low	45.8	Very low	134 Å²	134	105.9 Å²	105.9	72%	0.717	60%	0.599	S	S	*	*			trans	-113.3	80.7	178.3	-146.5	3.1	0	0	0	108.8	S114 D118	S114-N116 PolarHBondContact O-N 2.93Å; N116-D118 PolarHBondContact O-N 3.36Å
117	I	46.7	Very low	45	Very low	137 Å²	137	108.6 Å²	108.6	70%	0.703	60%	0.603	S	S	*	*			trans	-60.2	108.5	160	-63.5	174.8	0	0	0	104.9	T119	I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 3.34Å
118	D	43.7	Very low	44.2	Very low	85 Å²	85	102.8 Å²	102.8	46%	0.455	58%	0.577	S	S	.	*			trans	-62.9	95.9	177.8	-176.3	7.9	0	0	0	109.4	N116 S120 S121	N116-D118 PolarHBondContact O-N 3.36Å; D118-S120 PolarHBondContact O-N 2.87Å; D118-S120 VanDerWaalsContact O-N 3.15Å; D118-S120 WeakPolarHBondContact OD1-CB 3.36Å; D118-S120 PolarHBondContact OD1-N 3.4Å; D118-S120 PolarHBondContact OD1-OG 2.81Å; D118-S120 PolarHBondContact OD2-OG 2.98Å; D118-S121 PolarHBondContact O-N 3.48Å
119	T	42.7	Very low	43.7	Very low	84 Å²	84	103.6 Å²	103.6	52%	0.515	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.6	-7.1	-180	48.8	0	0	0	0	112.3	I117 S121 L122 A123	I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 3.34Å; T119-S121 PolarHBondContact O-N 3.34Å; T119-S121 VanDerWaalsContact O-N 3.17Å; T119-L122 HydrophobicContact CG2-CD1 4.38Å; T119-L122 WeakPolarHBondContact O-CA 3.26Å; T119-L122 WeakPolarHBondContact O-CB 3.49Å; T119-L122 PolarHBondContact O-N 3.46Å; T119-A123 PolarHBondContact O-N 3.37Å
120	S	41.2	Very low	43.8	Very low	67 Å²	67	105.3 Å²	105.3	47%	0.469	57%	0.565	S	S	.	*	H	α-helix	trans	-55.9	-31.7	172.4	75.1	0	0	0	0	112.2	D118 L122 A123	D118-S120 PolarHBondContact O-N 2.87Å; D118-S120 VanDerWaalsContact O-N 3.15Å; D118-S120 WeakPolarHBondContact OD1-CB 3.36Å; D118-S120 PolarHBondContact OD1-N 3.4Å; D118-S120 PolarHBondContact OD1-OG 2.81Å; D118-S120 PolarHBondContact OD2-OG 2.98Å; S120-L122 VanDerWaalsContact C-N 3.32Å; S120-L122 PolarHBondContact O-N 3.34Å; S120-A123 VanDerWaalsContact O-CB 3.32Å; S120-A123 WeakPolarHBondContact O-CB 3.4Å; S120-A123 PolarHBondContact O-N 2.93Å
121	S	39.3	Very low	43.7	Very low	48 Å²	48	100.3 Å²	100.3	34%	0.336	54%	0.544	S	S	.	.	H	α-helix	trans	-69.5	-28.9	176.6	-60.8	0	0	0	0	112.5	D118 T119 F124	D118-S121 PolarHBondContact O-N 3.48Å; T119-S121 PolarHBondContact O-N 3.34Å; T119-S121 VanDerWaalsContact O-N 3.17Å; S121-F124 WeakPolarHBondContact O-CB 3.3Å; S121-F124 PolarHBondContact O-N 3.24Å
122	L	39.8	Very low	43.6	Very low	74 Å²	74	98.1 Å²	98.1	39%	0.387	53%	0.532	S	S	.	.	H	α-helix	trans	-74.3	-28.2	172.8	-72.7	171.3	0	0	0	111.9	L98 T119 S120 F124 L125	L98-L122 HydrophobicContact CD2-CD2 4.5Å; T119-L122 HydrophobicContact CG2-CD1 4.38Å; T119-L122 WeakPolarHBondContact O-CA 3.26Å; T119-L122 WeakPolarHBondContact O-CB 3.49Å; T119-L122 PolarHBondContact O-N 3.46Å; S120-L122 VanDerWaalsContact C-N 3.32Å; S120-L122 PolarHBondContact O-N 3.34Å; L122-F124 PolarHBondContact O-N 3.04Å; L122-L125 HydrophobicContact CD2-CD1 3.84Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 3.15Å
123	A	37.9	Very low	43.7	Very low	68 Å²	68	95 Å²	95	56%	0.562	52%	0.52	S	S	*	.	H	α-helix	trans	-60.2	-27	173.3	0	0	0	0	0	111.8	T119 S120 L125 L126	T119-A123 PolarHBondContact O-N 3.37Å; S120-A123 VanDerWaalsContact O-CB 3.32Å; S120-A123 WeakPolarHBondContact O-CB 3.4Å; S120-A123 PolarHBondContact O-N 2.93Å; A123-L125 VanDerWaalsContact C-N 3.27Å; A123-L125 PolarHBondContact O-N 3.37Å; A123-L126 PolarHBondContact O-N 3.45Å
124	F	37.3	Very low	44.1	Very low	120 Å²	120	94 Å²	94	53%	0.526	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.8	175.2	-162.8	-90.9	0	0	0	113.9	S121 L122 L126 K127	S121-F124 WeakPolarHBondContact O-CB 3.3Å; S121-F124 PolarHBondContact O-N 3.24Å; L122-F124 PolarHBondContact O-N 3.04Å; F124-L126 VanDerWaalsContact C-N 3.34Å; F124-K127 VanDerWaalsContact CD2-CE 3.49Å; F124-K127 VanDerWaalsContact CZ-CE 3.41Å; F124-K127 WeakPolarHBondContact O-CG 3.5Å
125	L	37.4	Very low	44	Very low	47 Å²	47	92.8 Å²	92.8	25%	0.246	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-23.9	179.1	-94.1	152.8	0	0	0	112.7	K94 L98 L122 A123	K94-L125 HydrophobicContact CB-CD2 3.74Å; K94-L125 HydrophobicContact CD-CD2 3.73Å; K94-L125 HydrophobicContact CG-CD2 4.37Å; L98-L125 HydrophobicContact CD2-CD1 4.35Å; L122-L125 HydrophobicContact CD2-CD1 3.84Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 3.15Å; A123-L125 VanDerWaalsContact C-N 3.27Å; A123-L125 PolarHBondContact O-N 3.37Å
126	L	43.2	Very low	44	Very low	87 Å²	87	90.5 Å²	90.5	46%	0.455	48%	0.48	S	S	.	.			trans	-122.2	74	-173.7	-62.6	168.5	0	0	0	109.1	A123 F124 T128 L132	A123-L126 PolarHBondContact O-N 3.45Å; F124-L126 VanDerWaalsContact C-N 3.34Å; L126-T128 PolarHBondContact O-N 3.11Å; L126-L132 HydrophobicContact CD1-CD2 4.25Å; L126-L132 HydrophobicContact CD2-CD2 4.02Å; L126-L132 HydrophobicContact CD2-CG 4.3Å
127	K	46.4	Very low	44.5	Very low	120 Å²	120	88.3 Å²	88.3	52%	0.522	47%	0.472	S	S	.	.			trans	-77.6	-19.4	-165.7	-85.5	-172	175.5	-174.1	0	114.3	F124 E131	F124-K127 VanDerWaalsContact CD2-CE 3.49Å; F124-K127 VanDerWaalsContact CZ-CE 3.41Å; F124-K127 WeakPolarHBondContact O-CG 3.5Å; K127-E131 PolarHBondContact N-OE2 3.42Å
128	T	46.9	Very low	44.6	Very low	53 Å²	53	84.4 Å²	84.4	33%	0.325	46%	0.46	S	S	.	.			trans	-140.7	144.3	-177.9	61.5	0	0	0	0	113.3	L126 E130 E131 L132	L126-T128 PolarHBondContact O-N 3.11Å; T128-E130 PolarHBondContact O-N 3.26Å; T128-E131 PolarHBondContact O-N 2.88Å; T128-E131 VanDerWaalsContact O-N 3.13Å; T128-E131 VanDerWaalsContact OG1-CG 3.27Å; T128-E131 WeakPolarHBondContact OG1-CG 3.4Å; T128-E131 PolarHBondContact OG1-N 2.99Å; T128-L132 PolarHBondContact O-N 3.48Å
129	P	43.4	Very low	44.6	Very low	87 Å²	87	81.4 Å²	81.4	57%	0.565	44%	0.444	S	S	*	.	H	α-helix	trans	-54	-34.2	170.1	-24.7	34.1	0	0	0	112.7	L132 R133	P129-L132 PolarHBondContact O-N 3.31Å; P129-R133 VanDerWaalsContact O-CB 3.31Å; P129-R133 WeakPolarHBondContact O-CB 3.43Å; P129-R133 PolarHBondContact O-N 3.37Å
130	E	50.9	Low	44.7	Very low	113 Å²	113	82.7 Å²	82.7	53%	0.528	44%	0.444	S	S	.	.	H	α-helix	trans	-62.7	-41.9	174.9	-81	69.8	-152.1	0	0	113.3	T128 R133 T134	T128-E130 PolarHBondContact O-N 3.26Å; E130-R133 PolarHBondContact O-N 3.24Å; E130-T134 WeakPolarHBondContact O-CB 3.24Å; E130-T134 PolarHBondContact O-N 2.94Å; E130-T134 PolarHBondContact O-OG1 3.39Å
131	E	48	Very low	45.3	Very low	84 Å²	84	81.2 Å²	81.2	39%	0.393	44%	0.439	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175.2	-79	172.8	169.4	0	0	110.7	K127 T128 T134 I135	K127-E131 PolarHBondContact N-OE2 3.42Å; T128-E131 PolarHBondContact O-N 2.88Å; T128-E131 VanDerWaalsContact O-N 3.13Å; T128-E131 VanDerWaalsContact OG1-CG 3.27Å; T128-E131 WeakPolarHBondContact OG1-CG 3.4Å; T128-E131 PolarHBondContact OG1-N 2.99Å; E131-T134 PolarHBondContact O-N 3.32Å; E131-I135 WeakPolarHBondContact O-CG1 3.23Å; E131-I135 PolarHBondContact O-N 2.89Å
132	L	46	Very low	45.3	Very low	70 Å²	70	86.4 Å²	86.4	37%	0.366	46%	0.458	S	S	.	.	H	α-helix	trans	-60.3	-46.7	174.6	-90.4	169	0	0	0	111.5	L126 T128 P129 T134 I135 E136	L126-L132 HydrophobicContact CD1-CD2 4.25Å; L126-L132 HydrophobicContact CD2-CD2 4.02Å; L126-L132 HydrophobicContact CD2-CG 4.3Å; T128-L132 PolarHBondContact O-N 3.48Å; P129-L132 PolarHBondContact O-N 3.31Å; L132-T134 VanDerWaalsContact C-N 3.31Å; L132-T134 PolarHBondContact O-N 2.97Å; L132-I135 CarbonylContact O-C 3.49Å; L132-I135 WeakPolarHBondContact O-CB 3.04Å; L132-I135 PolarHBondContact O-N 3.04Å; L132-E136 WeakPolarHBondContact O-CB 3.31Å; L132-E136 WeakPolarHBondContact O-CG 3.49Å; L132-E136 PolarHBondContact O-N 3.2Å
133	R	48.4	Very low	45.8	Very low	150 Å²	150	91.2 Å²	91.2	57%	0.566	48%	0.476	S	S	*	.	H	α-helix	trans	-62.6	-40.6	179.4	-159.1	-178.1	-70	162	-0.9	111	P129 E130 I135 E136 T137	P129-R133 VanDerWaalsContact O-CB 3.31Å; P129-R133 WeakPolarHBondContact O-CB 3.43Å; P129-R133 PolarHBondContact O-N 3.37Å; E130-R133 PolarHBondContact O-N 3.24Å; R133-I135 VanDerWaalsContact C-N 3.34Å; R133-I135 PolarHBondContact O-N 2.73Å; R133-E136 PolarHBondContact O-N 2.91Å; R133-T137 WeakPolarHBondContact O-CB 3.45Å; R133-T137 PolarHBondContact O-N 3.45Å; R133-T137 PolarHBondContact O-OG1 3.17Å
134	T	51.4	Low	46.1	Very low	98 Å²	98	88.7 Å²	88.7	60%	0.601	45%	0.452	S	S	*	.	H	α-helix	trans	-63.2	-41.3	176.3	-54.6	0	0	0	0	111.6	E130 E131 L132 A138	E130-T134 WeakPolarHBondContact O-CB 3.24Å; E130-T134 PolarHBondContact O-N 2.94Å; E130-T134 PolarHBondContact O-OG1 3.39Å; E131-T134 PolarHBondContact O-N 3.32Å; L132-T134 VanDerWaalsContact C-N 3.31Å; L132-T134 PolarHBondContact O-N 2.97Å; T134-A138 WeakPolarHBondContact O-CB 3.48Å; T134-A138 PolarHBondContact O-N 3.43Å
135	I	43.5	Very low	46.4	Very low	73 Å²	73	88.1 Å²	88.1	37%	0.374	45%	0.446	S	S	.	.	H	α-helix	trans	-63.5	-53.7	172.7	-67.2	166.1	0	0	0	108.8	E131 L132 R133 T137 A138 L139	E131-I135 WeakPolarHBondContact O-CG1 3.23Å; E131-I135 PolarHBondContact O-N 2.89Å; L132-I135 CarbonylContact O-C 3.49Å; L132-I135 WeakPolarHBondContact O-CB 3.04Å; L132-I135 PolarHBondContact O-N 3.04Å; R133-I135 VanDerWaalsContact C-N 3.34Å; R133-I135 PolarHBondContact O-N 2.73Å; I135-T137 VanDerWaalsContact C-N 3.34Å; I135-T137 PolarHBondContact O-N 2.91Å; I135-A138 CarbonylContact O-C 3.42Å; I135-A138 WeakPolarHBondContact O-CA 3.04Å; I135-A138 WeakPolarHBondContact O-CB 3.47Å; I135-A138 PolarHBondContact O-N 2.94Å; I135-L139 HydrophobicContact CG2-CD1 3.73Å; I135-L139 HydrophobicContact CG2-CD2 4.41Å; I135-L139 HydrophobicContact CG2-CG 3.83Å; I135-L139 WeakPolarHBondContact O-CB 3.21Å; I135-L139 WeakPolarHBondContact O-CG 3.23Å; I135-L139 PolarHBondContact O-N 3.38Å
136	E	44.5	Very low	46.6	Very low	102 Å²	102	91.2 Å²	91.2	48%	0.477	46%	0.455	S	S	.	.	H	α-helix	trans	-52.7	-45.8	179.1	-78	-178.7	151.6	0	0	113.3	L132 R133 L139 E140	L132-E136 WeakPolarHBondContact O-CB 3.31Å; L132-E136 WeakPolarHBondContact O-CG 3.49Å; L132-E136 PolarHBondContact O-N 3.2Å; R133-E136 PolarHBondContact O-N 2.91Å; E136-L139 CarbonylContact O-C 3.57Å; E136-L139 WeakPolarHBondContact O-CA 3.29Å; E136-L139 PolarHBondContact O-N 2.84Å; E136-E140 PolarHBondContact O-N 2.9Å
137	T	56.4	Low	46.8	Very low	87 Å²	87	90.7 Å²	90.7	53%	0.534	45%	0.451	S	S	.	.	H	α-helix	trans	-64.5	-40.2	175.5	-49	0	0	0	0	110.9	R133 I135 L139 E140	R133-T137 WeakPolarHBondContact O-CB 3.45Å; R133-T137 PolarHBondContact O-N 3.45Å; R133-T137 PolarHBondContact O-OG1 3.17Å; I135-T137 VanDerWaalsContact C-N 3.34Å; I135-T137 PolarHBondContact O-N 2.91Å; T137-L139 PolarHBondContact O-N 2.98Å; T137-E140 WeakPolarHBondContact O-CB 3.38Å; T137-E140 PolarHBondContact O-N 2.75Å
138	A	48.8	Very low	46.6	Very low	56 Å²	56	88.8 Å²	88.8	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-65.3	-28.1	171.8	0	0	0	0	0	112.3	R29 T134 I135	R29-A138 PolarHBondContact NH1-O 2.95Å; T134-A138 WeakPolarHBondContact O-CB 3.48Å; T134-A138 PolarHBondContact O-N 3.43Å; I135-A138 CarbonylContact O-C 3.42Å; I135-A138 WeakPolarHBondContact O-CA 3.04Å; I135-A138 WeakPolarHBondContact O-CB 3.47Å; I135-A138 PolarHBondContact O-N 2.94Å
139	L	42.8	Very low	46.5	Very low	21 Å²	21	86.9 Å²	86.9	11%	0.11	43%	0.431	C	S	.	.	H	α-helix	trans	-90.9	-6.8	-179.5	-61.2	-164.1	0	0	0	114.1	I135 E136 T137 G141 F144 F148	I135-L139 HydrophobicContact CG2-CD1 3.73Å; I135-L139 HydrophobicContact CG2-CD2 4.41Å; I135-L139 HydrophobicContact CG2-CG 3.83Å; I135-L139 WeakPolarHBondContact O-CB 3.21Å; I135-L139 WeakPolarHBondContact O-CG 3.23Å; I135-L139 PolarHBondContact O-N 3.38Å; E136-L139 CarbonylContact O-C 3.57Å; E136-L139 WeakPolarHBondContact O-CA 3.29Å; E136-L139 PolarHBondContact O-N 2.84Å; T137-L139 PolarHBondContact O-N 2.98Å; L139-G141 CarbonylContact O-C 3.37Å; L139-G141 PolarHBondContact O-N 3.31Å; L139-G141 VanDerWaalsContact O-O 3.07Å; L139-F144 HydrophobicContact CB-CD1 3.78Å; L139-F144 HydrophobicContact CB-CE1 4.3Å; L139-F144 HydrophobicContact CD1-CD1 3.63Å; L139-F144 HydrophobicContact CD1-CE1 3.38Å; L139-F144 HydrophobicContact CD2-CD1 3.24Å; L139-F144 HydrophobicContact CD2-CE1 3.02Å; L139-F144 HydrophobicContact CD2-CE2 4.41Å; L139-F144 HydrophobicContact CD2-CG 4.03Å; L139-F144 HydrophobicContact CD2-CZ 3.69Å; L139-F144 HydrophobicContact CG-CD1 3.63Å; L139-F144 HydrophobicContact CG-CE1 3.62Å; L139-F148 HydrophobicContact CD1-CB 4.43Å; L139-F148 HydrophobicContact CD1-CD1 4.04Å; L139-F148 HydrophobicContact CD1-CD2 4.36Å; L139-F148 HydrophobicContact CD1-CE1 4.4Å; L139-F148 HydrophobicContact CD1-CG 4.02Å
140	E	46.2	Very low	46.7	Very low	112 Å²	112	84.6 Å²	84.6	52%	0.523	42%	0.415	S	S	.	.			trans	-60.1	-11.3	-171.5	-161.3	143.8	-139.1	0	0	114.3	E136 T137 H142 R145	E136-E140 PolarHBondContact O-N 2.9Å; T137-E140 WeakPolarHBondContact O-CB 3.38Å; T137-E140 PolarHBondContact O-N 2.75Å; E140-H142 PolarHBondContact O-N 3.08Å; E140-R145 IonicContact OE1-NH2 3.47Å; E140-R145 PolarHBondContact OE1-NH2 3.38Å
141	G	51.7	Low	46.4	Very low	35 Å²	35	85 Å²	85	36%	0.361	41%	0.412	S	S	.	.	S	Bend	trans	-58.2	105	160	0	0	0	0	0	111.1	L139 K143 F144	L139-G141 CarbonylContact O-C 3.37Å; L139-G141 PolarHBondContact O-N 3.31Å; L139-G141 VanDerWaalsContact O-O 3.07Å; G141-K143 PolarHBondContact O-N 3.18Å; G141-F144 WeakPolarHBondContact O-CB 3.48Å; G141-F144 PolarHBondContact O-N 2.91Å
142	H	41.3	Very low	46	Very low	158 Å²	158	82.2 Å²	82.2	73%	0.731	40%	0.402	S	S	*	.	H	α-helix	trans	-41.5	-36	-173.5	-145.8	-85.7	0	0	0	115.5	E140 F144	E140-H142 PolarHBondContact O-N 3.08Å; H142-F144 VanDerWaalsContact C-N 3.31Å; H142-F144 PolarHBondContact O-N 3.41Å
143	K	48.3	Very low	45.8	Very low	174 Å²	174	80.7 Å²	80.7	76%	0.757	39%	0.392	S	S	*	.	H	α-helix	trans	-66	-30.6	177.9	-167.1	173.9	-177.2	177.2	0	113.2	G141 Q147	G141-K143 PolarHBondContact O-N 3.18Å; K143-Q147 PolarHBondContact O-N 2.91Å
144	F	44.5	Very low	45.6	Very low	15 Å²	15	80.4 Å²	80.4	7%	0.066	40%	0.397	C	S	.	.	H	α-helix	trans	-79.9	-40.6	-179.1	-166	-79.7	0	0	0	112	I22 L139 G141 H142 Y146 Q147 F148	I22-F144 HydrophobicContact CD1-CZ 3.79Å; I22-F144 HydrophobicContact CG1-CE2 3.9Å; I22-F144 HydrophobicContact CG1-CZ 3.61Å; I22-F144 HydrophobicContact CG2-CZ 4.5Å; L139-F144 HydrophobicContact CB-CD1 3.78Å; L139-F144 HydrophobicContact CB-CE1 4.3Å; L139-F144 HydrophobicContact CD1-CD1 3.63Å; L139-F144 HydrophobicContact CD1-CE1 3.38Å; L139-F144 HydrophobicContact CD2-CD1 3.24Å; L139-F144 HydrophobicContact CD2-CE1 3.02Å; L139-F144 HydrophobicContact CD2-CE2 4.41Å; L139-F144 HydrophobicContact CD2-CG 4.03Å; L139-F144 HydrophobicContact CD2-CZ 3.69Å; L139-F144 HydrophobicContact CG-CD1 3.63Å; L139-F144 HydrophobicContact CG-CE1 3.62Å; G141-F144 WeakPolarHBondContact O-CB 3.48Å; G141-F144 PolarHBondContact O-N 2.91Å; H142-F144 VanDerWaalsContact C-N 3.31Å; H142-F144 PolarHBondContact O-N 3.41Å; F144-Y146 PolarHBondContact O-N 3.47Å; F144-Q147 PolarHBondContact O-N 3.34Å; F144-F148 HydrophobicContact CD1-CB 3.79Å; F144-F148 HydrophobicContact CE1-CB 3.44Å; F144-F148 VanDerWaalsContact CE1-CB 3.44Å; F144-F148 AromaticContact CE1-CD2 3.78Å; F144-F148 HydrophobicContact CE1-CD2 3.78Å; F144-F148 AromaticContact CE1-CG 3.81Å; F144-F148 HydrophobicContact CE1-CG 3.81Å; F144-F148 HydrophobicContact CZ-CB 4.26Å; F144-F148 HydrophobicContact CZ-CD2 4.19Å; F144-F148 VanDerWaalsContact O-CB 3.3Å; F144-F148 WeakPolarHBondContact O-CB 3.5Å; F144-F148 PolarHBondContact O-N 2.87Å
145	R	44.4	Very low	45	Very low	108 Å²	108	80.1 Å²	80.1	41%	0.408	40%	0.395	S	S	.	.	H	α-helix	trans	-51.4	-46.2	174.5	-80	-172.3	175.7	170.4	4.9	111.1	E140 V149	E140-R145 IonicContact OE1-NH2 3.47Å; E140-R145 PolarHBondContact OE1-NH2 3.38Å; R145-V149 VanDerWaalsContact O-CB 3.26Å; R145-V149 WeakPolarHBondContact O-CB 3.19Å; R145-V149 WeakPolarHBondContact O-CG2 3.44Å; R145-V149 PolarHBondContact O-N 3.16Å
146	Y	41.7	Very low	44.7	Very low	112 Å²	112	80.2 Å²	80.2	44%	0.439	40%	0.399	S	S	.	.	H	α-helix	trans	-62.9	-49.6	178.6	-163.2	-89.4	0	0	0	112.8	F144 T150 Y179	F144-Y146 PolarHBondContact O-N 3.47Å; Y146-T150 WeakPolarHBondContact O-CB 3.31Å; Y146-T150 PolarHBondContact O-N 3.36Å; Y146-T150 PolarHBondContact O-OG1 3.4Å; Y146-Y179 AromaticContact CD2-CE2 3.96Å; Y146-Y179 HydrophobicContact CD2-CE2 3.96Å; Y146-Y179 AromaticContact CE2-CE2 3.57Å; Y146-Y179 HydrophobicContact CE2-CE2 3.57Å; Y146-Y179 AromaticContact CE2-CZ 3.92Å; Y146-Y179 AromaticContact CZ-CZ 3.99Å; Y146-Y179 PolarHBondContact O-OH 2.94Å
147	Q	47.1	Very low	44.4	Very low	77 Å²	77	76.8 Å²	76.8	36%	0.36	39%	0.386	S	S	.	.	H	α-helix	trans	-67.2	-41.3	-178.9	-86.4	-175.4	-13.4	0	0	113.1	K143 F144 R151	K143-Q147 PolarHBondContact O-N 2.91Å; F144-Q147 PolarHBondContact O-N 3.34Å; Q147-R151 WeakPolarHBondContact O-CB 3.3Å; Q147-R151 WeakPolarHBondContact O-CG 3.49Å; Q147-R151 PolarHBondContact O-N 2.87Å
148	F	42.8	Very low	44.1	Very low	79 Å²	79	81 Å²	81	35%	0.346	41%	0.406	S	S	.	.	H	α-helix	trans	-65.6	-50.9	179.1	-177.2	-99.5	0	0	0	110.5	I22 L139 F144 T150 R151 S152	I22-F148 HydrophobicContact CD1-CD2 4.49Å; L139-F148 HydrophobicContact CD1-CB 4.43Å; L139-F148 HydrophobicContact CD1-CD1 4.04Å; L139-F148 HydrophobicContact CD1-CD2 4.36Å; L139-F148 HydrophobicContact CD1-CE1 4.4Å; L139-F148 HydrophobicContact CD1-CG 4.02Å; F144-F148 HydrophobicContact CD1-CB 3.79Å; F144-F148 HydrophobicContact CE1-CB 3.44Å; F144-F148 VanDerWaalsContact CE1-CB 3.44Å; F144-F148 AromaticContact CE1-CD2 3.78Å; F144-F148 HydrophobicContact CE1-CD2 3.78Å; F144-F148 AromaticContact CE1-CG 3.81Å; F144-F148 HydrophobicContact CE1-CG 3.81Å; F144-F148 HydrophobicContact CZ-CB 4.26Å; F144-F148 HydrophobicContact CZ-CD2 4.19Å; F144-F148 VanDerWaalsContact O-CB 3.3Å; F144-F148 WeakPolarHBondContact O-CB 3.5Å; F144-F148 PolarHBondContact O-N 2.87Å; F148-T150 VanDerWaalsContact C-N 3.3Å; F148-T150 PolarHBondContact O-N 3.21Å; F148-R151 PolarHBondContact O-N 3.47Å; F148-R151 VanDerWaalsContact O-N 3.14Å; F148-S152 WeakPolarHBondContact O-CB 3.45Å; F148-S152 PolarHBondContact O-N 3.28Å; F148-S152 PolarHBondContact O-OG 3.04Å
149	V	44.5	Very low	44.1	Very low	14 Å²	14	82.3 Å²	82.3	9%	0.085	40%	0.404	C	S	.	.	H	α-helix	trans	-59.4	-43.6	177.8	173.2	0	0	0	0	110.4	R145 R151 S152 F153 V170 L171	R145-V149 VanDerWaalsContact O-CB 3.26Å; R145-V149 WeakPolarHBondContact O-CB 3.19Å; R145-V149 WeakPolarHBondContact O-CG2 3.44Å; R145-V149 PolarHBondContact O-N 3.16Å; V149-R151 PolarHBondContact O-N 2.96Å; V149-S152 PolarHBondContact O-N 3.46Å; V149-F153 VanDerWaalsContact O-CB 3.3Å; V149-F153 WeakPolarHBondContact O-CB 3.48Å; V149-F153 PolarHBondContact O-N 2.88Å; V149-V170 HydrophobicContact CG2-CG1 4.46Å; V149-L171 HydrophobicContact CG1-CD1 4.43Å; V149-L171 HydrophobicContact CG1-CD2 4.41Å; V149-L171 HydrophobicContact CG2-CD2 4.27Å
150	T	46.8	Very low	44.4	Very low	38 Å²	38	90.5 Å²	90.5	23%	0.233	43%	0.434	C	S	.	.	H	α-helix	trans	-55.7	-49	175.4	-52.6	0	0	0	0	111.8	Y146 F148 F153 E154 Y179	Y146-T150 WeakPolarHBondContact O-CB 3.31Å; Y146-T150 PolarHBondContact O-N 3.36Å; Y146-T150 PolarHBondContact O-OG1 3.4Å; F148-T150 VanDerWaalsContact C-N 3.3Å; F148-T150 PolarHBondContact O-N 3.21Å; T150-F153 WeakPolarHBondContact O-CA 3.33Å; T150-F153 WeakPolarHBondContact O-CB 3.31Å; T150-F153 PolarHBondContact O-N 3.25Å; T150-F153 VanDerWaalsContact O-N 3.15Å; T150-E154 PolarHBondContact O-N 3.18Å; T150-Y179 PolarHBondContact OG1-OH 3.13Å
151	R	45	Very low	44.7	Very low	123 Å²	123	93.6 Å²	93.6	46%	0.464	45%	0.446	S	S	.	.	H	α-helix	trans	-72.7	-38.4	-177	-75.5	-173.6	175.9	-166.1	-2	112.8	Q147 F148 V149 F153 E154 V155	Q147-R151 WeakPolarHBondContact O-CB 3.3Å; Q147-R151 WeakPolarHBondContact O-CG 3.49Å; Q147-R151 PolarHBondContact O-N 2.87Å; F148-R151 PolarHBondContact O-N 3.47Å; F148-R151 VanDerWaalsContact O-N 3.14Å; V149-R151 PolarHBondContact O-N 2.96Å; R151-F153 PolarHBondContact O-N 2.83Å; R151-E154 PolarHBondContact O-N 3.37Å; R151-V155 VanDerWaalsContact O-CG2 3.29Å; R151-V155 WeakPolarHBondContact O-CG2 3.37Å; R151-V155 PolarHBondContact O-N 2.64Å
152	S	40.2	Very low	44.7	Very low	25 Å²	25	95.1 Å²	95.1	18%	0.175	45%	0.451	C	S	.	.	H	α-helix	trans	-58.7	-34.5	169.6	-58.4	0	0	0	0	110.5	F148 V149 V155 V156	F148-S152 WeakPolarHBondContact O-CB 3.45Å; F148-S152 PolarHBondContact O-N 3.28Å; F148-S152 PolarHBondContact O-OG 3.04Å; V149-S152 PolarHBondContact O-N 3.46Å; S152-V155 PolarHBondContact O-N 3.47Å; S152-V156 WeakPolarHBondContact O-CB 3.4Å; S152-V156 WeakPolarHBondContact O-CG2 3.38Å; S152-V156 PolarHBondContact O-N 3.4Å; S152-V156 VanDerWaalsContact O-N 3.13Å
153	F	40.7	Very low	44.9	Very low	37 Å²	37	89 Å²	89	16%	0.162	42%	0.424	C	S	.	.	H	α-helix	trans	-66.7	-46.8	176.2	-129.6	-104.2	0	0	0	113.7	V149 T150 R151 V155 V156 C157 T163 Y166 L167	V149-F153 VanDerWaalsContact O-CB 3.3Å; V149-F153 WeakPolarHBondContact O-CB 3.48Å; V149-F153 PolarHBondContact O-N 2.88Å; T150-F153 WeakPolarHBondContact O-CA 3.33Å; T150-F153 WeakPolarHBondContact O-CB 3.31Å; T150-F153 PolarHBondContact O-N 3.25Å; T150-F153 VanDerWaalsContact O-N 3.15Å; R151-F153 PolarHBondContact O-N 2.83Å; F153-V155 PolarHBondContact O-N 2.63Å; F153-V156 PolarHBondContact O-N 2.7Å; F153-C157 PolarHBondContact O-N 3.48Å; F153-T163 HydrophobicContact CE1-CG2 3.59Å; F153-T163 HydrophobicContact CZ-CG2 3.35Å; F153-Y166 HydrophobicContact CE2-CD1 4.45Å; F153-L167 HydrophobicContact CD2-CD2 4.13Å; F153-L167 HydrophobicContact CE2-CD1 4.03Å; F153-L167 HydrophobicContact CE2-CD2 3.4Å; F153-L167 HydrophobicContact CE2-CG 3.51Å; F153-L167 HydrophobicContact CZ-CD1 3.63Å; F153-L167 HydrophobicContact CZ-CD2 3.88Å; F153-L167 HydrophobicContact CZ-CG 3.63Å
154	E	45.8	Very low	44.8	Very low	145 Å²	145	88 Å²	88	68%	0.678	42%	0.42	S	S	*	.	H	α-helix	trans	-59.3	-28.1	176.3	-73.1	172.1	168.7	0	0	112	T150 R151	T150-E154 PolarHBondContact O-N 3.18Å; R151-E154 PolarHBondContact O-N 3.37Å
155	V	37.8	Very low	44.9	Very low	91 Å²	91	90.4 Å²	90.4	55%	0.552	44%	0.443	S	S	*	.	H	α-helix	trans	-86.5	-33	-178.1	174	0	0	0	0	113	R151 S152 F153	R151-V155 VanDerWaalsContact O-CG2 3.29Å; R151-V155 WeakPolarHBondContact O-CG2 3.37Å; R151-V155 PolarHBondContact O-N 2.64Å; S152-V155 PolarHBondContact O-N 3.47Å; F153-V155 PolarHBondContact O-N 2.63Å
156	V	37.4	Very low	45	Very low	75 Å²	75	89.9 Å²	89.9	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-102.4	-29.1	-164	179.5	0	0	0	0	114.4	S152 F153	S152-V156 WeakPolarHBondContact O-CB 3.4Å; S152-V156 WeakPolarHBondContact O-CG2 3.38Å; S152-V156 PolarHBondContact O-N 3.4Å; S152-V156 VanDerWaalsContact O-N 3.13Å; F153-V156 PolarHBondContact O-N 2.7Å
157	C	37.8	Very low	45.1	Very low	30 Å²	30	84.9 Å²	84.9	20%	0.203	42%	0.423	C	S	.	.			trans	-132.3	101.2	-163.4	-67.3	0	0	0	0	115	F153 T163	F153-C157 PolarHBondContact O-N 3.48Å; C157-T163 VanDerWaalsContact CB-OG1 3.31Å; C157-T163 WeakPolarHBondContact CB-OG1 3.49Å
158	D	50.3	Low	45.2	Very low	177 Å²	177	84.6 Å²	84.6	95%	0.947	43%	0.434	S	S	*	.	S	Bend	trans	-78.2	-24.8	155.5	-95.9	-33	0	0	0	111.9
159	D	49.6	Very low	45.4	Very low	82 Å²	82	90.3 Å²	90.3	44%	0.439	45%	0.454	S	S	.	.			trans	-93	133.1	-178.7	176.3	39.6	0	0	0	114.2	K161 S162 T163	D159-K161 PolarHBondContact O-N 3.07Å; D159-K161 PolarHBondContact OD1-N 3.47Å; D159-K161 VanDerWaalsContact OD2-CB 3.27Å; D159-K161 WeakPolarHBondContact OD2-CB 3.35Å; D159-K161 PolarHBondContact OD2-N 3.19Å; D159-S162 PolarHBondContact OD2-N 3.33Å; D159-S162 PolarHBondContact OD2-OG 3.14Å; D159-T163 WeakPolarHBondContact O-CB 3.39Å; D159-T163 PolarHBondContact O-N 3.32Å; D159-T163 PolarHBondContact O-OG1 3.08Å
160	R	47.9	Very low	45.3	Very low	194 Å²	194	92.4 Å²	92.4	73%	0.732	47%	0.467	S	S	*	.	H	α-helix	trans	-68.5	-27.7	-179.9	-167.1	179.8	-171.2	-174.8	2.8	113.1	T163 K164	R160-T163 WeakPolarHBondContact O-CB 3.32Å; R160-K164 PolarHBondContact O-N 3.36Å
161	K	54.3	Low	45.3	Very low	176 Å²	176	91.7 Å²	91.7	77%	0.765	46%	0.462	S	S	*	.	H	α-helix	trans	-76.5	-48.5	-178.7	-121.8	178	-177.9	179.6	0	111.2	D159 T163 K164 A165	D159-K161 PolarHBondContact O-N 3.07Å; D159-K161 PolarHBondContact OD1-N 3.47Å; D159-K161 VanDerWaalsContact OD2-CB 3.27Å; D159-K161 WeakPolarHBondContact OD2-CB 3.35Å; D159-K161 PolarHBondContact OD2-N 3.19Å; K161-T163 VanDerWaalsContact C-N 3.31Å; K161-T163 PolarHBondContact O-N 3.44Å; K161-K164 PolarHBondContact O-N 2.92Å; K161-A165 PolarHBondContact O-N 2.95Å
162	S	50.5	Low	45.7	Very low	68 Å²	68	90.3 Å²	90.3	48%	0.476	47%	0.467	S	S	.	.	H	α-helix	trans	-60.9	-40.6	175.3	-60.6	0	0	0	0	112.2	D159 K164 A165 Y166	D159-S162 PolarHBondContact OD2-N 3.33Å; D159-S162 PolarHBondContact OD2-OG 3.14Å; S162-K164 PolarHBondContact O-N 2.87Å; S162-A165 PolarHBondContact O-N 3.39Å; S162-Y166 WeakPolarHBondContact O-CB 3.28Å; S162-Y166 PolarHBondContact O-N 3.13Å
163	T	45.7	Very low	45.9	Very low	28 Å²	28	97 Å²	97	17%	0.172	50%	0.496	C	S	.	.	H	α-helix	trans	-46.2	-54	169.4	-73.6	0	0	0	0	112.5	F153 C157 D159 R160 K161 L167	F153-T163 HydrophobicContact CE1-CG2 3.59Å; F153-T163 HydrophobicContact CZ-CG2 3.35Å; C157-T163 VanDerWaalsContact CB-OG1 3.31Å; C157-T163 WeakPolarHBondContact CB-OG1 3.49Å; D159-T163 WeakPolarHBondContact O-CB 3.39Å; D159-T163 PolarHBondContact O-N 3.32Å; D159-T163 PolarHBondContact O-OG1 3.08Å; R160-T163 WeakPolarHBondContact O-CB 3.32Å; K161-T163 VanDerWaalsContact C-N 3.31Å; K161-T163 PolarHBondContact O-N 3.44Å; T163-L167 HydrophobicContact CG2-CD1 4.11Å; T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 VanDerWaalsContact O-CG 3.25Å; T163-L167 WeakPolarHBondContact O-CG 3.26Å; T163-L167 PolarHBondContact O-N 3Å
164	K	45.4	Very low	46.1	Very low	153 Å²	153	101.3 Å²	101.3	67%	0.665	52%	0.516	S	S	*	.	H	α-helix	trans	-68.5	-41.6	-174.8	-170.8	-178.9	179.5	-175.8	0	111.9	R160 K161 S162 A168	R160-K164 PolarHBondContact O-N 3.36Å; K161-K164 PolarHBondContact O-N 2.92Å; S162-K164 PolarHBondContact O-N 2.87Å; K164-A168 WeakPolarHBondContact O-CB 3.3Å; K164-A168 PolarHBondContact O-N 3.41Å
165	A	47.8	Very low	46.2	Very low	67 Å²	67	97.2 Å²	97.2	55%	0.554	50%	0.499	S	S	*	.	H	α-helix	trans	-64.5	-43.4	178.5	0	0	0	0	0	111.5	K161 S162 A168 Y169	K161-A165 PolarHBondContact O-N 2.95Å; S162-A165 PolarHBondContact O-N 3.39Å; A165-A168 PolarHBondContact O-N 3.15Å; A165-Y169 PolarHBondContact O-N 2.97Å
166	Y	46.2	Very low	46.6	Very low	96 Å²	96	93.5 Å²	93.5	38%	0.376	48%	0.478	S	S	.	.	H	α-helix	trans	-66.9	-42.9	177.7	-171.3	-95	0	0	0	112.3	F153 S162 A168 Y169 V170	F153-Y166 HydrophobicContact CE2-CD1 4.45Å; S162-Y166 WeakPolarHBondContact O-CB 3.28Å; S162-Y166 PolarHBondContact O-N 3.13Å; Y166-A168 VanDerWaalsContact C-N 3.32Å; Y166-A168 PolarHBondContact O-N 3.44Å; Y166-Y169 WeakPolarHBondContact O-CB 3.42Å; Y166-Y169 PolarHBondContact O-N 3.48Å; Y166-Y169 VanDerWaalsContact O-N 3.11Å; Y166-V170 HydrophobicContact CD1-CG2 4Å; Y166-V170 HydrophobicContact CD2-CG2 4.33Å; Y166-V170 HydrophobicContact CE1-CB 4.26Å; Y166-V170 HydrophobicContact CE1-CG2 3.54Å; Y166-V170 HydrophobicContact CE2-CG2 3.91Å; Y166-V170 HydrophobicContact CG-CG2 4.38Å; Y166-V170 PolarHBondContact O-N 2.88Å
167	L	44	Very low	47	Very low	7 Å²	7	94.7 Å²	94.7	4%	0.037	48%	0.48	C	S	.	.	H	α-helix	trans	-61.8	-40.7	175.3	-71.5	171.7	0	0	0	111.7	F153 T163 Y169 L171 A176	F153-L167 HydrophobicContact CD2-CD2 4.13Å; F153-L167 HydrophobicContact CE2-CD1 4.03Å; F153-L167 HydrophobicContact CE2-CD2 3.4Å; F153-L167 HydrophobicContact CE2-CG 3.51Å; F153-L167 HydrophobicContact CZ-CD1 3.63Å; F153-L167 HydrophobicContact CZ-CD2 3.88Å; F153-L167 HydrophobicContact CZ-CG 3.63Å; T163-L167 HydrophobicContact CG2-CD1 4.11Å; T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 VanDerWaalsContact O-CG 3.25Å; T163-L167 WeakPolarHBondContact O-CG 3.26Å; T163-L167 PolarHBondContact O-N 3Å; L167-Y169 PolarHBondContact O-N 2.79Å; L167-L171 HydrophobicContact CB-CD1 4.46Å; L167-L171 HydrophobicContact CD2-CD1 3.38Å; L167-L171 HydrophobicContact CD2-CG 4.3Å; L167-L171 HydrophobicContact CG-CD1 4.48Å; L167-L171 VanDerWaalsContact O-CB 3.28Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 PolarHBondContact O-N 3.33Å; L167-A176 HydrophobicContact CB-CB 4.25Å
168	A	49.9	Very low	47.3	Very low	72 Å²	72	97.1 Å²	97.1	60%	0.595	49%	0.494	S	S	*	.	H	α-helix	trans	-65.3	-28.4	175.7	0	0	0	0	0	112.7	K164 A165 Y166	K164-A168 WeakPolarHBondContact O-CB 3.3Å; K164-A168 PolarHBondContact O-N 3.41Å; A165-A168 PolarHBondContact O-N 3.15Å; Y166-A168 VanDerWaalsContact C-N 3.32Å; Y166-A168 PolarHBondContact O-N 3.44Å
169	Y	46.3	Very low	46.9	Very low	198 Å²	198	90.1 Å²	90.1	78%	0.776	46%	0.455	S	S	*	.	H	α-helix	trans	-79.4	-42.6	177.5	-177.3	-101.4	0	0	0	112.7	A165 Y166 L167	A165-Y169 PolarHBondContact O-N 2.97Å; Y166-Y169 WeakPolarHBondContact O-CB 3.42Å; Y166-Y169 PolarHBondContact O-N 3.48Å; Y166-Y169 VanDerWaalsContact O-N 3.11Å; L167-Y169 PolarHBondContact O-N 2.79Å
170	V	42.7	Very low	46.8	Very low	58 Å²	58	89.3 Å²	89.3	35%	0.352	45%	0.453	S	S	.	.	H	α-helix	trans	-91.1	-28.9	-172.6	176.4	0	0	0	0	113.3	V149 Y166	V149-V170 HydrophobicContact CG2-CG1 4.46Å; Y166-V170 HydrophobicContact CD1-CG2 4Å; Y166-V170 HydrophobicContact CD2-CG2 4.33Å; Y166-V170 HydrophobicContact CE1-CB 4.26Å; Y166-V170 HydrophobicContact CE1-CG2 3.54Å; Y166-V170 HydrophobicContact CE2-CG2 3.91Å; Y166-V170 HydrophobicContact CG-CG2 4.38Å; Y166-V170 PolarHBondContact O-N 2.88Å
171	L	45.8	Very low	46.4	Very low	24 Å²	24	81.4 Å²	81.4	13%	0.126	43%	0.425	C	S	.	.	S	Bend	trans	-111.6	143.2	-172.7	-58.2	177.3	0	0	0	111.4	V149 L167 L175 A176 Y179	V149-L171 HydrophobicContact CG1-CD1 4.43Å; V149-L171 HydrophobicContact CG1-CD2 4.41Å; V149-L171 HydrophobicContact CG2-CD2 4.27Å; L167-L171 HydrophobicContact CB-CD1 4.46Å; L167-L171 HydrophobicContact CD2-CD1 3.38Å; L167-L171 HydrophobicContact CD2-CG 4.3Å; L167-L171 HydrophobicContact CG-CD1 4.48Å; L167-L171 VanDerWaalsContact O-CB 3.28Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 PolarHBondContact O-N 3.33Å; L171-L175 HydrophobicContact CB-CB 3.89Å; L171-L175 HydrophobicContact CD1-CB 4.09Å; L171-L175 HydrophobicContact CD2-CB 4.27Å; L171-L175 HydrophobicContact CD2-CD1 4.23Å; L171-L175 HydrophobicContact CG-CB 4.32Å; L171-A176 HydrophobicContact CB-CB 4.34Å; L171-Y179 HydrophobicContact CD1-CD2 4.38Å
172	T	53.6	Low	45.9	Very low	94 Å²	94	77.4 Å²	77.4	58%	0.577	41%	0.409	S	S	*	.			trans	-55.4	145	161.3	33.4	0	0	0	0	109.9	E174 L175 A176	T172-E174 PolarHBondContact O-N 3.29Å; T172-L175 PolarHBondContact O-N 3.38Å; T172-A176 PolarHBondContact O-N 3.4Å
173	Q	45.3	Very low	45.7	Very low	166 Å²	166	76.1 Å²	76.1	78%	0.776	41%	0.406	S	S	*	.	H	α-helix	trans	-44.1	-40.5	-174.7	-107.9	176.9	-12.5	0	0	113.3	A176 I177	Q173-A176 PolarHBondContact O-N 3.04Å; Q173-I177 WeakPolarHBondContact O-CD1 3.4Å; Q173-I177 VanDerWaalsContact O-CG1 3.24Å; Q173-I177 WeakPolarHBondContact O-CG1 3.48Å; Q173-I177 PolarHBondContact O-N 3.47Å
174	E	43.7	Very low	45.3	Very low	127 Å²	127	77.5 Å²	77.5	59%	0.593	41%	0.412	S	S	*	.	H	α-helix	trans	-60.3	-44.5	178.8	-65.3	167.9	157.9	0	0	113.3	T172 T178	T172-E174 PolarHBondContact O-N 3.29Å; E174-T178 PolarHBondContact O-N 2.89Å; E174-T178 VanDerWaalsContact O-N 3.08Å; E174-T178 PolarHBondContact O-OG1 3.35Å
175	L	49	Very low	44.9	Very low	59 Å²	59	74.3 Å²	74.3	31%	0.309	40%	0.398	S	S	.	.	H	α-helix	trans	-72.8	-38.1	-180	-83.5	169.2	0	0	0	111.5	L171 T172 I177 T178 Y179	L171-L175 HydrophobicContact CB-CB 3.89Å; L171-L175 HydrophobicContact CD1-CB 4.09Å; L171-L175 HydrophobicContact CD2-CB 4.27Å; L171-L175 HydrophobicContact CD2-CD1 4.23Å; L171-L175 HydrophobicContact CG-CB 4.32Å; T172-L175 PolarHBondContact O-N 3.38Å; L175-I177 VanDerWaalsContact C-N 3.34Å; L175-I177 PolarHBondContact O-N 3.44Å; L175-T178 PolarHBondContact O-N 3.49Å; L175-Y179 PolarHBondContact O-N 2.89Å
176	A	45.7	Very low	44.7	Very low	13 Å²	13	75.7 Å²	75.7	11%	0.107	40%	0.404	C	S	.	.	H	α-helix	trans	-60.9	-44.2	175.2	0	0	0	0	0	111.2	L167 L171 T172 Q173 Y179 T180	L167-A176 HydrophobicContact CB-CB 4.25Å; L171-A176 HydrophobicContact CB-CB 4.34Å; T172-A176 PolarHBondContact O-N 3.4Å; Q173-A176 PolarHBondContact O-N 3.04Å; A176-Y179 PolarHBondContact O-N 3.27Å; A176-T180 PolarHBondContact O-N 2.79Å; A176-T180 PolarHBondContact O-OG1 3.47Å
177	I	44.7	Very low	44.5	Very low	100 Å²	100	80.3 Å²	80.3	51%	0.513	43%	0.426	S	S	.	.	H	α-helix	trans	-61.8	-47	176.2	-69.1	164.2	0	0	0	110.6	Q173 L175 Y179 T180 L181	Q173-I177 WeakPolarHBondContact O-CD1 3.4Å; Q173-I177 VanDerWaalsContact O-CG1 3.24Å; Q173-I177 WeakPolarHBondContact O-CG1 3.48Å; Q173-I177 PolarHBondContact O-N 3.47Å; L175-I177 VanDerWaalsContact C-N 3.34Å; L175-I177 PolarHBondContact O-N 3.44Å; I177-Y179 VanDerWaalsContact C-N 3.34Å; I177-Y179 PolarHBondContact O-N 3.4Å; I177-T180 PolarHBondContact O-N 2.89Å; I177-L181 HydrophobicContact CG2-CD1 3.71Å; I177-L181 HydrophobicContact CG2-CG 4.48Å; I177-L181 WeakPolarHBondContact O-CB 3.14Å; I177-L181 WeakPolarHBondContact O-CD1 3.09Å; I177-L181 WeakPolarHBondContact O-CG 3.44Å; I177-L181 PolarHBondContact O-N 2.73Å
178	T	46	Very low	44.3	Very low	80 Å²	80	85.5 Å²	85.5	49%	0.491	45%	0.453	S	S	.	.	H	α-helix	trans	-60.2	-41.7	-179.7	-50	0	0	0	0	112.1	E174 L175 L181 H182	E174-T178 PolarHBondContact O-N 2.89Å; E174-T178 VanDerWaalsContact O-N 3.08Å; E174-T178 PolarHBondContact O-OG1 3.35Å; L175-T178 PolarHBondContact O-N 3.49Å; T178-L181 WeakPolarHBondContact O-CB 3.35Å; T178-L181 PolarHBondContact O-N 3.36Å; T178-H182 PolarHBondContact O-N 2.96Å
179	Y	41.5	Very low	43.8	Very low	30 Å²	30	85.1 Å²	85.1	12%	0.118	46%	0.456	C	S	.	.	H	α-helix	trans	-66.9	-42.8	175.1	-106.8	-90.1	0	0	0	112.6	Y146 T150 L171 L175 A176 I177 L181 H182 G183	Y146-Y179 AromaticContact CD2-CE2 3.96Å; Y146-Y179 HydrophobicContact CD2-CE2 3.96Å; Y146-Y179 AromaticContact CE2-CE2 3.57Å; Y146-Y179 HydrophobicContact CE2-CE2 3.57Å; Y146-Y179 AromaticContact CE2-CZ 3.92Å; Y146-Y179 AromaticContact CZ-CZ 3.99Å; Y146-Y179 PolarHBondContact O-OH 2.94Å; T150-Y179 PolarHBondContact OG1-OH 3.13Å; L171-Y179 HydrophobicContact CD1-CD2 4.38Å; L175-Y179 PolarHBondContact O-N 2.89Å; A176-Y179 PolarHBondContact O-N 3.27Å; I177-Y179 VanDerWaalsContact C-N 3.34Å; I177-Y179 PolarHBondContact O-N 3.4Å; Y179-L181 PolarHBondContact O-N 2.86Å; Y179-H182 PolarHBondContact O-N 3.48Å; Y179-H182 VanDerWaalsContact O-N 3.15Å; Y179-G183 PolarHBondContact O-N 2.95Å
180	T	46	Very low	43.7	Very low	66 Å²	66	77.8 Å²	77.8	41%	0.405	43%	0.43	S	S	.	.	H	α-helix	trans	-59.9	-40.4	177.7	-42	0	0	0	0	109.9	A176 I177 I184	A176-T180 PolarHBondContact O-N 2.79Å; A176-T180 PolarHBondContact O-OG1 3.47Å; I177-T180 PolarHBondContact O-N 2.89Å; T180-I184 HydrophobicContact CG2-CD1 4.49Å; T180-I184 WeakPolarHBondContact O-CD1 3.38Å; T180-I184 WeakPolarHBondContact O-CG1 3.41Å; T180-I184 PolarHBondContact O-N 3.08Å
181	L	40.6	Very low	43.9	Very low	28 Å²	28	78.7 Å²	78.7	15%	0.147	44%	0.439	C	S	.	.	H	α-helix	trans	-66.1	-42.6	174.2	-75.4	160.2	0	0	0	112.9	I177 T178 Y179 G183 I184 K185 F195	I177-L181 HydrophobicContact CG2-CD1 3.71Å; I177-L181 HydrophobicContact CG2-CG 4.48Å; I177-L181 WeakPolarHBondContact O-CB 3.14Å; I177-L181 WeakPolarHBondContact O-CD1 3.09Å; I177-L181 WeakPolarHBondContact O-CG 3.44Å; I177-L181 PolarHBondContact O-N 2.73Å; T178-L181 WeakPolarHBondContact O-CB 3.35Å; T178-L181 PolarHBondContact O-N 3.36Å; Y179-L181 PolarHBondContact O-N 2.86Å; L181-G183 PolarHBondContact O-N 2.76Å; L181-I184 WeakPolarHBondContact O-CB 3.49Å; L181-I184 PolarHBondContact O-N 2.82Å; L181-I184 VanDerWaalsContact O-N 3.15Å; L181-K185 PolarHBondContact O-N 2.68Å; L181-F195 HydrophobicContact CD1-CE1 3.69Å; L181-F195 HydrophobicContact CD1-CZ 4.12Å; L181-F195 HydrophobicContact CD2-CD1 4.45Å; L181-F195 HydrophobicContact CD2-CE1 3.79Å; L181-F195 HydrophobicContact CG-CE1 4.37Å
182	H	43.6	Very low	43.9	Very low	92 Å²	92	84.3 Å²	84.3	43%	0.426	47%	0.469	S	S	.	.	H	α-helix	trans	-65	-39.4	178.8	-170.9	23.6	0	0	0	112.3	T178 Y179 I184 K185 S186	T178-H182 PolarHBondContact O-N 2.96Å; Y179-H182 PolarHBondContact O-N 3.48Å; Y179-H182 VanDerWaalsContact O-N 3.15Å; H182-I184 VanDerWaalsContact C-N 3.27Å; H182-I184 PolarHBondContact O-N 2.89Å; H182-K185 VanDerWaalsContact O-CB 3.31Å; H182-K185 WeakPolarHBondContact O-CB 3.25Å; H182-K185 PolarHBondContact O-N 2.95Å; H182-K185 VanDerWaalsContact O-N 3.16Å; H182-S186 PolarHBondContact O-N 3.32Å
183	G	46.3	Very low	43.5	Very low	40 Å²	40	80.7 Å²	80.7	41%	0.412	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-32.9	173.1	0	0	0	0	0	112.9	Y179 L181 S186 K187	Y179-G183 PolarHBondContact O-N 2.95Å; L181-G183 PolarHBondContact O-N 2.76Å; G183-S186 PolarHBondContact O-OG 2.89Å; G183-K187 PolarHBondContact O-N 3.42Å
184	I	37.1	Very low	43.7	Very low	57 Å²	57	81.2 Å²	81.2	29%	0.292	44%	0.44	S	S	.	.	H	α-helix	trans	-70.6	-37.1	174	-66.1	163.9	0	0	0	110.7	T180 L181 H182 S186 K187 L188	T180-I184 HydrophobicContact CG2-CD1 4.49Å; T180-I184 WeakPolarHBondContact O-CD1 3.38Å; T180-I184 WeakPolarHBondContact O-CG1 3.41Å; T180-I184 PolarHBondContact O-N 3.08Å; L181-I184 WeakPolarHBondContact O-CB 3.49Å; L181-I184 PolarHBondContact O-N 2.82Å; L181-I184 VanDerWaalsContact O-N 3.15Å; H182-I184 VanDerWaalsContact C-N 3.27Å; H182-I184 PolarHBondContact O-N 2.89Å; I184-S186 PolarHBondContact O-N 3.35Å; I184-K187 PolarHBondContact O-N 3.15Å; I184-L188 HydrophobicContact CG2-CD1 3.57Å; I184-L188 HydrophobicContact CG2-CG 4.32Å; I184-L188 PolarHBondContact O-N 3.39Å
185	K	36.4	Very low	43.7	Very low	86 Å²	86	75.9 Å²	75.9	37%	0.374	42%	0.415	S	S	.	.	H	α-helix	trans	-59.2	-44.1	178.6	-168.6	-178.4	-179.8	175.2	0	112.7	L181 H182 G189	L181-K185 PolarHBondContact O-N 2.68Å; H182-K185 VanDerWaalsContact O-CB 3.31Å; H182-K185 WeakPolarHBondContact O-CB 3.25Å; H182-K185 PolarHBondContact O-N 2.95Å; H182-K185 VanDerWaalsContact O-N 3.16Å; K185-G189 PolarHBondContact O-N 3.21Å
186	S	43.7	Very low	43.5	Very low	97 Å²	97	75.4 Å²	75.4	68%	0.678	41%	0.411	S	S	*	.	H	α-helix	trans	-73	-35.6	179.8	68	0	0	0	0	112.6	H182 G183 I184	H182-S186 PolarHBondContact O-N 3.32Å; G183-S186 PolarHBondContact O-OG 2.89Å; I184-S186 PolarHBondContact O-N 3.35Å
187	K	42.5	Very low	43.7	Very low	192 Å²	192	77.3 Å²	77.3	84%	0.835	42%	0.423	S	S	*	.	H	α-helix	trans	-82	-31.9	-176.2	-108.3	177.9	179.5	174.5	0	114.7	G183 I184	G183-K187 PolarHBondContact O-N 3.42Å; I184-K187 PolarHBondContact O-N 3.15Å
188	L	39	Very low	43.9	Very low	116 Å²	116	75 Å²	75	61%	0.607	41%	0.414	S	S	*	.	H	α-helix	trans	-98	-3.7	-178.8	-68.5	174.2	0	0	0	113.7	I184 I190	I184-L188 HydrophobicContact CG2-CD1 3.57Å; I184-L188 HydrophobicContact CG2-CG 4.32Å; I184-L188 PolarHBondContact O-N 3.39Å; L188-I190 HydrophobicContact CB-CD1 3.44Å; L188-I190 VanDerWaalsContact CB-CD1 3.44Å; L188-I190 HydrophobicContact CB-CG1 3.47Å; L188-I190 VanDerWaalsContact CB-CG1 3.47Å; L188-I190 HydrophobicContact CD1-CD1 3.77Å; L188-I190 HydrophobicContact CG-CD1 4.21Å; L188-I190 WeakPolarHBondContact O-CG1 3.41Å; L188-I190 PolarHBondContact O-N 3.45Å
189	G	41	Very low	43.8	Very low	64 Å²	64	73.1 Å²	73.1	66%	0.66	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	25.7	-179.8	0	0	0	0	0	113.5	K185 S191	K185-G189 PolarHBondContact O-N 3.21Å; G189-S191 PolarHBondContact O-N 2.93Å
190	I	43.6	Very low	44.2	Very low	44 Å²	44	76.3 Å²	76.3	23%	0.226	42%	0.416	C	S	.	.			trans	-98.1	79.6	-171.9	-40.2	173.6	0	0	0	109.2	L188 D192 Y193	L188-I190 HydrophobicContact CB-CD1 3.44Å; L188-I190 VanDerWaalsContact CB-CD1 3.44Å; L188-I190 HydrophobicContact CB-CG1 3.47Å; L188-I190 VanDerWaalsContact CB-CG1 3.47Å; L188-I190 HydrophobicContact CD1-CD1 3.77Å; L188-I190 HydrophobicContact CG-CD1 4.21Å; L188-I190 WeakPolarHBondContact O-CG1 3.41Å; L188-I190 PolarHBondContact O-N 3.45Å; I190-D192 VanDerWaalsContact C-N 3.28Å; I190-Y193 HydrophobicContact CB-CD2 4.23Å; I190-Y193 HydrophobicContact CD1-CD2 4.48Å; I190-Y193 HydrophobicContact CD1-CE2 4.25Å; I190-Y193 HydrophobicContact CG2-CD2 3.25Å; I190-Y193 HydrophobicContact CG2-CE2 3.68Å; I190-Y193 HydrophobicContact CG2-CG 4.19Å
191	S	46.7	Very low	44.8	Very low	78 Å²	78	77.2 Å²	77.2	55%	0.545	42%	0.419	S	S	.	.			trans	-68.8	-26.3	172.8	50.8	0	0	0	0	113	G189	G189-S191 PolarHBondContact O-N 2.93Å
192	D	46.4	Very low	45	Very low	142 Å²	142	77.6 Å²	77.6	76%	0.759	42%	0.422	S	S	*	.			trans	-100.6	13.4	-158.4	-64.7	-6.4	0	0	0	114.7	I190 R194	I190-D192 VanDerWaalsContact C-N 3.28Å; D192-R194 PolarHBondContact O-N 2.86Å
193	Y	44.7	Very low	45	Very low	17 Å²	17	77.3 Å²	77.3	7%	0.067	42%	0.423	C	S	.	.			trans	-73.2	118	176.1	-100	-56.9	0	0	0	110.9	I190 F195 H196 F228 D231 K235	I190-Y193 HydrophobicContact CB-CD2 4.23Å; I190-Y193 HydrophobicContact CD1-CD2 4.48Å; I190-Y193 HydrophobicContact CD1-CE2 4.25Å; I190-Y193 HydrophobicContact CG2-CD2 3.25Å; I190-Y193 HydrophobicContact CG2-CE2 3.68Å; I190-Y193 HydrophobicContact CG2-CG 4.19Å; Y193-F195 PolarHBondContact O-N 3.31Å; Y193-H196 PolarHBondContact O-N 3.01Å; Y193-F228 HydrophobicContact CD2-CE2 4.21Å; Y193-F228 HydrophobicContact CE2-CE2 4.48Å; Y193-F228 HydrophobicContact CG-CD2 4.38Å; Y193-F228 HydrophobicContact CG-CE2 4.46Å; Y193-D231 HydrophobicContact CD1-CB 4.18Å; Y193-D231 HydrophobicContact CE1-CB 3.24Å; Y193-D231 WeakPolarHBondContact CE1-OD2 3.32Å; Y193-D231 PolarHBondContact OH-O 3.08Å; Y193-K235 HydrophobicContact CE2-CD 4.43Å; Y193-K235 VanDerWaalsContact CE2-NZ 3.26Å; Y193-K235 WeakPolarHBondContact OH-CD 3.4Å; Y193-K235 WeakPolarHBondContact OH-CE 3.42Å; Y193-K235 WeakPolarHBondContact OH-CG 3.5Å; Y193-K235 PolarHBondContact OH-NZ 3.37Å; Y193-K235 VanDerWaalsContact OH-NZ 3.17Å
194	R	49.6	Very low	45.3	Very low	177 Å²	177	82.2 Å²	82.2	67%	0.668	43%	0.429	S	S	*	.	H	α-helix	trans	-42.6	-31.8	171.4	-155	179.2	-138.8	179.3	3.5	112.5	D192 H196 S197 T198	D192-R194 PolarHBondContact O-N 2.86Å; R194-H196 PolarHBondContact O-N 3.13Å; R194-S197 PolarHBondContact O-N 3.39Å; R194-S197 PolarHBondContact O-OG 3.11Å; R194-T198 WeakPolarHBondContact O-CB 3.32Å; R194-T198 PolarHBondContact O-N 2.9Å; R194-T198 PolarHBondContact O-OG1 3.09Å
195	F	42.9	Very low	45.9	Very low	16 Å²	16	82.5 Å²	82.5	7%	0.07	44%	0.436	C	S	.	.	H	α-helix	trans	-50.7	-48.1	172	-175.9	-107.2	0	0	0	114.4	L181 Y193 I199 A224 F228	L181-F195 HydrophobicContact CD1-CE1 3.69Å; L181-F195 HydrophobicContact CD1-CZ 4.12Å; L181-F195 HydrophobicContact CD2-CD1 4.45Å; L181-F195 HydrophobicContact CD2-CE1 3.79Å; L181-F195 HydrophobicContact CG-CE1 4.37Å; Y193-F195 PolarHBondContact O-N 3.31Å; F195-I199 HydrophobicContact CD1-CD1 4.28Å; F195-I199 HydrophobicContact CD2-CD1 4.27Å; F195-I199 HydrophobicContact CE1-CD1 3.64Å; F195-I199 HydrophobicContact CE2-CD1 3.65Å; F195-I199 HydrophobicContact CE2-CG1 4.45Å; F195-I199 HydrophobicContact CZ-CD1 3.31Å; F195-I199 HydrophobicContact CZ-CG1 4.49Å; F195-I199 PolarHBondContact O-N 2.96Å; F195-I199 VanDerWaalsContact O-N 3.1Å; F195-A224 HydrophobicContact CD2-CB 3.5Å; F195-A224 WeakPolarHBondContact CD2-O 3.44Å; F195-A224 HydrophobicContact CE2-CB 3.46Å; F195-A224 VanDerWaalsContact CE2-CB 3.46Å; F195-A224 WeakPolarHBondContact CE2-O 3.26Å; F195-F228 HydrophobicContact CB-CB 4.1Å; F195-F228 HydrophobicContact CB-CD2 4.1Å; F195-F228 HydrophobicContact CD1-CD2 4.27Å; F195-F228 HydrophobicContact CD2-CB 3.63Å; F195-F228 HydrophobicContact CD2-CG 4.42Å; F195-F228 HydrophobicContact CE2-CB 4.14Å; F195-F228 HydrophobicContact CG-CB 3.85Å; F195-F228 HydrophobicContact CG-CD2 4.12Å; F195-F228 HydrophobicContact CG-CG 4.26Å
196	H	44.6	Very low	46	Very low	49 Å²	49	79.9 Å²	79.9	23%	0.227	43%	0.425	C	S	.	.	H	α-helix	trans	-68.4	-43.3	-179.1	-87.9	-53.5	0	0	0	111.8	Y193 R194 Q200	Y193-H196 PolarHBondContact O-N 3.01Å; R194-H196 PolarHBondContact O-N 3.13Å; H196-Q200 WeakPolarHBondContact O-CB 3.32Å; H196-Q200 PolarHBondContact O-N 3.44Å
197	S	51	Low	45.9	Very low	53 Å²	53	82.2 Å²	82.2	37%	0.371	43%	0.429	S	S	.	.	H	α-helix	trans	-65.6	-42.3	178.1	60	0	0	0	0	110.9	R194 Q200 D201	R194-S197 PolarHBondContact O-N 3.39Å; R194-S197 PolarHBondContact O-OG 3.11Å; S197-Q200 PolarHBondContact O-N 3.08Å; S197-D201 VanDerWaalsContact O-CB 3.27Å; S197-D201 WeakPolarHBondContact O-CB 3.3Å; S197-D201 PolarHBondContact O-N 2.79Å
198	T	47.8	Very low	46	Very low	50 Å²	50	83.9 Å²	83.9	31%	0.307	43%	0.43	S	S	.	.	H	α-helix	trans	-61.8	-47.8	178.9	-59.1	0	0	0	0	112.2	R194 Q200 D201 V202	R194-T198 WeakPolarHBondContact O-CB 3.32Å; R194-T198 PolarHBondContact O-N 2.9Å; R194-T198 PolarHBondContact O-OG1 3.09Å; T198-Q200 VanDerWaalsContact C-N 3.34Å; T198-Q200 PolarHBondContact O-N 3.1Å; T198-D201 PolarHBondContact O-N 3.15Å; T198-V202 WeakPolarHBondContact O-CB 2.89Å; T198-V202 VanDerWaalsContact O-CG2 3.22Å; T198-V202 WeakPolarHBondContact O-CG2 3.43Å; T198-V202 PolarHBondContact O-N 3.4Å
199	I	44.9	Very low	46.3	Very low	42 Å²	42	81.8 Å²	81.8	22%	0.215	43%	0.426	C	S	.	.	H	α-helix	trans	-64	-43	177	-68.5	-178.7	0	0	0	110.7	F195 D201 V202 L203 A224	F195-I199 HydrophobicContact CD1-CD1 4.28Å; F195-I199 HydrophobicContact CD2-CD1 4.27Å; F195-I199 HydrophobicContact CE1-CD1 3.64Å; F195-I199 HydrophobicContact CE2-CD1 3.65Å; F195-I199 HydrophobicContact CE2-CG1 4.45Å; F195-I199 HydrophobicContact CZ-CD1 3.31Å; F195-I199 HydrophobicContact CZ-CG1 4.49Å; F195-I199 PolarHBondContact O-N 2.96Å; F195-I199 VanDerWaalsContact O-N 3.1Å; I199-D201 VanDerWaalsContact C-N 3.33Å; I199-D201 PolarHBondContact O-N 3.43Å; I199-V202 PolarHBondContact O-N 3.22Å; I199-L203 HydrophobicContact CG2-CD1 3.82Å; I199-L203 HydrophobicContact CG2-CG 4.32Å; I199-L203 WeakPolarHBondContact O-CB 3.28Å; I199-L203 VanDerWaalsContact O-CG 3.28Å; I199-L203 WeakPolarHBondContact O-CG 3.28Å; I199-L203 PolarHBondContact O-N 3.25Å; I199-A224 HydrophobicContact CD1-CB 4.3Å; I199-A224 HydrophobicContact CG1-CB 3.98Å
200	Q	50.6	Low	46.6	Very low	97 Å²	97	83.4 Å²	83.4	45%	0.453	43%	0.433	S	S	.	.	H	α-helix	trans	-65.6	-37.7	-178.9	-163.5	173.5	13.5	0	0	112	H196 S197 T198 R204	H196-Q200 WeakPolarHBondContact O-CB 3.32Å; H196-Q200 PolarHBondContact O-N 3.44Å; S197-Q200 PolarHBondContact O-N 3.08Å; T198-Q200 VanDerWaalsContact C-N 3.34Å; T198-Q200 PolarHBondContact O-N 3.1Å; Q200-R204 WeakPolarHBondContact O-CB 3.27Å; Q200-R204 VanDerWaalsContact O-CG 3.32Å; Q200-R204 WeakPolarHBondContact O-CG 3.35Å; Q200-R204 PolarHBondContact O-N 3.42Å
201	D	57	Low	46.6	Very low	84 Å²	84	86.9 Å²	86.9	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-73.3	-38.3	178.8	-69.7	-22.7	0	0	0	112	S197 T198 I199 R204 S205	S197-D201 VanDerWaalsContact O-CB 3.27Å; S197-D201 WeakPolarHBondContact O-CB 3.3Å; S197-D201 PolarHBondContact O-N 2.79Å; T198-D201 PolarHBondContact O-N 3.15Å; I199-D201 VanDerWaalsContact C-N 3.33Å; I199-D201 PolarHBondContact O-N 3.43Å; D201-R204 PolarHBondContact O-N 3.48Å; D201-R204 IonicContact OD1-NH1 3.36Å; D201-R204 PolarHBondContact OD1-NH1 3.22Å; D201-S205 WeakPolarHBondContact O-CB 3.22Å; D201-S205 PolarHBondContact O-N 2.97Å; D201-S205 PolarHBondContact O-OG 2.92Å
202	V	46.3	Very low	46.8	Very low	36 Å²	36	92.6 Å²	92.6	22%	0.218	47%	0.467	C	S	.	.	H	α-helix	trans	-63.7	-45.7	172.7	170.9	0	0	0	0	110.8	T198 I199 R204 S205 Q206 A220	T198-V202 WeakPolarHBondContact O-CB 2.89Å; T198-V202 VanDerWaalsContact O-CG2 3.22Å; T198-V202 WeakPolarHBondContact O-CG2 3.43Å; T198-V202 PolarHBondContact O-N 3.4Å; I199-V202 PolarHBondContact O-N 3.22Å; V202-R204 VanDerWaalsContact C-N 3.33Å; V202-R204 PolarHBondContact O-N 2.86Å; V202-S205 PolarHBondContact O-N 3.36Å; V202-S205 PolarHBondContact O-OG 2.92Å; V202-Q206 WeakPolarHBondContact O-CB 3.22Å; V202-Q206 PolarHBondContact O-N 3.45Å; V202-A220 HydrophobicContact CG1-CB 3.93Å; V202-A220 HydrophobicContact CG2-CB 4.06Å
203	L	43.9	Very low	47	Very low	87 Å²	87	88.1 Å²	88.1	46%	0.455	45%	0.446	S	S	.	.	H	α-helix	trans	-63.1	-40.7	176.6	-72.5	173.1	0	0	0	111.6	I199 L207	I199-L203 HydrophobicContact CG2-CD1 3.82Å; I199-L203 HydrophobicContact CG2-CG 4.32Å; I199-L203 WeakPolarHBondContact O-CB 3.28Å; I199-L203 VanDerWaalsContact O-CG 3.28Å; I199-L203 WeakPolarHBondContact O-CG 3.28Å; I199-L203 PolarHBondContact O-N 3.25Å; L203-L207 WeakPolarHBondContact O-CB 3.46Å; L203-L207 PolarHBondContact O-N 3.46Å
204	R	52.4	Low	47.5	Very low	143 Å²	143	89.5 Å²	89.5	54%	0.54	47%	0.465	S	S	.	.	H	α-helix	trans	-66.9	-42.8	176.4	-81.9	-176.9	-170.6	137.5	-4.5	112.8	Q200 D201 V202 Q206 R208	Q200-R204 WeakPolarHBondContact O-CB 3.27Å; Q200-R204 VanDerWaalsContact O-CG 3.32Å; Q200-R204 WeakPolarHBondContact O-CG 3.35Å; Q200-R204 PolarHBondContact O-N 3.42Å; D201-R204 PolarHBondContact O-N 3.48Å; D201-R204 IonicContact OD1-NH1 3.36Å; D201-R204 PolarHBondContact OD1-NH1 3.22Å; V202-R204 VanDerWaalsContact C-N 3.33Å; V202-R204 PolarHBondContact O-N 2.86Å; R204-Q206 VanDerWaalsContact C-N 3.33Å; R204-R208 PolarHBondContact O-N 3Å
205	S	48	Very low	48.3	Very low	63 Å²	63	89.3 Å²	89.3	44%	0.441	47%	0.472	S	S	.	.	H	α-helix	trans	-65.6	-40.4	-178.9	70.2	0	0	0	0	110.6	D201 V202 R208 S209	D201-S205 WeakPolarHBondContact O-CB 3.22Å; D201-S205 PolarHBondContact O-N 2.97Å; D201-S205 PolarHBondContact O-OG 2.92Å; V202-S205 PolarHBondContact O-N 3.36Å; V202-S205 PolarHBondContact O-OG 2.92Å; S205-R208 WeakPolarHBondContact O-CB 3.4Å; S205-R208 PolarHBondContact O-N 3.27Å; S205-S209 PolarHBondContact O-N 3.1Å; S205-S209 VanDerWaalsContact O-N 3.17Å; S205-S209 PolarHBondContact O-OG 2.89Å
206	Q	39.8	Very low	49.1	Very low	30 Å²	30	93.6 Å²	93.6	14%	0.14	49%	0.492	C	S	.	.	H	α-helix	trans	-78.2	-32.9	179.3	-72.6	-164.9	-17.3	0	0	113.8	V202 R204 R208 S209 E216	V202-Q206 WeakPolarHBondContact O-CB 3.22Å; V202-Q206 PolarHBondContact O-N 3.45Å; R204-Q206 VanDerWaalsContact C-N 3.33Å; Q206-R208 PolarHBondContact O-N 2.94Å; Q206-R208 VanDerWaalsContact O-N 3.11Å; Q206-S209 CarbonylContact O-C 3.34Å; Q206-S209 PolarHBondContact O-N 3.45Å; Q206-S209 VanDerWaalsContact O-N 3.07Å; Q206-E216 PolarHBondContact NE2-OE2 3.11Å
207	L	41.4	Very low	49.4	Very low	146 Å²	146	92.9 Å²	92.9	76%	0.764	49%	0.49	S	S	*	.	H	α-helix	trans	-56.9	-26.9	168.3	-104.5	145.3	0	0	0	112.3	L203	L203-L207 WeakPolarHBondContact O-CB 3.46Å; L203-L207 PolarHBondContact O-N 3.46Å
208	R	45.6	Very low	49.7	Very low	227 Å²	227	94.3 Å²	94.3	86%	0.857	50%	0.496	S	S	*	.	H	α-helix	trans	-85.4	-29	177.9	-156.7	174.9	-174.7	179.4	0.6	112.9	R204 S205 Q206	R204-R208 PolarHBondContact O-N 3Å; S205-R208 WeakPolarHBondContact O-CB 3.4Å; S205-R208 PolarHBondContact O-N 3.27Å; Q206-R208 PolarHBondContact O-N 2.94Å; Q206-R208 VanDerWaalsContact O-N 3.11Å
209	S	44.5	Very low	50.6	Low	72 Å²	72	98 Å²	98	50%	0.503	51%	0.51	S	S	.	.	S	Bend	trans	-100.1	92.7	179.2	-56.4	0	0	0	0	108.3	S205 Q206 T211	S205-S209 PolarHBondContact O-N 3.1Å; S205-S209 VanDerWaalsContact O-N 3.17Å; S205-S209 PolarHBondContact O-OG 2.89Å; Q206-S209 CarbonylContact O-C 3.34Å; Q206-S209 PolarHBondContact O-N 3.45Å; Q206-S209 VanDerWaalsContact O-N 3.07Å; S209-T211 PolarHBondContact O-N 2.92Å
210	A	46.1	Very low	51.3	Low	99 Å²	99	97 Å²	97	82%	0.818	51%	0.508	S	S	*	.			trans	-62.4	22.7	-171.8	0	0	0	0	0	116.5
211	T	44.1	Very low	51.6	Low	116 Å²	116	96 Å²	96	71%	0.712	51%	0.505	S	S	*	.			trans	-116.1	125	175.7	-44.9	0	0	0	0	108.3	S209 P213	S209-T211 PolarHBondContact O-N 2.92Å; T211-P213 VanDerWaalsContact C-CD 3.42Å; T211-P213 WeakPolarHBondContact O-CD 3.4Å
212	Y	51.3	Low	51.9	Low	198 Å²	198	97.2 Å²	97.2	78%	0.776	51%	0.511	S	S	*	.			trans	-105.7	81.5	-166.5	-108.3	-93.3	0	0	0	111.9	G214	Y212-G214 PolarHBondContact O-N 3.34Å
213	P	51.3	Low	53.3	Low	49 Å²	49	100 Å²	100	32%	0.318	52%	0.524	S	S	.	.			trans	-90.2	96.2	168	33	-30.8	0	0	0	109.4	T211 Q215 E216	T211-P213 VanDerWaalsContact C-CD 3.42Å; T211-P213 WeakPolarHBondContact O-CD 3.4Å; P213-Q215 PolarHBondContact O-N 3.4Å; P213-E216 HydrophobicContact CB-CG 4.43Å; P213-E216 VanDerWaalsContact CG-CD 3.4Å; P213-E216 HydrophobicContact CG-CG 4Å; P213-E216 WeakPolarHBondContact CG-OE2 3.28Å; P213-E216 PolarHBondContact O-N 3.18Å; P213-E216 VanDerWaalsContact O-N 3.08Å
214	G	54.2	Low	54.3	Low	45 Å²	45	96 Å²	96	46%	0.464	50%	0.503	S	S	.	.	H	α-helix	trans	-54.4	-22.3	-179.1	0	0	0	0	0	114.9	Y212 E216 I217 T218	Y212-G214 PolarHBondContact O-N 3.34Å; G214-E216 VanDerWaalsContact C-N 3.34Å; G214-E216 PolarHBondContact O-N 2.98Å; G214-I217 PolarHBondContact O-N 3.36Å; G214-T218 PolarHBondContact O-N 3.28Å; G214-T218 PolarHBondContact O-OG1 2.98Å
215	Q	67.7	Low	54.8	Low	173 Å²	173	90.4 Å²	90.4	81%	0.808	49%	0.489	S	S	*	.	H	α-helix	trans	-64.3	-34.7	178.2	-141.3	168.2	8.5	0	0	113	P213 I217 Q219	P213-Q215 PolarHBondContact O-N 3.4Å; Q215-I217 VanDerWaalsContact C-N 3.34Å; Q215-Q219 PolarHBondContact O-N 2.84Å; Q215-Q219 VanDerWaalsContact O-N 3.09Å
216	E	59.2	Low	55.8	Low	106 Å²	106	93.7 Å²	93.7	50%	0.495	50%	0.498	S	S	.	.	H	α-helix	trans	-68.7	-34.6	176.7	-68.3	176.3	-175.1	0	0	111.7	Q206 P213 G214 Q219 A220	Q206-E216 PolarHBondContact NE2-OE2 3.11Å; P213-E216 HydrophobicContact CB-CG 4.43Å; P213-E216 VanDerWaalsContact CG-CD 3.4Å; P213-E216 HydrophobicContact CG-CG 4Å; P213-E216 WeakPolarHBondContact CG-OE2 3.28Å; P213-E216 PolarHBondContact O-N 3.18Å; P213-E216 VanDerWaalsContact O-N 3.08Å; G214-E216 VanDerWaalsContact C-N 3.34Å; G214-E216 PolarHBondContact O-N 2.98Å; E216-Q219 PolarHBondContact O-N 3.03Å; E216-A220 VanDerWaalsContact O-CB 3.28Å; E216-A220 WeakPolarHBondContact O-CB 3.49Å; E216-A220 PolarHBondContact O-N 2.85Å
217	I	50.7	Low	57.1	Low	34 Å²	34	94.5 Å²	94.5	17%	0.174	51%	0.505	C	S	.	.	H	α-helix	trans	-66.7	-48.7	177.5	-62.4	175.5	0	0	0	109.6	G214 Q215 Q219 A220 M221	G214-I217 PolarHBondContact O-N 3.36Å; Q215-I217 VanDerWaalsContact C-N 3.34Å; I217-Q219 VanDerWaalsContact C-N 3.27Å; I217-Q219 PolarHBondContact O-N 2.96Å; I217-A220 PolarHBondContact O-N 3.1Å; I217-M221 HydrophobicContact CG2-CE 3.68Å; I217-M221 HydrophobicContact CG2-CG 4.11Å; I217-M221 HydrophobicContact CG2-SD 3.89Å; I217-M221 VanDerWaalsContact O-CB 3.3Å; I217-M221 WeakPolarHBondContact O-CB 3.4Å; I217-M221 VanDerWaalsContact O-CG 3.27Å; I217-M221 WeakPolarHBondContact O-CG 3.19Å; I217-M221 PolarHBondContact O-N 3.06Å
218	T	57.9	Low	58.1	Low	83 Å²	83	90.2 Å²	90.2	51%	0.509	48%	0.48	S	S	.	.	H	α-helix	trans	-57.3	-44.9	177.6	-51.1	0	0	0	0	110.5	G214 M221 D222	G214-T218 PolarHBondContact O-N 3.28Å; G214-T218 PolarHBondContact O-OG1 2.98Å; T218-M221 PolarHBondContact O-N 3.07Å; T218-D222 WeakPolarHBondContact O-CB 3.07Å; T218-D222 PolarHBondContact O-N 3.22Å
219	Q	66.7	Low	58.9	Low	128 Å²	128	83.5 Å²	83.5	60%	0.598	46%	0.461	S	S	*	.	H	α-helix	trans	-64.2	-44.3	177.7	-169.2	177.9	13.1	0	0	112.5	Q215 E216 I217 D222 I223	Q215-Q219 PolarHBondContact O-N 2.84Å; Q215-Q219 VanDerWaalsContact O-N 3.09Å; E216-Q219 PolarHBondContact O-N 3.03Å; I217-Q219 VanDerWaalsContact C-N 3.27Å; I217-Q219 PolarHBondContact O-N 2.96Å; Q219-D222 PolarHBondContact O-N 3.05Å; Q219-I223 HydrophobicContact CG-CD1 4.13Å; Q219-I223 VanDerWaalsContact O-CG1 3.28Å; Q219-I223 WeakPolarHBondContact O-CG1 3.34Å; Q219-I223 PolarHBondContact O-N 3.3Å
220	A	59.4	Low	60	Low	22 Å²	22	86.2 Å²	86.2	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-65.4	-39.3	177.7	0	0	0	0	0	112.1	V202 E216 I217 I223 A224	V202-A220 HydrophobicContact CG1-CB 3.93Å; V202-A220 HydrophobicContact CG2-CB 4.06Å; E216-A220 VanDerWaalsContact O-CB 3.28Å; E216-A220 WeakPolarHBondContact O-CB 3.49Å; E216-A220 PolarHBondContact O-N 2.85Å; I217-A220 PolarHBondContact O-N 3.1Å; A220-I223 PolarHBondContact O-N 3.41Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 2.9Å
221	M	55.6	Low	61	Low	76 Å²	76	83.7 Å²	83.7	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-64.3	-42.3	174.6	-75.8	-173.9	172.3	0	0	111.5	I217 T218 A224 G225	I217-M221 HydrophobicContact CG2-CE 3.68Å; I217-M221 HydrophobicContact CG2-CG 4.11Å; I217-M221 HydrophobicContact CG2-SD 3.89Å; I217-M221 VanDerWaalsContact O-CB 3.3Å; I217-M221 WeakPolarHBondContact O-CB 3.4Å; I217-M221 VanDerWaalsContact O-CG 3.27Å; I217-M221 WeakPolarHBondContact O-CG 3.19Å; I217-M221 PolarHBondContact O-N 3.06Å; T218-M221 PolarHBondContact O-N 3.07Å; M221-A224 PolarHBondContact O-N 3.18Å; M221-G225 PolarHBondContact O-N 3.21Å
222	D	64.8	Low	61.8	Low	108 Å²	108	79.7 Å²	79.7	58%	0.578	42%	0.415	S	S	*	.	H	α-helix	trans	-63.1	-46.9	175.6	-86.7	-6.5	0	0	0	111.4	T218 Q219 A224 G225 Q226	T218-D222 WeakPolarHBondContact O-CB 3.07Å; T218-D222 PolarHBondContact O-N 3.22Å; Q219-D222 PolarHBondContact O-N 3.05Å; D222-A224 VanDerWaalsContact C-N 3.33Å; D222-A224 PolarHBondContact O-N 3.05Å; D222-G225 PolarHBondContact O-N 3.02Å; D222-Q226 WeakPolarHBondContact O-CB 3.27Å; D222-Q226 VanDerWaalsContact O-CG 3.26Å; D222-Q226 WeakPolarHBondContact O-CG 3.5Å; D222-Q226 PolarHBondContact O-N 3.45Å
223	I	74.1	Confident	62.4	Low	96 Å²	96	78.6 Å²	78.6	49%	0.492	41%	0.409	S	S	.	.	H	α-helix	trans	-59.8	-46.1	176.4	-69.1	166.1	0	0	0	110.5	Q219 A220 Q226 T227	Q219-I223 HydrophobicContact CG-CD1 4.13Å; Q219-I223 VanDerWaalsContact O-CG1 3.28Å; Q219-I223 WeakPolarHBondContact O-CG1 3.34Å; Q219-I223 PolarHBondContact O-N 3.3Å; A220-I223 PolarHBondContact O-N 3.41Å; I223-Q226 PolarHBondContact O-N 3.09Å; I223-T227 WeakPolarHBondContact O-CB 3.48Å; I223-T227 PolarHBondContact O-N 3.18Å; I223-T227 PolarHBondContact O-OG1 3.18Å
224	A	65.6	Low	63.4	Low	2 Å²	2	79 Å²	79	2%	0.017	41%	0.409	C	S	.	.	H	α-helix	trans	-61.6	-48.5	178.1	0	0	0	0	0	110	F195 I199 A220 M221 D222 Q226 T227 F228	F195-A224 HydrophobicContact CD2-CB 3.5Å; F195-A224 WeakPolarHBondContact CD2-O 3.44Å; F195-A224 HydrophobicContact CE2-CB 3.46Å; F195-A224 VanDerWaalsContact CE2-CB 3.46Å; F195-A224 WeakPolarHBondContact CE2-O 3.26Å; I199-A224 HydrophobicContact CD1-CB 4.3Å; I199-A224 HydrophobicContact CG1-CB 3.98Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 2.9Å; M221-A224 PolarHBondContact O-N 3.18Å; D222-A224 VanDerWaalsContact C-N 3.33Å; D222-A224 PolarHBondContact O-N 3.05Å; A224-Q226 VanDerWaalsContact C-N 3.34Å; A224-Q226 PolarHBondContact O-N 2.98Å; A224-T227 WeakPolarHBondContact O-CB 3.47Å; A224-T227 PolarHBondContact O-N 3.31Å; A224-T227 VanDerWaalsContact O-N 3.13Å; A224-F228 PolarHBondContact O-N 3.44Å
225	G	63.4	Low	63.9	Low	25 Å²	25	80.2 Å²	80.2	26%	0.258	40%	0.401	S	S	.	.	H	α-helix	trans	-59.3	-44.4	-179.2	0	0	0	0	0	112.2	M221 D222 F228 L229	M221-G225 PolarHBondContact O-N 3.21Å; D222-G225 PolarHBondContact O-N 3.02Å; G225-F228 PolarHBondContact O-N 3.34Å; G225-L229 WeakPolarHBondContact O-CG 3.49Å; G225-L229 PolarHBondContact O-N 3.07Å
226	Q	69	Low	63.3	Low	133 Å²	133	74.8 Å²	74.8	62%	0.621	38%	0.38	S	S	*	.	H	α-helix	trans	-62.4	-43.5	174.6	-70.4	-67.6	-8	0	0	112	D222 I223 A224 F228 L229 H230	D222-Q226 WeakPolarHBondContact O-CB 3.27Å; D222-Q226 VanDerWaalsContact O-CG 3.26Å; D222-Q226 WeakPolarHBondContact O-CG 3.5Å; D222-Q226 PolarHBondContact O-N 3.45Å; I223-Q226 PolarHBondContact O-N 3.09Å; A224-Q226 VanDerWaalsContact C-N 3.34Å; A224-Q226 PolarHBondContact O-N 2.98Å; Q226-F228 PolarHBondContact O-N 3Å; Q226-L229 PolarHBondContact O-N 3.11Å; Q226-H230 WeakPolarHBondContact O-CB 3.47Å; Q226-H230 PolarHBondContact O-N 3.37Å
227	T	66.5	Low	63.5	Low	46 Å²	46	75.8 Å²	75.8	28%	0.282	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-42.9	177.6	-53.3	0	0	0	0	111.2	I223 A224 H230 D231	I223-T227 WeakPolarHBondContact O-CB 3.48Å; I223-T227 PolarHBondContact O-N 3.18Å; I223-T227 PolarHBondContact O-OG1 3.18Å; A224-T227 WeakPolarHBondContact O-CB 3.47Å; A224-T227 PolarHBondContact O-N 3.31Å; A224-T227 VanDerWaalsContact O-N 3.13Å; T227-H230 PolarHBondContact O-N 2.94Å; T227-D231 PolarHBondContact O-N 3.38Å
228	F	62	Low	64.5	Low	56 Å²	56	81.5 Å²	81.5	25%	0.246	41%	0.412	C	S	.	.	H	α-helix	trans	-62.6	-43.6	176.6	176.8	-97.5	0	0	0	112.1	Y193 F195 A224 G225 Q226 S232	Y193-F228 HydrophobicContact CD2-CE2 4.21Å; Y193-F228 HydrophobicContact CE2-CE2 4.48Å; Y193-F228 HydrophobicContact CG-CD2 4.38Å; Y193-F228 HydrophobicContact CG-CE2 4.46Å; F195-F228 HydrophobicContact CB-CB 4.1Å; F195-F228 HydrophobicContact CB-CD2 4.1Å; F195-F228 HydrophobicContact CD1-CD2 4.27Å; F195-F228 HydrophobicContact CD2-CB 3.63Å; F195-F228 HydrophobicContact CD2-CG 4.42Å; F195-F228 HydrophobicContact CE2-CB 4.14Å; F195-F228 HydrophobicContact CG-CB 3.85Å; F195-F228 HydrophobicContact CG-CD2 4.12Å; F195-F228 HydrophobicContact CG-CG 4.26Å; A224-F228 PolarHBondContact O-N 3.44Å; G225-F228 PolarHBondContact O-N 3.34Å; Q226-F228 PolarHBondContact O-N 3Å; F228-S232 VanDerWaalsContact O-CB 3.23Å; F228-S232 WeakPolarHBondContact O-CB 2.99Å; F228-S232 PolarHBondContact O-N 3.03Å; F228-S232 PolarHBondContact O-OG 2.95Å
229	L	61.6	Low	64.5	Low	86 Å²	86	86.8 Å²	86.8	45%	0.45	42%	0.423	S	S	.	.	H	α-helix	trans	-63.9	-42.3	176.3	-75	173.8	0	0	0	111.5	G225 Q226 S232 R233	G225-L229 WeakPolarHBondContact O-CG 3.49Å; G225-L229 PolarHBondContact O-N 3.07Å; Q226-L229 PolarHBondContact O-N 3.11Å; L229-S232 PolarHBondContact O-N 2.83Å; L229-R233 WeakPolarHBondContact O-CB 3.27Å; L229-R233 VanDerWaalsContact O-CG 3.3Å; L229-R233 WeakPolarHBondContact O-CG 3.28Å; L229-R233 PolarHBondContact O-N 3.38Å
230	H	68.2	Low	63.5	Low	129 Å²	129	83.1 Å²	83.1	60%	0.597	42%	0.419	S	S	*	.	H	α-helix	trans	-60.3	-51.8	177	-176.3	-82.2	0	0	0	111.2	Q226 T227 S232 R233 D234	Q226-H230 WeakPolarHBondContact O-CB 3.47Å; Q226-H230 PolarHBondContact O-N 3.37Å; T227-H230 PolarHBondContact O-N 2.94Å; H230-S232 VanDerWaalsContact C-N 3.31Å; H230-S232 PolarHBondContact O-N 3.36Å; H230-R233 PolarHBondContact O-N 3.45Å; H230-D234 WeakPolarHBondContact O-CB 3.5Å; H230-D234 PolarHBondContact O-N 2.79Å
231	D	67.2	Low	62.7	Low	47 Å²	47	91.5 Å²	91.5	25%	0.251	45%	0.446	S	S	.	.	H	α-helix	trans	-68.7	-31.8	-179.6	-72	-8.4	0	0	0	112.9	Y193 T227 D234 K235	Y193-D231 HydrophobicContact CD1-CB 4.18Å; Y193-D231 HydrophobicContact CE1-CB 3.24Å; Y193-D231 WeakPolarHBondContact CE1-OD2 3.32Å; Y193-D231 PolarHBondContact OH-O 3.08Å; T227-D231 PolarHBondContact O-N 3.38Å; D231-D234 PolarHBondContact O-N 3.46Å; D231-K235 WeakPolarHBondContact O-CB 3.33Å; D231-K235 WeakPolarHBondContact O-CG 3.37Å; D231-K235 PolarHBondContact O-N 2.7Å
232	S	60.7	Low	62.2	Low	32 Å²	32	93.4 Å²	93.4	22%	0.224	47%	0.465	C	S	.	.	H	α-helix	trans	-65.3	-43.6	175.4	-63.1	0	0	0	0	110.3	F228 L229 H230 K235 V236	F228-S232 VanDerWaalsContact O-CB 3.23Å; F228-S232 WeakPolarHBondContact O-CB 2.99Å; F228-S232 PolarHBondContact O-N 3.03Å; F228-S232 PolarHBondContact O-OG 2.95Å; L229-S232 PolarHBondContact O-N 2.83Å; H230-S232 VanDerWaalsContact C-N 3.31Å; H230-S232 PolarHBondContact O-N 3.36Å; S232-K235 PolarHBondContact O-N 2.92Å; S232-V236 VanDerWaalsContact O-CG2 3.3Å; S232-V236 WeakPolarHBondContact O-CG2 3.4Å; S232-V236 PolarHBondContact O-N 3.46Å
233	R	65.2	Low	61.4	Low	174 Å²	174	93.6 Å²	93.6	66%	0.657	48%	0.475	S	S	*	.	H	α-helix	trans	-62.3	-45.1	173.8	-76.1	174.9	173.1	177	-1	111.7	L229 H230 K235 V236 N237	L229-R233 WeakPolarHBondContact O-CB 3.27Å; L229-R233 VanDerWaalsContact O-CG 3.3Å; L229-R233 WeakPolarHBondContact O-CG 3.28Å; L229-R233 PolarHBondContact O-N 3.38Å; H230-R233 PolarHBondContact O-N 3.45Å; R233-K235 VanDerWaalsContact C-N 3.35Å; R233-K235 PolarHBondContact O-N 3.33Å; R233-V236 PolarHBondContact O-N 2.88Å; R233-N237 WeakPolarHBondContact O-CB 3.43Å; R233-N237 VanDerWaalsContact O-CG 3.22Å; R233-N237 PolarHBondContact O-N 2.68Å
234	D	71.5	Confident	60.1	Low	57 Å²	57	97.8 Å²	97.8	31%	0.305	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-43	176.6	-176.7	55.8	0	0	0	111.7	H230 D231 N237 K238	H230-D234 WeakPolarHBondContact O-CB 3.5Å; H230-D234 PolarHBondContact O-N 2.79Å; D231-D234 PolarHBondContact O-N 3.46Å; D234-N237 PolarHBondContact O-N 3.24Å; D234-K238 VanDerWaalsContact O-CB 3.29Å; D234-K238 WeakPolarHBondContact O-CB 3.4Å; D234-K238 VanDerWaalsContact O-CG 3.31Å; D234-K238 WeakPolarHBondContact O-CG 3.14Å; D234-K238 PolarHBondContact O-N 3.46Å; D234-K238 WeakPolarHBondContact OD1-CE 3.4Å; D234-K238 IonicContact OD1-NZ 3.36Å; D234-K238 PolarHBondContact OD1-NZ 3.01Å; D234-K238 WeakPolarHBondContact OD2-CD 3.43Å; D234-K238 VanDerWaalsContact OD2-CE 3.25Å; D234-K238 WeakPolarHBondContact OD2-CE 3.34Å; D234-K238 IonicContact OD2-NZ 2.68Å; D234-K238 PolarHBondContact OD2-NZ 3.17Å
235	K	64.5	Low	59	Low	71 Å²	71	106.3 Å²	106.3	31%	0.309	53%	0.532	S	S	.	.	H	α-helix	trans	-66	-39.2	175	-76.1	-164.1	-167.7	161.6	0	113	Y193 D231 S232 R233 R239	Y193-K235 HydrophobicContact CE2-CD 4.43Å; Y193-K235 VanDerWaalsContact CE2-NZ 3.26Å; Y193-K235 WeakPolarHBondContact OH-CD 3.4Å; Y193-K235 WeakPolarHBondContact OH-CE 3.42Å; Y193-K235 WeakPolarHBondContact OH-CG 3.5Å; Y193-K235 PolarHBondContact OH-NZ 3.37Å; Y193-K235 VanDerWaalsContact OH-NZ 3.17Å; D231-K235 WeakPolarHBondContact O-CB 3.33Å; D231-K235 WeakPolarHBondContact O-CG 3.37Å; D231-K235 PolarHBondContact O-N 2.7Å; S232-K235 PolarHBondContact O-N 2.92Å; R233-K235 VanDerWaalsContact C-N 3.35Å; R233-K235 PolarHBondContact O-N 3.33Å; K235-R239 VanDerWaalsContact O-CB 3.23Å; K235-R239 WeakPolarHBondContact O-CB 3.36Å; K235-R239 WeakPolarHBondContact O-CG 3.35Å; K235-R239 PolarHBondContact O-N 2.92Å
236	V	54.8	Low	58.3	Low	59 Å²	59	116.5 Å²	116.5	36%	0.358	56%	0.562	S	S	.	*	H	α-helix	trans	-63.6	-44.5	175.7	170.3	0	0	0	0	110.3	S232 R233 W241	S232-V236 VanDerWaalsContact O-CG2 3.3Å; S232-V236 WeakPolarHBondContact O-CG2 3.4Å; S232-V236 PolarHBondContact O-N 3.46Å; R233-V236 PolarHBondContact O-N 2.88Å; V236-W241 HydrophobicContact CG1-CD2 4.12Å; V236-W241 HydrophobicContact CG1-CE3 3.8Å; V236-W241 HydrophobicContact CG1-CZ3 4.07Å
237	N	63.3	Low	56.9	Low	127 Å²	127	116.8 Å²	116.8	68%	0.679	57%	0.573	S	S	*	*	H	α-helix	trans	-66.4	-43.5	178.9	-69.5	-11.9	0	0	0	112	R233 D234 G240	R233-N237 WeakPolarHBondContact O-CB 3.43Å; R233-N237 VanDerWaalsContact O-CG 3.22Å; R233-N237 PolarHBondContact O-N 2.68Å; D234-N237 PolarHBondContact O-N 3.24Å; N237-G240 PolarHBondContact O-N 3.17Å
238	K	72.5	Confident	55.8	Low	155 Å²	155	123.4 Å²	123.4	67%	0.674	62%	0.621	S	S	*	*	H	α-helix	trans	-70.4	-32	179.1	-76.7	176.6	176.3	163.9	0	113.7	D234 G240	D234-K238 VanDerWaalsContact O-CB 3.29Å; D234-K238 WeakPolarHBondContact O-CB 3.4Å; D234-K238 VanDerWaalsContact O-CG 3.31Å; D234-K238 WeakPolarHBondContact O-CG 3.14Å; D234-K238 PolarHBondContact O-N 3.46Å; D234-K238 WeakPolarHBondContact OD1-CE 3.4Å; D234-K238 IonicContact OD1-NZ 3.36Å; D234-K238 PolarHBondContact OD1-NZ 3.01Å; D234-K238 WeakPolarHBondContact OD2-CD 3.43Å; D234-K238 VanDerWaalsContact OD2-CE 3.25Å; D234-K238 WeakPolarHBondContact OD2-CE 3.34Å; D234-K238 IonicContact OD2-NZ 2.68Å; D234-K238 PolarHBondContact OD2-NZ 3.17Å; K238-G240 PolarHBondContact O-N 3.29Å
239	R	57.2	Low	55.5	Low	193 Å²	193	126.8 Å²	126.8	73%	0.728	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	0.1	179.9	-76.8	-176	-170.7	-155.1	1.9	113.3	K235 W241	K235-R239 VanDerWaalsContact O-CB 3.23Å; K235-R239 WeakPolarHBondContact O-CB 3.36Å; K235-R239 WeakPolarHBondContact O-CG 3.35Å; K235-R239 PolarHBondContact O-N 2.92Å; R239-W241 PolarHBondContact O-N 3.36Å
240	G	46.4	Very low	55.2	Low	51 Å²	51	128.9 Å²	128.9	53%	0.526	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	48.7	66.1	176.8	0	0	0	0	0	109	N237 K238 P242	N237-G240 PolarHBondContact O-N 3.17Å; K238-G240 PolarHBondContact O-N 3.29Å; G240-P242 WeakPolarHBondContact O-CD 3.26Å
241	W	41.6	Very low	54.5	Low	198 Å²	198	128.9 Å²	128.9	75%	0.75	65%	0.653	S	S	*	*			trans	-48.4	124.5	174.6	-114.8	-7.9	0	0	0	107.2	V236 R239 S243	V236-W241 HydrophobicContact CG1-CD2 4.12Å; V236-W241 HydrophobicContact CG1-CE3 3.8Å; V236-W241 HydrophobicContact CG1-CZ3 4.07Å; R239-W241 PolarHBondContact O-N 3.36Å; W241-S243 VanDerWaalsContact C-N 3.33Å; W241-S243 PolarHBondContact O-N 2.94Å
242	P	45.2	Very low	53.7	Low	117 Å²	117	133.8 Å²	133.8	76%	0.76	68%	0.676	S	S	*	*			trans	-55.7	107.5	-178.7	-19.9	29.8	0	0	0	105.8	G240 E244	G240-P242 WeakPolarHBondContact O-CD 3.26Å; P242-E244 PolarHBondContact O-N 3.41Å
243	S	49.5	Very low	53.3	Low	112 Å²	112	140.1 Å²	140.1	78%	0.783	71%	0.705	S	S	*	*			trans	-59.3	116.4	172.6	-42.8	0	0	0	0	103.1	W241 E245	W241-S243 VanDerWaalsContact C-N 3.33Å; W241-S243 PolarHBondContact O-N 2.94Å; S243-E245 PolarHBondContact O-N 3.04Å
244	E	47	Very low	52.5	Low	184 Å²	184	137.9 Å²	137.9	86%	0.86	71%	0.708	S	S	*	*			trans	-30.1	107.5	-176.7	-81	171.6	136.5	0	0	109.4	P242 R246	P242-E244 PolarHBondContact O-N 3.41Å; E244-R246 PolarHBondContact O-N 2.91Å
245	E	42.3	Very low	51.1	Low	181 Å²	181	143.6 Å²	143.6	85%	0.846	74%	0.737	S	S	*	*			trans	-56.4	112.1	177.2	-158.8	167.8	-153.4	0	0	104.7	S243 V247	S243-E245 PolarHBondContact O-N 3.04Å; E245-V247 PolarHBondContact O-N 2.66Å
246	R	47.2	Very low	50.1	Low	238 Å²	238	149.2 Å²	149.2	90%	0.898	77%	0.77	S	S	*	*			trans	-50.9	108.4	-176	-65.8	177.4	-171.3	169.8	2.3	107.4	E244 S248	E244-R246 PolarHBondContact O-N 2.91Å; R246-S248 PolarHBondContact O-N 2.94Å
247	V	41.6	Very low	49.7	Very low	139 Å²	139	156.8 Å²	156.8	84%	0.842	80%	0.804	S	S	*	*			trans	-70.2	100.8	170.8	-180	0	0	0	0	106.4	E245	E245-V247 PolarHBondContact O-N 2.66Å
248	S	42.9	Very low	48.5	Very low	186 Å²	186	159.5 Å²	159.5	100%	1.301	82%	0.815	S	S	*	*			trans	60.3	0	169.5	-70.1	0	0	0	0	118.2	R246	R246-S248 PolarHBondContact O-N 2.94Å

Retrieved 248 of 248 residues in 331.6 ms (Link to these results)

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