A0A061IHS3_CRIGR Loading...

Nuclear receptor ROR-beta

AlphaFold DB , UniProt , Accession A0A061IHS3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rorb, Length 470 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	45.3	Very low	45.8	Very low	224 Å²	224	131.2 Å²	131.2	100%	1.103	68%	0.679	S	S	*	*				0	-18.8	0	-72.1	-169.1	-176.7	0	0	115
2	C	44.1	Very low	46.4	Very low	103 Å²	103	123.3 Å²	123.3	70%	0.696	65%	0.647	S	S	*	*	H	α-helix	trans	-69.8	-32.1	-175	-68.1	0	0	0	0	116.1	N4 Q5	C2-N4 PolarHBondContact O-N 3.43Å; C2-Q5 PolarHBondContact O-N 3.4Å
3	E	43.6	Very low	46.9	Very low	165 Å²	165	120.7 Å²	120.7	77%	0.771	64%	0.639	S	S	*	*	H	α-helix	trans	-66.6	-36	-172.3	-64	178.3	133.4	0	0	113.6	Q5 L6 K7	E3-Q5 VanDerWaalsContact C-N 3.28Å; E3-Q5 PolarHBondContact O-N 3.29Å; E3-L6 PolarHBondContact O-N 3.26Å; E3-K7 PolarHBondContact O-N 3.09Å
4	N	42.7	Very low	47.4	Very low	126 Å²	126	116 Å²	116	67%	0.674	63%	0.626	S	S	*	*	H	α-helix	trans	-66.4	-27.8	179.7	-76.3	-5.4	0	0	0	113.1	C2 T8	C2-N4 PolarHBondContact O-N 3.43Å; N4-T8 PolarHBondContact O-N 2.82Å; N4-T8 PolarHBondContact O-OG1 3.47Å; N4-T8 VanDerWaalsContact O-OG1 3.1Å
5	Q	42.7	Very low	48	Very low	144 Å²	144	113.4 Å²	113.4	67%	0.673	61%	0.609	S	S	*	*	H	α-helix	trans	-75.9	-27.5	177.2	-66.7	-169.7	6.6	0	0	112.9	C2 E3 T8 K9	C2-Q5 PolarHBondContact O-N 3.4Å; E3-Q5 VanDerWaalsContact C-N 3.28Å; E3-Q5 PolarHBondContact O-N 3.29Å; Q5-T8 PolarHBondContact O-OG1 2.98Å; Q5-K9 PolarHBondContact O-N 2.75Å
6	L	44.5	Very low	48.6	Very low	123 Å²	123	107.8 Å²	107.8	64%	0.644	58%	0.578	S	S	*	*	H	α-helix	trans	-72.8	-44.2	177.1	-82.3	153.3	0	0	0	111.5	E3 K9 A10	E3-L6 PolarHBondContact O-N 3.26Å; L6-K9 PolarHBondContact O-N 3.37Å; L6-A10 PolarHBondContact O-N 2.81Å; L6-A10 VanDerWaalsContact O-N 3.15Å
7	K	42.6	Very low	49	Very low	153 Å²	153	106.9 Å²	106.9	67%	0.665	57%	0.569	S	S	*	*	H	α-helix	trans	-56.7	-52.2	173.9	-85.6	-176.8	172.4	176.8	0	112.4	E3 K9 A10 D11	E3-K7 PolarHBondContact O-N 3.09Å; K7-K9 PolarHBondContact O-N 3.43Å; K7-A10 WeakPolarHBondContact O-CB 3.3Å; K7-A10 PolarHBondContact O-N 3.24Å; K7-D11 PolarHBondContact O-N 2.68Å; K7-D11 VanDerWaalsContact O-N 3.11Å
8	T	49.8	Very low	49.8	Very low	93 Å²	93	104.3 Å²	104.3	57%	0.571	56%	0.558	S	S	*	*	H	α-helix	trans	-62.6	-26.4	-179.4	44.5	0	0	0	0	114.4	N4 Q5 A12	N4-T8 PolarHBondContact O-N 2.82Å; N4-T8 PolarHBondContact O-OG1 3.47Å; N4-T8 VanDerWaalsContact O-OG1 3.1Å; Q5-T8 PolarHBondContact O-OG1 2.98Å; T8-A12 PolarHBondContact O-N 2.78Å
9	K	46.2	Very low	51.3	Low	162 Å²	162	99.2 Å²	99.2	70%	0.704	53%	0.531	S	S	*	.	H	α-helix	trans	-73.9	-42.1	173.6	-108.2	-178.1	176.3	179.1	0	111.7	Q5 L6 K7 A12 T13	Q5-K9 PolarHBondContact O-N 2.75Å; L6-K9 PolarHBondContact O-N 3.37Å; K7-K9 PolarHBondContact O-N 3.43Å; K9-A12 PolarHBondContact O-N 3.1Å; K9-T13 PolarHBondContact O-N 3.18Å; K9-T13 PolarHBondContact O-OG1 2.83Å
10	A	49.7	Very low	53.2	Low	55 Å²	55	96.9 Å²	96.9	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-46.6	179.5	0	0	0	0	0	111.6	L6 K7 A12 T13 A14	L6-A10 PolarHBondContact O-N 2.81Å; L6-A10 VanDerWaalsContact O-N 3.15Å; K7-A10 WeakPolarHBondContact O-CB 3.3Å; K7-A10 PolarHBondContact O-N 3.24Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-A12 PolarHBondContact O-N 3.47Å; A10-T13 WeakPolarHBondContact CA-OG1 3.4Å; A10-T13 PolarHBondContact O-N 2.88Å; A10-T13 PolarHBondContact O-OG1 3.2Å; A10-A14 PolarHBondContact O-N 3.5Å
11	D	52.7	Low	55.1	Low	95 Å²	95	92.4 Å²	92.4	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-58.6	-43.6	177.4	-71.4	-33.9	0	0	0	112.2	K7 T13 A14 Q15	K7-D11 PolarHBondContact O-N 2.68Å; K7-D11 VanDerWaalsContact O-N 3.11Å; D11-T13 VanDerWaalsContact C-N 3.33Å; D11-T13 PolarHBondContact O-N 3.39Å; D11-A14 PolarHBondContact O-N 3.24Å; D11-Q15 WeakPolarHBondContact O-CB 3.24Å; D11-Q15 VanDerWaalsContact O-CG 3.27Å; D11-Q15 WeakPolarHBondContact O-CG 3.4Å; D11-Q15 PolarHBondContact O-N 3.46Å; D11-Q15 PolarHBondContact O-OE1 3.34Å
12	A	52.8	Low	57.4	Low	36 Å²	36	85.5 Å²	85.5	30%	0.298	46%	0.461	S	S	.	.	H	α-helix	trans	-64.4	-34.4	178.6	0	0	0	0	0	112.8	T8 K9 A10 I16	T8-A12 PolarHBondContact O-N 2.78Å; K9-A12 PolarHBondContact O-N 3.1Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-A12 PolarHBondContact O-N 3.47Å; A12-I16 WeakPolarHBondContact O-CD1 3.47Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å
13	T	53.6	Low	59.8	Low	90 Å²	90	80.6 Å²	80.6	55%	0.552	43%	0.428	S	S	*	.	H	α-helix	trans	-70.6	-43.9	170.8	25.3	0	0	0	0	112.6	K9 A10 D11 Q15 I16 E17	K9-T13 PolarHBondContact O-N 3.18Å; K9-T13 PolarHBondContact O-OG1 2.83Å; A10-T13 WeakPolarHBondContact CA-OG1 3.4Å; A10-T13 PolarHBondContact O-N 2.88Å; A10-T13 PolarHBondContact O-OG1 3.2Å; D11-T13 VanDerWaalsContact C-N 3.33Å; D11-T13 PolarHBondContact O-N 3.39Å; T13-Q15 VanDerWaalsContact C-N 3.28Å; T13-Q15 PolarHBondContact O-N 3.32Å; T13-I16 PolarHBondContact O-N 3.16Å; T13-I16 VanDerWaalsContact O-N 3.17Å; T13-E17 PolarHBondContact O-N 2.83Å
14	A	54	Low	62.3	Low	55 Å²	55	73 Å²	73	46%	0.455	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-35	-178.9	0	0	0	0	0	112.5	A10 D11 I16	A10-A14 PolarHBondContact O-N 3.5Å; D11-A14 PolarHBondContact O-N 3.24Å; A14-I16 VanDerWaalsContact C-N 3.33Å; A14-I16 PolarHBondContact O-N 2.82Å
15	Q	55.3	Low	64.6	Low	77 Å²	77	69.4 Å²	69.4	36%	0.36	39%	0.386	S	S	.	.	H	α-helix	trans	-70.8	-23.4	178.3	-72.4	164	-15.5	0	0	113.7	D11 T13 Y105	D11-Q15 WeakPolarHBondContact O-CB 3.24Å; D11-Q15 VanDerWaalsContact O-CG 3.27Å; D11-Q15 WeakPolarHBondContact O-CG 3.4Å; D11-Q15 PolarHBondContact O-N 3.46Å; D11-Q15 PolarHBondContact O-OE1 3.34Å; T13-Q15 VanDerWaalsContact C-N 3.28Å; T13-Q15 PolarHBondContact O-N 3.32Å; Q15-Y105 PolarHBondContact OE1-OH 3.1Å
16	I	57.3	Low	67	Low	23 Å²	23	63.7 Å²	63.7	12%	0.118	36%	0.36	C	S	.	.	H	α-helix	trans	-82.6	-30	179	-57.9	165.8	0	0	0	111.6	A12 T13 A14 V18 I19 S28 I36 L104	A12-I16 WeakPolarHBondContact O-CD1 3.47Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; T13-I16 PolarHBondContact O-N 3.16Å; T13-I16 VanDerWaalsContact O-N 3.17Å; A14-I16 VanDerWaalsContact C-N 3.33Å; A14-I16 PolarHBondContact O-N 2.82Å; I16-V18 PolarHBondContact O-N 3.07Å; I16-I19 PolarHBondContact O-N 3.21Å; I16-S28 PolarHBondContact O-OG 2.75Å; I16-S28 VanDerWaalsContact O-OG 3.11Å; I16-I36 HydrophobicContact CG2-CG2 4.4Å; I16-L104 HydrophobicContact CD1-CD2 4.12Å; I16-L104 HydrophobicContact CG1-CD2 3.94Å
17	E	56	Low	69.1	Low	93 Å²	93	63.9 Å²	63.9	44%	0.435	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18	178.5	-66	-157.8	150.4	0	0	114.1	T13 I19 K27	T13-E17 PolarHBondContact O-N 2.83Å; E17-I19 VanDerWaalsContact C-N 3.34Å; E17-K27 VanDerWaalsContact CD-NZ 3.3Å; E17-K27 IonicContact OE1-NZ 3.52Å; E17-K27 VanDerWaalsContact OE2-CE 3.24Å; E17-K27 WeakPolarHBondContact OE2-CE 3.44Å; E17-K27 IonicContact OE2-NZ 3.95Å; E17-K27 PolarHBondContact OE2-NZ 3.19Å
18	V	64.4	Low	71.3	Confident	61 Å²	61	56.8 Å²	56.8	37%	0.37	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.6	177.2	-175.4	0	0	0	0	112.2	I16 Q112	I16-V18 PolarHBondContact O-N 3.07Å; V18-Q112 HydrophobicContact CG1-CG 4.25Å
19	I	78	Confident	73.1	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.036	31%	0.312	C	S	.	.	S	Bend	trans	-88	128.2	179	-61.7	178.2	0	0	0	110.1	I16 E17 S28 I36 V108	I16-I19 PolarHBondContact O-N 3.21Å; E17-I19 VanDerWaalsContact C-N 3.34Å; I19-S28 WeakPolarHBondContact O-CB 3.15Å; I19-S28 PolarHBondContact O-OG 3.5Å; I19-I36 HydrophobicContact CB-CD1 4.29Å; I19-I36 HydrophobicContact CB-CG2 4.23Å; I19-I36 HydrophobicContact CD1-CD1 3.77Å; I19-I36 HydrophobicContact CG2-CD1 3.74Å; I19-I36 HydrophobicContact CG2-CG2 3.99Å; I19-V108 HydrophobicContact CD1-CB 4.42Å; I19-V108 HydrophobicContact CD1-CG2 3.48Å; I19-V108 VanDerWaalsContact CD1-CG2 3.48Å; I19-V108 HydrophobicContact CG1-CG2 4.01Å
20	P	88.6	Confident	74.9	Confident	53 Å²	53	47.3 Å²	47.3	34%	0.344	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-68.8	147.6	174.8	28.1	-34.7	0	0	0	112.4	K22 H111	P20-K22 PolarHBondContact O-N 2.87Å; P20-K22 VanDerWaalsContact O-N 3.15Å; P20-H111 WeakPolarHBondContact CD-NE2 3.36Å
21	C	94.1	Very high	76.5	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.014	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-53.6	116.6	176.4	172.1	0	0	0	0	111.3	I23 C24 G25 D26 C38	C21-I23 PolarHBondContact O-N 2.82Å; C21-C24 PolarHBondContact O-N 3.31Å; C21-C24 VanDerWaalsContact O-N 3.14Å; C21-G25 WeakPolarHBondContact O-CA 3.36Å; C21-G25 PolarHBondContact O-N 2.95Å; C21-D26 WeakPolarHBondContact CB-O 3.35Å; C21-D26 PolarHBondContact N-O 3.32Å; C21-C38 HydrophobicContact CB-CB 4Å; C21-C38 PolarHBondContact SG-N 2.65Å; C21-C38 VanDerWaalsContact SG-SG 3.63Å
22	K	92.5	Very high	78.1	Confident	80 Å²	80	44.1 Å²	44.1	35%	0.348	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.8	-177	-63.1	-78.1	-172	163.4	0	113.3	P20 V35 I36 L84 E107	P20-K22 PolarHBondContact O-N 2.87Å; P20-K22 VanDerWaalsContact O-N 3.15Å; K22-V35 HydrophobicContact CB-CG1 4Å; K22-V35 HydrophobicContact CG-CG1 4.28Å; K22-I36 HydrophobicContact CG-CB 4.31Å; K22-I36 PolarHBondContact N-O 3.12Å; K22-L84 HydrophobicContact CB-CD1 4.19Å; K22-L84 WeakPolarHBondContact O-CD1 3.34Å; K22-E107 VanDerWaalsContact NZ-CD 3.35Å; K22-E107 IonicContact NZ-OE1 2.84Å; K22-E107 PolarHBondContact NZ-OE1 2.86Å; K22-E107 IonicContact NZ-OE2 2.69Å; K22-E107 PolarHBondContact NZ-OE2 2.94Å
23	I	95.8	Very high	79.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-44.1	178.4	-45.2	-49.9	0	0	0	112.5	C21 T37 C41 I65 R77 K80 C81 L84 M86	C21-I23 PolarHBondContact O-N 2.82Å; I23-T37 HydrophobicContact CD1-CG2 4.28Å; I23-T37 HydrophobicContact CG1-CG2 3.72Å; I23-C41 HydrophobicContact CB-CB 4.17Å; I23-C41 HydrophobicContact CG1-CB 4.07Å; I23-C41 HydrophobicContact CG2-CB 4.44Å; I23-I65 HydrophobicContact CG2-CG2 4.26Å; I23-I65 WeakPolarHBondContact O-CG2 3.43Å; I23-R77 HydrophobicContact CG2-CG 4.36Å; I23-K80 HydrophobicContact CG2-CD 4.45Å; I23-K80 HydrophobicContact CG2-CG 4.47Å; I23-K80 WeakPolarHBondContact O-CD 3.43Å; I23-K80 WeakPolarHBondContact O-CE 3.27Å; I23-K80 PolarHBondContact O-NZ 2.89Å; I23-C81 HydrophobicContact CD1-CB 4.48Å; I23-L84 HydrophobicContact CD1-CB 4.23Å; I23-L84 HydrophobicContact CD1-CD1 3.65Å; I23-M86 HydrophobicContact CD1-SD 4.03Å; I23-M86 HydrophobicContact CG1-SD 4.17Å
24	C	94.6	Very high	81.2	Confident	4 Å²	4	42.8 Å²	42.8	3%	0.027	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	8.6	-166.2	77.1	0	0	0	0	115.9	C21 D26 C41 I65 D66 R67 R70	C21-C24 PolarHBondContact O-N 3.31Å; C21-C24 VanDerWaalsContact O-N 3.14Å; C24-D26 PolarHBondContact O-N 3.25Å; C24-D26 VanDerWaalsContact O-N 3.09Å; C24-C41 VanDerWaalsContact SG-SG 3.61Å; C24-I65 HydrophobicContact CB-CG2 4.06Å; C24-D66 CarbonylContact O-C 3.32Å; C24-D66 VanDerWaalsContact O-C 3.25Å; C24-D66 WeakPolarHBondContact O-CA 3.4Å; C24-R67 PolarHBondContact O-N 2.82Å; C24-R70 HydrophobicContact CB-CB 4.22Å; C24-R70 PolarHBondContact SG-NH1 3.24Å
25	G	90.9	Very high	82.8	Confident	51 Å²	51	40.8 Å²	40.8	53%	0.526	23%	0.234	S	C	.	.	S	Bend	trans	70.7	-0.7	177.1	0	0	0	0	0	116.6	C21	C21-G25 WeakPolarHBondContact O-CA 3.36Å; C21-G25 PolarHBondContact O-N 2.95Å
26	D	92.6	Very high	84.4	Confident	25 Å²	25	37.7 Å²	37.7	13%	0.134	22%	0.22	C	C	.	.	S	Bend	trans	-74.2	161.6	177.5	-160.5	13.3	0	0	0	111.3	C21 C24 S28 C38 R67 R70	C21-D26 WeakPolarHBondContact CB-O 3.35Å; C21-D26 PolarHBondContact N-O 3.32Å; C24-D26 PolarHBondContact O-N 3.25Å; C24-D26 VanDerWaalsContact O-N 3.09Å; D26-S28 PolarHBondContact O-N 3.2Å; D26-C38 HydrophobicContact CB-CB 4.29Å; D26-R67 HydrophobicContact CB-CB 4.45Å; D26-R67 HydrophobicContact CB-CG 4.06Å; D26-R67 WeakPolarHBondContact OD1-CD 3.49Å; D26-R67 IonicContact OD1-CZ 2.68Å; D26-R67 IonicContact OD1-NE 3.55Å; D26-R67 PolarHBondContact OD1-NE 3.49Å; D26-R67 IonicContact OD1-NH2 3.29Å; D26-R70 IonicContact OD2-CZ 2.75Å; D26-R70 IonicContact OD2-NH1 2.92Å; D26-R70 PolarHBondContact OD2-NH1 3.13Å; D26-R70 IonicContact OD2-NH2 3.38Å; D26-R70 PolarHBondContact OD2-NH2 3.06Å
27	K	90.3	Very high	86.1	Confident	127 Å²	127	36.6 Å²	36.6	55%	0.552	21%	0.214	S	C	*	.	B	Isolated β-bridge	trans	-54.3	125.2	179.7	-171.4	-175.5	177.6	-170.3	0	110.2	E17 C38	E17-K27 VanDerWaalsContact CD-NZ 3.3Å; E17-K27 IonicContact OE1-NZ 3.52Å; E17-K27 VanDerWaalsContact OE2-CE 3.24Å; E17-K27 WeakPolarHBondContact OE2-CE 3.44Å; E17-K27 IonicContact OE2-NZ 3.95Å; E17-K27 PolarHBondContact OE2-NZ 3.19Å; K27-C38 WeakPolarHBondContact O-CB 3.28Å
28	S	88.9	Confident	88	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.021	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-76.9	158.1	178.4	80.5	0	0	0	0	111.6	I16 I19 D26	I16-S28 PolarHBondContact O-OG 2.75Å; I16-S28 VanDerWaalsContact O-OG 3.11Å; I19-S28 WeakPolarHBondContact O-CB 3.15Å; I19-S28 PolarHBondContact O-OG 3.5Å; D26-S28 PolarHBondContact O-N 3.2Å
29	S	86.3	Confident	89.4	Confident	44 Å²	44	34.1 Å²	34.1	31%	0.308	20%	0.199	S	C	.	.			trans	-122.1	23.5	177.9	57.9	0	0	0	0	111.7	H32 T37 E39	S29-H32 PolarHBondContact O-NE2 3.11Å; S29-H32 VanDerWaalsContact O-NE2 3.13Å; S29-H32 PolarHBondContact OG-NE2 3.11Å; S29-T37 PolarHBondContact N-O 2.73Å; S29-T37 PolarHBondContact OG-O 3.22Å; S29-E39 WeakPolarHBondContact CB-OE1 3.04Å; S29-E39 WeakPolarHBondContact OG-CG 3.43Å; S29-E39 PolarHBondContact OG-N 2.95Å; S29-E39 PolarHBondContact OG-OE1 3.3Å
30	G	83.8	Confident	90.2	Very high	12 Å²	12	35.3 Å²	35.3	12%	0.124	21%	0.213	C	C	.	.	S	Bend	trans	114.4	-170.8	-173.6	0	0	0	0	0	114.5	H32 I36 T37	G30-H32 PolarHBondContact O-CD2 3.2Å; G30-I36 WeakPolarHBondContact O-CA 3.47Å; G30-T37 PolarHBondContact O-N 3.2Å
31	I	83.5	Confident	90.6	Very high	56 Å²	56	32.8 Å²	32.8	29%	0.287	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.4	173.9	-65.5	164.5	0	0	0	108.6	V35 I36 M96 L104	I31-V35 WeakPolarHBondContact CA-O 3.46Å; I31-I36 HydrophobicContact CG1-CG1 3.85Å; I31-M96 HydrophobicContact CD1-CE 4.17Å; I31-M96 HydrophobicContact CD1-SD 3.37Å; I31-M96 WeakPolarHBondContact CD1-SD 3.35Å; I31-L104 HydrophobicContact CD1-CD1 3.83Å; I31-L104 HydrophobicContact CD1-CD2 3.78Å; I31-L104 HydrophobicContact CD1-CG 4.46Å
32	H	87.6	Confident	90.7	Very high	28 Å²	28	35.1 Å²	35.1	13%	0.13	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.8	178.5	-54.1	-77.1	0	0	0	108.7	S29 G30 G34 V35 T37 E39 K42	S29-H32 PolarHBondContact O-NE2 3.11Å; S29-H32 VanDerWaalsContact O-NE2 3.13Å; S29-H32 PolarHBondContact OG-NE2 3.11Å; G30-H32 PolarHBondContact O-CD2 3.2Å; H32-G34 PolarHBondContact O-N 3.5Å; H32-G34 VanDerWaalsContact O-N 3.12Å; H32-V35 PolarHBondContact N-O 2.92Å; H32-V35 PolarHBondContact O-N 3.19Å; H32-V35 VanDerWaalsContact O-N 3.13Å; H32-V35 VanDerWaalsContact O-O 3.13Å; H32-T37 PolarHBondContact CD2-OG1 3.37Å; H32-E39 IonicContact CE1-OE1 4Å; H32-E39 PolarHBondContact CE1-OE1 3.23Å; H32-E39 IonicContact NE2-OE1 3.72Å; H32-E39 PolarHBondContact NE2-OE1 3.48Å; H32-K42 HydrophobicContact CB-CB 3.93Å; H32-K42 HydrophobicContact CB-CD 4.3Å; H32-K42 HydrophobicContact CB-CG 3.81Å; H32-K42 PolarHBondContact CE1-NZ 2.9Å; H32-K42 WeakPolarHBondContact ND1-CD 3.48Å; H32-K42 WeakPolarHBondContact ND1-CE 3.24Å
33	Y	87	Confident	90.8	Very high	47 Å²	47	32 Å²	32	18%	0.184	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	26.1	-178.4	-56	-79.2	0	0	0	114.3	K42 F45 R46 M86 S87 A90 V91	Y33-K42 HydrophobicContact CE2-CG 4.08Å; Y33-F45 HydrophobicContact CD1-CD1 4.01Å; Y33-F45 AromaticContact CD1-CE1 3.9Å; Y33-F45 HydrophobicContact CD1-CE1 3.9Å; Y33-F45 AromaticContact CD2-CD1 3.67Å; Y33-F45 HydrophobicContact CD2-CD1 3.67Å; Y33-F45 HydrophobicContact CD2-CE1 4.3Å; Y33-F45 HydrophobicContact CE1-CD1 4.44Å; Y33-F45 HydrophobicContact CE2-CD1 4.13Å; Y33-F45 AromaticContact CG-CD1 3.61Å; Y33-F45 HydrophobicContact CG-CD1 3.61Å; Y33-F45 AromaticContact CG-CE1 3.76Å; Y33-F45 HydrophobicContact CG-CE1 3.76Å; Y33-R46 HydrophobicContact CE2-CB 4.36Å; Y33-R46 WeakPolarHBondContact OH-CB 3.41Å; Y33-R46 WeakPolarHBondContact OH-CD 3.21Å; Y33-R46 VanDerWaalsContact OH-CG 3.29Å; Y33-R46 WeakPolarHBondContact OH-CG 3.44Å; Y33-M86 HydrophobicContact CD2-CE 3.75Å; Y33-M86 HydrophobicContact CG-CE 4.24Å; Y33-M86 CarbonylContact O-C 3.25Å; Y33-M86 VanDerWaalsContact O-CA 3.32Å; Y33-M86 WeakPolarHBondContact O-CA 3.22Å; Y33-S87 WeakPolarHBondContact CB-O 3.42Å; Y33-S87 WeakPolarHBondContact CD1-O 3.38Å; Y33-S87 PolarHBondContact O-N 2.62Å; Y33-A90 WeakPolarHBondContact O-CB 3.5Å; Y33-V91 HydrophobicContact CD1-CG2 3.45Å; Y33-V91 VanDerWaalsContact CD1-CG2 3.45Å; Y33-V91 HydrophobicContact CE1-CG2 3.59Å; Y33-V91 HydrophobicContact CG-CG2 4.41Å
34	G	83.1	Confident	90.8	Very high	51 Å²	51	32.5 Å²	32.5	53%	0.526	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	-9	-179.7	0	0	0	0	0	115.8	H32	H32-G34 PolarHBondContact O-N 3.5Å; H32-G34 VanDerWaalsContact O-N 3.12Å
35	V	88.2	Confident	90.8	Very high	13 Å²	13	32.3 Å²	32.3	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.8	-174.6	-172.8	0	0	0	0	111.8	K22 I31 H32 T37 L84 M86	K22-V35 HydrophobicContact CB-CG1 4Å; K22-V35 HydrophobicContact CG-CG1 4.28Å; I31-V35 WeakPolarHBondContact CA-O 3.46Å; H32-V35 PolarHBondContact N-O 2.92Å; H32-V35 PolarHBondContact O-N 3.19Å; H32-V35 VanDerWaalsContact O-N 3.13Å; H32-V35 VanDerWaalsContact O-O 3.13Å; V35-T37 HydrophobicContact CB-CG2 4.07Å; V35-T37 HydrophobicContact CG1-CG2 4.03Å; V35-T37 PolarHBondContact O-N 2.9Å; V35-T37 VanDerWaalsContact O-N 3.17Å; V35-L84 WeakPolarHBondContact CG2-O 3.46Å; V35-M86 HydrophobicContact CB-CG 3.77Å; V35-M86 HydrophobicContact CG2-CB 4.33Å; V35-M86 HydrophobicContact CG2-CG 3.5Å
36	I	89.3	Confident	90.9	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.062	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	110.9	172.3	-51.7	168.1	0	0	0	109.4	I16 I19 K22 G30 I31 L104	I16-I36 HydrophobicContact CG2-CG2 4.4Å; I19-I36 HydrophobicContact CB-CD1 4.29Å; I19-I36 HydrophobicContact CB-CG2 4.23Å; I19-I36 HydrophobicContact CD1-CD1 3.77Å; I19-I36 HydrophobicContact CG2-CD1 3.74Å; I19-I36 HydrophobicContact CG2-CG2 3.99Å; K22-I36 HydrophobicContact CG-CB 4.31Å; K22-I36 PolarHBondContact N-O 3.12Å; G30-I36 WeakPolarHBondContact O-CA 3.47Å; I31-I36 HydrophobicContact CG1-CG1 3.85Å; I36-L104 HydrophobicContact CD1-CD1 3.52Å; I36-L104 HydrophobicContact CG1-CD1 3.91Å
37	T	93	Very high	91	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.			trans	-140.4	162.1	-176.3	66.9	0	0	0	0	113	I23 S29 G30 H32 V35 M86	I23-T37 HydrophobicContact CD1-CG2 4.28Å; I23-T37 HydrophobicContact CG1-CG2 3.72Å; S29-T37 PolarHBondContact N-O 2.73Å; S29-T37 PolarHBondContact OG-O 3.22Å; G30-T37 PolarHBondContact O-N 3.2Å; H32-T37 PolarHBondContact CD2-OG1 3.37Å; V35-T37 HydrophobicContact CB-CG2 4.07Å; V35-T37 HydrophobicContact CG1-CG2 4.03Å; V35-T37 PolarHBondContact O-N 2.9Å; V35-T37 VanDerWaalsContact O-N 3.17Å; T37-M86 HydrophobicContact CG2-CE 4.02Å; T37-M86 HydrophobicContact CG2-SD 3.86Å
38	C	95	Very high	91.1	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.027	19%	0.189	C	C	.	.			trans	-82	157.7	167.2	64.2	0	0	0	0	111	C21 D26 K27 G40 C41 K42 R70	C21-C38 HydrophobicContact CB-CB 4Å; C21-C38 PolarHBondContact SG-N 2.65Å; C21-C38 VanDerWaalsContact SG-SG 3.63Å; D26-C38 HydrophobicContact CB-CB 4.29Å; K27-C38 WeakPolarHBondContact O-CB 3.28Å; C38-G40 PolarHBondContact O-N 3.1Å; C38-C41 PolarHBondContact O-N 3.32Å; C38-C41 VanDerWaalsContact SG-SG 3.66Å; C38-K42 PolarHBondContact O-N 3.18Å; C38-R70 PolarHBondContact SG-NH1 3.06Å; C38-R70 VanDerWaalsContact SG-NH1 3.44Å
39	E	94.8	Very high	90.9	Very high	97 Å²	97	37.5 Å²	37.5	45%	0.453	20%	0.198	S	C	.	.	H	α-helix	trans	-50.1	-35.6	174.1	-70	-56.1	116.5	0	0	112.9	S29 H32 C41 K42 G43	S29-E39 WeakPolarHBondContact CB-OE1 3.04Å; S29-E39 WeakPolarHBondContact OG-CG 3.43Å; S29-E39 PolarHBondContact OG-N 2.95Å; S29-E39 PolarHBondContact OG-OE1 3.3Å; H32-E39 IonicContact CE1-OE1 4Å; H32-E39 PolarHBondContact CE1-OE1 3.23Å; H32-E39 IonicContact NE2-OE1 3.72Å; H32-E39 PolarHBondContact NE2-OE1 3.48Å; E39-C41 VanDerWaalsContact C-N 3.34Å; E39-C41 PolarHBondContact O-N 3.43Å; E39-K42 WeakPolarHBondContact OE1-CD 3.16Å; E39-K42 IonicContact OE1-NZ 3.73Å; E39-K42 PolarHBondContact OE1-NZ 3.22Å; E39-K42 VanDerWaalsContact OE2-CD 3.22Å; E39-K42 WeakPolarHBondContact OE2-CD 3.5Å; E39-K42 WeakPolarHBondContact OE2-CE 3.46Å; E39-K42 IonicContact OE2-NZ 3.87Å; E39-K42 PolarHBondContact OE2-NZ 2.94Å; E39-G43 PolarHBondContact O-N 3.23Å
40	G	95.6	Very high	90.6	Very high	32 Å²	32	41.3 Å²	41.3	33%	0.33	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-32.6	177.7	0	0	0	0	0	114.3	C38 F44 R77	C38-G40 PolarHBondContact O-N 3.1Å; G40-F44 WeakPolarHBondContact O-CB 3.41Å; G40-F44 PolarHBondContact O-N 2.85Å; G40-R77 PolarHBondContact O-NH2 2.85Å
41	C	96.6	Very high	90.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-89.6	-37.3	178	-66.1	0	0	0	0	112.2	I23 C24 C38 E39 F44 F45	I23-C41 HydrophobicContact CB-CB 4.17Å; I23-C41 HydrophobicContact CG1-CB 4.07Å; I23-C41 HydrophobicContact CG2-CB 4.44Å; C24-C41 VanDerWaalsContact SG-SG 3.61Å; C38-C41 PolarHBondContact O-N 3.32Å; C38-C41 VanDerWaalsContact SG-SG 3.66Å; E39-C41 VanDerWaalsContact C-N 3.34Å; E39-C41 PolarHBondContact O-N 3.43Å; C41-F44 PolarHBondContact O-N 3Å; C41-F45 WeakPolarHBondContact O-CB 3.45Å; C41-F45 PolarHBondContact O-N 3.34Å
42	K	94.7	Very high	89.8	Confident	52 Å²	52	51.3 Å²	51.3	23%	0.226	26%	0.263	C	S	.	.	H	α-helix	trans	-51.5	-54.7	166	170.7	-160	-167.9	179.4	0	112	H32 Y33 C38 E39 F44 F45 R46	H32-K42 HydrophobicContact CB-CB 3.93Å; H32-K42 HydrophobicContact CB-CD 4.3Å; H32-K42 HydrophobicContact CB-CG 3.81Å; H32-K42 PolarHBondContact CE1-NZ 2.9Å; H32-K42 WeakPolarHBondContact ND1-CD 3.48Å; H32-K42 WeakPolarHBondContact ND1-CE 3.24Å; Y33-K42 HydrophobicContact CE2-CG 4.08Å; C38-K42 PolarHBondContact O-N 3.18Å; E39-K42 WeakPolarHBondContact OE1-CD 3.16Å; E39-K42 IonicContact OE1-NZ 3.73Å; E39-K42 PolarHBondContact OE1-NZ 3.22Å; E39-K42 VanDerWaalsContact OE2-CD 3.22Å; E39-K42 WeakPolarHBondContact OE2-CD 3.5Å; E39-K42 WeakPolarHBondContact OE2-CE 3.46Å; E39-K42 IonicContact OE2-NZ 3.87Å; E39-K42 PolarHBondContact OE2-NZ 2.94Å; K42-F44 VanDerWaalsContact C-N 3.34Å; K42-F44 PolarHBondContact O-N 3.46Å; K42-F45 PolarHBondContact O-N 3.07Å; K42-R46 WeakPolarHBondContact O-CB 3.03Å; K42-R46 PolarHBondContact O-N 3.12Å
43	G	94.6	Very high	89.2	Confident	14 Å²	14	51.2 Å²	51.2	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-32.5	-178.2	0	0	0	0	0	113.4	E39 R47	E39-G43 PolarHBondContact O-N 3.23Å; G43-R47 WeakPolarHBondContact O-CG 3.28Å; G43-R47 PolarHBondContact O-N 3Å; G43-R47 PolarHBondContact O-NH1 3.32Å
44	F	96.4	Very high	89	Confident	10 Å²	10	54.7 Å²	54.7	4%	0.044	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-57.2	171	172	-98.1	0	0	0	111	G40 C41 K42 R46 R47 S48 Y55 Q74 R77 L78	G40-F44 WeakPolarHBondContact O-CB 3.41Å; G40-F44 PolarHBondContact O-N 2.85Å; C41-F44 PolarHBondContact O-N 3Å; K42-F44 VanDerWaalsContact C-N 3.34Å; K42-F44 PolarHBondContact O-N 3.46Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.96Å; F44-R47 PolarHBondContact O-N 3.4Å; F44-R47 VanDerWaalsContact O-N 3.1Å; F44-S48 PolarHBondContact O-N 2.84Å; F44-S48 PolarHBondContact O-OG 3.43Å; F44-S48 VanDerWaalsContact O-OG 3.08Å; F44-Y55 HydrophobicContact CE2-CE2 4.06Å; F44-Y55 HydrophobicContact CZ-CD2 4.4Å; F44-Y55 AromaticContact CZ-CE2 3.78Å; F44-Y55 HydrophobicContact CZ-CE2 3.78Å; F44-Q74 HydrophobicContact CE2-CB 4.05Å; F44-Q74 HydrophobicContact CE2-CG 4.07Å; F44-Q74 HydrophobicContact CZ-CB 4.16Å; F44-Q74 WeakPolarHBondContact CZ-O 3.39Å; F44-R77 HydrophobicContact CD1-CG 3.92Å; F44-R77 HydrophobicContact CE1-CB 3.95Å; F44-R77 HydrophobicContact CE1-CG 3.73Å; F44-R77 HydrophobicContact CZ-CB 4.12Å; F44-R77 HydrophobicContact CZ-CG 4.27Å; F44-L78 HydrophobicContact CE1-CB 3.87Å; F44-L78 HydrophobicContact CE1-CD1 4.25Å; F44-L78 HydrophobicContact CZ-CB 4.05Å
45	F	94.8	Very high	89.4	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-55	-44.4	-178.9	-175.5	-102.6	0	0	0	112	Y33 C41 K42 R47 S48 Q49 L78 C81 L82 M86	Y33-F45 HydrophobicContact CD1-CD1 4.01Å; Y33-F45 AromaticContact CD1-CE1 3.9Å; Y33-F45 HydrophobicContact CD1-CE1 3.9Å; Y33-F45 AromaticContact CD2-CD1 3.67Å; Y33-F45 HydrophobicContact CD2-CD1 3.67Å; Y33-F45 HydrophobicContact CD2-CE1 4.3Å; Y33-F45 HydrophobicContact CE1-CD1 4.44Å; Y33-F45 HydrophobicContact CE2-CD1 4.13Å; Y33-F45 AromaticContact CG-CD1 3.61Å; Y33-F45 HydrophobicContact CG-CD1 3.61Å; Y33-F45 AromaticContact CG-CE1 3.76Å; Y33-F45 HydrophobicContact CG-CE1 3.76Å; C41-F45 WeakPolarHBondContact O-CB 3.45Å; C41-F45 PolarHBondContact O-N 3.34Å; K42-F45 PolarHBondContact O-N 3.07Å; F45-R47 PolarHBondContact O-N 3.27Å; F45-S48 PolarHBondContact O-N 3.27Å; F45-Q49 HydrophobicContact CD1-CG 4.19Å; F45-Q49 HydrophobicContact CD2-CG 4.14Å; F45-Q49 HydrophobicContact CE1-CG 3.84Å; F45-Q49 HydrophobicContact CE2-CG 3.79Å; F45-Q49 HydrophobicContact CG-CG 4.33Å; F45-Q49 HydrophobicContact CZ-CG 3.62Å; F45-Q49 VanDerWaalsContact O-CB 3.3Å; F45-Q49 WeakPolarHBondContact O-CB 3.32Å; F45-Q49 VanDerWaalsContact O-CG 3.31Å; F45-Q49 WeakPolarHBondContact O-CG 3.46Å; F45-Q49 PolarHBondContact O-N 3.42Å; F45-L78 HydrophobicContact CD2-CD1 3.97Å; F45-L78 HydrophobicContact CE2-CD1 4.33Å; F45-C81 HydrophobicContact CD2-CB 3.64Å; F45-C81 HydrophobicContact CE2-CB 4.16Å; F45-L82 HydrophobicContact CE2-CD2 3.79Å; F45-L82 HydrophobicContact CE2-CG 4.3Å; F45-L82 HydrophobicContact CZ-CD2 4.24Å; F45-M86 HydrophobicContact CB-CE 3.78Å; F45-M86 HydrophobicContact CB-SD 4.31Å; F45-M86 HydrophobicContact CD1-CB 4.24Å; F45-M86 HydrophobicContact CD1-CE 3.94Å; F45-M86 HydrophobicContact CD2-CB 3.98Å; F45-M86 HydrophobicContact CD2-CE 4.5Å; F45-M86 HydrophobicContact CD2-SD 4.34Å; F45-M86 HydrophobicContact CE1-CB 3.96Å; F45-M86 HydrophobicContact CE2-CB 3.68Å; F45-M86 HydrophobicContact CG-CB 4.25Å; F45-M86 HydrophobicContact CG-CE 3.82Å; F45-M86 HydrophobicContact CG-SD 4.23Å; F45-M86 VanDerWaalsContact CZ-C 3.47Å; F45-M86 HydrophobicContact CZ-CB 3.68Å; F45-M86 WeakPolarHBondContact CZ-O 3.46Å
46	R	93.4	Very high	89.4	Confident	123 Å²	123	59.2 Å²	59.2	46%	0.464	31%	0.314	S	S	.	.	H	α-helix	trans	-54.6	-50	176.1	-171.4	177.1	73.8	-172.5	1.8	112.5	Y33 K42 F44 Q49 Q50	Y33-R46 HydrophobicContact CE2-CB 4.36Å; Y33-R46 WeakPolarHBondContact OH-CB 3.41Å; Y33-R46 WeakPolarHBondContact OH-CD 3.21Å; Y33-R46 VanDerWaalsContact OH-CG 3.29Å; Y33-R46 WeakPolarHBondContact OH-CG 3.44Å; K42-R46 WeakPolarHBondContact O-CB 3.03Å; K42-R46 PolarHBondContact O-N 3.12Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.96Å; R46-Q49 PolarHBondContact O-N 3.35Å; R46-Q50 HydrophobicContact CG-CG 4.5Å; R46-Q50 WeakPolarHBondContact O-CB 3.22Å; R46-Q50 VanDerWaalsContact O-CG 3.26Å; R46-Q50 WeakPolarHBondContact O-CG 3.45Å; R46-Q50 PolarHBondContact O-N 2.99Å
47	R	93.6	Very high	89.5	Confident	141 Å²	141	59.7 Å²	59.7	53%	0.532	32%	0.319	S	S	.	.	H	α-helix	trans	-66.4	-43.3	-179.5	-71.9	-173.3	-61.8	-95.7	1	112.1	G43 F44 F45 Q49 Q50 N51	G43-R47 WeakPolarHBondContact O-CG 3.28Å; G43-R47 PolarHBondContact O-N 3Å; G43-R47 PolarHBondContact O-NH1 3.32Å; F44-R47 PolarHBondContact O-N 3.4Å; F44-R47 VanDerWaalsContact O-N 3.1Å; F45-R47 PolarHBondContact O-N 3.27Å; R47-Q49 VanDerWaalsContact C-N 3.29Å; R47-Q49 PolarHBondContact O-N 2.89Å; R47-Q50 PolarHBondContact O-N 3.26Å; R47-N51 PolarHBondContact O-N 3.48Å; R47-N51 VanDerWaalsContact O-N 3.16Å
48	S	92.1	Very high	89.1	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.014	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-37.3	179.6	-51.9	0	0	0	0	112.3	F44 F45 N52 A53 Y55	F44-S48 PolarHBondContact O-N 2.84Å; F44-S48 PolarHBondContact O-OG 3.43Å; F44-S48 VanDerWaalsContact O-OG 3.08Å; F45-S48 PolarHBondContact O-N 3.27Å; S48-N52 PolarHBondContact O-N 3.44Å; S48-A53 PolarHBondContact O-N 3.02Å; S48-Y55 VanDerWaalsContact OG-CE2 3.3Å; S48-Y55 WeakPolarHBondContact OG-CE2 3.39Å; S48-Y55 PolarHBondContact OG-OH 2.99Å
49	Q	85.3	Confident	88.8	Confident	49 Å²	49	72 Å²	72	23%	0.229	38%	0.378	C	S	.	.	H	α-helix	trans	-83.6	-22	179.8	-72	-71.2	-51.8	0	0	114.5	F45 R46 R47 R88	F45-Q49 HydrophobicContact CD1-CG 4.19Å; F45-Q49 HydrophobicContact CD2-CG 4.14Å; F45-Q49 HydrophobicContact CE1-CG 3.84Å; F45-Q49 HydrophobicContact CE2-CG 3.79Å; F45-Q49 HydrophobicContact CG-CG 4.33Å; F45-Q49 HydrophobicContact CZ-CG 3.62Å; F45-Q49 VanDerWaalsContact O-CB 3.3Å; F45-Q49 WeakPolarHBondContact O-CB 3.32Å; F45-Q49 VanDerWaalsContact O-CG 3.31Å; F45-Q49 WeakPolarHBondContact O-CG 3.46Å; F45-Q49 PolarHBondContact O-N 3.42Å; R46-Q49 PolarHBondContact O-N 3.35Å; R47-Q49 VanDerWaalsContact C-N 3.29Å; R47-Q49 PolarHBondContact O-N 2.89Å; Q49-R88 HydrophobicContact CB-CG 4.18Å; Q49-R88 HydrophobicContact CG-CG 4.49Å; Q49-R88 PolarHBondContact O-NH1 3.45Å
50	Q	80.6	Confident	88.4	Confident	124 Å²	124	76.4 Å²	76.4	58%	0.579	40%	0.399	S	S	*	.	H	α-helix	trans	-78	-41.7	174.2	-80	176.7	-45.7	0	0	112	R46 R47	R46-Q50 HydrophobicContact CG-CG 4.5Å; R46-Q50 WeakPolarHBondContact O-CB 3.22Å; R46-Q50 VanDerWaalsContact O-CG 3.26Å; R46-Q50 WeakPolarHBondContact O-CG 3.45Å; R46-Q50 PolarHBondContact O-N 2.99Å; R47-Q50 PolarHBondContact O-N 3.26Å
51	N	77.3	Confident	88.1	Confident	133 Å²	133	83.7 Å²	83.7	71%	0.711	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	9.9	-176.4	-64.2	10.8	0	0	0	113.1	R47 A53	R47-N51 PolarHBondContact O-N 3.48Å; R47-N51 VanDerWaalsContact O-N 3.16Å; N51-A53 PolarHBondContact O-N 3.24Å; N51-A53 VanDerWaalsContact O-N 3.16Å
52	N	72.3	Confident	87.8	Confident	145 Å²	145	90.9 Å²	90.9	78%	0.775	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	44.6	-172.2	-155	41.5	0	0	0	113.1	S48 S54	S48-N52 PolarHBondContact O-N 3.44Å; N52-S54 PolarHBondContact O-N 3.28Å
53	A	76.3	Confident	87.7	Confident	26 Å²	26	88.9 Å²	88.9	22%	0.215	45%	0.447	C	S	.	.			trans	-72	112.9	-162.5	0	0	0	0	0	112.1	S48 N51 Y55	S48-A53 PolarHBondContact O-N 3.02Å; N51-A53 PolarHBondContact O-N 3.24Å; N51-A53 VanDerWaalsContact O-N 3.16Å; A53-Y55 HydrophobicContact CB-CE1 3.94Å; A53-Y55 HydrophobicContact CB-CE2 4.17Å
54	S	81.2	Confident	87.5	Confident	119 Å²	119	94 Å²	94	83%	0.832	47%	0.471	S	S	*	.			trans	-78.8	118.7	169.3	-170.6	0	0	0	0	110.1	N52	N52-S54 PolarHBondContact O-N 3.28Å
55	Y	91.6	Very high	87.4	Confident	49 Å²	49	93.9 Å²	93.9	19%	0.192	47%	0.47	C	S	.	.			trans	-111.1	135.7	175	-56.7	-58.7	0	0	0	110.1	F44 S48 A53 Q74 H75 L78	F44-Y55 HydrophobicContact CE2-CE2 4.06Å; F44-Y55 HydrophobicContact CZ-CD2 4.4Å; F44-Y55 AromaticContact CZ-CE2 3.78Å; F44-Y55 HydrophobicContact CZ-CE2 3.78Å; S48-Y55 VanDerWaalsContact OG-CE2 3.3Å; S48-Y55 WeakPolarHBondContact OG-CE2 3.39Å; S48-Y55 PolarHBondContact OG-OH 2.99Å; A53-Y55 HydrophobicContact CB-CE1 3.94Å; A53-Y55 HydrophobicContact CB-CE2 4.17Å; Y55-Q74 HydrophobicContact CD1-CB 3.71Å; Y55-Q74 HydrophobicContact CD1-CG 4.49Å; Y55-Q74 HydrophobicContact CD2-CB 3.73Å; Y55-Q74 HydrophobicContact CE1-CB 4.03Å; Y55-Q74 HydrophobicContact CE1-CG 4.5Å; Y55-Q74 VanDerWaalsContact CE1-OE1 3.25Å; Y55-Q74 HydrophobicContact CE2-CB 4.03Å; Y55-Q74 HydrophobicContact CG-CB 3.57Å; Y55-H75 WeakPolarHBondContact O-CB 3.48Å; Y55-H75 PolarHBondContact O-CD2 3.38Å; Y55-L78 HydrophobicContact CD2-CB 4.29Å; Y55-L78 HydrophobicContact CD2-CD2 3.93Å; Y55-L78 HydrophobicContact CE2-CB 4.46Å; Y55-L78 HydrophobicContact CE2-CD2 3.99Å
56	S	89.5	Confident	87.4	Confident	110 Å²	110	96 Å²	96	77%	0.769	48%	0.482	S	S	*	.			trans	-90.6	146.8	169.7	-65.4	0	0	0	0	111.4
57	C	92	Very high	87.3	Confident	23 Å²	23	98.2 Å²	98.2	16%	0.155	49%	0.49	C	S	.	.			trans	-89.2	128.4	170.6	-169.5	0	0	0	0	109.7	R59 R61 C63 C73 H75 C76	C57-R59 PolarHBondContact O-N 3.44Å; C57-R59 PolarHBondContact SG-O 2.91Å; C57-R61 HydrophobicContact CB-CB 4.5Å; C57-R61 HydrophobicContact CB-CG 3.82Å; C57-C63 VanDerWaalsContact SG-SG 3.69Å; C57-C73 PolarHBondContact SG-SG 3.42Å; C57-H75 HydrophobicContact CB-CB 4.09Å; C57-C76 PolarHBondContact SG-SG 3.44Å
58	P	84.3	Confident	87.3	Confident	105 Å²	105	97 Å²	97	68%	0.682	50%	0.499	S	S	*	.	S	Bend	trans	-78.8	10.8	174.8	34.3	-36.8	0	0	0	113.3
59	R	87.9	Confident	87.2	Confident	156 Å²	156	98 Å²	98	59%	0.589	50%	0.504	S	S	*	.	S	Bend	trans	-145.8	-173	-178.1	-69.2	-168.2	-74.6	161.4	-4.6	108.8	C57 R61 C63	C57-R59 PolarHBondContact O-N 3.44Å; C57-R59 PolarHBondContact SG-O 2.91Å; R59-R61 PolarHBondContact O-N 3.37Å; R59-C63 VanDerWaalsContact CZ-SG 3.59Å; R59-C63 PolarHBondContact NH2-SG 2.8Å
60	Q	87.1	Confident	87.5	Confident	190 Å²	190	97.8 Å²	97.8	89%	0.888	50%	0.501	S	S	*	.	S	Bend	trans	-69.2	37.5	-177.6	-61	169.2	-12.5	0	0	115.3	N62	Q60-N62 PolarHBondContact O-N 2.65Å
61	R	88.3	Confident	88.2	Confident	186 Å²	186	97.6 Å²	97.6	70%	0.702	50%	0.504	S	S	*	.	S	Bend	trans	55.4	0.7	177.3	-63.2	-177.5	177.7	-170.8	-0.4	117.7	C57 R59 C76	C57-R61 HydrophobicContact CB-CB 4.5Å; C57-R61 HydrophobicContact CB-CG 3.82Å; R59-R61 PolarHBondContact O-N 3.37Å; R61-C76 PolarHBondContact O-SG 3.42Å
62	N	90.3	Very high	89	Confident	151 Å²	151	100.3 Å²	100.3	81%	0.807	50%	0.504	S	S	*	.			trans	-111	56.3	178.3	-167.4	13.7	0	0	0	112.2	Q60	Q60-N62 PolarHBondContact O-N 2.65Å
63	C	92.1	Very high	90	Very high	10 Å²	10	93.6 Å²	93.6	7%	0.068	47%	0.469	C	S	.	.			trans	-81.5	123.8	177.2	-63.2	0	0	0	0	110	C57 R59 I65 C73 C76	C57-C63 VanDerWaalsContact SG-SG 3.69Å; R59-C63 VanDerWaalsContact CZ-SG 3.59Å; R59-C63 PolarHBondContact NH2-SG 2.8Å; C63-I65 WeakPolarHBondContact O-CG1 3.46Å; C63-C73 HydrophobicContact CB-CB 3.95Å; C63-C76 HydrophobicContact CB-CB 3.69Å; C63-C76 VanDerWaalsContact SG-SG 3.67Å
64	L	91.1	Very high	90.9	Very high	120 Å²	120	97.1 Å²	97.1	63%	0.628	48%	0.481	S	S	*	.			trans	-57.2	138.2	167.8	-170.3	138.6	0	0	0	110.5	D66 N69	L64-D66 HydrophobicContact CD2-CB 4.05Å; L64-D66 WeakPolarHBondContact CD2-OD2 3.39Å; L64-N69 PolarHBondContact O-OD1 3.18Å; L64-N69 VanDerWaalsContact O-OD1 3.11Å
65	I	95.5	Very high	91.5	Very high	8 Å²	8	92.6 Å²	92.6	4%	0.041	45%	0.447	C	S	.	.			trans	-123.5	107.4	-176.8	-56.5	-61.2	0	0	0	109	I23 C24 C63 N69 R70 C76 R77 K80	I23-I65 HydrophobicContact CG2-CG2 4.26Å; I23-I65 WeakPolarHBondContact O-CG2 3.43Å; C24-I65 HydrophobicContact CB-CG2 4.06Å; C63-I65 WeakPolarHBondContact O-CG1 3.46Å; I65-N69 WeakPolarHBondContact CA-OD1 3.37Å; I65-R70 HydrophobicContact CG2-CB 3.98Å; I65-C76 HydrophobicContact CD1-CB 4.19Å; I65-R77 HydrophobicContact CD1-CB 4.07Å; I65-R77 HydrophobicContact CG2-CG 4.28Å; I65-K80 HydrophobicContact CB-CD 3.94Å; I65-K80 HydrophobicContact CG1-CD 4.22Å; I65-K80 HydrophobicContact CG2-CD 4.46Å; I65-K80 PolarHBondContact O-NZ 3.43Å
66	D	93.3	Very high	91.7	Very high	47 Å²	47	90.7 Å²	90.7	25%	0.251	44%	0.44	S	S	.	.			trans	-128.8	-178	175.3	67	51.7	0	0	0	111.7	C24 L64 T68 N69 R70	C24-D66 CarbonylContact O-C 3.32Å; C24-D66 VanDerWaalsContact O-C 3.25Å; C24-D66 WeakPolarHBondContact O-CA 3.4Å; L64-D66 HydrophobicContact CD2-CB 4.05Å; L64-D66 WeakPolarHBondContact CD2-OD2 3.39Å; D66-T68 PolarHBondContact O-N 2.78Å; D66-T68 WeakPolarHBondContact OD1-CA 3.42Å; D66-T68 WeakPolarHBondContact OD1-CB 3.46Å; D66-T68 PolarHBondContact OD1-N 3.21Å; D66-T68 PolarHBondContact OD1-OG1 3.17Å; D66-N69 VanDerWaalsContact CG-CG 3.4Å; D66-N69 VanDerWaalsContact CG-ND2 3.33Å; D66-N69 VanDerWaalsContact CG-OD1 3.29Å; D66-N69 PolarHBondContact N-OD1 3.12Å; D66-N69 PolarHBondContact OD1-N 3.28Å; D66-N69 PolarHBondContact OD1-OD1 3.12Å; D66-N69 VanDerWaalsContact OD2-CG 3.23Å; D66-N69 PolarHBondContact OD2-ND2 3.12Å; D66-N69 PolarHBondContact OD2-OD1 2.88Å; D66-R70 WeakPolarHBondContact O-CB 3.41Å; D66-R70 WeakPolarHBondContact O-CG 3.37Å; D66-R70 PolarHBondContact O-N 3.24Å
67	R	92.6	Very high	92	Very high	168 Å²	168	85.9 Å²	85.9	63%	0.634	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.9	-176.6	-173	177.1	-173.9	-143.7	-7	113	C24 D26	C24-R67 PolarHBondContact O-N 2.82Å; D26-R67 HydrophobicContact CB-CB 4.45Å; D26-R67 HydrophobicContact CB-CG 4.06Å; D26-R67 WeakPolarHBondContact OD1-CD 3.49Å; D26-R67 IonicContact OD1-CZ 2.68Å; D26-R67 IonicContact OD1-NE 3.55Å; D26-R67 PolarHBondContact OD1-NE 3.49Å; D26-R67 IonicContact OD1-NH2 3.29Å
68	T	91.9	Very high	92.2	Very high	116 Å²	116	85.6 Å²	85.6	71%	0.712	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-41.2	-175.1	73.9	0	0	0	0	112.4	D66	D66-T68 PolarHBondContact O-N 2.78Å; D66-T68 WeakPolarHBondContact OD1-CA 3.42Å; D66-T68 WeakPolarHBondContact OD1-CB 3.46Å; D66-T68 PolarHBondContact OD1-N 3.21Å; D66-T68 PolarHBondContact OD1-OG1 3.17Å
69	N	90.4	Very high	92.6	Very high	24 Å²	24	85.1 Å²	85.1	13%	0.128	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-1.4	-170.8	66.3	25.1	0	0	0	114.7	L64 I65 D66 N71 R72	L64-N69 PolarHBondContact O-OD1 3.18Å; L64-N69 VanDerWaalsContact O-OD1 3.11Å; I65-N69 WeakPolarHBondContact CA-OD1 3.37Å; D66-N69 VanDerWaalsContact CG-CG 3.4Å; D66-N69 VanDerWaalsContact CG-ND2 3.33Å; D66-N69 VanDerWaalsContact CG-OD1 3.29Å; D66-N69 PolarHBondContact N-OD1 3.12Å; D66-N69 PolarHBondContact OD1-N 3.28Å; D66-N69 PolarHBondContact OD1-OD1 3.12Å; D66-N69 VanDerWaalsContact OD2-CG 3.23Å; D66-N69 PolarHBondContact OD2-ND2 3.12Å; D66-N69 PolarHBondContact OD2-OD1 2.88Å; N69-N71 PolarHBondContact O-N 2.82Å; N69-R72 HydrophobicContact CB-CG 4.14Å; N69-R72 WeakPolarHBondContact O-CB 3.4Å; N69-R72 PolarHBondContact O-N 3.24Å
70	R	93.1	Very high	93	Very high	43 Å²	43	81.2 Å²	81.2	16%	0.162	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-19.3	177.5	59.2	-174.4	-176.3	-171.2	-7.7	116.1	C24 D26 C38 I65 D66 R77	C24-R70 HydrophobicContact CB-CB 4.22Å; C24-R70 PolarHBondContact SG-NH1 3.24Å; D26-R70 IonicContact OD2-CZ 2.75Å; D26-R70 IonicContact OD2-NH1 2.92Å; D26-R70 PolarHBondContact OD2-NH1 3.13Å; D26-R70 IonicContact OD2-NH2 3.38Å; D26-R70 PolarHBondContact OD2-NH2 3.06Å; C38-R70 PolarHBondContact SG-NH1 3.06Å; C38-R70 VanDerWaalsContact SG-NH1 3.44Å; I65-R70 HydrophobicContact CG2-CB 3.98Å; D66-R70 WeakPolarHBondContact O-CB 3.41Å; D66-R70 WeakPolarHBondContact O-CG 3.37Å; D66-R70 PolarHBondContact O-N 3.24Å; R70-R77 VanDerWaalsContact O-CD 3.3Å; R70-R77 WeakPolarHBondContact O-CD 3.42Å; R70-R77 PolarHBondContact O-NH1 2.87Å
71	N	93.4	Very high	93.3	Very high	121 Å²	121	72.1 Å²	72.1	65%	0.647	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-13	176.7	-64.4	-17.1	0	0	0	113.4	N69 C73 R77	N69-N71 PolarHBondContact O-N 2.82Å; N71-C73 PolarHBondContact O-N 3.04Å; N71-R77 PolarHBondContact OD1-NH1 3.37Å
72	R	94.1	Very high	93.5	Very high	189 Å²	189	66.6 Å²	66.6	71%	0.713	32%	0.319	S	S	*	.	S	Bend	trans	-72.3	-23.3	-175.8	-62.7	-170.2	-173.2	-176.6	0.8	114.2	N69	N69-R72 HydrophobicContact CB-CG 4.14Å; N69-R72 WeakPolarHBondContact O-CB 3.4Å; N69-R72 PolarHBondContact O-N 3.24Å
73	C	94.4	Very high	93.6	Very high	4 Å²	4	63.6 Å²	63.6	3%	0.027	32%	0.316	C	S	.	.			trans	-147.1	104.9	176.1	-172.3	0	0	0	0	111.7	C57 C63 N71 C76 R77	C57-C73 PolarHBondContact SG-SG 3.42Å; C63-C73 HydrophobicContact CB-CB 3.95Å; N71-C73 PolarHBondContact O-N 3.04Å; C73-C76 HydrophobicContact CB-CB 4.32Å; C73-C76 PolarHBondContact SG-SG 3.16Å; C73-R77 WeakPolarHBondContact O-CB 3.4Å; C73-R77 PolarHBondContact O-N 2.91Å
74	Q	94.8	Very high	93.4	Very high	100 Å²	100	66.9 Å²	66.9	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-67.9	-38.1	179.8	-64.5	172.9	-27.6	0	0	111.8	F44 Y55 R77 L78	F44-Q74 HydrophobicContact CE2-CB 4.05Å; F44-Q74 HydrophobicContact CE2-CG 4.07Å; F44-Q74 HydrophobicContact CZ-CB 4.16Å; F44-Q74 WeakPolarHBondContact CZ-O 3.39Å; Y55-Q74 HydrophobicContact CD1-CB 3.71Å; Y55-Q74 HydrophobicContact CD1-CG 4.49Å; Y55-Q74 HydrophobicContact CD2-CB 3.73Å; Y55-Q74 HydrophobicContact CE1-CB 4.03Å; Y55-Q74 HydrophobicContact CE1-CG 4.5Å; Y55-Q74 VanDerWaalsContact CE1-OE1 3.25Å; Y55-Q74 HydrophobicContact CE2-CB 4.03Å; Y55-Q74 HydrophobicContact CG-CB 3.57Å; Q74-R77 PolarHBondContact O-N 3.17Å; Q74-L78 WeakPolarHBondContact O-CB 3.32Å; Q74-L78 PolarHBondContact O-N 3.48Å
75	H	94.6	Very high	93.2	Very high	25 Å²	25	63.4 Å²	63.4	12%	0.116	33%	0.325	C	S	.	.	H	α-helix	trans	-54.5	-59.6	174.5	174.6	-88.2	0	0	0	111.9	Y55 C57 R77 L78 Q79	Y55-H75 WeakPolarHBondContact O-CB 3.48Å; Y55-H75 PolarHBondContact O-CD2 3.38Å; C57-H75 HydrophobicContact CB-CB 4.09Å; H75-R77 VanDerWaalsContact C-N 3.28Å; H75-R77 PolarHBondContact O-N 3.08Å; H75-L78 PolarHBondContact O-N 3.18Å; H75-L78 VanDerWaalsContact O-N 3.12Å; H75-Q79 WeakPolarHBondContact O-CG 3.38Å; H75-Q79 PolarHBondContact O-N 3.4Å
76	C	95	Very high	93	Very high	8 Å²	8	63.2 Å²	63.2	5%	0.054	32%	0.324	C	S	.	.	H	α-helix	trans	-65.8	-31.8	-176.1	-55.8	0	0	0	0	112.2	C57 R61 C63 I65 C73 K80	C57-C76 PolarHBondContact SG-SG 3.44Å; R61-C76 PolarHBondContact O-SG 3.42Å; C63-C76 HydrophobicContact CB-CB 3.69Å; C63-C76 VanDerWaalsContact SG-SG 3.67Å; I65-C76 HydrophobicContact CD1-CB 4.19Å; C73-C76 HydrophobicContact CB-CB 4.32Å; C73-C76 PolarHBondContact SG-SG 3.16Å; C76-K80 VanDerWaalsContact O-CB 3.31Å; C76-K80 WeakPolarHBondContact O-CB 2.9Å; C76-K80 PolarHBondContact O-N 3.28Å
77	R	96.6	Very high	92.7	Very high	9 Å²	9	63.2 Å²	63.2	3%	0.034	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-45.1	172.2	-169.4	-170.7	-167.5	157.5	-10.3	112	I23 G40 F44 I65 R70 N71 C73 Q74 H75 K80 C81	I23-R77 HydrophobicContact CG2-CG 4.36Å; G40-R77 PolarHBondContact O-NH2 2.85Å; F44-R77 HydrophobicContact CD1-CG 3.92Å; F44-R77 HydrophobicContact CE1-CB 3.95Å; F44-R77 HydrophobicContact CE1-CG 3.73Å; F44-R77 HydrophobicContact CZ-CB 4.12Å; F44-R77 HydrophobicContact CZ-CG 4.27Å; I65-R77 HydrophobicContact CD1-CB 4.07Å; I65-R77 HydrophobicContact CG2-CG 4.28Å; R70-R77 VanDerWaalsContact O-CD 3.3Å; R70-R77 WeakPolarHBondContact O-CD 3.42Å; R70-R77 PolarHBondContact O-NH1 2.87Å; N71-R77 PolarHBondContact OD1-NH1 3.37Å; C73-R77 WeakPolarHBondContact O-CB 3.4Å; C73-R77 PolarHBondContact O-N 2.91Å; Q74-R77 PolarHBondContact O-N 3.17Å; H75-R77 VanDerWaalsContact C-N 3.28Å; H75-R77 PolarHBondContact O-N 3.08Å; R77-K80 PolarHBondContact O-N 3.28Å; R77-C81 PolarHBondContact O-N 2.95Å; R77-C81 PolarHBondContact O-SG 3.4Å
78	L	94.7	Very high	92.2	Very high	18 Å²	18	62.2 Å²	62.2	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-66.9	-43.9	179	-176.2	61.6	0	0	0	111.4	F44 F45 Y55 Q74 H75 K80 C81 L82	F44-L78 HydrophobicContact CE1-CB 3.87Å; F44-L78 HydrophobicContact CE1-CD1 4.25Å; F44-L78 HydrophobicContact CZ-CB 4.05Å; F45-L78 HydrophobicContact CD2-CD1 3.97Å; F45-L78 HydrophobicContact CE2-CD1 4.33Å; Y55-L78 HydrophobicContact CD2-CB 4.29Å; Y55-L78 HydrophobicContact CD2-CD2 3.93Å; Y55-L78 HydrophobicContact CE2-CB 4.46Å; Y55-L78 HydrophobicContact CE2-CD2 3.99Å; Q74-L78 WeakPolarHBondContact O-CB 3.32Å; Q74-L78 PolarHBondContact O-N 3.48Å; H75-L78 PolarHBondContact O-N 3.18Å; H75-L78 VanDerWaalsContact O-N 3.12Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 3.15Å; L78-C81 WeakPolarHBondContact O-CB 3.29Å; L78-C81 PolarHBondContact O-N 3.16Å; L78-C81 VanDerWaalsContact O-N 3.12Å; L78-L82 HydrophobicContact CG-CD1 4.23Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.03Å
79	Q	93.7	Very high	91.3	Very high	95 Å²	95	61 Å²	61	44%	0.444	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-44.2	173.9	-69.5	-61.4	-15.2	0	0	111.4	H75 C81 L82 A83	H75-Q79 WeakPolarHBondContact O-CG 3.38Å; H75-Q79 PolarHBondContact O-N 3.4Å; Q79-C81 VanDerWaalsContact C-N 3.32Å; Q79-C81 PolarHBondContact O-N 2.99Å; Q79-L82 PolarHBondContact O-N 3.44Å; Q79-A83 VanDerWaalsContact O-CB 3.27Å; Q79-A83 WeakPolarHBondContact O-CB 3.38Å; Q79-A83 PolarHBondContact O-N 2.94Å
80	K	95.5	Very high	90.2	Very high	73 Å²	73	61.6 Å²	61.6	32%	0.317	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-33.4	175.1	-169	174.5	-177.7	-173.2	0	113.2	I23 I65 C76 R77 L78 L84	I23-K80 HydrophobicContact CG2-CD 4.45Å; I23-K80 HydrophobicContact CG2-CG 4.47Å; I23-K80 WeakPolarHBondContact O-CD 3.43Å; I23-K80 WeakPolarHBondContact O-CE 3.27Å; I23-K80 PolarHBondContact O-NZ 2.89Å; I65-K80 HydrophobicContact CB-CD 3.94Å; I65-K80 HydrophobicContact CG1-CD 4.22Å; I65-K80 HydrophobicContact CG2-CD 4.46Å; I65-K80 PolarHBondContact O-NZ 3.43Å; C76-K80 VanDerWaalsContact O-CB 3.31Å; C76-K80 WeakPolarHBondContact O-CB 2.9Å; C76-K80 PolarHBondContact O-N 3.28Å; R77-K80 PolarHBondContact O-N 3.28Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 3.15Å; K80-L84 HydrophobicContact CG-CD1 3.95Å; K80-L84 WeakPolarHBondContact O-CB 3.37Å; K80-L84 WeakPolarHBondContact O-CG 3.25Å; K80-L84 PolarHBondContact O-N 2.67Å
81	C	94.5	Very high	88.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-48.2	171.9	-67	0	0	0	0	111.8	I23 F45 R77 L78 Q79 G85 M86	I23-C81 HydrophobicContact CD1-CB 4.48Å; F45-C81 HydrophobicContact CD2-CB 3.64Å; F45-C81 HydrophobicContact CE2-CB 4.16Å; R77-C81 PolarHBondContact O-N 2.95Å; R77-C81 PolarHBondContact O-SG 3.4Å; L78-C81 WeakPolarHBondContact O-CB 3.29Å; L78-C81 PolarHBondContact O-N 3.16Å; L78-C81 VanDerWaalsContact O-N 3.12Å; Q79-C81 VanDerWaalsContact C-N 3.32Å; Q79-C81 PolarHBondContact O-N 2.99Å; C81-G85 PolarHBondContact O-N 2.84Å; C81-M86 HydrophobicContact CB-CB 4.23Å; C81-M86 HydrophobicContact CB-CG 4.19Å; C81-M86 HydrophobicContact CB-SD 3.59Å; C81-M86 VanDerWaalsContact CB-SD 3.59Å; C81-M86 VanDerWaalsContact O-CB 3.26Å; C81-M86 WeakPolarHBondContact O-CB 3.39Å; C81-M86 WeakPolarHBondContact O-CG 3.37Å; C81-M86 PolarHBondContact O-N 3.31Å; C81-M86 VanDerWaalsContact SG-SD 3.7Å
82	L	92.2	Very high	86.9	Confident	69 Å²	69	66 Å²	66	36%	0.361	34%	0.343	S	S	.	.	H	α-helix	trans	-66.7	-46.3	-179.3	-67.5	167.5	0	0	0	111.7	F45 L78 Q79 L84 G85	F45-L82 HydrophobicContact CE2-CD2 3.79Å; F45-L82 HydrophobicContact CE2-CG 4.3Å; F45-L82 HydrophobicContact CZ-CD2 4.24Å; L78-L82 HydrophobicContact CG-CD1 4.23Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.03Å; Q79-L82 PolarHBondContact O-N 3.44Å; L82-L84 PolarHBondContact O-N 3.45Å; L82-G85 WeakPolarHBondContact O-CA 3.45Å; L82-G85 PolarHBondContact O-N 3.08Å
83	A	91.8	Very high	84.7	Confident	88 Å²	88	65 Å²	65	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-62.3	-29.2	179.2	0	0	0	0	0	113.5	Q79 G85	Q79-A83 VanDerWaalsContact O-CB 3.27Å; Q79-A83 WeakPolarHBondContact O-CB 3.38Å; Q79-A83 PolarHBondContact O-N 2.94Å; A83-G85 VanDerWaalsContact C-N 3.29Å
84	L	88.7	Confident	82.6	Confident	80 Å²	80	68.4 Å²	68.4	42%	0.419	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	5.6	173.6	-69.3	171.7	0	0	0	113.5	K22 I23 V35 K80 L82	K22-L84 HydrophobicContact CB-CD1 4.19Å; K22-L84 WeakPolarHBondContact O-CD1 3.34Å; I23-L84 HydrophobicContact CD1-CB 4.23Å; I23-L84 HydrophobicContact CD1-CD1 3.65Å; V35-L84 WeakPolarHBondContact CG2-O 3.46Å; K80-L84 HydrophobicContact CG-CD1 3.95Å; K80-L84 WeakPolarHBondContact O-CB 3.37Å; K80-L84 WeakPolarHBondContact O-CG 3.25Å; K80-L84 PolarHBondContact O-N 2.67Å; L82-L84 PolarHBondContact O-N 3.45Å
85	G	85.7	Confident	80.8	Confident	46 Å²	46	74.6 Å²	74.6	47%	0.474	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	17.7	172.4	0	0	0	0	0	115.9	C81 L82 A83 S87	C81-G85 PolarHBondContact O-N 2.84Å; L82-G85 WeakPolarHBondContact O-CA 3.45Å; L82-G85 PolarHBondContact O-N 3.08Å; A83-G85 VanDerWaalsContact C-N 3.29Å; G85-S87 PolarHBondContact O-N 2.92Å
86	M	91.2	Very high	79.1	Confident	4 Å²	4	76.5 Å²	76.5	2%	0.02	41%	0.409	C	S	.	.			trans	-67.9	122.6	172.4	-65.1	-172	76.8	0	0	110.3	I23 Y33 V35 T37 F45 C81	I23-M86 HydrophobicContact CD1-SD 4.03Å; I23-M86 HydrophobicContact CG1-SD 4.17Å; Y33-M86 HydrophobicContact CD2-CE 3.75Å; Y33-M86 HydrophobicContact CG-CE 4.24Å; Y33-M86 CarbonylContact O-C 3.25Å; Y33-M86 VanDerWaalsContact O-CA 3.32Å; Y33-M86 WeakPolarHBondContact O-CA 3.22Å; V35-M86 HydrophobicContact CB-CG 3.77Å; V35-M86 HydrophobicContact CG2-CB 4.33Å; V35-M86 HydrophobicContact CG2-CG 3.5Å; T37-M86 HydrophobicContact CG2-CE 4.02Å; T37-M86 HydrophobicContact CG2-SD 3.86Å; F45-M86 HydrophobicContact CB-CE 3.78Å; F45-M86 HydrophobicContact CB-SD 4.31Å; F45-M86 HydrophobicContact CD1-CB 4.24Å; F45-M86 HydrophobicContact CD1-CE 3.94Å; F45-M86 HydrophobicContact CD2-CB 3.98Å; F45-M86 HydrophobicContact CD2-CE 4.5Å; F45-M86 HydrophobicContact CD2-SD 4.34Å; F45-M86 HydrophobicContact CE1-CB 3.96Å; F45-M86 HydrophobicContact CE2-CB 3.68Å; F45-M86 HydrophobicContact CG-CB 4.25Å; F45-M86 HydrophobicContact CG-CE 3.82Å; F45-M86 HydrophobicContact CG-SD 4.23Å; F45-M86 VanDerWaalsContact CZ-C 3.47Å; F45-M86 HydrophobicContact CZ-CB 3.68Å; F45-M86 WeakPolarHBondContact CZ-O 3.46Å; C81-M86 HydrophobicContact CB-CB 4.23Å; C81-M86 HydrophobicContact CB-CG 4.19Å; C81-M86 HydrophobicContact CB-SD 3.59Å; C81-M86 VanDerWaalsContact CB-SD 3.59Å; C81-M86 VanDerWaalsContact O-CB 3.26Å; C81-M86 WeakPolarHBondContact O-CB 3.39Å; C81-M86 WeakPolarHBondContact O-CG 3.37Å; C81-M86 PolarHBondContact O-N 3.31Å; C81-M86 VanDerWaalsContact SG-SD 3.7Å
87	S	86.9	Confident	77.4	Confident	48 Å²	48	78.8 Å²	78.8	34%	0.336	43%	0.425	S	S	.	.			trans	-137.6	147.4	-179.1	174.7	0	0	0	0	112.8	Y33 G85 D89	Y33-S87 WeakPolarHBondContact CB-O 3.42Å; Y33-S87 WeakPolarHBondContact CD1-O 3.38Å; Y33-S87 PolarHBondContact O-N 2.62Å; G85-S87 PolarHBondContact O-N 2.92Å; S87-D89 VanDerWaalsContact C-N 3.31Å; S87-D89 PolarHBondContact OG-N 3.29Å
88	R	82.3	Confident	75.7	Confident	147 Å²	147	85.8 Å²	85.8	56%	0.555	46%	0.455	S	S	*	.	S	Bend	trans	-62.6	-38.2	172.2	-69.7	-177.2	66	170.3	-7.3	111.9	Q49 A90 V91	Q49-R88 HydrophobicContact CB-CG 4.18Å; Q49-R88 HydrophobicContact CG-CG 4.49Å; Q49-R88 PolarHBondContact O-NH1 3.45Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 2.93Å; R88-V91 WeakPolarHBondContact O-CB 3.35Å; R88-V91 WeakPolarHBondContact O-CG2 3.33Å; R88-V91 PolarHBondContact O-N 3.32Å
89	D	73.3	Confident	74.3	Confident	91 Å²	91	93.5 Å²	93.5	49%	0.487	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-76.1	-20.4	-175.8	-66.6	-70.9	0	0	0	113.3	S87 V91 K92	S87-D89 VanDerWaalsContact C-N 3.31Å; S87-D89 PolarHBondContact OG-N 3.29Å; D89-V91 PolarHBondContact O-N 3.46Å; D89-V91 VanDerWaalsContact O-N 3.08Å; D89-K92 WeakPolarHBondContact O-CB 3.36Å; D89-K92 PolarHBondContact O-N 3.08Å; D89-K92 IonicContact OD1-NZ 2.62Å; D89-K92 PolarHBondContact OD1-NZ 2.99Å
90	A	67.9	Low	72.7	Confident	35 Å²	35	94.4 Å²	94.4	29%	0.289	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-60.3	-18.3	171.6	0	0	0	0	0	113.2	Y33 R88 K92	Y33-A90 WeakPolarHBondContact O-CB 3.5Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 2.93Å; A90-K92 VanDerWaalsContact C-N 3.27Å; A90-K92 PolarHBondContact O-N 2.92Å
91	V	61.4	Low	71.1	Confident	91 Å²	91	96.2 Å²	96.2	55%	0.552	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-71.9	-19.7	175.2	-172.3	0	0	0	0	112.2	Y33 R88 D89 F93	Y33-V91 HydrophobicContact CD1-CG2 3.45Å; Y33-V91 VanDerWaalsContact CD1-CG2 3.45Å; Y33-V91 HydrophobicContact CE1-CG2 3.59Å; Y33-V91 HydrophobicContact CG-CG2 4.41Å; R88-V91 WeakPolarHBondContact O-CB 3.35Å; R88-V91 WeakPolarHBondContact O-CG2 3.33Å; R88-V91 PolarHBondContact O-N 3.32Å; D89-V91 PolarHBondContact O-N 3.46Å; D89-V91 VanDerWaalsContact O-N 3.08Å; V91-F93 VanDerWaalsContact C-N 3.27Å; V91-F93 PolarHBondContact O-N 3.39Å
92	K	55.7	Low	69.8	Low	165 Å²	165	100 Å²	100	72%	0.717	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-71.5	-18.5	177.9	-69	170.5	176.8	157.8	0	113.3	D89 A90 G94	D89-K92 WeakPolarHBondContact O-CB 3.36Å; D89-K92 PolarHBondContact O-N 3.08Å; D89-K92 IonicContact OD1-NZ 2.62Å; D89-K92 PolarHBondContact OD1-NZ 2.99Å; A90-K92 VanDerWaalsContact C-N 3.27Å; A90-K92 PolarHBondContact O-N 2.92Å; K92-G94 PolarHBondContact O-N 3.42Å
93	F	47.2	Very low	68.8	Low	170 Å²	170	100.5 Å²	100.5	75%	0.746	53%	0.527	S	S	*	.			trans	-89.6	72.4	174.8	-78.9	-86	0	0	0	111.6	V91 R95	V91-F93 VanDerWaalsContact C-N 3.27Å; V91-F93 PolarHBondContact O-N 3.39Å; F93-R95 PolarHBondContact O-N 3.01Å
94	G	51.7	Low	67.5	Low	75 Å²	75	97.2 Å²	97.2	77%	0.773	50%	0.497	S	S	*	.			trans	-63.3	-3.8	-172.3	0	0	0	0	0	117.2	K92	K92-G94 PolarHBondContact O-N 3.42Å
95	R	56.9	Low	66.3	Low	229 Å²	229	97.2 Å²	97.2	86%	0.864	49%	0.492	S	S	*	.	S	Bend	trans	-145.4	120	168.2	-61.5	-176	-174.5	166.4	4.2	108.6	F93 S97	F93-R95 PolarHBondContact O-N 3.01Å; R95-S97 PolarHBondContact O-N 3.41Å
96	M	57.8	Low	65.8	Low	65 Å²	65	97.7 Å²	97.7	32%	0.32	49%	0.492	S	S	.	.			trans	-52.6	137.4	179.4	-68.8	-175.2	-77.6	0	0	112.1	I31 R101 L104	I31-M96 HydrophobicContact CD1-CE 4.17Å; I31-M96 HydrophobicContact CD1-SD 3.37Å; I31-M96 WeakPolarHBondContact CD1-SD 3.35Å; M96-R101 HydrophobicContact CE-CG 4.49Å; M96-R101 PolarHBondContact O-NH2 2.82Å; M96-L104 HydrophobicContact CE-CD2 4.49Å
97	S	59.6	Low	64.8	Low	56 Å²	56	101.1 Å²	101.1	39%	0.392	51%	0.507	S	S	.	.			trans	-57	150.9	169.8	68.6	0	0	0	0	110.7	R95 K99 Q100 R101	R95-S97 PolarHBondContact O-N 3.41Å; S97-K99 VanDerWaalsContact C-N 3.27Å; S97-K99 PolarHBondContact O-N 2.97Å; S97-Q100 PolarHBondContact O-N 3.41Å; S97-Q100 VanDerWaalsContact O-N 3.13Å; S97-Q100 WeakPolarHBondContact OG-CB 3.09Å; S97-Q100 VanDerWaalsContact OG-CD 3.3Å; S97-Q100 VanDerWaalsContact OG-CG 3.3Å; S97-Q100 WeakPolarHBondContact OG-CG 3.48Å; S97-Q100 PolarHBondContact OG-N 2.98Å; S97-Q100 PolarHBondContact OG-OE1 2.94Å; S97-R101 PolarHBondContact O-N 3.11Å
98	K	60.3	Low	63.8	Low	156 Å²	156	99.2 Å²	99.2	68%	0.678	49%	0.494	S	S	*	.	H	α-helix	trans	-53.9	-46.5	178.6	-175.6	178.2	175.7	-172.2	0	110.8	Q100 R101 D102	K98-Q100 PolarHBondContact O-N 3.16Å; K98-R101 WeakPolarHBondContact O-CB 3.41Å; K98-R101 PolarHBondContact O-N 3.31Å; K98-R101 VanDerWaalsContact O-N 3.07Å; K98-D102 WeakPolarHBondContact CG-OD2 3.49Å; K98-D102 PolarHBondContact O-N 3.28Å
99	K	66.3	Low	63.3	Low	180 Å²	180	98 Å²	98	78%	0.783	49%	0.494	S	S	*	.	H	α-helix	trans	-56	-42	176.3	-169.6	174.5	-177.4	177.2	0	114.1	S97 S103	S97-K99 VanDerWaalsContact C-N 3.27Å; S97-K99 PolarHBondContact O-N 2.97Å; K99-S103 WeakPolarHBondContact O-CB 3.36Å; K99-S103 PolarHBondContact O-N 3.17Å
100	Q	60.1	Low	63.5	Low	114 Å²	114	99.8 Å²	99.8	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-70	-36.7	176.4	-75.9	164.6	-47.9	0	0	112.2	S97 K98 L104	S97-Q100 PolarHBondContact O-N 3.41Å; S97-Q100 VanDerWaalsContact O-N 3.13Å; S97-Q100 WeakPolarHBondContact OG-CB 3.09Å; S97-Q100 VanDerWaalsContact OG-CD 3.3Å; S97-Q100 VanDerWaalsContact OG-CG 3.3Å; S97-Q100 WeakPolarHBondContact OG-CG 3.48Å; S97-Q100 PolarHBondContact OG-N 2.98Å; S97-Q100 PolarHBondContact OG-OE1 2.94Å; K98-Q100 PolarHBondContact O-N 3.16Å; Q100-L104 WeakPolarHBondContact O-CB 3.23Å; Q100-L104 PolarHBondContact O-N 3.16Å
101	R	61.6	Low	63.6	Low	111 Å²	111	100.5 Å²	100.5	42%	0.419	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-46.2	176.5	-162.8	-172.6	-49.3	163.7	10.7	111.3	M96 S97 K98 S103 L104 Y105	M96-R101 HydrophobicContact CE-CG 4.49Å; M96-R101 PolarHBondContact O-NH2 2.82Å; S97-R101 PolarHBondContact O-N 3.11Å; K98-R101 WeakPolarHBondContact O-CB 3.41Å; K98-R101 PolarHBondContact O-N 3.31Å; K98-R101 VanDerWaalsContact O-N 3.07Å; R101-S103 VanDerWaalsContact C-N 3.34Å; R101-S103 PolarHBondContact O-N 2.82Å; R101-L104 VanDerWaalsContact O-CB 3.26Å; R101-L104 WeakPolarHBondContact O-CB 3.35Å; R101-L104 PolarHBondContact O-N 3.22Å; R101-L104 VanDerWaalsContact O-N 3.15Å; R101-Y105 HydrophobicContact CG-CD2 4.07Å; R101-Y105 HydrophobicContact CG-CE2 3.86Å; R101-Y105 VanDerWaalsContact O-CD2 3.23Å; R101-Y105 WeakPolarHBondContact O-CD2 3.42Å; R101-Y105 PolarHBondContact O-N 3.48Å
102	D	67.4	Low	63.9	Low	80 Å²	80	100.1 Å²	100.1	43%	0.428	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-38.3	179.8	-58.6	-12.9	0	0	0	110.9	K98 Y105 A106	K98-D102 WeakPolarHBondContact CG-OD2 3.49Å; K98-D102 PolarHBondContact O-N 3.28Å; D102-Y105 PolarHBondContact O-N 3.33Å; D102-A106 PolarHBondContact O-N 3.27Å
103	S	70.5	Confident	64.9	Low	79 Å²	79	97.5 Å²	97.5	55%	0.552	48%	0.477	S	S	*	.	H	α-helix	trans	-62	-40.8	170.9	-171.4	0	0	0	0	112.6	K99 R101 A106 E107	K99-S103 WeakPolarHBondContact O-CB 3.36Å; K99-S103 PolarHBondContact O-N 3.17Å; R101-S103 VanDerWaalsContact C-N 3.34Å; R101-S103 PolarHBondContact O-N 2.82Å; S103-A106 PolarHBondContact O-N 2.92Å; S103-E107 PolarHBondContact O-N 3.36Å
104	L	65.1	Low	66.3	Low	20 Å²	20	94.7 Å²	94.7	11%	0.105	46%	0.462	C	S	.	.	H	α-helix	trans	-61.1	-45.7	174.5	-159.6	77.5	0	0	0	111.2	I16 I31 I36 M96 Q100 R101 E107 V108	I16-L104 HydrophobicContact CD1-CD2 4.12Å; I16-L104 HydrophobicContact CG1-CD2 3.94Å; I31-L104 HydrophobicContact CD1-CD1 3.83Å; I31-L104 HydrophobicContact CD1-CD2 3.78Å; I31-L104 HydrophobicContact CD1-CG 4.46Å; I36-L104 HydrophobicContact CD1-CD1 3.52Å; I36-L104 HydrophobicContact CG1-CD1 3.91Å; M96-L104 HydrophobicContact CE-CD2 4.49Å; Q100-L104 WeakPolarHBondContact O-CB 3.23Å; Q100-L104 PolarHBondContact O-N 3.16Å; R101-L104 VanDerWaalsContact O-CB 3.26Å; R101-L104 WeakPolarHBondContact O-CB 3.35Å; R101-L104 PolarHBondContact O-N 3.22Å; R101-L104 VanDerWaalsContact O-N 3.15Å; L104-E107 PolarHBondContact O-N 3.04Å; L104-V108 WeakPolarHBondContact O-CG2 3.46Å; L104-V108 PolarHBondContact O-N 2.95Å
105	Y	64.3	Low	67	Low	80 Å²	80	93.8 Å²	93.8	31%	0.314	44%	0.439	S	S	.	.	H	α-helix	trans	-61.9	-42.3	177.2	-87	-67.1	0	0	0	112.8	Q15 R101 D102 E107 V108 Q109	Q15-Y105 PolarHBondContact OE1-OH 3.1Å; R101-Y105 HydrophobicContact CG-CD2 4.07Å; R101-Y105 HydrophobicContact CG-CE2 3.86Å; R101-Y105 VanDerWaalsContact O-CD2 3.23Å; R101-Y105 WeakPolarHBondContact O-CD2 3.42Å; R101-Y105 PolarHBondContact O-N 3.48Å; D102-Y105 PolarHBondContact O-N 3.33Å; Y105-E107 VanDerWaalsContact C-N 3.3Å; Y105-E107 PolarHBondContact O-N 3.17Å; Y105-V108 PolarHBondContact O-N 3.34Å; Y105-Q109 WeakPolarHBondContact O-CG 3.34Å; Y105-Q109 PolarHBondContact O-N 2.84Å
106	A	74.9	Confident	67.6	Low	56 Å²	56	88.5 Å²	88.5	46%	0.463	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-38.8	173.8	0	0	0	0	0	111.8	D102 S103 K110	D102-A106 PolarHBondContact O-N 3.27Å; S103-A106 PolarHBondContact O-N 2.92Å; A106-K110 WeakPolarHBondContact O-CB 3.4Å; A106-K110 PolarHBondContact O-N 3.04Å
107	E	69.7	Low	68.2	Low	75 Å²	75	90.4 Å²	90.4	35%	0.35	43%	0.432	S	S	.	.	H	α-helix	trans	-72.4	-34.5	176.6	-160.9	173.4	-172.1	0	0	112.9	K22 S103 L104 Y105 H111	K22-E107 VanDerWaalsContact NZ-CD 3.35Å; K22-E107 IonicContact NZ-OE1 2.84Å; K22-E107 PolarHBondContact NZ-OE1 2.86Å; K22-E107 IonicContact NZ-OE2 2.69Å; K22-E107 PolarHBondContact NZ-OE2 2.94Å; S103-E107 PolarHBondContact O-N 3.36Å; L104-E107 PolarHBondContact O-N 3.04Å; Y105-E107 VanDerWaalsContact C-N 3.3Å; Y105-E107 PolarHBondContact O-N 3.17Å; E107-H111 WeakPolarHBondContact O-CB 3.37Å; E107-H111 PolarHBondContact O-N 3.39Å
108	V	65.9	Low	68.5	Low	8 Å²	8	93.3 Å²	93.3	5%	0.048	44%	0.44	C	S	.	.	H	α-helix	trans	-57.8	-53.4	169.2	173.6	0	0	0	0	110	I19 L104 Y105 K110 H111 Q112	I19-V108 HydrophobicContact CD1-CB 4.42Å; I19-V108 HydrophobicContact CD1-CG2 3.48Å; I19-V108 VanDerWaalsContact CD1-CG2 3.48Å; I19-V108 HydrophobicContact CG1-CG2 4.01Å; L104-V108 WeakPolarHBondContact O-CG2 3.46Å; L104-V108 PolarHBondContact O-N 2.95Å; Y105-V108 PolarHBondContact O-N 3.34Å; V108-K110 PolarHBondContact O-N 3.31Å; V108-H111 PolarHBondContact O-N 3.31Å; V108-H111 VanDerWaalsContact O-N 3.09Å; V108-Q112 HydrophobicContact CG1-CG 4.3Å; V108-Q112 WeakPolarHBondContact O-CG 3.34Å; V108-Q112 PolarHBondContact O-N 3.31Å
109	Q	71.3	Confident	68.6	Low	121 Å²	121	93.3 Å²	93.3	57%	0.565	44%	0.435	S	S	*	.	H	α-helix	trans	-59.3	-46.6	-179.1	-73.5	179.6	-12.5	0	0	111.6	Y105 H111 Q112 Q113	Y105-Q109 WeakPolarHBondContact O-CG 3.34Å; Y105-Q109 PolarHBondContact O-N 2.84Å; Q109-H111 PolarHBondContact O-N 2.84Å; Q109-Q112 PolarHBondContact O-N 3.44Å; Q109-Q113 WeakPolarHBondContact O-CG 3.48Å; Q109-Q113 PolarHBondContact O-N 3.42Å
110	K	77.9	Confident	68.2	Low	130 Å²	130	91.2 Å²	91.2	57%	0.565	43%	0.429	S	S	*	.	H	α-helix	trans	-65.6	-21.7	177.2	-169.2	171.1	-176.2	172.4	0	113.4	A106 V108 R114	A106-K110 WeakPolarHBondContact O-CB 3.4Å; A106-K110 PolarHBondContact O-N 3.04Å; V108-K110 PolarHBondContact O-N 3.31Å; K110-R114 PolarHBondContact O-NE 3.08Å
111	H	69.9	Low	67.9	Low	49 Å²	49	92 Å²	92	23%	0.227	43%	0.432	C	S	.	.	H	α-helix	trans	-85.5	-38.7	172.3	-163.4	30.7	0	0	0	112.1	P20 E107 V108 Q109 R114 L115	P20-H111 WeakPolarHBondContact CD-NE2 3.36Å; E107-H111 WeakPolarHBondContact O-CB 3.37Å; E107-H111 PolarHBondContact O-N 3.39Å; V108-H111 PolarHBondContact O-N 3.31Å; V108-H111 VanDerWaalsContact O-N 3.09Å; Q109-H111 PolarHBondContact O-N 2.84Å; H111-R114 PolarHBondContact O-N 2.64Å; H111-L115 WeakPolarHBondContact O-CB 3.43Å; H111-L115 WeakPolarHBondContact O-CG 3.38Å; H111-L115 PolarHBondContact O-N 3.1Å
112	Q	68.9	Low	67.4	Low	84 Å²	84	93.3 Å²	93.3	39%	0.393	44%	0.443	S	S	.	.	H	α-helix	trans	-62.8	-41.9	174.9	-73.9	178	-20.1	0	0	112.3	V18 V108 Q109 L115 Q116	V18-Q112 HydrophobicContact CG1-CG 4.25Å; V108-Q112 HydrophobicContact CG1-CG 4.3Å; V108-Q112 WeakPolarHBondContact O-CG 3.34Å; V108-Q112 PolarHBondContact O-N 3.31Å; Q109-Q112 PolarHBondContact O-N 3.44Å; Q112-L115 CarbonylContact O-C 3.51Å; Q112-L115 PolarHBondContact O-N 2.9Å; Q112-Q116 PolarHBondContact O-N 2.92Å
113	Q	75.1	Confident	66.4	Low	109 Å²	109	92.8 Å²	92.8	51%	0.509	45%	0.445	S	S	.	.	H	α-helix	trans	-58.1	-51.1	173.2	-75.9	172.1	-25.1	0	0	111.4	Q109 L115 Q116 E117	Q109-Q113 WeakPolarHBondContact O-CG 3.48Å; Q109-Q113 PolarHBondContact O-N 3.42Å; Q113-L115 VanDerWaalsContact C-N 3.26Å; Q113-L115 PolarHBondContact O-N 3.49Å; Q113-Q116 CarbonylContact O-C 3.58Å; Q113-Q116 WeakPolarHBondContact O-CA 3.47Å; Q113-Q116 WeakPolarHBondContact O-CB 3.47Å; Q113-Q116 PolarHBondContact O-N 3.37Å; Q113-E117 WeakPolarHBondContact O-CG 3.48Å; Q113-E117 PolarHBondContact O-N 3.39Å
114	R	77	Confident	65.4	Low	112 Å²	112	90.5 Å²	90.5	42%	0.423	44%	0.435	S	S	.	.	H	α-helix	trans	-59.6	-33.4	176	-76.7	-179.7	-73.3	174	-0.5	113.7	K110 H111 Q116 E117 Q118	K110-R114 PolarHBondContact O-NE 3.08Å; H111-R114 PolarHBondContact O-N 2.64Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; R114-E117 WeakPolarHBondContact CA-OE2 3.48Å; R114-Q118 WeakPolarHBondContact O-CB 3.44Å; R114-Q118 VanDerWaalsContact O-CG 3.29Å; R114-Q118 WeakPolarHBondContact O-CG 3.37Å; R114-Q118 PolarHBondContact O-N 3.44Å
115	L	67.3	Low	64.6	Low	55 Å²	55	95.9 Å²	95.9	29%	0.288	46%	0.459	S	S	.	.	H	α-helix	trans	-78.9	-12	174	-71.9	168.6	0	0	0	113.8	H111 Q112 Q113 R119	H111-L115 WeakPolarHBondContact O-CB 3.43Å; H111-L115 WeakPolarHBondContact O-CG 3.38Å; H111-L115 PolarHBondContact O-N 3.1Å; Q112-L115 CarbonylContact O-C 3.51Å; Q112-L115 PolarHBondContact O-N 2.9Å; Q113-L115 VanDerWaalsContact C-N 3.26Å; Q113-L115 PolarHBondContact O-N 3.49Å; L115-R119 PolarHBondContact O-NE 2.77Å; L115-R119 PolarHBondContact O-NH2 2.9Å
116	Q	69.7	Low	63.7	Low	119 Å²	119	95 Å²	95	56%	0.556	47%	0.469	S	S	*	.	H	α-helix	trans	-88.4	-44.9	167.6	-78.3	179.2	-32.9	0	0	110.3	Q112 Q113 R114 Q118 R119 Q120	Q112-Q116 PolarHBondContact O-N 2.92Å; Q113-Q116 CarbonylContact O-C 3.58Å; Q113-Q116 WeakPolarHBondContact O-CA 3.47Å; Q113-Q116 WeakPolarHBondContact O-CB 3.47Å; Q113-Q116 PolarHBondContact O-N 3.37Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; Q116-Q118 PolarHBondContact O-N 3.12Å; Q116-R119 CarbonylContact O-C 3.57Å; Q116-R119 WeakPolarHBondContact O-CA 3.27Å; Q116-R119 PolarHBondContact O-N 3.21Å; Q116-Q120 WeakPolarHBondContact O-CG 3.47Å; Q116-Q120 PolarHBondContact O-N 3.37Å
117	E	68.6	Low	62.6	Low	104 Å²	104	97.3 Å²	97.3	49%	0.486	47%	0.47	S	S	.	.	H	α-helix	trans	-55.1	-48.1	173.5	-69	163.6	174.1	0	0	111.3	Q113 R114 R119 Q120 Q121	Q113-E117 WeakPolarHBondContact O-CG 3.48Å; Q113-E117 PolarHBondContact O-N 3.39Å; R114-E117 WeakPolarHBondContact CA-OE2 3.48Å; E117-R119 VanDerWaalsContact C-N 3.29Å; E117-R119 PolarHBondContact O-N 3.46Å; E117-Q120 PolarHBondContact O-N 3.02Å; E117-Q121 WeakPolarHBondContact O-CG 3.32Å; E117-Q121 PolarHBondContact O-N 2.84Å
118	Q	66.4	Low	61.7	Low	117 Å²	117	96 Å²	96	55%	0.547	47%	0.472	S	S	.	.	H	α-helix	trans	-63.8	-30.3	175.7	-75.4	179.5	-15.5	0	0	113.4	R114 Q116 Q122	R114-Q118 WeakPolarHBondContact O-CB 3.44Å; R114-Q118 VanDerWaalsContact O-CG 3.29Å; R114-Q118 WeakPolarHBondContact O-CG 3.37Å; R114-Q118 PolarHBondContact O-N 3.44Å; Q116-Q118 PolarHBondContact O-N 3.12Å; Q118-Q122 PolarHBondContact O-N 2.79Å; Q118-Q122 VanDerWaalsContact O-N 3.14Å
119	R	62	Low	61.1	Low	156 Å²	156	101.1 Å²	101.1	59%	0.589	50%	0.499	S	S	*	.	H	α-helix	trans	-77.6	-35	174.6	-102	177.6	-67.1	-150.3	-1.1	112.7	L115 Q116 E117 Q121 Q122 S123	L115-R119 PolarHBondContact O-NE 2.77Å; L115-R119 PolarHBondContact O-NH2 2.9Å; Q116-R119 CarbonylContact O-C 3.57Å; Q116-R119 WeakPolarHBondContact O-CA 3.27Å; Q116-R119 PolarHBondContact O-N 3.21Å; E117-R119 VanDerWaalsContact C-N 3.29Å; E117-R119 PolarHBondContact O-N 3.46Å; R119-Q121 VanDerWaalsContact C-N 3.34Å; R119-Q122 PolarHBondContact O-N 3.46Å; R119-S123 PolarHBondContact O-N 3.34Å; R119-S123 PolarHBondContact O-OG 3.07Å
120	Q	58.6	Low	60.1	Low	137 Å²	137	98.3 Å²	98.3	64%	0.64	50%	0.496	S	S	*	.	H	α-helix	trans	-69.7	-32.7	173.9	-75	176.3	-17.7	0	0	111.6	Q116 E117 S123 G124	Q116-Q120 WeakPolarHBondContact O-CG 3.47Å; Q116-Q120 PolarHBondContact O-N 3.37Å; E117-Q120 PolarHBondContact O-N 3.02Å; Q120-S123 PolarHBondContact O-OG 3.25Å; Q120-G124 WeakPolarHBondContact O-CA 3.41Å; Q120-G124 PolarHBondContact O-N 2.94Å
121	Q	54.3	Low	59	Low	131 Å²	131	99.8 Å²	99.8	61%	0.612	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-46.1	169.1	-75.1	176	-18.9	0	0	111.4	E117 R119 S123 G124 E125	E117-Q121 WeakPolarHBondContact O-CG 3.32Å; E117-Q121 PolarHBondContact O-N 2.84Å; R119-Q121 VanDerWaalsContact C-N 3.34Å; Q121-S123 PolarHBondContact O-N 2.96Å; Q121-G124 PolarHBondContact O-N 3.17Å; Q121-E125 WeakPolarHBondContact O-CG 3.26Å; Q121-E125 PolarHBondContact O-N 2.97Å
122	Q	51	Low	58.3	Low	138 Å²	138	102.1 Å²	102.1	65%	0.645	52%	0.516	S	S	*	.	H	α-helix	trans	-66.1	-35.6	176	-76.5	-175.8	-18.3	0	0	114	Q118 R119 A126	Q118-Q122 PolarHBondContact O-N 2.79Å; Q118-Q122 VanDerWaalsContact O-N 3.14Å; R119-Q122 PolarHBondContact O-N 3.46Å; Q122-A126 PolarHBondContact O-N 3.14Å
123	S	46.2	Very low	57.1	Low	68 Å²	68	107.4 Å²	107.4	48%	0.476	53%	0.533	S	S	.	.	H	α-helix	trans	-72.8	-36	172.6	68.4	0	0	0	0	111.9	R119 Q120 Q121 A126 E127	R119-S123 PolarHBondContact O-N 3.34Å; R119-S123 PolarHBondContact O-OG 3.07Å; Q120-S123 PolarHBondContact O-OG 3.25Å; Q121-S123 PolarHBondContact O-N 2.96Å; S123-A126 PolarHBondContact O-N 3.26Å; S123-E127 WeakPolarHBondContact O-CB 3.4Å; S123-E127 PolarHBondContact O-N 3.16Å
124	G	49.8	Very low	55.7	Low	32 Å²	32	106.7 Å²	106.7	33%	0.33	54%	0.54	S	S	.	.	H	α-helix	trans	-66.1	-37	176.4	0	0	0	0	0	113.1	Q120 Q121 E127 A128	Q120-G124 WeakPolarHBondContact O-CA 3.41Å; Q120-G124 PolarHBondContact O-N 2.94Å; Q121-G124 PolarHBondContact O-N 3.17Å; G124-E127 PolarHBondContact O-N 3.38Å; G124-A128 WeakPolarHBondContact O-CB 3.45Å; G124-A128 PolarHBondContact O-N 3.39Å
125	E	47.8	Very low	54	Low	132 Å²	132	105.1 Å²	105.1	62%	0.617	55%	0.547	S	S	*	.	H	α-helix	trans	-66.4	-41.1	172	-75.6	179.4	154.8	0	0	111.8	Q121 A128 L129	Q121-E125 WeakPolarHBondContact O-CG 3.26Å; Q121-E125 PolarHBondContact O-N 2.97Å; E125-A128 PolarHBondContact O-N 3.14Å; E125-L129 WeakPolarHBondContact O-CB 3.48Å; E125-L129 PolarHBondContact O-N 3.39Å
126	A	46.1	Very low	52.8	Low	63 Å²	63	106.6 Å²	106.6	52%	0.521	56%	0.562	S	S	.	*	H	α-helix	trans	-65.5	-39.4	174.7	0	0	0	0	0	112.6	Q122 S123 A130	Q122-A126 PolarHBondContact O-N 3.14Å; S123-A126 PolarHBondContact O-N 3.26Å; A126-A130 PolarHBondContact O-N 3.31Å; A126-A130 VanDerWaalsContact O-N 3.16Å
127	E	50.7	Low	51.6	Low	103 Å²	103	108.2 Å²	108.2	48%	0.481	57%	0.572	S	S	.	*	H	α-helix	trans	-72.9	-35.9	176.8	-158.3	-169.5	133.4	0	0	112.1	S123 G124 A130 R131	S123-E127 WeakPolarHBondContact O-CB 3.4Å; S123-E127 PolarHBondContact O-N 3.16Å; G124-E127 PolarHBondContact O-N 3.38Å; E127-A130 WeakPolarHBondContact O-CB 3.49Å; E127-A130 PolarHBondContact O-N 3.32Å; E127-R131 WeakPolarHBondContact O-CG 3.33Å; E127-R131 PolarHBondContact O-N 3.11Å; E127-R131 IonicContact OE1-CZ 2.76Å; E127-R131 IonicContact OE1-NE 2.79Å; E127-R131 IonicContact OE1-NH2 2.91Å; E127-R131 PolarHBondContact OE1-NH2 2.88Å
128	A	52.1	Low	50	Low	49 Å²	49	107.6 Å²	107.6	41%	0.405	58%	0.58	S	S	.	*	H	α-helix	trans	-64.6	-42.7	173.1	0	0	0	0	0	111.7	G124 E125 A130 R131 V132	G124-A128 WeakPolarHBondContact O-CB 3.45Å; G124-A128 PolarHBondContact O-N 3.39Å; E125-A128 PolarHBondContact O-N 3.14Å; A128-A130 VanDerWaalsContact C-N 3.29Å; A128-A130 PolarHBondContact O-N 2.89Å; A128-R131 PolarHBondContact O-N 3.45Å; A128-V132 WeakPolarHBondContact O-CG2 3.42Å; A128-V132 PolarHBondContact O-N 3.44Å
129	L	51.7	Low	48.5	Very low	115 Å²	115	109.8 Å²	109.8	60%	0.602	60%	0.595	S	S	*	*	H	α-helix	trans	-59	-39.2	172.5	-98.5	151.8	0	0	0	112.3	E125 Y133	E125-L129 WeakPolarHBondContact O-CB 3.48Å; E125-L129 PolarHBondContact O-N 3.39Å; L129-Y133 PolarHBondContact O-N 3.17Å
130	A	51.7	Low	47.1	Very low	62 Å²	62	106 Å²	106	51%	0.512	60%	0.604	S	S	.	*	H	α-helix	trans	-66.2	-40	174.6	0	0	0	0	0	112.7	A126 E127 A128 Y133 S134	A126-A130 PolarHBondContact O-N 3.31Å; A126-A130 VanDerWaalsContact O-N 3.16Å; E127-A130 WeakPolarHBondContact O-CB 3.49Å; E127-A130 PolarHBondContact O-N 3.32Å; A128-A130 VanDerWaalsContact C-N 3.29Å; A128-A130 PolarHBondContact O-N 2.89Å; A130-Y133 PolarHBondContact O-N 2.94Å; A130-S134 PolarHBondContact O-N 3.28Å
131	R	54.3	Low	45.8	Very low	161 Å²	161	107.6 Å²	107.6	61%	0.608	62%	0.616	S	S	*	*	H	α-helix	trans	-67	-40.5	176.7	-67.9	-172.9	-151.2	156.9	5	112.6	E127 A128 Y133 S134 S135	E127-R131 WeakPolarHBondContact O-CG 3.33Å; E127-R131 PolarHBondContact O-N 3.11Å; E127-R131 IonicContact OE1-CZ 2.76Å; E127-R131 IonicContact OE1-NE 2.79Å; E127-R131 IonicContact OE1-NH2 2.91Å; E127-R131 PolarHBondContact OE1-NH2 2.88Å; A128-R131 PolarHBondContact O-N 3.45Å; R131-Y133 VanDerWaalsContact C-N 3.3Å; R131-Y133 PolarHBondContact O-N 3.1Å; R131-S134 PolarHBondContact O-N 3.05Å; R131-S135 PolarHBondContact O-N 2.71Å; R131-S135 PolarHBondContact O-OG 2.8Å; R131-S135 VanDerWaalsContact O-OG 3.06Å
132	V	54.2	Low	44.7	Very low	98 Å²	98	105.8 Å²	105.8	59%	0.594	62%	0.618	S	S	*	*	H	α-helix	trans	-62.8	-36	178.6	172.7	0	0	0	0	111.9	A128 S135	A128-V132 WeakPolarHBondContact O-CG2 3.42Å; A128-V132 PolarHBondContact O-N 3.44Å; V132-S135 PolarHBondContact O-OG 3.29Å
133	Y	43.8	Very low	43.8	Very low	194 Å²	194	106.8 Å²	106.8	76%	0.761	63%	0.628	S	S	*	*	H	α-helix	trans	-75.1	-19.4	173.6	-99.2	-83	0	0	0	114.5	L129 A130 R131 S136	L129-Y133 PolarHBondContact O-N 3.17Å; A130-Y133 PolarHBondContact O-N 2.94Å; R131-Y133 VanDerWaalsContact C-N 3.3Å; R131-Y133 PolarHBondContact O-N 3.1Å; Y133-S136 PolarHBondContact O-OG 2.89Å
134	S	45.5	Very low	43.1	Very low	94 Å²	94	110.9 Å²	110.9	66%	0.657	64%	0.644	S	S	*	*	H	α-helix	trans	-93.9	-19.3	178	-167.6	0	0	0	0	113.8	A130 R131	A130-S134 PolarHBondContact O-N 3.28Å; R131-S134 PolarHBondContact O-N 3.05Å
135	S	42.3	Very low	42.1	Very low	80 Å²	80	116.3 Å²	116.3	56%	0.559	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-6.6	-177.6	54	0	0	0	0	114.8	R131 V132 I137	R131-S135 PolarHBondContact O-N 2.71Å; R131-S135 PolarHBondContact O-OG 2.8Å; R131-S135 VanDerWaalsContact O-OG 3.06Å; V132-S135 PolarHBondContact O-OG 3.29Å; S135-I137 PolarHBondContact O-N 3.36Å
136	S	41.4	Very low	41.3	Very low	86 Å²	86	115.9 Å²	115.9	60%	0.601	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	0.5	179.1	35.2	0	0	0	0	114.5	Y133	Y133-S136 PolarHBondContact O-OG 2.89Å
137	I	44.8	Very low	40.4	Very low	152 Å²	152	121.1 Å²	121.1	78%	0.779	69%	0.686	S	S	*	*	S	Bend	trans	-128.6	61.7	172.4	-51.3	-71.5	0	0	0	110.1	S135	S135-I137 PolarHBondContact O-N 3.36Å
138	S	35.4	Very low	39.3	Very low	91 Å²	91	121.4 Å²	121.4	64%	0.636	70%	0.699	S	S	*	*	S	Bend	trans	-156.3	102	157.8	-31.8	0	0	0	0	113.3
139	N	35.6	Very low	37.9	Very low	164 Å²	164	123.2 Å²	123.2	88%	0.877	72%	0.722	S	S	*	*			trans	45.8	102.1	143	-57.1	-9	0	0	0	119.3
140	G	32.6	Very low	36.6	Very low	75 Å²	75	121.7 Å²	121.7	77%	0.773	73%	0.734	S	S	*	*			trans	-77.1	-157.9	158.9	0	0	0	0	0	115.3
141	L	31.5	Very low	35.3	Very low	171 Å²	171	124.1 Å²	124.1	90%	0.895	74%	0.743	S	S	*	*			trans	79	105.6	176.7	-135.7	80.1	0	0	0	116.5
142	S	31.1	Very low	34	Very low	94 Å²	94	126.8 Å²	126.8	66%	0.657	76%	0.755	S	S	*	*				166.6	122.6	107.1	-69.6	0	0	0	0	114.7
143	N	30.6	Very low	32.7	Very low	158 Å²	158	126.5 Å²	126.5	85%	0.845	76%	0.763	S	S	*	*			trans	73.9	125.7	143.9	-56.5	-13.7	0	0	0	122.9
144	L	31.6	Very low	31.8	Very low	155 Å²	155	124.8 Å²	124.8	81%	0.812	77%	0.767	S	S	*	*			trans	-84.4	163.3	158.2	-58.3	91.4	0	0	0	110.6
145	N	30.3	Very low	30.8	Very low	145 Å²	145	123.1 Å²	123.1	78%	0.775	77%	0.765	S	S	*	*				175.1	137.4	111.1	-98.5	-2.5	0	0	0	117.7
146	T	30	Very low	30	Very low	124 Å²	124	127 Å²	127	76%	0.761	77%	0.773	S	S	*	*			trans	81.6	155	136.7	-48.7	0	0	0	0	121.6
147	E	27.1	Very low	29.2	Very low	172 Å²	172	128.4 Å²	128.4	80%	0.804	78%	0.779	S	S	*	*			trans	-113.7	-177.2	-150.7	-48.5	167.1	109.1	0	0	115.4
148	S	27.3	Very low	28.3	Very low	109 Å²	109	127.8 Å²	127.8	76%	0.762	78%	0.775	S	S	*	*			trans	101.2	108.3	136.6	-73.7	0	0	0	0	121.5
149	G	23.3	Very low	27.7	Very low	87 Å²	87	130.9 Å²	130.9	90%	0.897	79%	0.785	S	S	*	*				91.4	134.3	117.6	0	0	0	0	0	120.2
150	G	24.6	Very low	27.2	Very low	83 Å²	83	129.8 Å²	129.8	86%	0.856	78%	0.778	S	S	*	*			trans	146.9	125.8	160.7	0	0	0	0	0	115.9
151	T	25.1	Very low	27	Very low	113 Å²	113	132 Å²	132	69%	0.693	78%	0.779	S	S	*	*			trans	-120.2	167.6	-179.8	38.6	0	0	0	0	113.3
152	Y	26.7	Very low	26.6	Very low	217 Å²	217	131.8 Å²	131.8	85%	0.851	77%	0.771	S	S	*	*			trans	108.4	121.1	152.4	-57.9	-66	0	0	0	120
153	A	26.2	Very low	26.3	Very low	93 Å²	93	131.8 Å²	131.8	77%	0.769	77%	0.77	S	S	*	*			trans	54.2	146.5	136.9	0	0	0	0	0	119.9
154	N	25.5	Very low	25.9	Very low	157 Å²	157	132 Å²	132	84%	0.84	77%	0.766	S	S	*	*			cis	179.3	170.1	40.5	-156.7	-1.2	0	0	0	109.5
155	G	24.6	Very low	25.5	Very low	60 Å²	60	128.1 Å²	128.1	62%	0.619	76%	0.764	S	S	*	*			trans	126.9	85.4	149.8	0	0	0	0	0	122.7
156	H	25.3	Very low	25.1	Very low	160 Å²	160	130.7 Å²	130.7	74%	0.741	76%	0.764	S	S	*	*				64.2	117.7	117.1	-85.6	-66.8	0	0	0	126.4
157	V	24.4	Very low	24.9	Very low	117 Å²	117	134.5 Å²	134.5	71%	0.709	77%	0.766	S	S	*	*				52	160.3	129.6	-63.8	0	0	0	0	122.3
158	I	26.2	Very low	24.7	Very low	139 Å²	139	133.3 Å²	133.3	71%	0.713	77%	0.765	S	S	*	*			cis	-159.2	152.2	-4.2	-117.8	158.5	0	0	0	107.3
159	D	23.1	Very low	24.5	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	76%	0.764	S	S	*	*				164.5	155	115.7	-122.1	-31.7	0	0	0	116.3
160	L	24.7	Very low	24.4	Very low	142 Å²	142	137.2 Å²	137.2	74%	0.743	76%	0.756	S	S	*	*			trans	-153.2	147.6	179.3	178.6	76.4	0	0	0	109.8
161	P	28.5	Very low	24.4	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	75%	0.752	S	S	*	*			trans	-119.9	123	149.7	15.4	4.6	0	0	0	114.4
162	K	23.5	Very low	24.2	Very low	167 Å²	167	137 Å²	137	73%	0.726	76%	0.758	S	S	*	*			trans	-17.8	158	145.8	-45.2	170.9	178.3	178.5	0	115.6
163	S	23.2	Very low	24	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	76%	0.759	S	S	*	*				-175.3	166.3	50.6	-87.8	0	0	0	0	108.3
164	E	22.1	Very low	24.2	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.762	76%	0.758	S	S	*	*			cis	-174.5	159.4	-25.2	-110.2	148.8	179.6	0	0	108
165	G	24.4	Very low	24.3	Very low	74 Å²	74	134.1 Å²	134.1	76%	0.763	75%	0.753	S	S	*	*			trans	147.4	138.3	159.6	0	0	0	0	0	115.9
166	Y	22.1	Very low	24.6	Very low	198 Å²	198	137.3 Å²	137.3	78%	0.776	76%	0.763	S	S	*	*			trans	-137	170.2	-161.6	-105.8	-91.4	0	0	0	114.6
167	Y	24.4	Very low	24.6	Very low	205 Å²	205	136.4 Å²	136.4	80%	0.804	76%	0.763	S	S	*	*			trans	102.8	170.2	153.9	-46.8	-58.6	0	0	0	119.2
168	N	22.5	Very low	24.7	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	77%	0.768	S	S	*	*				-132.7	159.7	-129.2	-110.6	-18.1	0	0	0	115
169	I	23.7	Very low	24.7	Very low	142 Å²	142	138.3 Å²	138.3	73%	0.728	78%	0.775	S	S	*	*			trans	36.3	132.2	138.4	-75	170	0	0	0	118.8
170	D	22.1	Very low	24.8	Very low	137 Å²	137	134.2 Å²	134.2	73%	0.733	77%	0.769	S	S	*	*				-175.6	169.8	55.6	-147.5	-35.4	0	0	0	114.5
171	S	23	Very low	25	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	78%	0.78	S	S	*	*			trans	72.2	137.6	138.3	-77.3	0	0	0	0	125.7
172	G	22.5	Very low	24.8	Very low	80 Å²	80	137.4 Å²	137.4	83%	0.825	78%	0.779	S	S	*	*			trans	141.3	115.1	148.4	0	0	0	0	0	119.3
173	Q	22.6	Very low	25	Very low	189 Å²	189	136 Å²	136	88%	0.883	78%	0.777	S	S	*	*			trans	-89.2	-172	165.5	-76.9	-125.2	-46.8	0	0	111.9
174	P	29.9	Very low	25.1	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	78%	0.783	S	S	*	*			cis	-137.4	-164.4	-0.2	34.1	-9.3	0	0	0	116
175	S	27.7	Very low	25.3	Very low	105 Å²	105	133.1 Å²	133.1	73%	0.734	78%	0.781	S	S	*	*			trans	-67.7	-179.1	174.4	-41.9	0	0	0	0	116.4
176	P	30.4	Very low	25.3	Very low	126 Å²	126	137.1 Å²	137.1	82%	0.818	78%	0.783	S	S	*	*				-142.4	167	119.9	39	-26.2	0	0	0	116.8
177	D	24.6	Very low	25.5	Very low	141 Å²	141	136.5 Å²	136.5	75%	0.754	78%	0.784	S	S	*	*			trans	-82.6	177.5	-178	-46.1	-71.1	0	0	0	115
178	Q	26.8	Very low	25.8	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	79%	0.787	S	S	*	*				157	164.1	89.6	-138.5	165.5	84.9	0	0	116.2
179	S	27.7	Very low	25.8	Very low	123 Å²	123	136.8 Å²	136.8	86%	0.86	79%	0.792	S	S	*	*			trans	79.7	142.8	170.3	76.7	0	0	0	0	118.3
180	G	24.5	Very low	26	Very low	68 Å²	68	139.2 Å²	139.2	70%	0.701	80%	0.798	S	S	*	*			cis	155.8	155.5	-9.5	0	0	0	0	0	113.8
181	L	28.1	Very low	26	Very low	186 Å²	186	142.2 Å²	142.2	97%	0.974	81%	0.807	S	S	*	*			trans	96.3	167.2	169.7	-54.6	177.2	0	0	0	119.4
182	D	25.7	Very low	26.3	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	81%	0.809	S	S	*	*			trans	-141.4	178.2	-135.3	-155.3	-11.8	0	0	0	113.3
183	M	27	Very low	26.3	Very low	138 Å²	138	146.9 Å²	146.9	68%	0.68	81%	0.805	S	S	*	*			trans	81.7	106.8	164.3	-75	-71.7	107.7	0	0	123.2
184	T	26.3	Very low	26.6	Very low	125 Å²	125	143.7 Å²	143.7	77%	0.767	79%	0.793	S	S	*	*			trans	37.5	127.2	130.9	61.6	0	0	0	0	123.6
185	G	24.3	Very low	26.3	Very low	70 Å²	70	148.1 Å²	148.1	72%	0.722	80%	0.796	S	S	*	*				130.1	114.3	123.7	0	0	0	0	0	121.1
186	I	25.7	Very low	26.1	Very low	158 Å²	158	149.9 Å²	149.9	81%	0.81	80%	0.797	S	S	*	*			trans	80.6	111.9	142	-60	177.9	0	0	0	120.7
187	K	26.3	Very low	26.1	Very low	185 Å²	185	152 Å²	152	80%	0.804	80%	0.801	S	S	*	*			trans	60.1	120.9	145	-67.6	175.6	-176.5	179.3	0	122.9
188	Q	30.1	Very low	26.5	Very low	182 Å²	182	150.8 Å²	150.8	85%	0.85	80%	0.799	S	S	*	*			trans	38.7	115.8	135.7	-71.6	-178.8	-23.7	0	0	120.3
189	I	23.8	Very low	26.4	Very low	175 Å²	175	147.4 Å²	147.4	90%	0.897	79%	0.794	S	S	*	*				-163.5	152.9	126	-98.2	148.3	0	0	0	109
190	K	27.1	Very low	26.6	Very low	194 Å²	194	147 Å²	147	84%	0.843	79%	0.786	S	S	*	*			trans	-77.1	127.8	176.5	-72.3	175.7	170.6	-179.2	0	111.8
191	Q	21.9	Very low	26.9	Very low	199 Å²	199	147.8 Å²	147.8	93%	0.93	78%	0.779	S	S	*	*				-174.4	165	124.9	-105.4	170.1	-15	0	0	111.1
192	E	29.8	Very low	27.2	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.822	77%	0.768	S	S	*	*			trans	-68	165.2	-167.2	-57.5	-175.1	164.6	0	0	114.6
193	P	22.3	Very low	28	Very low	112 Å²	112	140.8 Å²	140.8	73%	0.727	74%	0.743	S	S	*	*				-137.4	145.4	106.4	39.6	-30.1	0	0	0	115.3
194	I	28.7	Very low	28.6	Very low	122 Å²	122	141.9 Å²	141.9	63%	0.626	74%	0.744	S	S	*	*			trans	-11.5	128.6	131.5	-24.8	-179.5	0	0	0	111.2
195	Y	24.4	Very low	29.1	Very low	208 Å²	208	141.4 Å²	141.4	82%	0.816	74%	0.741	S	S	*	*			cis	-152.2	124.3	38.5	-14.3	-102.5	0	0	0	108.4
196	D	22.7	Very low	30	Very low	141 Å²	141	141.5 Å²	141.5	75%	0.754	72%	0.72	S	S	*	*			trans	-121.9	104.9	171.7	-164.2	-1	0	0	0	109.2	T198	D196-T198 VanDerWaalsContact C-N 3.27Å; D196-T198 PolarHBondContact O-N 3.42Å
197	L	31	Very low	30.3	Very low	170 Å²	170	138.9 Å²	138.9	89%	0.89	72%	0.716	S	S	*	*			trans	-92.4	36	-167.7	-153.7	84.6	0	0	0	112.9
198	T	31.4	Very low	30.5	Very low	116 Å²	116	134.9 Å²	134.9	71%	0.712	71%	0.711	S	S	*	*			trans	-133.7	56.4	170.8	51.1	0	0	0	0	112	D196 V200	D196-T198 VanDerWaalsContact C-N 3.27Å; D196-T198 PolarHBondContact O-N 3.42Å; T198-V200 PolarHBondContact O-N 3.47Å; T198-V200 VanDerWaalsContact O-N 3.09Å
199	S	25.8	Very low	31	Very low	103 Å²	103	130.9 Å²	130.9	72%	0.72	69%	0.691	S	S	*	*			trans	-73.5	99.1	170.4	63.8	0	0	0	0	111	P201	S199-P201 VanDerWaalsContact O-CD 3.3Å; S199-P201 WeakPolarHBondContact O-CD 3.31Å
200	V	31.5	Very low	31.5	Very low	114 Å²	114	129.7 Å²	129.7	69%	0.691	69%	0.687	S	S	*	*			trans	-104	81.3	150.3	-174	0	0	0	0	107	T198 N202	T198-V200 PolarHBondContact O-N 3.47Å; T198-V200 VanDerWaalsContact O-N 3.09Å; V200-N202 PolarHBondContact O-N 3.33Å
201	P	31.7	Very low	31.8	Very low	85 Å²	85	127.5 Å²	127.5	55%	0.552	68%	0.684	S	S	*	*			trans	-79.2	125.9	-169.8	30.7	-32.2	0	0	0	112	S199 L203	S199-P201 VanDerWaalsContact O-CD 3.3Å; S199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-L203 PolarHBondContact O-N 2.95Å
202	N	33.1	Very low	32.7	Very low	141 Å²	141	120.9 Å²	120.9	75%	0.754	67%	0.669	S	S	*	*	S	Bend	trans	72.7	17.3	154.8	-57	-20.4	0	0	0	120.2	V200 F204	V200-N202 PolarHBondContact O-N 3.33Å; N202-F204 PolarHBondContact O-N 3.41Å
203	L	42.4	Very low	33.1	Very low	43 Å²	43	121.4 Å²	121.4	23%	0.225	67%	0.672	C	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-23.1	164.3	-103.2	159.1	0	0	0	113.2	P201 T205 Y206 Y400	P201-L203 PolarHBondContact O-N 2.95Å; L203-T205 PolarHBondContact O-N 3.09Å; L203-Y206 WeakPolarHBondContact O-CD2 3.22Å; L203-Y400 HydrophobicContact CD2-CE2 4.28Å
204	F	40.8	Very low	34.6	Very low	160 Å²	160	118.7 Å²	118.7	70%	0.702	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	41.6	-175.1	-66.2	-75.9	0	0	0	114.7	N202 I421	N202-F204 PolarHBondContact O-N 3.41Å; F204-I421 HydrophobicContact CE1-CG2 4.47Å; F204-I421 HydrophobicContact CZ-CG2 3.9Å
205	T	36.4	Very low	35.7	Very low	115 Å²	115	115.1 Å²	115.1	71%	0.706	64%	0.639	S	S	*	*			trans	-101.3	20.5	157.6	-19.1	0	0	0	0	112	L203 S207	L203-T205 PolarHBondContact O-N 3.09Å; T205-S207 PolarHBondContact O-N 3.4Å
206	Y	42.7	Very low	36.7	Very low	72 Å²	72	112.1 Å²	112.1	28%	0.282	65%	0.645	S	S	.	*			trans	-64.1	81.9	154.4	-81.4	-81.4	0	0	0	108.3	L203 S208 Y400 F401	L203-Y206 WeakPolarHBondContact O-CD2 3.22Å; Y206-S208 PolarHBondContact O-N 2.85Å; Y206-Y400 WeakPolarHBondContact OH-CB 3.02Å; Y206-F401 HydrophobicContact CD1-CE1 4.31Å; Y206-F401 HydrophobicContact CE1-CD1 4.07Å; Y206-F401 AromaticContact CE1-CE1 3.7Å; Y206-F401 HydrophobicContact CE1-CE1 3.7Å; Y206-F401 HydrophobicContact CE1-CZ 4.19Å
207	S	31.9	Very low	38.6	Very low	104 Å²	104	108.9 Å²	108.9	73%	0.727	65%	0.645	S	S	*	*			trans	-46.1	125.4	163.8	47.6	0	0	0	0	108.3	T205	T205-S207 PolarHBondContact O-N 3.4Å
208	S	31.8	Very low	40.4	Very low	101 Å²	101	102.2 Å²	102.2	71%	0.706	61%	0.61	S	S	*	*			trans	-45.1	150.2	169.7	-48.5	0	0	0	0	110.3	Y206 N210	Y206-S208 PolarHBondContact O-N 2.85Å; S208-N210 PolarHBondContact O-N 3.1Å
209	F	39.3	Very low	43	Very low	98 Å²	98	100.2 Å²	100.2	43%	0.43	60%	0.598	S	S	.	*			trans	-66.6	51.6	178.9	-107.3	-93.2	0	0	0	113.4	N211 Q404	F209-N211 PolarHBondContact O-N 3.43Å; F209-Q404 HydrophobicContact CE2-CG 4.37Å
210	N	34.8	Very low	45.8	Very low	150 Å²	150	99 Å²	99	80%	0.802	58%	0.582	S	S	*	*	S	Bend	trans	-71.6	93.6	165.4	-103.9	1.2	0	0	0	108.2	S208	S208-N210 PolarHBondContact O-N 3.1Å
211	N	33.4	Very low	48.5	Very low	147 Å²	147	98.5 Å²	98.5	79%	0.786	58%	0.579	S	S	*	*	S	Bend	trans	65.1	59.3	170.2	-62.6	-21	0	0	0	117	F209 Q213	F209-N211 PolarHBondContact O-N 3.43Å; N211-Q213 PolarHBondContact O-N 3.31Å
212	G	40.8	Very low	51.3	Low	61 Å²	61	97.4 Å²	97.4	63%	0.629	57%	0.567	S	S	*	*			trans	59.6	11.4	142.1	0	0	0	0	0	119.1	L214	G212-L214 PolarHBondContact O-N 3.13Å
213	Q	39.2	Very low	54	Low	187 Å²	187	90.9 Å²	90.9	87%	0.874	53%	0.532	S	S	*	.			trans	-89.7	94.3	177.8	-75.2	-170.9	-14	0	0	110.4	N211	N211-Q213 PolarHBondContact O-N 3.31Å
214	L	51.9	Low	56.4	Low	54 Å²	54	91.9 Å²	91.9	28%	0.283	54%	0.538	S	S	.	.			trans	-49.8	143.6	158.2	-74.5	155.4	0	0	0	110	G212 I218 M220 I223	G212-L214 PolarHBondContact O-N 3.13Å; L214-I218 WeakPolarHBondContact CB-O 3.43Å; L214-I218 HydrophobicContact CD2-CG2 4.48Å; L214-M220 HydrophobicContact CD1-CE 4.45Å; L214-I223 HydrophobicContact CD2-CD1 3.4Å
215	A	52.8	Low	58.9	Low	47 Å²	47	92.4 Å²	92.4	39%	0.388	54%	0.535	S	S	.	.			trans	-53.5	144.5	175.6	0	0	0	0	0	110.9	G217 I218	A215-G217 PolarHBondContact O-N 3.42Å; A215-I218 PolarHBondContact O-N 3.16Å
216	P	46.3	Very low	61.7	Low	145 Å²	145	87.4 Å²	87.4	94%	0.942	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	104.3	-169.2	-26	34.4	0	0	0	113.2
217	G	61.5	Low	64.3	Low	73 Å²	73	84.1 Å²	84.1	75%	0.753	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.7	-4.8	175	0	0	0	0	0	117.1	A215	A215-G217 PolarHBondContact O-N 3.42Å
218	I	69.3	Low	67.4	Low	30 Å²	30	84.6 Å²	84.6	15%	0.154	48%	0.482	C	S	.	.			trans	-96.3	127.1	173.2	-57.2	175.2	0	0	0	109.4	L214 A215 I223 K398 F401	L214-I218 WeakPolarHBondContact CB-O 3.43Å; L214-I218 HydrophobicContact CD2-CG2 4.48Å; A215-I218 PolarHBondContact O-N 3.16Å; I218-I223 HydrophobicContact CG2-CD1 3.81Å; I218-I223 HydrophobicContact CG2-CG1 3.77Å; I218-K398 HydrophobicContact CD1-CG 4.19Å; I218-F401 HydrophobicContact CD1-CD2 4.21Å; I218-F401 HydrophobicContact CD1-CE2 4.07Å
219	T	84.9	Confident	70.5	Confident	74 Å²	74	81.7 Å²	81.7	45%	0.454	46%	0.459	S	S	.	.			trans	-99.4	150.7	174.9	64.7	0	0	0	0	111.4	T221 E222 I223	T219-T221 PolarHBondContact O-N 3.29Å; T219-T221 PolarHBondContact OG1-OG1 2.67Å; T219-E222 WeakPolarHBondContact O-CB 3.29Å; T219-E222 PolarHBondContact O-N 3.37Å; T219-E222 PolarHBondContact OG1-N 2.93Å; T219-I223 PolarHBondContact O-N 3.06Å
220	M	85.8	Confident	73.3	Confident	77 Å²	77	77 Å²	77	38%	0.379	44%	0.438	S	S	.	.	H	α-helix	trans	-56.9	-37.1	175.2	-164.4	65	77	0	0	111.8	L214 E222 I223 D224	L214-M220 HydrophobicContact CD1-CE 4.45Å; M220-E222 VanDerWaalsContact C-N 3.26Å; M220-E222 PolarHBondContact O-N 3.13Å; M220-I223 WeakPolarHBondContact O-CB 3.17Å; M220-I223 PolarHBondContact O-N 3.28Å; M220-I223 VanDerWaalsContact O-N 3.1Å; M220-I223 HydrophobicContact SD-CD1 4.33Å; M220-D224 PolarHBondContact O-N 3.08Å
221	T	88.1	Confident	76.4	Confident	104 Å²	104	70.3 Å²	70.3	64%	0.638	40%	0.403	S	S	*	.	H	α-helix	trans	-62.9	-25.6	174.5	49.4	0	0	0	0	114.5	T219 R225	T219-T221 PolarHBondContact O-N 3.29Å; T219-T221 PolarHBondContact OG1-OG1 2.67Å; T221-R225 WeakPolarHBondContact O-CB 3.27Å; T221-R225 PolarHBondContact O-N 2.94Å
222	E	89.4	Confident	79.4	Confident	62 Å²	62	69 Å²	69	29%	0.29	39%	0.39	S	S	.	.	H	α-helix	trans	-76.2	-43.2	171.9	-168.4	-175.1	175.7	0	0	110.5	T219 M220 R225 I226 K398	T219-E222 WeakPolarHBondContact O-CB 3.29Å; T219-E222 PolarHBondContact O-N 3.37Å; T219-E222 PolarHBondContact OG1-N 2.93Å; M220-E222 VanDerWaalsContact C-N 3.26Å; M220-E222 PolarHBondContact O-N 3.13Å; E222-R225 PolarHBondContact O-N 3.27Å; E222-I226 HydrophobicContact CG-CD1 4.15Å; E222-I226 WeakPolarHBondContact O-CG1 3.42Å; E222-I226 PolarHBondContact O-N 3.07Å; E222-K398 IonicContact OE1-NZ 2.73Å; E222-K398 PolarHBondContact OE1-NZ 3.46Å; E222-K398 IonicContact OE2-NZ 3.5Å
223	I	90.3	Very high	82.2	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-48.8	176.4	-67.2	168.7	0	0	0	110.4	L214 I218 T219 M220 R225 I226 A227 F401 A402 H405	L214-I223 HydrophobicContact CD2-CD1 3.4Å; I218-I223 HydrophobicContact CG2-CD1 3.81Å; I218-I223 HydrophobicContact CG2-CG1 3.77Å; T219-I223 PolarHBondContact O-N 3.06Å; M220-I223 WeakPolarHBondContact O-CB 3.17Å; M220-I223 PolarHBondContact O-N 3.28Å; M220-I223 VanDerWaalsContact O-N 3.1Å; M220-I223 HydrophobicContact SD-CD1 4.33Å; I223-R225 VanDerWaalsContact C-N 3.29Å; I223-R225 PolarHBondContact O-N 3.27Å; I223-I226 PolarHBondContact O-N 3.5Å; I223-I226 VanDerWaalsContact O-N 3.17Å; I223-A227 WeakPolarHBondContact O-CB 3.33Å; I223-A227 PolarHBondContact O-N 2.85Å; I223-F401 HydrophobicContact CD1-CB 3.88Å; I223-F401 HydrophobicContact CG1-CB 4.31Å; I223-A402 HydrophobicContact CG2-CB 3.89Å; I223-H405 HydrophobicContact CG2-CB 4.44Å
224	D	92.3	Very high	84.9	Confident	65 Å²	65	57.4 Å²	57.4	35%	0.348	32%	0.32	S	S	.	.	H	α-helix	trans	-55.7	-43.4	174.5	-73.3	-37.8	0	0	0	111.9	M220 I226 A227 Q228 H405	M220-D224 PolarHBondContact O-N 3.08Å; D224-I226 VanDerWaalsContact C-N 3.34Å; D224-I226 PolarHBondContact O-N 2.89Å; D224-A227 PolarHBondContact O-N 3.41Å; D224-Q228 WeakPolarHBondContact O-CB 3.41Å; D224-Q228 VanDerWaalsContact O-CG 3.27Å; D224-Q228 WeakPolarHBondContact O-CG 3.34Å; D224-Q228 PolarHBondContact O-N 2.8Å; D224-H405 IonicContact OD1-CD2 3.96Å; D224-H405 IonicContact OD1-NE2 3.05Å
225	R	94.4	Very high	87	Confident	170 Å²	170	59.4 Å²	59.4	64%	0.642	33%	0.33	S	S	*	.	H	α-helix	trans	-67	-37.3	-179.7	-158	-173.5	87.9	171.6	5.6	111.9	T221 E222 I223 N229	T221-R225 WeakPolarHBondContact O-CB 3.27Å; T221-R225 PolarHBondContact O-N 2.94Å; E222-R225 PolarHBondContact O-N 3.27Å; I223-R225 VanDerWaalsContact C-N 3.29Å; I223-R225 PolarHBondContact O-N 3.27Å; R225-N229 WeakPolarHBondContact O-CB 3.49Å; R225-N229 PolarHBondContact O-N 2.87Å; R225-N229 VanDerWaalsContact O-N 3.07Å
226	I	94.7	Very high	89	Confident	10 Å²	10	62 Å²	62	5%	0.051	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-47.7	175.5	-70.8	170.9	0	0	0	109.9	E222 I223 D224 Q228 N229 I230 K398	E222-I226 HydrophobicContact CG-CD1 4.15Å; E222-I226 WeakPolarHBondContact O-CG1 3.42Å; E222-I226 PolarHBondContact O-N 3.07Å; I223-I226 PolarHBondContact O-N 3.5Å; I223-I226 VanDerWaalsContact O-N 3.17Å; D224-I226 VanDerWaalsContact C-N 3.34Å; D224-I226 PolarHBondContact O-N 2.89Å; I226-Q228 PolarHBondContact O-N 3.12Å; I226-N229 PolarHBondContact O-N 3.32Å; I226-I230 HydrophobicContact CG2-CD1 3.63Å; I226-I230 WeakPolarHBondContact O-CG1 3.15Å; I226-I230 PolarHBondContact O-N 2.91Å; I226-K398 HydrophobicContact CD1-CB 3.88Å; I226-K398 HydrophobicContact CD1-CD 3.76Å; I226-K398 HydrophobicContact CD1-CG 4.32Å
227	A	96.6	Very high	91.4	Very high	3 Å²	3	55.2 Å²	55.2	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-54.6	-55.9	175.2	0	0	0	0	0	111.3	I223 D224 N229 I230 I231 L372 A402 V406	I223-A227 WeakPolarHBondContact O-CB 3.33Å; I223-A227 PolarHBondContact O-N 2.85Å; D224-A227 PolarHBondContact O-N 3.41Å; A227-N229 VanDerWaalsContact C-N 3.29Å; A227-N229 PolarHBondContact O-N 3.03Å; A227-I230 PolarHBondContact O-N 2.9Å; A227-I230 VanDerWaalsContact O-N 3.08Å; A227-I231 HydrophobicContact CB-CD1 4.29Å; A227-I231 WeakPolarHBondContact O-CB 3.42Å; A227-I231 WeakPolarHBondContact O-CD1 3.29Å; A227-I231 WeakPolarHBondContact O-CG1 3.3Å; A227-I231 PolarHBondContact O-N 2.92Å; A227-L372 HydrophobicContact CB-CD1 4.38Å; A227-A402 HydrophobicContact CB-CB 4.05Å; A227-V406 HydrophobicContact CB-CG2 4.48Å
228	Q	97.2	Very high	92.9	Very high	114 Å²	114	52.6 Å²	52.6	53%	0.533	26%	0.26	S	S	.	.	H	α-helix	trans	-61.3	-34.9	-179.1	-69.7	-60.7	-37.1	0	0	113	D224 I226 K232	D224-Q228 WeakPolarHBondContact O-CB 3.41Å; D224-Q228 VanDerWaalsContact O-CG 3.27Å; D224-Q228 WeakPolarHBondContact O-CG 3.34Å; D224-Q228 PolarHBondContact O-N 2.8Å; I226-Q228 PolarHBondContact O-N 3.12Å; Q228-K232 WeakPolarHBondContact O-CB 3.42Å; Q228-K232 PolarHBondContact O-N 3.17Å
229	N	98.2	Very high	93.8	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.214	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-45.5	172.5	162.7	-115.9	0	0	0	112.3	R225 I226 A227 S233 R290 T292	R225-N229 WeakPolarHBondContact O-CB 3.49Å; R225-N229 PolarHBondContact O-N 2.87Å; R225-N229 VanDerWaalsContact O-N 3.07Å; I226-N229 PolarHBondContact O-N 3.32Å; A227-N229 VanDerWaalsContact C-N 3.29Å; A227-N229 PolarHBondContact O-N 3.03Å; N229-S233 PolarHBondContact ND2-OG 3.41Å; N229-S233 VanDerWaalsContact O-CB 3.22Å; N229-S233 WeakPolarHBondContact O-CB 3.46Å; N229-S233 PolarHBondContact O-N 3.21Å; N229-S233 PolarHBondContact O-OG 3.39Å; N229-R290 PolarHBondContact ND2-O 3.07Å; N229-R290 PolarHBondContact OD1-O 3.37Å; N229-T292 WeakPolarHBondContact OD1-CB 3.47Å; N229-T292 PolarHBondContact OD1-N 3.27Å; N229-T292 PolarHBondContact OD1-OG1 3.07Å
230	I	98.4	Very high	94.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.3	-46.9	-178.7	-69.1	165.9	0	0	0	110.8	I226 A227 S233 H234 F287 I291 A371 L372 I399	I226-I230 HydrophobicContact CG2-CD1 3.63Å; I226-I230 WeakPolarHBondContact O-CG1 3.15Å; I226-I230 PolarHBondContact O-N 2.91Å; A227-I230 PolarHBondContact O-N 2.9Å; A227-I230 VanDerWaalsContact O-N 3.08Å; I230-S233 PolarHBondContact O-N 2.77Å; I230-H234 WeakPolarHBondContact O-CB 3.31Å; I230-H234 PolarHBondContact O-N 3.05Å; I230-F287 HydrophobicContact CG2-CE2 4.26Å; I230-F287 HydrophobicContact CG2-CZ 4.07Å; I230-I291 HydrophobicContact CD1-CG2 4.37Å; I230-I291 HydrophobicContact CG1-CG1 4.47Å; I230-I291 HydrophobicContact CG1-CG2 4.15Å; I230-A371 HydrophobicContact CG2-CB 4.17Å; I230-A371 WeakPolarHBondContact CG2-O 3.43Å; I230-L372 HydrophobicContact CB-CD2 4.19Å; I230-L372 HydrophobicContact CD1-CD2 3.83Å; I230-L372 HydrophobicContact CG2-CD2 4.07Å; I230-L372 HydrophobicContact CG2-CG 4.31Å; I230-I399 HydrophobicContact CD1-CG1 3.86Å; I230-I399 HydrophobicContact CD1-CG2 4.24Å
231	I	98	Very high	94.5	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-52.1	177.3	-63.4	164.3	0	0	0	109.9	A227 S233 H234 L235 E368 A371	A227-I231 HydrophobicContact CB-CD1 4.29Å; A227-I231 WeakPolarHBondContact O-CB 3.42Å; A227-I231 WeakPolarHBondContact O-CD1 3.29Å; A227-I231 WeakPolarHBondContact O-CG1 3.3Å; A227-I231 PolarHBondContact O-N 2.92Å; I231-S233 VanDerWaalsContact C-N 3.32Å; I231-S233 PolarHBondContact O-N 3.24Å; I231-H234 WeakPolarHBondContact O-CB 3.34Å; I231-H234 PolarHBondContact O-N 2.93Å; I231-L235 HydrophobicContact CG2-CD1 4.16Å; I231-L235 WeakPolarHBondContact O-CG 3.5Å; I231-L235 PolarHBondContact O-N 2.91Å; I231-E368 HydrophobicContact CD1-CB 3.77Å; I231-E368 HydrophobicContact CD1-CG 3.85Å; I231-E368 HydrophobicContact CG1-CB 4.02Å; I231-E368 HydrophobicContact CG1-CG 4.27Å; I231-E368 HydrophobicContact CG2-CG 4.06Å; I231-A371 HydrophobicContact CG1-CB 4.45Å
232	K	97.8	Very high	94.5	Very high	120 Å²	120	51.1 Å²	51.1	52%	0.522	24%	0.242	S	C	.	.	H	α-helix	trans	-59	-43.9	176.3	179.8	179.3	172.3	-178.3	0	112	Q228 H234 L235 E236	Q228-K232 WeakPolarHBondContact O-CB 3.42Å; Q228-K232 PolarHBondContact O-N 3.17Å; K232-H234 VanDerWaalsContact C-N 3.32Å; K232-H234 PolarHBondContact O-N 3.16Å; K232-L235 PolarHBondContact O-N 3.1Å; K232-E236 VanDerWaalsContact CE-CD 3.48Å; K232-E236 WeakPolarHBondContact CE-OE1 3.3Å; K232-E236 HydrophobicContact CG-CG 4.38Å; K232-E236 IonicContact NZ-OE1 2.61Å; K232-E236 WeakPolarHBondContact O-CB 3.34Å; K232-E236 WeakPolarHBondContact O-CG 3.45Å; K232-E236 PolarHBondContact O-N 3.27Å
233	S	98.2	Very high	94.5	Very high	4 Å²	4	54 Å²	54	3%	0.028	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-41	179.3	-60.8	0	0	0	0	111.4	N229 I230 I231 T237 R290	N229-S233 PolarHBondContact ND2-OG 3.41Å; N229-S233 VanDerWaalsContact O-CB 3.22Å; N229-S233 WeakPolarHBondContact O-CB 3.46Å; N229-S233 PolarHBondContact O-N 3.21Å; N229-S233 PolarHBondContact O-OG 3.39Å; I230-S233 PolarHBondContact O-N 2.77Å; I231-S233 VanDerWaalsContact C-N 3.32Å; I231-S233 PolarHBondContact O-N 3.24Å; S233-T237 VanDerWaalsContact O-CB 3.32Å; S233-T237 WeakPolarHBondContact O-CB 3.44Å; S233-T237 VanDerWaalsContact O-CG2 3.28Å; S233-T237 WeakPolarHBondContact O-CG2 3.44Å; S233-T237 PolarHBondContact O-N 3.48Å; S233-T237 VanDerWaalsContact O-N 3.13Å; S233-T237 PolarHBondContact O-OG1 3.14Å; S233-R290 VanDerWaalsContact OG-CB 3.26Å; S233-R290 WeakPolarHBondContact OG-CB 3.13Å; S233-R290 PolarHBondContact OG-O 3.26Å
234	H	97.4	Very high	94.7	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-52.1	175.3	174.8	93.1	0	0	0	111.1	I230 I231 K232 E236 T237 C238 F287 R317 R320 I370 A371	I230-H234 WeakPolarHBondContact O-CB 3.31Å; I230-H234 PolarHBondContact O-N 3.05Å; I231-H234 WeakPolarHBondContact O-CB 3.34Å; I231-H234 PolarHBondContact O-N 2.93Å; K232-H234 VanDerWaalsContact C-N 3.32Å; K232-H234 PolarHBondContact O-N 3.16Å; H234-E236 VanDerWaalsContact C-N 3.32Å; H234-E236 PolarHBondContact O-N 3.25Å; H234-T237 CarbonylContact O-C 3.52Å; H234-T237 VanDerWaalsContact O-C 3.32Å; H234-T237 PolarHBondContact O-N 3.17Å; H234-T237 PolarHBondContact O-OG1 3.06Å; H234-C238 PolarHBondContact O-N 3.46Å; H234-C238 PolarHBondContact O-SG 3.16Å; H234-C238 VanDerWaalsContact O-SG 3.39Å; H234-F287 HydrophobicContact CB-CD2 4.27Å; H234-F287 HydrophobicContact CB-CE2 3.76Å; H234-F287 HydrophobicContact CB-CZ 4.49Å; H234-R317 VanDerWaalsContact CE1-CZ 3.48Å; H234-R317 PolarHBondContact CE1-NE 3.33Å; H234-R317 VanDerWaalsContact CE1-NE 3.35Å; H234-R317 PolarHBondContact CE1-NH2 2.92Å; H234-R317 PolarHBondContact ND1-NH2 3.31Å; H234-R320 WeakPolarHBondContact NE2-CD 3.36Å; H234-I370 WeakPolarHBondContact NE2-CG2 3.37Å; H234-A371 HydrophobicContact CB-CB 3.34Å; H234-A371 VanDerWaalsContact CE1-CA 3.47Å; H234-A371 WeakPolarHBondContact CE1-CA 3.29Å
235	L	95.8	Very high	94.7	Very high	96 Å²	96	55 Å²	55	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-39	179.2	-65.2	172.1	0	0	0	112.7	I231 K232 T237 E367	I231-L235 HydrophobicContact CG2-CD1 4.16Å; I231-L235 WeakPolarHBondContact O-CG 3.5Å; I231-L235 PolarHBondContact O-N 2.91Å; K232-L235 PolarHBondContact O-N 3.1Å; L235-T237 VanDerWaalsContact C-N 3.26Å; L235-T237 PolarHBondContact O-N 3.31Å; L235-E367 HydrophobicContact CD2-CB 4.35Å
236	E	95.5	Very high	94.3	Very high	101 Å²	101	52.8 Å²	52.8	47%	0.472	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.7	175.8	-70.1	-178.8	166	0	0	114.2	K232 H234 R290	K232-E236 VanDerWaalsContact CE-CD 3.48Å; K232-E236 WeakPolarHBondContact CE-OE1 3.3Å; K232-E236 HydrophobicContact CG-CG 4.38Å; K232-E236 IonicContact NZ-OE1 2.61Å; K232-E236 WeakPolarHBondContact O-CB 3.34Å; K232-E236 WeakPolarHBondContact O-CG 3.45Å; K232-E236 PolarHBondContact O-N 3.27Å; H234-E236 VanDerWaalsContact C-N 3.32Å; H234-E236 PolarHBondContact O-N 3.25Å; E236-R290 IonicContact OE2-NH1 3.26Å; E236-R290 PolarHBondContact OE2-NH1 2.89Å
237	T	95.8	Very high	94.1	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.012	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132	20	-175.7	64.5	0	0	0	0	113.3	S233 H234 L235 Y283 E286 F287 R317	S233-T237 VanDerWaalsContact O-CB 3.32Å; S233-T237 WeakPolarHBondContact O-CB 3.44Å; S233-T237 VanDerWaalsContact O-CG2 3.28Å; S233-T237 WeakPolarHBondContact O-CG2 3.44Å; S233-T237 PolarHBondContact O-N 3.48Å; S233-T237 VanDerWaalsContact O-N 3.13Å; S233-T237 PolarHBondContact O-OG1 3.14Å; H234-T237 CarbonylContact O-C 3.52Å; H234-T237 VanDerWaalsContact O-C 3.32Å; H234-T237 PolarHBondContact O-N 3.17Å; H234-T237 PolarHBondContact O-OG1 3.06Å; L235-T237 VanDerWaalsContact C-N 3.26Å; L235-T237 PolarHBondContact O-N 3.31Å; T237-Y283 WeakPolarHBondContact O-CB 3.24Å; T237-E286 HydrophobicContact CG2-CB 4.24Å; T237-E286 HydrophobicContact CG2-CG 3.82Å; T237-F287 VanDerWaalsContact OG1-CB 3.3Å; T237-F287 WeakPolarHBondContact OG1-CB 3.22Å; T237-R317 PolarHBondContact O-NH1 3.47Å
238	C	91.9	Very high	93.9	Very high	19 Å²	19	59.9 Å²	59.9	13%	0.128	29%	0.288	C	S	.	.			trans	-87.1	139.5	163.4	-83.8	0	0	0	0	109	H234 Y240 R320	H234-C238 PolarHBondContact O-N 3.46Å; H234-C238 PolarHBondContact O-SG 3.16Å; H234-C238 VanDerWaalsContact O-SG 3.39Å; C238-Y240 PolarHBondContact O-N 3.47Å; C238-R320 VanDerWaalsContact SG-CZ 3.54Å
239	Q	89.6	Confident	93.4	Very high	71 Å²	71	55.4 Å²	55.4	33%	0.332	27%	0.27	S	S	.	.	S	Bend	trans	-65	-30	179.5	-178.2	177.6	-13.8	0	0	112.3	Y283	Q239-Y283 HydrophobicContact CB-CD2 3.96Å; Q239-Y283 HydrophobicContact CB-CE2 3.74Å; Q239-Y283 HydrophobicContact CB-CG 4.47Å; Q239-Y283 HydrophobicContact CG-CD2 4.39Å; Q239-Y283 HydrophobicContact CG-CE2 3.73Å
240	Y	91.6	Very high	92.7	Very high	61 Å²	61	64 Å²	64	24%	0.239	30%	0.3	C	S	.	.	S	Bend	trans	-133.9	139.1	179.4	-57.7	-78.4	0	0	0	110.3	C238 E244 L245 L248 R320 L330	C238-Y240 PolarHBondContact O-N 3.47Å; Y240-E244 VanDerWaalsContact CA-OE2 3.32Å; Y240-E244 WeakPolarHBondContact CA-OE2 3.48Å; Y240-L245 HydrophobicContact CD2-CD2 4.33Å; Y240-L245 HydrophobicContact CG-CD2 4.25Å; Y240-L248 HydrophobicContact CD1-CD1 4.06Å; Y240-L248 HydrophobicContact CE1-CD1 4.01Å; Y240-R320 PolarHBondContact O-NH1 3.26Å; Y240-R320 VanDerWaalsContact O-NH1 3.16Å; Y240-R320 PolarHBondContact O-NH2 2.93Å; Y240-L330 HydrophobicContact CD2-CD2 3.74Å; Y240-L330 HydrophobicContact CE2-CD2 3.57Å; Y240-L330 HydrophobicContact CG-CD2 4.32Å
241	T	92.8	Very high	92.4	Very high	63 Å²	63	68.7 Å²	68.7	39%	0.387	32%	0.322	S	S	.	.			trans	-73.9	165.6	168.3	86.5	0	0	0	0	110.9	E243 E244 L245	T241-E243 VanDerWaalsContact C-N 3.28Å; T241-E243 WeakPolarHBondContact CB-OE2 3.34Å; T241-E243 PolarHBondContact O-N 2.84Å; T241-E243 PolarHBondContact OG1-N 2.74Å; T241-E243 PolarHBondContact OG1-OE2 3.42Å; T241-E244 PolarHBondContact N-OE2 3.14Å; T241-E244 PolarHBondContact O-N 2.74Å; T241-E244 PolarHBondContact OG1-N 3.26Å; T241-L245 VanDerWaalsContact O-CG 3.31Å; T241-L245 WeakPolarHBondContact O-CG 3.16Å; T241-L245 PolarHBondContact O-N 2.77Å
242	M	88.9	Confident	92.1	Very high	58 Å²	58	71.5 Å²	71.5	29%	0.286	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-34.5	176.3	-74.3	-54.8	-53.8	0	0	112.4	L245 H246 E367	M242-L245 PolarHBondContact O-N 2.87Å; M242-L245 HydrophobicContact SD-CD1 4Å; M242-H246 WeakPolarHBondContact O-CB 3.18Å; M242-H246 PolarHBondContact O-N 3.27Å; M242-H246 PolarHBondContact O-ND1 3.13Å; M242-E367 HydrophobicContact CG-CG 3.89Å; M242-E367 HydrophobicContact SD-CG 4.35Å
243	E	90	Very high	91.8	Very high	123 Å²	123	66.7 Å²	66.7	58%	0.575	32%	0.319	S	S	*	.	H	α-helix	trans	-66.6	-40	176.2	-56.6	75.6	-165.9	0	0	111.9	T241 Q247	T241-E243 VanDerWaalsContact C-N 3.28Å; T241-E243 WeakPolarHBondContact CB-OE2 3.34Å; T241-E243 PolarHBondContact O-N 2.84Å; T241-E243 PolarHBondContact OG1-N 2.74Å; T241-E243 PolarHBondContact OG1-OE2 3.42Å; E243-Q247 VanDerWaalsContact O-CG 3.28Å; E243-Q247 WeakPolarHBondContact O-CG 3.42Å; E243-Q247 PolarHBondContact O-N 3.49Å; E243-Q247 PolarHBondContact O-NE2 3.47Å
244	E	92.8	Very high	91.5	Very high	87 Å²	87	69.4 Å²	69.4	41%	0.407	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-45.1	174.5	-67.4	175	144.7	0	0	110.8	Y240 T241 H246 Q247 L248	Y240-E244 VanDerWaalsContact CA-OE2 3.32Å; Y240-E244 WeakPolarHBondContact CA-OE2 3.48Å; T241-E244 PolarHBondContact N-OE2 3.14Å; T241-E244 PolarHBondContact O-N 2.74Å; T241-E244 PolarHBondContact OG1-N 3.26Å; E244-H246 VanDerWaalsContact C-N 3.34Å; E244-H246 PolarHBondContact O-N 3.31Å; E244-Q247 PolarHBondContact O-N 3.33Å; E244-Q247 VanDerWaalsContact O-N 3.13Å; E244-L248 VanDerWaalsContact O-CG 3.28Å; E244-L248 WeakPolarHBondContact O-CG 3.24Å; E244-L248 PolarHBondContact O-N 2.9Å
245	L	92.2	Very high	91.3	Very high	4 Å²	4	77.3 Å²	77.3	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-59.6	-42	175.9	-70.2	166.9	0	0	0	111.9	Y240 T241 M242 Q247 L248 A249 R320 L330	Y240-L245 HydrophobicContact CD2-CD2 4.33Å; Y240-L245 HydrophobicContact CG-CD2 4.25Å; T241-L245 VanDerWaalsContact O-CG 3.31Å; T241-L245 WeakPolarHBondContact O-CG 3.16Å; T241-L245 PolarHBondContact O-N 2.77Å; M242-L245 PolarHBondContact O-N 2.87Å; M242-L245 HydrophobicContact SD-CD1 4Å; L245-Q247 PolarHBondContact O-N 3.43Å; L245-L248 CarbonylContact O-C 3.37Å; L245-L248 PolarHBondContact O-N 3.38Å; L245-A249 PolarHBondContact O-N 3.14Å; L245-R320 HydrophobicContact CD1-CB 4.16Å; L245-L330 HydrophobicContact CD2-CD2 3.7Å
246	H	87.7	Confident	91.2	Very high	123 Å²	123	78.7 Å²	78.7	57%	0.569	37%	0.37	S	S	*	.	H	α-helix	trans	-64.8	-35.2	174.4	-68	160	0	0	0	113.4	M242 E244	M242-H246 WeakPolarHBondContact O-CB 3.18Å; M242-H246 PolarHBondContact O-N 3.27Å; M242-H246 PolarHBondContact O-ND1 3.13Å; E244-H246 VanDerWaalsContact C-N 3.34Å; E244-H246 PolarHBondContact O-N 3.31Å
247	Q	90.5	Very high	91.2	Very high	134 Å²	134	76.8 Å²	76.8	63%	0.626	36%	0.361	S	S	*	.	H	α-helix	trans	-71	-32	174.2	-71.6	168.8	42.1	0	0	112.5	E243 E244 L245 Q251	E243-Q247 VanDerWaalsContact O-CG 3.28Å; E243-Q247 WeakPolarHBondContact O-CG 3.42Å; E243-Q247 PolarHBondContact O-N 3.49Å; E243-Q247 PolarHBondContact O-NE2 3.47Å; E244-Q247 PolarHBondContact O-N 3.33Å; E244-Q247 VanDerWaalsContact O-N 3.13Å; L245-Q247 PolarHBondContact O-N 3.43Å; Q247-Q251 PolarHBondContact O-NE2 3.47Å
248	L	91.9	Very high	91.1	Very high	27 Å²	27	78 Å²	78	14%	0.141	37%	0.367	C	S	.	.	H	α-helix	trans	-81.3	-21.3	176.7	-65.6	174.2	0	0	0	112.9	Y240 E244 L245 W250 Q251 L330 Y335	Y240-L248 HydrophobicContact CD1-CD1 4.06Å; Y240-L248 HydrophobicContact CE1-CD1 4.01Å; E244-L248 VanDerWaalsContact O-CG 3.28Å; E244-L248 WeakPolarHBondContact O-CG 3.24Å; E244-L248 PolarHBondContact O-N 2.9Å; L245-L248 CarbonylContact O-C 3.37Å; L245-L248 PolarHBondContact O-N 3.38Å; L248-W250 PolarHBondContact O-N 3.27Å; L248-Q251 WeakPolarHBondContact O-CA 3.47Å; L248-Q251 WeakPolarHBondContact O-CB 3.36Å; L248-Q251 PolarHBondContact O-N 3.25Å; L248-L330 HydrophobicContact CB-CD1 4.28Å; L248-L330 HydrophobicContact CD1-CD1 4.11Å; L248-L330 HydrophobicContact CD1-CD2 4Å; L248-Y335 HydrophobicContact CB-CE2 4.02Å; L248-Y335 WeakPolarHBondContact O-CD2 3.26Å
249	A	85.4	Confident	91.2	Very high	20 Å²	20	82.9 Å²	82.9	17%	0.165	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-26	-174.2	0	0	0	0	0	115.3	L245	L245-A249 PolarHBondContact O-N 3.14Å
250	W	83.9	Confident	91.4	Very high	222 Å²	222	81.9 Å²	81.9	84%	0.841	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-6.6	177.2	-56.9	102.9	0	0	0	113.8	L248 T252	L248-W250 PolarHBondContact O-N 3.27Å; W250-T252 PolarHBondContact O-N 3.28Å
251	Q	91.6	Very high	91.6	Very high	97 Å²	97	79.6 Å²	79.6	45%	0.453	38%	0.382	S	S	.	.			trans	-88.2	82	178.2	-58.1	-173.4	38	0	0	109.1	Q247 L248 K334 Y335	Q247-Q251 PolarHBondContact O-NE2 3.47Å; L248-Q251 WeakPolarHBondContact O-CA 3.47Å; L248-Q251 WeakPolarHBondContact O-CB 3.36Å; L248-Q251 PolarHBondContact O-N 3.25Å; Q251-K334 CarbonylContact O-C 3.59Å; Q251-K334 VanDerWaalsContact O-CA 3.27Å; Q251-K334 WeakPolarHBondContact O-CA 3.3Å; Q251-K334 WeakPolarHBondContact O-CB 3.46Å; Q251-Y335 PolarHBondContact O-N 3.13Å
252	T	91.9	Very high	91.6	Very high	70 Å²	70	80.6 Å²	80.6	43%	0.429	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-87.9	156.3	176.9	51.8	0	0	0	0	112.2	W250 Y335	W250-T252 PolarHBondContact O-N 3.28Å; T252-Y335 CarbonylContact C-O 3.51Å; T252-Y335 VanDerWaalsContact CA-O 3.25Å; T252-Y335 WeakPolarHBondContact CA-O 3.45Å
253	H	91.6	Very high	91.9	Very high	19 Å²	19	82.4 Å²	82.4	9%	0.088	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-66.4	138.6	170.6	-83.4	-64.9	0	0	0	112	E257 I258 Y261 F331 Y335 M340	H253-E257 VanDerWaalsContact CA-OE2 3.31Å; H253-E257 WeakPolarHBondContact CA-OE2 3.15Å; H253-E257 HydrophobicContact CB-CB 4.27Å; H253-E257 IonicContact CE1-OE2 3.69Å; H253-E257 IonicContact CG-OE2 2.77Å; H253-E257 IonicContact ND1-OE2 3.31Å; H253-E257 PolarHBondContact ND1-OE2 2.93Å; H253-I258 HydrophobicContact CB-CD1 4.37Å; H253-I258 HydrophobicContact CB-CG1 3.88Å; H253-Y261 AromaticContact CE1-CE2 3.84Å; H253-Y261 AromaticContact NE2-CE2 3.97Å; H253-F331 PolarHBondContact NE2-O 2.98Å; H253-Y335 PolarHBondContact N-O 3.44Å; H253-M340 HydrophobicContact CB-SD 4.1Å; H253-M340 PolarHBondContact CD2-SD 2.84Å
254	T	93.2	Very high	92.2	Very high	61 Å²	61	79.9 Å²	79.9	37%	0.374	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-73.8	165.9	175.4	84.9	0	0	0	0	111.1	E256 E257 I258	T254-E256 VanDerWaalsContact CB-OE2 3.28Å; T254-E256 WeakPolarHBondContact CB-OE2 3.42Å; T254-E256 PolarHBondContact O-N 3.29Å; T254-E256 PolarHBondContact OG1-N 3.44Å; T254-E256 PolarHBondContact OG1-OE2 3.14Å; T254-E257 PolarHBondContact N-OE2 2.85Å; T254-E257 VanDerWaalsContact N-OE2 3.07Å; T254-E257 PolarHBondContact O-N 3.03Å; T254-E257 PolarHBondContact OG1-N 2.86Å; T254-I258 WeakPolarHBondContact O-CG1 3.27Å; T254-I258 PolarHBondContact O-N 3.34Å
255	Y	92.4	Very high	92.3	Very high	165 Å²	165	78.6 Å²	78.6	65%	0.647	39%	0.388	S	S	*	.	H	α-helix	trans	-57.4	-39	176	174	-104.3	0	0	0	112.3	I258 K259	Y255-I258 PolarHBondContact O-N 3.36Å; Y255-K259 HydrophobicContact CE1-CD 4.47Å; Y255-K259 VanDerWaalsContact O-CB 3.3Å; Y255-K259 WeakPolarHBondContact O-CB 3.43Å; Y255-K259 PolarHBondContact O-N 3.25Å
256	E	94.5	Very high	92.4	Very high	125 Å²	125	82.5 Å²	82.5	58%	0.584	40%	0.402	S	S	*	.	H	α-helix	trans	-66.8	-41.2	178.3	-58	66.5	-141.6	0	0	111.3	T254 K259 A260	T254-E256 VanDerWaalsContact CB-OE2 3.28Å; T254-E256 WeakPolarHBondContact CB-OE2 3.42Å; T254-E256 PolarHBondContact O-N 3.29Å; T254-E256 PolarHBondContact OG1-N 3.44Å; T254-E256 PolarHBondContact OG1-OE2 3.14Å; E256-K259 PolarHBondContact O-N 3.44Å; E256-A260 WeakPolarHBondContact O-CB 3.14Å; E256-A260 PolarHBondContact O-N 3.36Å
257	E	94.4	Very high	92.7	Very high	61 Å²	61	78.8 Å²	78.8	29%	0.285	39%	0.386	S	S	.	.	H	α-helix	trans	-65.9	-45.7	175.9	-66.2	179.6	149.9	0	0	111.3	H253 T254 K259 A260 Y261 K334	H253-E257 VanDerWaalsContact CA-OE2 3.31Å; H253-E257 WeakPolarHBondContact CA-OE2 3.15Å; H253-E257 HydrophobicContact CB-CB 4.27Å; H253-E257 IonicContact CE1-OE2 3.69Å; H253-E257 IonicContact CG-OE2 2.77Å; H253-E257 IonicContact ND1-OE2 3.31Å; H253-E257 PolarHBondContact ND1-OE2 2.93Å; T254-E257 PolarHBondContact N-OE2 2.85Å; T254-E257 VanDerWaalsContact N-OE2 3.07Å; T254-E257 PolarHBondContact O-N 3.03Å; T254-E257 PolarHBondContact OG1-N 2.86Å; E257-K259 VanDerWaalsContact C-N 3.31Å; E257-K259 PolarHBondContact O-N 3.13Å; E257-A260 WeakPolarHBondContact O-CB 3.22Å; E257-A260 PolarHBondContact O-N 2.89Å; E257-A260 VanDerWaalsContact O-N 3.17Å; E257-Y261 VanDerWaalsContact O-CD2 3.28Å; E257-Y261 WeakPolarHBondContact O-CD2 3.42Å; E257-Y261 PolarHBondContact O-N 3.5Å; E257-K334 IonicContact OE1-NZ 3.69Å; E257-K334 PolarHBondContact OE1-NZ 3.34Å; E257-K334 WeakPolarHBondContact OE2-CD 3.38Å; E257-K334 IonicContact OE2-NZ 2.89Å; E257-K334 PolarHBondContact OE2-NZ 3.06Å
258	I	93.7	Very high	92.9	Very high	27 Å²	27	74.2 Å²	74.2	14%	0.138	37%	0.371	C	S	.	.	H	α-helix	trans	-59.8	-43.1	175.3	-66.3	166.5	0	0	0	110.5	H253 T254 Y255 Y261 Q262 Q339 M340	H253-I258 HydrophobicContact CB-CD1 4.37Å; H253-I258 HydrophobicContact CB-CG1 3.88Å; T254-I258 WeakPolarHBondContact O-CG1 3.27Å; T254-I258 PolarHBondContact O-N 3.34Å; Y255-I258 PolarHBondContact O-N 3.36Å; I258-Y261 WeakPolarHBondContact O-CB 3.33Å; I258-Y261 PolarHBondContact O-N 2.89Å; I258-Q262 WeakPolarHBondContact O-CG 3.44Å; I258-Q262 PolarHBondContact O-N 3.11Å; I258-Q339 HydrophobicContact CG2-CG 3.76Å; I258-M340 HydrophobicContact CG1-CG 4.08Å; I258-M340 HydrophobicContact CG1-SD 4.33Å; I258-M340 HydrophobicContact CG2-CG 4.38Å
259	K	93.9	Very high	93.1	Very high	123 Å²	123	73 Å²	73	54%	0.535	36%	0.364	S	S	.	.	H	α-helix	trans	-65	-38.9	176.3	-173.2	177.5	179.3	-178.9	0	111.8	Y255 E256 E257 Y261 Q262 S263	Y255-K259 HydrophobicContact CE1-CD 4.47Å; Y255-K259 VanDerWaalsContact O-CB 3.3Å; Y255-K259 WeakPolarHBondContact O-CB 3.43Å; Y255-K259 PolarHBondContact O-N 3.25Å; E256-K259 PolarHBondContact O-N 3.44Å; E257-K259 VanDerWaalsContact C-N 3.31Å; E257-K259 PolarHBondContact O-N 3.13Å; K259-Y261 VanDerWaalsContact C-N 3.34Å; K259-Y261 PolarHBondContact O-N 2.92Å; K259-Q262 PolarHBondContact O-N 3.45Å; K259-S263 WeakPolarHBondContact O-CB 3.36Å; K259-S263 PolarHBondContact O-N 3.02Å; K259-S263 PolarHBondContact O-OG 3.15Å
260	A	94.7	Very high	93.6	Very high	50 Å²	50	72.4 Å²	72.4	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-60.3	-44.1	174	0	0	0	0	0	111	E256 E257 S263 K264	E256-A260 WeakPolarHBondContact O-CB 3.14Å; E256-A260 PolarHBondContact O-N 3.36Å; E257-A260 WeakPolarHBondContact O-CB 3.22Å; E257-A260 PolarHBondContact O-N 2.89Å; E257-A260 VanDerWaalsContact O-N 3.17Å; A260-S263 WeakPolarHBondContact CA-OG 3.3Å; A260-S263 PolarHBondContact O-N 3.39Å; A260-S263 PolarHBondContact O-OG 3.26Å; A260-K264 PolarHBondContact O-N 3.13Å
261	Y	94.6	Very high	94.1	Very high	13 Å²	13	64.4 Å²	64.4	5%	0.051	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-48.7	172.3	-87.4	-72.5	0	0	0	113.2	H253 E257 I258 K259 S263 K264 L269 Q272 F331 E332 M340	H253-Y261 AromaticContact CE1-CE2 3.84Å; H253-Y261 AromaticContact NE2-CE2 3.97Å; E257-Y261 VanDerWaalsContact O-CD2 3.28Å; E257-Y261 WeakPolarHBondContact O-CD2 3.42Å; E257-Y261 PolarHBondContact O-N 3.5Å; I258-Y261 WeakPolarHBondContact O-CB 3.33Å; I258-Y261 PolarHBondContact O-N 2.89Å; K259-Y261 VanDerWaalsContact C-N 3.34Å; K259-Y261 PolarHBondContact O-N 2.92Å; Y261-S263 PolarHBondContact O-N 3.26Å; Y261-K264 HydrophobicContact CD1-CD 3.9Å; Y261-K264 HydrophobicContact CE1-CD 4.42Å; Y261-K264 WeakPolarHBondContact O-CB 3.37Å; Y261-K264 PolarHBondContact O-N 3Å; Y261-K264 VanDerWaalsContact O-N 3.17Å; Y261-L269 HydrophobicContact CD1-CD1 3.87Å; Y261-L269 HydrophobicContact CE1-CD1 4.14Å; Y261-Q272 PolarHBondContact OH-NE2 3.38Å; Y261-Q272 VanDerWaalsContact OH-NE2 3.16Å; Y261-F331 HydrophobicContact CE1-CD1 4.23Å; Y261-F331 AromaticContact CE1-CE1 3.82Å; Y261-F331 HydrophobicContact CE1-CE1 3.82Å; Y261-E332 PolarHBondContact OH-OE2 3.4Å; Y261-M340 HydrophobicContact CD2-SD 4.14Å; Y261-M340 HydrophobicContact CE2-SD 4.36Å; Y261-M340 HydrophobicContact CG-CB 4.28Å
262	Q	94	Very high	94.3	Very high	84 Å²	84	61 Å²	61	39%	0.393	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-25.3	178.4	-70.8	172.9	-3.8	0	0	113.6	I258 K259 Q339	I258-Q262 WeakPolarHBondContact O-CG 3.44Å; I258-Q262 PolarHBondContact O-N 3.11Å; K259-Q262 PolarHBondContact O-N 3.45Å; Q262-Q339 WeakPolarHBondContact CG-O 3.3Å; Q262-Q339 PolarHBondContact NE2-O 2.87Å
263	S	95.1	Very high	94.5	Very high	95 Å²	95	58.3 Å²	58.3	66%	0.664	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.1	177.3	71.4	0	0	0	0	114.7	K259 A260 Y261	K259-S263 WeakPolarHBondContact O-CB 3.36Å; K259-S263 PolarHBondContact O-N 3.02Å; K259-S263 PolarHBondContact O-OG 3.15Å; A260-S263 WeakPolarHBondContact CA-OG 3.3Å; A260-S263 PolarHBondContact O-N 3.39Å; A260-S263 PolarHBondContact O-OG 3.26Å; Y261-S263 PolarHBondContact O-N 3.26Å
264	K	95.4	Very high	94.8	Very high	70 Å²	70	57.4 Å²	57.4	30%	0.304	29%	0.293	S	S	.	.	S	Bend	trans	-64.6	149.8	175.1	-72.8	166.9	-175.3	-89.2	0	110.2	A260 Y261 A268 L269 A343	A260-K264 PolarHBondContact O-N 3.13Å; Y261-K264 HydrophobicContact CD1-CD 3.9Å; Y261-K264 HydrophobicContact CE1-CD 4.42Å; Y261-K264 WeakPolarHBondContact O-CB 3.37Å; Y261-K264 PolarHBondContact O-N 3Å; Y261-K264 VanDerWaalsContact O-N 3.17Å; K264-A268 HydrophobicContact CB-CB 4.46Å; K264-L269 HydrophobicContact CB-CB 4.37Å; K264-L269 HydrophobicContact CD-CB 4.42Å; K264-L269 HydrophobicContact CD-CD1 4.12Å; K264-A343 WeakPolarHBondContact O-CB 3.46Å
265	S	95.5	Very high	94.9	Very high	61 Å²	61	57 Å²	57	43%	0.427	29%	0.288	S	S	.	.			trans	-67	157.3	165.7	86.9	0	0	0	0	110.2	E267 A268 L269	S265-E267 WeakPolarHBondContact CB-OE2 3.14Å; S265-E267 PolarHBondContact O-N 3.35Å; S265-E267 PolarHBondContact OG-OE2 3.13Å; S265-A268 PolarHBondContact O-N 2.63Å; S265-A268 PolarHBondContact OG-N 3.47Å; S265-L269 PolarHBondContact O-N 2.88Å
266	R	94	Very high	95.1	Very high	85 Å²	85	51.3 Å²	51.3	32%	0.321	27%	0.268	S	S	.	.	H	α-helix	trans	-57.8	-38.7	-179.7	-178.4	171.4	65.7	150.3	2.3	111	W270 A343 F441 S444 H445	R266-W270 WeakPolarHBondContact O-CB 3.12Å; R266-W270 VanDerWaalsContact O-CD1 3.26Å; R266-W270 PolarHBondContact O-N 3.37Å; R266-A343 VanDerWaalsContact CA-O 3.3Å; R266-A343 WeakPolarHBondContact CA-O 3.36Å; R266-A343 WeakPolarHBondContact CB-O 3.35Å; R266-F441 HydrophobicContact CG-CD2 4.27Å; R266-F441 HydrophobicContact CG-CE2 4.15Å; R266-S444 PolarHBondContact NH2-OG 3.32Å; R266-H445 PolarHBondContact NH2-CE1 2.91Å
267	E	94.5	Very high	95.2	Very high	46 Å²	46	47 Å²	47	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-45.3	-178.9	-50	67.1	-125.5	0	0	111.7	S265 W270 Q271 F441 H445 I448	S265-E267 WeakPolarHBondContact CB-OE2 3.14Å; S265-E267 PolarHBondContact O-N 3.35Å; S265-E267 PolarHBondContact OG-OE2 3.13Å; E267-W270 PolarHBondContact O-N 2.59Å; E267-Q271 WeakPolarHBondContact O-CB 3.32Å; E267-Q271 PolarHBondContact O-N 3.43Å; E267-F441 HydrophobicContact CB-CZ 4.27Å; E267-F441 HydrophobicContact CG-CE2 4.41Å; E267-F441 HydrophobicContact CG-CZ 4.35Å; E267-H445 IonicContact OE1-CE1 3.17Å; E267-H445 PolarHBondContact OE1-CE1 3.23Å; E267-H445 IonicContact OE1-ND1 3.76Å; E267-H445 IonicContact OE1-NE2 2.64Å; E267-H445 PolarHBondContact OE1-NE2 3.03Å; E267-I448 HydrophobicContact CB-CG1 4.33Å; E267-I448 HydrophobicContact CB-CG2 4.23Å; E267-I448 HydrophobicContact CG-CG1 4.25Å
268	A	95.1	Very high	95.3	Very high	38 Å²	38	44.4 Å²	44.4	31%	0.314	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-41.6	-179.6	0	0	0	0	0	111.8	K264 S265 Q272	K264-A268 HydrophobicContact CB-CB 4.46Å; S265-A268 PolarHBondContact O-N 2.63Å; S265-A268 PolarHBondContact OG-N 3.47Å; A268-Q272 WeakPolarHBondContact O-CB 3.47Å; A268-Q272 PolarHBondContact O-N 3.01Å
269	L	95.6	Very high	95.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-73.9	-38.8	179.1	-169.9	54.6	0	0	0	112.2	Y261 K264 S265 Q271 Q272 C273 A343 L344	Y261-L269 HydrophobicContact CD1-CD1 3.87Å; Y261-L269 HydrophobicContact CE1-CD1 4.14Å; K264-L269 HydrophobicContact CB-CB 4.37Å; K264-L269 HydrophobicContact CD-CB 4.42Å; K264-L269 HydrophobicContact CD-CD1 4.12Å; S265-L269 PolarHBondContact O-N 2.88Å; L269-Q271 PolarHBondContact O-N 3.23Å; L269-Q272 PolarHBondContact O-N 2.99Å; L269-C273 PolarHBondContact O-N 3.49Å; L269-C273 PolarHBondContact O-SG 2.94Å; L269-A343 HydrophobicContact CD2-CB 3.76Å; L269-L344 HydrophobicContact CB-CD2 4.13Å; L269-L344 HydrophobicContact CD2-CD2 4.27Å; L269-L344 HydrophobicContact CD2-CG 4.01Å; L269-L344 HydrophobicContact CG-CD2 3.78Å; L269-L344 HydrophobicContact CG-CG 4.05Å
270	W	95.9	Very high	95.5	Very high	9 Å²	9	41.9 Å²	41.9	3%	0.034	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-44.5	172.6	-95.1	96	0	0	0	112.2	R266 E267 Q272 C273 A274 L344 K437 L438 F441 F453	R266-W270 WeakPolarHBondContact O-CB 3.12Å; R266-W270 VanDerWaalsContact O-CD1 3.26Å; R266-W270 PolarHBondContact O-N 3.37Å; E267-W270 PolarHBondContact O-N 2.59Å; W270-Q272 VanDerWaalsContact C-N 3.33Å; W270-Q272 PolarHBondContact O-N 3.18Å; W270-C273 PolarHBondContact O-N 3.3Å; W270-A274 WeakPolarHBondContact O-CB 3.27Å; W270-A274 PolarHBondContact O-N 3.26Å; W270-L344 HydrophobicContact CB-CD2 4.3Å; W270-L344 HydrophobicContact CD2-CD2 4.04Å; W270-L344 HydrophobicContact CG-CD2 3.74Å; W270-L344 PolarHBondContact NE1-O 2.63Å; W270-K437 HydrophobicContact CH2-CB 3.85Å; W270-K437 HydrophobicContact CZ2-CB 3.96Å; W270-L438 HydrophobicContact CZ3-CB 4.35Å; W270-L438 HydrophobicContact CZ3-CD1 4.23Å; W270-F441 HydrophobicContact CB-CD1 4.49Å; W270-F441 HydrophobicContact CB-CD2 4.26Å; W270-F441 HydrophobicContact CB-CE1 4.11Å; W270-F441 HydrophobicContact CB-CE2 3.84Å; W270-F441 HydrophobicContact CB-CZ 3.78Å; W270-F441 AromaticContact CD1-CD2 3.49Å; W270-F441 VanDerWaalsContact CD1-CD2 3.49Å; W270-F441 AromaticContact CD1-CE2 3.66Å; W270-F441 HydrophobicContact CD2-CB 4.4Å; W270-F441 HydrophobicContact CD2-CD1 4.38Å; W270-F441 HydrophobicContact CD2-CD2 4.13Å; W270-F441 HydrophobicContact CD2-CG 4.03Å; W270-F441 HydrophobicContact CG-CD1 4.33Å; W270-F441 AromaticContact CG-CD2 3.69Å; W270-F441 HydrophobicContact CG-CD2 3.69Å; W270-F441 HydrophobicContact CG-CE1 4.39Å; W270-F441 AromaticContact CG-CE2 3.75Å; W270-F441 HydrophobicContact CG-CE2 3.75Å; W270-F441 HydrophobicContact CG-CG 4.01Å; W270-F441 HydrophobicContact CG-CZ 4.13Å; W270-F441 HydrophobicContact CZ2-CB 4.45Å; W270-F441 AromaticContact NE1-CD2 3.8Å; W270-F453 HydrophobicContact CB-CZ 4.14Å; W270-F453 HydrophobicContact CE3-CZ 4.49Å
271	Q	95.4	Very high	95.6	Very high	54 Å²	54	39.5 Å²	39.5	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-59.9	-43.5	173.9	-175.4	-168.9	-4.6	0	0	111.5	E267 L269 A274 I275 L452 F453	E267-Q271 WeakPolarHBondContact O-CB 3.32Å; E267-Q271 PolarHBondContact O-N 3.43Å; L269-Q271 PolarHBondContact O-N 3.23Å; Q271-A274 PolarHBondContact O-N 2.83Å; Q271-I275 HydrophobicContact CG-CD1 4.11Å; Q271-I275 WeakPolarHBondContact O-CG1 3.39Å; Q271-I275 PolarHBondContact O-N 3.46Å; Q271-L452 HydrophobicContact CG-CB 4.19Å; Q271-L452 PolarHBondContact NE2-O 2.87Å; Q271-F453 HydrophobicContact CB-CD1 4.36Å; Q271-F453 HydrophobicContact CB-CE1 4.13Å; Q271-F453 HydrophobicContact CG-CD1 4.44Å
272	Q	95.6	Very high	95.7	Very high	24 Å²	24	43.8 Å²	43.8	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-44.4	-179.5	-166.9	174.5	-5.2	0	0	111.8	Y261 A268 L269 W270 I275 Q276 F331 E332	Y261-Q272 PolarHBondContact OH-NE2 3.38Å; Y261-Q272 VanDerWaalsContact OH-NE2 3.16Å; A268-Q272 WeakPolarHBondContact O-CB 3.47Å; A268-Q272 PolarHBondContact O-N 3.01Å; L269-Q272 PolarHBondContact O-N 2.99Å; W270-Q272 VanDerWaalsContact C-N 3.33Å; W270-Q272 PolarHBondContact O-N 3.18Å; Q272-I275 WeakPolarHBondContact O-CB 3.46Å; Q272-I275 PolarHBondContact O-N 3.29Å; Q272-Q276 PolarHBondContact O-N 3.39Å; Q272-F331 HydrophobicContact CG-CE1 4.47Å; Q272-F331 HydrophobicContact CG-CZ 4.42Å; Q272-E332 VanDerWaalsContact CG-OE1 3.29Å; Q272-E332 WeakPolarHBondContact CG-OE1 3.42Å; Q272-E332 PolarHBondContact NE2-OE1 3.19Å; Q272-E332 PolarHBondContact NE2-OE2 3.06Å
273	C	96.6	Very high	95.9	Very high	14 Å²	14	44.2 Å²	44.2	10%	0.095	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-43.2	172	-70	0	0	0	0	112	L269 W270 I275 Q276 I277	L269-C273 PolarHBondContact O-N 3.49Å; L269-C273 PolarHBondContact O-SG 2.94Å; W270-C273 PolarHBondContact O-N 3.3Å; C273-I275 VanDerWaalsContact C-N 3.3Å; C273-I275 PolarHBondContact O-N 2.75Å; C273-Q276 PolarHBondContact O-N 3.18Å; C273-I277 WeakPolarHBondContact O-CB 3.31Å; C273-I277 VanDerWaalsContact O-CG1 3.31Å; C273-I277 WeakPolarHBondContact O-CG1 3.43Å; C273-I277 PolarHBondContact O-N 3.07Å
274	A	96.5	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-35.8	176.3	0	0	0	0	0	112.7	W270 Q271 T278 F453 Y457	W270-A274 WeakPolarHBondContact O-CB 3.27Å; W270-A274 PolarHBondContact O-N 3.26Å; Q271-A274 PolarHBondContact O-N 2.83Å; A274-T278 WeakPolarHBondContact O-CB 3.21Å; A274-T278 PolarHBondContact O-N 2.97Å; A274-T278 PolarHBondContact O-OG1 3.45Å; A274-F453 HydrophobicContact CB-CD1 4.46Å; A274-F453 HydrophobicContact CB-CD2 3.86Å; A274-F453 HydrophobicContact CB-CE2 3.95Å; A274-F453 HydrophobicContact CB-CG 4.11Å; A274-F453 HydrophobicContact CB-CZ 4.31Å; A274-Y457 HydrophobicContact CB-CD1 4.2Å; A274-Y457 HydrophobicContact CB-CD2 3.93Å; A274-Y457 HydrophobicContact CB-CE1 4.16Å; A274-Y457 HydrophobicContact CB-CE2 3.91Å; A274-Y457 HydrophobicContact CB-CG 4.09Å
275	I	95.9	Very high	96.1	Very high	52 Å²	52	37.7 Å²	37.7	27%	0.267	19%	0.192	S	C	.	.	H	α-helix	trans	-63.9	-50.6	172.7	-70.8	163.3	0	0	0	111	Q271 Q272 C273 I277 T278 H279 P454	Q271-I275 HydrophobicContact CG-CD1 4.11Å; Q271-I275 WeakPolarHBondContact O-CG1 3.39Å; Q271-I275 PolarHBondContact O-N 3.46Å; Q272-I275 WeakPolarHBondContact O-CB 3.46Å; Q272-I275 PolarHBondContact O-N 3.29Å; C273-I275 VanDerWaalsContact C-N 3.3Å; C273-I275 PolarHBondContact O-N 2.75Å; I275-I277 PolarHBondContact O-N 2.64Å; I275-T278 WeakPolarHBondContact O-CB 3.4Å; I275-T278 PolarHBondContact O-N 2.85Å; I275-T278 VanDerWaalsContact O-N 3.12Å; I275-H279 WeakPolarHBondContact CG2-CE1 3.33Å; I275-H279 PolarHBondContact O-N 3.08Å; I275-H279 PolarHBondContact O-ND1 3.45Å; I275-P454 HydrophobicContact CG1-CG 3.82Å
276	Q	96.1	Very high	96.2	Very high	46 Å²	46	37.9 Å²	37.9	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-39.7	-178.6	-58.4	-50.4	-20.2	0	0	112.7	Q272 C273 T278 H279 A280 F331 E332	Q272-Q276 PolarHBondContact O-N 3.39Å; C273-Q276 PolarHBondContact O-N 3.18Å; Q276-T278 VanDerWaalsContact C-N 3.29Å; Q276-T278 PolarHBondContact O-N 2.76Å; Q276-H279 PolarHBondContact O-N 3.45Å; Q276-H279 PolarHBondContact OE1-ND1 3.46Å; Q276-A280 PolarHBondContact O-N 3.38Å; Q276-A280 VanDerWaalsContact O-N 3.08Å; Q276-F331 HydrophobicContact CB-CE2 4.08Å; Q276-F331 HydrophobicContact CG-CE2 3.86Å; Q276-F331 HydrophobicContact CG-CZ 3.89Å; Q276-E332 HydrophobicContact CG-CG 4.18Å; Q276-E332 PolarHBondContact NE2-OE1 3.23Å
277	I	96.4	Very high	96.4	Very high	35 Å²	35	33.9 Å²	33.9	18%	0.179	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-40.6	171.4	-68.4	167.7	0	0	0	110.5	C273 I275 H279 A280 I281 L311 Y457 F461	C273-I277 WeakPolarHBondContact O-CB 3.31Å; C273-I277 VanDerWaalsContact O-CG1 3.31Å; C273-I277 WeakPolarHBondContact O-CG1 3.43Å; C273-I277 PolarHBondContact O-N 3.07Å; I275-I277 PolarHBondContact O-N 2.64Å; I277-H279 PolarHBondContact O-N 2.89Å; I277-A280 PolarHBondContact O-N 2.99Å; I277-I281 HydrophobicContact CG2-CD1 3.58Å; I277-I281 HydrophobicContact CG2-CG1 4.18Å; I277-I281 WeakPolarHBondContact O-CB 3.39Å; I277-I281 WeakPolarHBondContact O-CG1 3.41Å; I277-I281 PolarHBondContact O-N 3.38Å; I277-L311 HydrophobicContact CG2-CD1 4.38Å; I277-Y457 HydrophobicContact CB-CD2 4.36Å; I277-Y457 HydrophobicContact CB-CE2 4.19Å; I277-Y457 HydrophobicContact CD1-CE2 4.26Å; I277-Y457 HydrophobicContact CG2-CD2 4.05Å; I277-Y457 HydrophobicContact CG2-CE2 3.92Å; I277-F461 HydrophobicContact CG2-CE2 4.23Å
278	T	96.5	Very high	96.6	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-43.9	176.6	-60	0	0	0	0	112.4	A274 I275 Q276 I281 Q282 P454 L456 Y457	A274-T278 WeakPolarHBondContact O-CB 3.21Å; A274-T278 PolarHBondContact O-N 2.97Å; A274-T278 PolarHBondContact O-OG1 3.45Å; I275-T278 WeakPolarHBondContact O-CB 3.4Å; I275-T278 PolarHBondContact O-N 2.85Å; I275-T278 VanDerWaalsContact O-N 3.12Å; Q276-T278 VanDerWaalsContact C-N 3.29Å; Q276-T278 PolarHBondContact O-N 2.76Å; T278-I281 PolarHBondContact O-N 2.92Å; T278-Q282 WeakPolarHBondContact O-CG 3.5Å; T278-Q282 PolarHBondContact O-N 2.99Å; T278-Q282 VanDerWaalsContact O-N 3.07Å; T278-P454 HydrophobicContact CG2-CB 3.8Å; T278-P454 HydrophobicContact CG2-CG 4.36Å; T278-P454 WeakPolarHBondContact OG1-CB 3.49Å; T278-P454 WeakPolarHBondContact OG1-CG 3.46Å; T278-L456 HydrophobicContact CG2-CB 4.1Å; T278-L456 HydrophobicContact CG2-CD2 4.24Å; T278-Y457 WeakPolarHBondContact OG1-CB 3.45Å
279	H	95.4	Very high	96.7	Very high	72 Å²	72	34.6 Å²	34.6	33%	0.333	17%	0.166	S	C	.	.	H	α-helix	trans	-60.2	-49.3	176.3	-62.6	147.3	0	0	0	110.8	I275 Q276 I277 I281 Q282 Y283	I275-H279 WeakPolarHBondContact CG2-CE1 3.33Å; I275-H279 PolarHBondContact O-N 3.08Å; I275-H279 PolarHBondContact O-ND1 3.45Å; Q276-H279 PolarHBondContact O-N 3.45Å; Q276-H279 PolarHBondContact OE1-ND1 3.46Å; I277-H279 PolarHBondContact O-N 2.89Å; H279-I281 VanDerWaalsContact C-N 3.31Å; H279-I281 PolarHBondContact O-N 2.58Å; H279-Q282 WeakPolarHBondContact O-CB 3.26Å; H279-Q282 PolarHBondContact O-N 3.37Å; H279-Q282 VanDerWaalsContact O-N 3.15Å; H279-Y283 VanDerWaalsContact O-CD2 3.23Å; H279-Y283 WeakPolarHBondContact O-CD2 3.42Å; H279-Y283 PolarHBondContact O-N 3.01Å
280	A	96.5	Very high	96.9	Very high	25 Å²	25	39 Å²	39	21%	0.207	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-41.2	177.5	0	0	0	0	0	112.5	Q276 I277 Q282 Y283 V284 V314	Q276-A280 PolarHBondContact O-N 3.38Å; Q276-A280 VanDerWaalsContact O-N 3.08Å; I277-A280 PolarHBondContact O-N 2.99Å; A280-Q282 PolarHBondContact O-N 3.16Å; A280-Y283 WeakPolarHBondContact O-CB 3.4Å; A280-Y283 PolarHBondContact O-N 3.24Å; A280-V284 PolarHBondContact O-N 3.22Å; A280-V284 VanDerWaalsContact O-N 3.13Å; A280-V314 HydrophobicContact CB-CG1 4.14Å; A280-V314 HydrophobicContact CB-CG2 3.81Å
281	I	96.6	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-37.9	176.7	-73.9	174.2	0	0	0	112.3	I277 T278 H279 Y283 V284 V285 C310 V314 L456 L460 F461	I277-I281 HydrophobicContact CG2-CD1 3.58Å; I277-I281 HydrophobicContact CG2-CG1 4.18Å; I277-I281 WeakPolarHBondContact O-CB 3.39Å; I277-I281 WeakPolarHBondContact O-CG1 3.41Å; I277-I281 PolarHBondContact O-N 3.38Å; T278-I281 PolarHBondContact O-N 2.92Å; H279-I281 VanDerWaalsContact C-N 3.31Å; H279-I281 PolarHBondContact O-N 2.58Å; I281-Y283 VanDerWaalsContact C-N 3.25Å; I281-Y283 PolarHBondContact O-N 3.48Å; I281-V284 PolarHBondContact O-N 2.95Å; I281-V285 HydrophobicContact CG2-CG2 4.24Å; I281-V285 WeakPolarHBondContact O-CG2 3.32Å; I281-V285 PolarHBondContact O-N 2.66Å; I281-C310 HydrophobicContact CG1-CB 4.24Å; I281-C310 HydrophobicContact CG2-CB 4.3Å; I281-V314 HydrophobicContact CG1-CG2 4.03Å; I281-L456 HydrophobicContact CG2-CD2 3.87Å; I281-L456 HydrophobicContact CG2-CG 4.23Å; I281-L460 HydrophobicContact CD1-CD1 3.84Å; I281-L460 HydrophobicContact CG2-CD1 3.41Å; I281-L460 VanDerWaalsContact CG2-CD1 3.41Å; I281-F461 HydrophobicContact CD1-CE2 3.69Å; I281-F461 HydrophobicContact CD1-CZ 3.8Å
282	Q	96.8	Very high	96.9	Very high	103 Å²	103	38.3 Å²	38.3	48%	0.481	18%	0.183	S	C	.	.	H	α-helix	trans	-59.4	-39.4	177	-71.6	169.4	-7.2	0	0	111.6	T278 H279 A280 V285 E286 L456	T278-Q282 WeakPolarHBondContact O-CG 3.5Å; T278-Q282 PolarHBondContact O-N 2.99Å; T278-Q282 VanDerWaalsContact O-N 3.07Å; H279-Q282 WeakPolarHBondContact O-CB 3.26Å; H279-Q282 PolarHBondContact O-N 3.37Å; H279-Q282 VanDerWaalsContact O-N 3.15Å; A280-Q282 PolarHBondContact O-N 3.16Å; Q282-V285 PolarHBondContact O-N 3.26Å; Q282-E286 PolarHBondContact O-N 3.45Å; Q282-E286 VanDerWaalsContact O-N 3.11Å; Q282-L456 HydrophobicContact CG-CD2 3.75Å
283	Y	97.6	Very high	96.9	Very high	93 Å²	93	37.8 Å²	37.8	37%	0.365	18%	0.184	S	C	.	.	H	α-helix	trans	-66.2	-38.1	172.8	-74	-75.6	0	0	0	112.7	T237 Q239 H279 A280 I281 E286 F287	T237-Y283 WeakPolarHBondContact O-CB 3.24Å; Q239-Y283 HydrophobicContact CB-CD2 3.96Å; Q239-Y283 HydrophobicContact CB-CE2 3.74Å; Q239-Y283 HydrophobicContact CB-CG 4.47Å; Q239-Y283 HydrophobicContact CG-CD2 4.39Å; Q239-Y283 HydrophobicContact CG-CE2 3.73Å; H279-Y283 VanDerWaalsContact O-CD2 3.23Å; H279-Y283 WeakPolarHBondContact O-CD2 3.42Å; H279-Y283 PolarHBondContact O-N 3.01Å; A280-Y283 WeakPolarHBondContact O-CB 3.4Å; A280-Y283 PolarHBondContact O-N 3.24Å; I281-Y283 VanDerWaalsContact C-N 3.25Å; I281-Y283 PolarHBondContact O-N 3.48Å; Y283-E286 PolarHBondContact O-N 2.89Å; Y283-F287 WeakPolarHBondContact O-CB 3.3Å; Y283-F287 PolarHBondContact O-N 3.29Å
284	V	98.1	Very high	97	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-38.6	174.2	177.4	0	0	0	0	112.3	A280 I281 E286 F287 A288 C310 V313 V314	A280-V284 PolarHBondContact O-N 3.22Å; A280-V284 VanDerWaalsContact O-N 3.13Å; I281-V284 PolarHBondContact O-N 2.95Å; V284-E286 VanDerWaalsContact C-N 3.34Å; V284-E286 PolarHBondContact O-N 2.95Å; V284-F287 WeakPolarHBondContact O-CB 3.28Å; V284-F287 PolarHBondContact O-N 3.49Å; V284-A288 WeakPolarHBondContact O-CB 3.25Å; V284-A288 PolarHBondContact O-N 3.46Å; V284-C310 HydrophobicContact CG1-CB 4.47Å; V284-V313 HydrophobicContact CB-CG1 4.4Å; V284-V313 HydrophobicContact CG1-CB 3.84Å; V284-V313 HydrophobicContact CG1-CG1 3.84Å; V284-V313 HydrophobicContact CG1-CG2 4.24Å; V284-V313 HydrophobicContact CG2-CB 4.09Å; V284-V313 HydrophobicContact CG2-CG1 3.65Å; V284-V314 HydrophobicContact CG2-CG2 4.02Å
285	V	97.7	Very high	97	Very high	27 Å²	27	42.3 Å²	42.3	16%	0.164	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-37.5	175.9	171	0	0	0	0	111.2	I281 Q282 K289 L306	I281-V285 HydrophobicContact CG2-CG2 4.24Å; I281-V285 WeakPolarHBondContact O-CG2 3.32Å; I281-V285 PolarHBondContact O-N 2.66Å; Q282-V285 PolarHBondContact O-N 3.26Å; V285-K289 WeakPolarHBondContact O-CG 3.47Å; V285-K289 PolarHBondContact O-N 3.2Å; V285-L306 HydrophobicContact CG2-CD2 4.12Å
286	E	97.7	Very high	97	Very high	66 Å²	66	46.4 Å²	46.4	31%	0.308	22%	0.223	S	C	.	.	H	α-helix	trans	-73.3	-36.2	175.1	-175	59.1	-164.1	0	0	112.3	T237 Q282 Y283 V284 K289 R290	T237-E286 HydrophobicContact CG2-CB 4.24Å; T237-E286 HydrophobicContact CG2-CG 3.82Å; Q282-E286 PolarHBondContact O-N 3.45Å; Q282-E286 VanDerWaalsContact O-N 3.11Å; Y283-E286 PolarHBondContact O-N 2.89Å; V284-E286 VanDerWaalsContact C-N 3.34Å; V284-E286 PolarHBondContact O-N 2.95Å; E286-K289 IonicContact OE2-NZ 3.82Å; E286-R290 WeakPolarHBondContact O-CG 3.4Å; E286-R290 IonicContact OE1-CZ 2.84Å; E286-R290 VanDerWaalsContact OE1-CZ 3.29Å; E286-R290 IonicContact OE1-NE 3.78Å; E286-R290 PolarHBondContact OE1-NE 2.97Å; E286-R290 IonicContact OE1-NH2 3.81Å; E286-R290 PolarHBondContact OE1-NH2 3.31Å
287	F	98.6	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.2	-52.4	169.9	174.6	-123.4	0	0	0	111.1	I230 H234 T237 Y283 V284 K289 R290 I291	I230-F287 HydrophobicContact CG2-CE2 4.26Å; I230-F287 HydrophobicContact CG2-CZ 4.07Å; H234-F287 HydrophobicContact CB-CD2 4.27Å; H234-F287 HydrophobicContact CB-CE2 3.76Å; H234-F287 HydrophobicContact CB-CZ 4.49Å; T237-F287 VanDerWaalsContact OG1-CB 3.3Å; T237-F287 WeakPolarHBondContact OG1-CB 3.22Å; Y283-F287 WeakPolarHBondContact O-CB 3.3Å; Y283-F287 PolarHBondContact O-N 3.29Å; V284-F287 WeakPolarHBondContact O-CB 3.28Å; V284-F287 PolarHBondContact O-N 3.49Å; F287-K289 VanDerWaalsContact C-N 3.35Å; F287-K289 PolarHBondContact O-N 3.45Å; F287-R290 PolarHBondContact O-N 3.23Å; F287-I291 HydrophobicContact CD1-CD1 4.27Å; F287-I291 HydrophobicContact CE1-CD1 3.94Å; F287-I291 HydrophobicContact CE2-CG1 4.42Å; F287-I291 HydrophobicContact CZ-CD1 4.13Å; F287-I291 HydrophobicContact CZ-CG1 4.37Å; F287-I291 PolarHBondContact O-N 3.08Å
288	A	98.4	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-53.7	-48.1	-177.7	0	0	0	0	0	112.7	V284 R290 I291 F294 L306 L378	V284-A288 WeakPolarHBondContact O-CB 3.25Å; V284-A288 PolarHBondContact O-N 3.46Å; A288-R290 PolarHBondContact O-N 2.94Å; A288-R290 VanDerWaalsContact O-N 3.14Å; A288-I291 WeakPolarHBondContact O-CB 3.48Å; A288-I291 PolarHBondContact O-N 3.46Å; A288-I291 VanDerWaalsContact O-N 3.16Å; A288-F294 HydrophobicContact CB-CD1 4.32Å; A288-F294 HydrophobicContact CB-CE1 4.04Å; A288-F294 HydrophobicContact CB-CE2 4.35Å; A288-F294 HydrophobicContact CB-CZ 4.06Å; A288-F294 VanDerWaalsContact O-CB 3.29Å; A288-F294 WeakPolarHBondContact O-CB 3.39Å; A288-F294 WeakPolarHBondContact O-CD1 3.45Å; A288-F294 VanDerWaalsContact O-CG 3.3Å; A288-F294 WeakPolarHBondContact O-CG 3.33Å; A288-L306 HydrophobicContact CB-CD2 3.71Å; A288-L378 HydrophobicContact CB-CD2 3.66Å
289	K	97.9	Very high	97.1	Very high	100 Å²	100	51.4 Å²	51.4	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-21.9	179.7	-67.9	167.4	-171	166	0	114.2	V285 E286 F287 M295	V285-K289 WeakPolarHBondContact O-CG 3.47Å; V285-K289 PolarHBondContact O-N 3.2Å; E286-K289 IonicContact OE2-NZ 3.82Å; F287-K289 VanDerWaalsContact C-N 3.35Å; F287-K289 PolarHBondContact O-N 3.45Å; K289-M295 HydrophobicContact CB-SD 3.99Å; K289-M295 HydrophobicContact CG-SD 3.87Å; K289-M295 WeakPolarHBondContact O-CG 3.4Å
290	R	97.9	Very high	97.1	Very high	91 Å²	91	52.4 Å²	52.4	34%	0.343	26%	0.257	S	S	.	.	H	α-helix	trans	-93.4	-13.2	-179	-64.7	178.2	-176.2	-145.8	4.7	113.4	N229 S233 E236 E286 F287 A288 T292	N229-R290 PolarHBondContact ND2-O 3.07Å; N229-R290 PolarHBondContact OD1-O 3.37Å; S233-R290 VanDerWaalsContact OG-CB 3.26Å; S233-R290 WeakPolarHBondContact OG-CB 3.13Å; S233-R290 PolarHBondContact OG-O 3.26Å; E236-R290 IonicContact OE2-NH1 3.26Å; E236-R290 PolarHBondContact OE2-NH1 2.89Å; E286-R290 WeakPolarHBondContact O-CG 3.4Å; E286-R290 IonicContact OE1-CZ 2.84Å; E286-R290 VanDerWaalsContact OE1-CZ 3.29Å; E286-R290 IonicContact OE1-NE 3.78Å; E286-R290 PolarHBondContact OE1-NE 2.97Å; E286-R290 IonicContact OE1-NH2 3.81Å; E286-R290 PolarHBondContact OE1-NH2 3.31Å; F287-R290 PolarHBondContact O-N 3.23Å; A288-R290 PolarHBondContact O-N 2.94Å; A288-R290 VanDerWaalsContact O-N 3.14Å; R290-T292 PolarHBondContact O-N 3.04Å
291	I	97.9	Very high	97.1	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	25%	0.247	C	C	.	.	S	Bend	trans	-66.4	123	172.9	-59.8	166.2	0	0	0	108.9	I230 F287 A288 G293 F294 S375 L378 I379	I230-I291 HydrophobicContact CD1-CG2 4.37Å; I230-I291 HydrophobicContact CG1-CG1 4.47Å; I230-I291 HydrophobicContact CG1-CG2 4.15Å; F287-I291 HydrophobicContact CD1-CD1 4.27Å; F287-I291 HydrophobicContact CE1-CD1 3.94Å; F287-I291 HydrophobicContact CE2-CG1 4.42Å; F287-I291 HydrophobicContact CZ-CD1 4.13Å; F287-I291 HydrophobicContact CZ-CG1 4.37Å; F287-I291 PolarHBondContact O-N 3.08Å; A288-I291 WeakPolarHBondContact O-CB 3.48Å; A288-I291 PolarHBondContact O-N 3.46Å; A288-I291 VanDerWaalsContact O-N 3.16Å; I291-G293 PolarHBondContact O-N 3.42Å; I291-F294 HydrophobicContact CB-CB 4.13Å; I291-F294 WeakPolarHBondContact O-CB 3.12Å; I291-F294 PolarHBondContact O-N 3.12Å; I291-F294 VanDerWaalsContact O-N 3.08Å; I291-S375 WeakPolarHBondContact CD1-OG 3.32Å; I291-L378 HydrophobicContact CD1-CD2 4.26Å; I291-I379 HydrophobicContact CD1-CD1 3.97Å; I291-I379 HydrophobicContact CG2-CD1 3.86Å
292	T	94.8	Very high	97.2	Very high	46 Å²	46	52.5 Å²	52.5	28%	0.282	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	127.5	176.1	-62.4	0	0	0	0	109.7	N229 R290 L395	N229-T292 WeakPolarHBondContact OD1-CB 3.47Å; N229-T292 PolarHBondContact OD1-N 3.27Å; N229-T292 PolarHBondContact OD1-OG1 3.07Å; R290-T292 PolarHBondContact O-N 3.04Å; T292-L395 WeakPolarHBondContact O-CD1 3.44Å
293	G	94.9	Very high	97.1	Very high	13 Å²	13	51.2 Å²	51.2	13%	0.134	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-20.7	-177.3	0	0	0	0	0	115.5	I291 E296	I291-G293 PolarHBondContact O-N 3.42Å; G293-E296 WeakPolarHBondContact O-CB 3.43Å; G293-E296 PolarHBondContact O-N 3.46Å; G293-E296 VanDerWaalsContact O-N 3.16Å
294	F	97.8	Very high	97	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-64.3	-46.3	-179.4	-177.7	-91.6	0	0	0	112.1	A288 I291 E296 L297 Q302 L305 L306 I379	A288-F294 HydrophobicContact CB-CD1 4.32Å; A288-F294 HydrophobicContact CB-CE1 4.04Å; A288-F294 HydrophobicContact CB-CE2 4.35Å; A288-F294 HydrophobicContact CB-CZ 4.06Å; A288-F294 VanDerWaalsContact O-CB 3.29Å; A288-F294 WeakPolarHBondContact O-CB 3.39Å; A288-F294 WeakPolarHBondContact O-CD1 3.45Å; A288-F294 VanDerWaalsContact O-CG 3.3Å; A288-F294 WeakPolarHBondContact O-CG 3.33Å; I291-F294 HydrophobicContact CB-CB 4.13Å; I291-F294 WeakPolarHBondContact O-CB 3.12Å; I291-F294 PolarHBondContact O-N 3.12Å; I291-F294 VanDerWaalsContact O-N 3.08Å; F294-E296 PolarHBondContact O-N 3.49Å; F294-E296 VanDerWaalsContact O-N 3.15Å; F294-L297 HydrophobicContact CD2-CD1 4.27Å; F294-L297 WeakPolarHBondContact O-CB 3.34Å; F294-L297 WeakPolarHBondContact O-CG 3.39Å; F294-L297 PolarHBondContact O-N 3.46Å; F294-Q302 HydrophobicContact CD1-CG 4.31Å; F294-Q302 HydrophobicContact CE1-CB 3.93Å; F294-Q302 HydrophobicContact CE1-CG 3.8Å; F294-Q302 HydrophobicContact CZ-CB 3.84Å; F294-Q302 HydrophobicContact CZ-CG 3.99Å; F294-L305 HydrophobicContact CE2-CB 4.34Å; F294-L305 HydrophobicContact CE2-CD1 4.07Å; F294-L306 HydrophobicContact CZ-CD1 4.24Å; F294-L306 HydrophobicContact CZ-CD2 4.49Å; F294-L306 HydrophobicContact CZ-CG 4.08Å; F294-I379 HydrophobicContact CD2-CD1 4.19Å; F294-I379 HydrophobicContact CD2-CG1 4.25Å
295	M	97.2	Very high	97	Very high	107 Å²	107	48.9 Å²	48.9	53%	0.527	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-69	-7.9	177.6	-65.4	-58.5	-55.8	0	0	114	K289 Q302	K289-M295 HydrophobicContact CB-SD 3.99Å; K289-M295 HydrophobicContact CG-SD 3.87Å; K289-M295 WeakPolarHBondContact O-CG 3.4Å; M295-Q302 PolarHBondContact O-NE2 2.79Å
296	E	96.6	Very high	97	Very high	139 Å²	139	48.8 Å²	48.8	65%	0.65	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-91	-13.6	176.5	-58.8	172.2	-156.5	0	0	112.4	G293 F294 K391	G293-E296 WeakPolarHBondContact O-CB 3.43Å; G293-E296 PolarHBondContact O-N 3.46Å; G293-E296 VanDerWaalsContact O-N 3.16Å; F294-E296 PolarHBondContact O-N 3.49Å; F294-E296 VanDerWaalsContact O-N 3.15Å; E296-K391 VanDerWaalsContact O-CE 3.28Å; E296-K391 WeakPolarHBondContact O-CE 3.27Å; E296-K391 PolarHBondContact O-NZ 2.89Å
297	L	97	Very high	96.8	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	24%	0.241	C	C	.	.	S	Bend	trans	-68.2	155.2	171	-58.5	177.5	0	0	0	110.7	F294 Q302 L305 K391 V392 L395	F294-L297 HydrophobicContact CD2-CD1 4.27Å; F294-L297 WeakPolarHBondContact O-CB 3.34Å; F294-L297 WeakPolarHBondContact O-CG 3.39Å; F294-L297 PolarHBondContact O-N 3.46Å; L297-Q302 HydrophobicContact CB-CG 4.05Å; L297-Q302 PolarHBondContact O-NE2 3.15Å; L297-L305 HydrophobicContact CD1-CD1 3.61Å; L297-K391 HydrophobicContact CD2-CB 4.34Å; L297-K391 HydrophobicContact CD2-CD 3.97Å; L297-K391 HydrophobicContact CD2-CG 3.8Å; L297-V392 HydrophobicContact CD1-CG2 4.21Å; L297-V392 HydrophobicContact CD2-CG2 4.15Å; L297-L395 HydrophobicContact CD1-CD2 4.34Å
298	C	96.8	Very high	96.4	Very high	35 Å²	35	51.2 Å²	51.2	24%	0.236	26%	0.255	C	S	.	.			trans	-62.7	152.5	173.9	88.7	0	0	0	0	111.6	N300 D301 Q302 E388	C298-N300 VanDerWaalsContact C-N 3.26Å; C298-N300 PolarHBondContact O-N 2.9Å; C298-D301 PolarHBondContact O-N 2.98Å; C298-D301 VanDerWaalsContact O-N 3.12Å; C298-D301 PolarHBondContact SG-N 2.91Å; C298-D301 PolarHBondContact SG-OD2 3.08Å; C298-Q302 PolarHBondContact O-N 2.76Å; C298-E388 PolarHBondContact N-OE2 3.31Å
299	Q	96.7	Very high	96.3	Very high	150 Å²	150	51.2 Å²	51.2	70%	0.701	26%	0.255	S	S	*	.	H	α-helix	trans	-64.4	-30.6	-170.8	-157.6	170.9	43.8	0	0	113	I303	Q299-I303 WeakPolarHBondContact O-CD1 3.33Å; Q299-I303 VanDerWaalsContact O-CG1 3.27Å; Q299-I303 WeakPolarHBondContact O-CG1 3.39Å; Q299-I303 PolarHBondContact O-N 3.25Å; Q299-I303 VanDerWaalsContact O-N 3.13Å
300	N	95.8	Very high	96.3	Very high	92 Å²	92	46.5 Å²	46.5	49%	0.492	24%	0.235	S	C	.	.	H	α-helix	trans	-67.5	-43.3	174.9	-68.4	-7.8	0	0	0	111.5	C298 I303 L304 I387	C298-N300 VanDerWaalsContact C-N 3.26Å; C298-N300 PolarHBondContact O-N 2.9Å; N300-I303 PolarHBondContact O-N 2.92Å; N300-L304 WeakPolarHBondContact O-CG 3.41Å; N300-L304 PolarHBondContact O-N 3.4Å; N300-I387 HydrophobicContact CB-CD1 3.81Å; N300-I387 WeakPolarHBondContact ND2-CD1 3.4Å
301	D	97.4	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-40.6	177.7	-66.2	-14.8	0	0	0	111.2	C298 I303 L304 L305 L386 I387 E388	C298-D301 PolarHBondContact O-N 2.98Å; C298-D301 VanDerWaalsContact O-N 3.12Å; C298-D301 PolarHBondContact SG-N 2.91Å; C298-D301 PolarHBondContact SG-OD2 3.08Å; D301-I303 VanDerWaalsContact C-N 3.29Å; D301-I303 PolarHBondContact O-N 2.92Å; D301-L304 PolarHBondContact O-N 3.06Å; D301-L305 WeakPolarHBondContact O-CB 3.38Å; D301-L305 WeakPolarHBondContact O-CG 3.49Å; D301-L305 PolarHBondContact O-N 3.03Å; D301-L386 HydrophobicContact CB-CD2 3.81Å; D301-L386 WeakPolarHBondContact OD1-CA 3.27Å; D301-I387 PolarHBondContact OD1-N 3.22Å; D301-E388 WeakPolarHBondContact OD2-CB 3.3Å; D301-E388 PolarHBondContact OD2-N 3.04Å
302	Q	97.8	Very high	96.3	Very high	27 Å²	27	43.1 Å²	43.1	13%	0.126	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-42.9	172.5	-66.1	179.2	33	0	0	111.8	F294 M295 L297 C298 L306	F294-Q302 HydrophobicContact CD1-CG 4.31Å; F294-Q302 HydrophobicContact CE1-CB 3.93Å; F294-Q302 HydrophobicContact CE1-CG 3.8Å; F294-Q302 HydrophobicContact CZ-CB 3.84Å; F294-Q302 HydrophobicContact CZ-CG 3.99Å; M295-Q302 PolarHBondContact O-NE2 2.79Å; L297-Q302 HydrophobicContact CB-CG 4.05Å; L297-Q302 PolarHBondContact O-NE2 3.15Å; C298-Q302 PolarHBondContact O-N 2.76Å; Q302-L306 WeakPolarHBondContact O-CB 3.49Å; Q302-L306 WeakPolarHBondContact O-CD1 3.39Å; Q302-L306 VanDerWaalsContact O-CG 3.25Å; Q302-L306 WeakPolarHBondContact O-CG 3.05Å; Q302-L306 PolarHBondContact O-N 3.39Å; Q302-L306 VanDerWaalsContact O-N 3.16Å
303	I	95.5	Very high	96.5	Very high	76 Å²	76	41 Å²	41	39%	0.39	21%	0.21	S	C	.	.	H	α-helix	trans	-68	-43.4	178.1	-68.8	163.7	0	0	0	111.2	Q299 N300 D301 L306 K307	Q299-I303 WeakPolarHBondContact O-CD1 3.33Å; Q299-I303 VanDerWaalsContact O-CG1 3.27Å; Q299-I303 WeakPolarHBondContact O-CG1 3.39Å; Q299-I303 PolarHBondContact O-N 3.25Å; Q299-I303 VanDerWaalsContact O-N 3.13Å; N300-I303 PolarHBondContact O-N 2.92Å; D301-I303 VanDerWaalsContact C-N 3.29Å; D301-I303 PolarHBondContact O-N 2.92Å; I303-L306 PolarHBondContact O-N 3.37Å; I303-K307 HydrophobicContact CG2-CD 4.03Å; I303-K307 HydrophobicContact CG2-CG 4.34Å; I303-K307 WeakPolarHBondContact O-CB 3.34Å; I303-K307 WeakPolarHBondContact O-CG 3.37Å; I303-K307 PolarHBondContact O-N 3.08Å
304	L	95.6	Very high	96.6	Very high	45 Å²	45	41.6 Å²	41.6	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-48.8	179.1	-72.9	169.5	0	0	0	111.5	N300 D301 L306 K307 S308 W385 L386	N300-L304 WeakPolarHBondContact O-CG 3.41Å; N300-L304 PolarHBondContact O-N 3.4Å; D301-L304 PolarHBondContact O-N 3.06Å; L304-L306 VanDerWaalsContact C-N 3.32Å; L304-L306 PolarHBondContact O-N 3.34Å; L304-K307 PolarHBondContact O-N 2.86Å; L304-S308 PolarHBondContact O-N 2.97Å; L304-S308 PolarHBondContact O-OG 3.16Å; L304-S308 VanDerWaalsContact O-OG 3.08Å; L304-W385 VanDerWaalsContact CD1-C 3.5Å; L304-W385 HydrophobicContact CD1-CB 4.11Å; L304-W385 VanDerWaalsContact CD1-O 3.24Å; L304-W385 WeakPolarHBondContact CD1-O 3.41Å; L304-L386 HydrophobicContact CB-CD2 4.18Å; L304-L386 HydrophobicContact CD1-CD2 4.27Å
305	L	97.3	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.2	-42.3	177.3	-68.3	172.5	0	0	0	112	F294 L297 D301 G309 S380 R383 L386 V392	F294-L305 HydrophobicContact CE2-CB 4.34Å; F294-L305 HydrophobicContact CE2-CD1 4.07Å; L297-L305 HydrophobicContact CD1-CD1 3.61Å; D301-L305 WeakPolarHBondContact O-CB 3.38Å; D301-L305 WeakPolarHBondContact O-CG 3.49Å; D301-L305 PolarHBondContact O-N 3.03Å; L305-G309 WeakPolarHBondContact O-CA 3.37Å; L305-G309 PolarHBondContact O-N 2.85Å; L305-S380 VanDerWaalsContact CD2-O 3.28Å; L305-S380 WeakPolarHBondContact CD2-O 3.3Å; L305-R383 HydrophobicContact CD2-CG 3.92Å; L305-L386 HydrophobicContact CD2-CD2 4.35Å; L305-L386 HydrophobicContact CG-CD2 4.27Å; L305-V392 HydrophobicContact CD1-CG1 4.23Å; L305-V392 HydrophobicContact CD1-CG2 4.25Å; L305-V392 HydrophobicContact CD2-CG1 4.03Å
306	L	96.9	Very high	96.6	Very high	25 Å²	25	37.1 Å²	37.1	13%	0.131	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-43.4	175.1	-71.6	169.7	0	0	0	112.1	V285 A288 F294 Q302 I303 L304 S308 C310 L378	V285-L306 HydrophobicContact CG2-CD2 4.12Å; A288-L306 HydrophobicContact CB-CD2 3.71Å; F294-L306 HydrophobicContact CZ-CD1 4.24Å; F294-L306 HydrophobicContact CZ-CD2 4.49Å; F294-L306 HydrophobicContact CZ-CG 4.08Å; Q302-L306 WeakPolarHBondContact O-CB 3.49Å; Q302-L306 WeakPolarHBondContact O-CD1 3.39Å; Q302-L306 VanDerWaalsContact O-CG 3.25Å; Q302-L306 WeakPolarHBondContact O-CG 3.05Å; Q302-L306 PolarHBondContact O-N 3.39Å; Q302-L306 VanDerWaalsContact O-N 3.16Å; I303-L306 PolarHBondContact O-N 3.37Å; L304-L306 VanDerWaalsContact C-N 3.32Å; L304-L306 PolarHBondContact O-N 3.34Å; L306-S308 PolarHBondContact O-N 2.89Å; L306-C310 WeakPolarHBondContact O-CB 3.35Å; L306-C310 PolarHBondContact O-N 2.96Å; L306-C310 VanDerWaalsContact O-N 3.07Å; L306-C310 PolarHBondContact O-SG 3.37Å; L306-L378 HydrophobicContact CD2-CD1 4.39Å
307	K	93.4	Very high	96.6	Very high	75 Å²	75	31.8 Å²	31.8	33%	0.326	16%	0.164	S	C	.	.	H	α-helix	trans	-59.2	-43.6	179.4	-83	-174.6	-179.3	-123.4	0	112.8	I303 L304 E459 L460	I303-K307 HydrophobicContact CG2-CD 4.03Å; I303-K307 HydrophobicContact CG2-CG 4.34Å; I303-K307 WeakPolarHBondContact O-CB 3.34Å; I303-K307 WeakPolarHBondContact O-CG 3.37Å; I303-K307 PolarHBondContact O-N 3.08Å; L304-K307 PolarHBondContact O-N 2.86Å; K307-E459 PolarHBondContact NZ-O 2.99Å; K307-L460 HydrophobicContact CB-CD2 4.48Å; K307-L460 HydrophobicContact CG-CD2 3.86Å
308	S	91.7	Very high	96.5	Very high	42 Å²	42	33 Å²	33	29%	0.294	17%	0.17	S	C	.	.	H	α-helix	trans	-85.9	-38.4	179.3	56.4	0	0	0	0	113.7	L304 L306 R383	L304-S308 PolarHBondContact O-N 2.97Å; L304-S308 PolarHBondContact O-OG 3.16Å; L304-S308 VanDerWaalsContact O-OG 3.08Å; L306-S308 PolarHBondContact O-N 2.89Å; S308-R383 WeakPolarHBondContact OG-CD 3.41Å; S308-R383 WeakPolarHBondContact OG-CG 3.4Å; S308-R383 PolarHBondContact OG-NE 3.22Å
309	G	96.4	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-91.3	-16	-169.5	0	0	0	0	0	115.6	L305 L311 E312 V313	L305-G309 WeakPolarHBondContact O-CA 3.37Å; L305-G309 PolarHBondContact O-N 2.85Å; G309-L311 PolarHBondContact O-N 2.8Å; G309-E312 WeakPolarHBondContact O-CB 3.3Å; G309-E312 PolarHBondContact O-N 3.41Å; G309-V313 WeakPolarHBondContact O-CG2 3.31Å; G309-V313 PolarHBondContact O-N 3.02Å
310	C	97.3	Very high	96.3	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-42.3	-174.9	-89.8	0	0	0	0	113.7	I281 V284 L306 V314	I281-C310 HydrophobicContact CG1-CB 4.24Å; I281-C310 HydrophobicContact CG2-CB 4.3Å; V284-C310 HydrophobicContact CG1-CB 4.47Å; L306-C310 WeakPolarHBondContact O-CB 3.35Å; L306-C310 PolarHBondContact O-N 2.96Å; L306-C310 VanDerWaalsContact O-N 3.07Å; L306-C310 PolarHBondContact O-SG 3.37Å; C310-V314 WeakPolarHBondContact O-CG2 3.39Å; C310-V314 PolarHBondContact O-N 3.06Å; C310-V314 VanDerWaalsContact O-N 3.1Å
311	L	97.4	Very high	96.2	Very high	14 Å²	14	22.9 Å²	22.9	7%	0.073	12%	0.119	C	C	.	.	H	α-helix	trans	-69.6	-37.3	178.6	-174	59.8	0	0	0	111.8	I277 G309 V313 V314 L315 C431 H434 F461	I277-L311 HydrophobicContact CG2-CD1 4.38Å; G309-L311 PolarHBondContact O-N 2.8Å; L311-V313 VanDerWaalsContact C-N 3.34Å; L311-V313 PolarHBondContact O-N 2.69Å; L311-V314 WeakPolarHBondContact O-CB 3.47Å; L311-V314 PolarHBondContact O-N 3.05Å; L311-V314 VanDerWaalsContact O-N 3.11Å; L311-L315 WeakPolarHBondContact O-CG 2.79Å; L311-L315 PolarHBondContact O-N 3.27Å; L311-C431 HydrophobicContact CD2-CB 4.16Å; L311-H434 HydrophobicContact CD2-CB 3.94Å; L311-H434 WeakPolarHBondContact CD2-ND1 3.5Å; L311-F461 HydrophobicContact CB-CE1 3.91Å; L311-F461 HydrophobicContact CB-CZ 3.94Å; L311-F461 HydrophobicContact CD1-CZ 4.33Å; L311-F461 HydrophobicContact CD2-CE1 3.91Å; L311-F461 HydrophobicContact CD2-CZ 4.23Å; L311-F461 HydrophobicContact CG-CE1 4.43Å; L311-F461 HydrophobicContact CG-CZ 4.41Å
312	E	97.9	Very high	96.1	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.047	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-44.1	176.7	-59.2	-178.3	-176.5	0	0	111.3	G309 L315 V316 V377 R383 I427 C431	G309-E312 WeakPolarHBondContact O-CB 3.3Å; G309-E312 PolarHBondContact O-N 3.41Å; E312-L315 PolarHBondContact O-N 3.32Å; E312-V316 WeakPolarHBondContact O-CG2 3.36Å; E312-V316 PolarHBondContact O-N 3.27Å; E312-V377 HydrophobicContact CB-CG1 3.58Å; E312-V377 VanDerWaalsContact OE2-CG1 3.23Å; E312-V377 WeakPolarHBondContact OE2-CG1 3.39Å; E312-R383 VanDerWaalsContact CD-NH2 3.34Å; E312-R383 IonicContact OE1-CZ 3.2Å; E312-R383 IonicContact OE1-NH1 3.54Å; E312-R383 PolarHBondContact OE1-NH1 3.36Å; E312-R383 IonicContact OE1-NH2 3.85Å; E312-R383 PolarHBondContact OE1-NH2 3.29Å; E312-R383 IonicContact OE2-CZ 2.82Å; E312-R383 IonicContact OE2-NH1 3.52Å; E312-R383 PolarHBondContact OE2-NH1 3.18Å; E312-R383 IonicContact OE2-NH2 2.65Å; E312-R383 PolarHBondContact OE2-NH2 3.15Å; E312-I427 HydrophobicContact CB-CG2 3.49Å; E312-I427 VanDerWaalsContact CB-CG2 3.49Å; E312-I427 HydrophobicContact CG-CG2 3.74Å; E312-C431 HydrophobicContact CG-CB 4.49Å; E312-C431 VanDerWaalsContact CG-SG 3.52Å
313	V	98.3	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-34.7	174.1	178.8	0	0	0	0	112.1	V284 G309 L311 V316 R317 S374 L378	V284-V313 HydrophobicContact CB-CG1 4.4Å; V284-V313 HydrophobicContact CG1-CB 3.84Å; V284-V313 HydrophobicContact CG1-CG1 3.84Å; V284-V313 HydrophobicContact CG1-CG2 4.24Å; V284-V313 HydrophobicContact CG2-CB 4.09Å; V284-V313 HydrophobicContact CG2-CG1 3.65Å; G309-V313 WeakPolarHBondContact O-CG2 3.31Å; G309-V313 PolarHBondContact O-N 3.02Å; L311-V313 VanDerWaalsContact C-N 3.34Å; L311-V313 PolarHBondContact O-N 2.69Å; V313-V316 PolarHBondContact O-N 3.27Å; V313-R317 HydrophobicContact CG1-CG 4.24Å; V313-R317 WeakPolarHBondContact O-CB 3.46Å; V313-R317 VanDerWaalsContact O-CG 3.31Å; V313-R317 WeakPolarHBondContact O-CG 3.23Å; V313-R317 PolarHBondContact O-N 2.64Å; V313-S374 WeakPolarHBondContact CG2-O 3.39Å; V313-L378 HydrophobicContact CG2-CB 3.81Å; V313-L378 HydrophobicContact CG2-CD1 4.31Å
314	V	97.9	Very high	95.7	Very high	26 Å²	26	22.9 Å²	22.9	16%	0.158	13%	0.125	C	C	.	.	H	α-helix	trans	-63.7	-42.5	173.7	168.9	0	0	0	0	110.8	A280 I281 V284 C310 L311 R317 M318	A280-V314 HydrophobicContact CB-CG1 4.14Å; A280-V314 HydrophobicContact CB-CG2 3.81Å; I281-V314 HydrophobicContact CG1-CG2 4.03Å; V284-V314 HydrophobicContact CG2-CG2 4.02Å; C310-V314 WeakPolarHBondContact O-CG2 3.39Å; C310-V314 PolarHBondContact O-N 3.06Å; C310-V314 VanDerWaalsContact O-N 3.1Å; L311-V314 WeakPolarHBondContact O-CB 3.47Å; L311-V314 PolarHBondContact O-N 3.05Å; L311-V314 VanDerWaalsContact O-N 3.11Å; V314-R317 PolarHBondContact O-N 3.33Å; V314-M318 PolarHBondContact O-N 3.34Å
315	L	97.7	Very high	95.3	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.073	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-46.3	174	-69.6	173.3	0	0	0	111.8	L311 E312 R317 M318 A353 F356 I427 V430 C431	L311-L315 WeakPolarHBondContact O-CG 2.79Å; L311-L315 PolarHBondContact O-N 3.27Å; E312-L315 PolarHBondContact O-N 3.32Å; L315-R317 VanDerWaalsContact C-N 3.34Å; L315-R317 PolarHBondContact O-N 3.05Å; L315-M318 WeakPolarHBondContact O-CB 3.45Å; L315-M318 PolarHBondContact O-N 3.13Å; L315-M318 VanDerWaalsContact O-N 3.13Å; L315-A353 HydrophobicContact CD2-CB 4.44Å; L315-F356 HydrophobicContact CB-CD1 4.31Å; L315-F356 HydrophobicContact CB-CE1 4.08Å; L315-F356 WeakPolarHBondContact O-CE1 3.47Å; L315-I427 HydrophobicContact CD1-CG2 4.37Å; L315-V430 HydrophobicContact CD1-CB 3.78Å; L315-V430 HydrophobicContact CD1-CG1 3.6Å; L315-V430 HydrophobicContact CD2-CG1 3.93Å; L315-V430 HydrophobicContact CG-CG1 4.45Å; L315-C431 VanDerWaalsContact CD1-SG 3.59Å
316	V	98	Very high	95	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-47.2	174.6	170.3	0	0	0	0	110.9	E312 V313 M318 C319 L360 I370 F373 I427	E312-V316 WeakPolarHBondContact O-CG2 3.36Å; E312-V316 PolarHBondContact O-N 3.27Å; V313-V316 PolarHBondContact O-N 3.27Å; V316-M318 PolarHBondContact O-N 3.48Å; V316-C319 PolarHBondContact O-N 2.96Å; V316-C319 PolarHBondContact O-SG 3.28Å; V316-L360 HydrophobicContact CG1-CD2 4.32Å; V316-I370 HydrophobicContact CG1-CG2 4.34Å; V316-F373 HydrophobicContact CG1-CD1 3.84Å; V316-F373 HydrophobicContact CG1-CE1 4.39Å; V316-F373 HydrophobicContact CG2-CD1 4.02Å; V316-F373 HydrophobicContact CG2-CE1 3.8Å; V316-I427 HydrophobicContact CG2-CD1 3.66Å
317	R	96.3	Very high	94.8	Very high	27 Å²	27	32.7 Å²	32.7	10%	0.102	18%	0.177	C	C	.	.	H	α-helix	trans	-69.7	-17.1	179.2	-71.4	178.2	173	-152.8	-7.2	113.7	H234 T237 V313 V314 L315 C319 R320	H234-R317 VanDerWaalsContact CE1-CZ 3.48Å; H234-R317 PolarHBondContact CE1-NE 3.33Å; H234-R317 VanDerWaalsContact CE1-NE 3.35Å; H234-R317 PolarHBondContact CE1-NH2 2.92Å; H234-R317 PolarHBondContact ND1-NH2 3.31Å; T237-R317 PolarHBondContact O-NH1 3.47Å; V313-R317 HydrophobicContact CG1-CG 4.24Å; V313-R317 WeakPolarHBondContact O-CB 3.46Å; V313-R317 VanDerWaalsContact O-CG 3.31Å; V313-R317 WeakPolarHBondContact O-CG 3.23Å; V313-R317 PolarHBondContact O-N 2.64Å; V314-R317 PolarHBondContact O-N 3.33Å; L315-R317 VanDerWaalsContact C-N 3.34Å; L315-R317 PolarHBondContact O-N 3.05Å; R317-C319 PolarHBondContact O-N 2.73Å; R317-R320 WeakPolarHBondContact O-CB 3.38Å; R317-R320 PolarHBondContact O-N 3.47Å
318	M	94.4	Very high	94.9	Very high	33 Å²	33	29.8 Å²	29.8	16%	0.163	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-29.4	174.9	-171.9	177.7	160.3	0	0	111.9	V314 L315 V316 R320 A321 F322 V329 F354 A357	V314-M318 PolarHBondContact O-N 3.34Å; L315-M318 WeakPolarHBondContact O-CB 3.45Å; L315-M318 PolarHBondContact O-N 3.13Å; L315-M318 VanDerWaalsContact O-N 3.13Å; V316-M318 PolarHBondContact O-N 3.48Å; M318-R320 VanDerWaalsContact C-N 3.26Å; M318-R320 PolarHBondContact O-N 3.38Å; M318-A321 CarbonylContact O-C 3.58Å; M318-A321 WeakPolarHBondContact O-CA 3.22Å; M318-A321 PolarHBondContact O-N 3.16Å; M318-F322 WeakPolarHBondContact O-CB 3.32Å; M318-F322 PolarHBondContact O-N 3.19Å; M318-V329 HydrophobicContact CE-CB 4.24Å; M318-V329 HydrophobicContact CE-CG2 3.93Å; M318-V329 HydrophobicContact CG-CG2 3.94Å; M318-F354 HydrophobicContact CE-CD2 4.09Å; M318-F354 HydrophobicContact CE-CE2 4.31Å; M318-A357 HydrophobicContact CE-CB 3.96Å; M318-A357 HydrophobicContact CG-CB 4.14Å; M318-A357 HydrophobicContact SD-CB 4.19Å
319	C	94.5	Very high	95.1	Very high	13 Å²	13	28.3 Å²	28.3	9%	0.088	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-64	-27.7	178.3	77.6	0	0	0	0	113.5	V316 R317 A321 F322 L360 C361	V316-C319 PolarHBondContact O-N 2.96Å; V316-C319 PolarHBondContact O-SG 3.28Å; R317-C319 PolarHBondContact O-N 2.73Å; C319-A321 VanDerWaalsContact C-N 3.28Å; C319-F322 PolarHBondContact O-N 3.25Å; C319-L360 HydrophobicContact CB-CB 4.1Å; C319-L360 HydrophobicContact CB-CD2 3.9Å; C319-L360 HydrophobicContact CB-CG 4.09Å; C319-C361 PolarHBondContact O-SG 3.05Å
320	R	94.6	Very high	95	Very high	29 Å²	29	29.2 Å²	29.2	11%	0.109	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-67.7	-33.4	172.1	-58.5	173.9	72.3	-104.5	5	111.6	H234 C238 Y240 L245 R317 M318 E367 I370	H234-R320 WeakPolarHBondContact NE2-CD 3.36Å; C238-R320 VanDerWaalsContact SG-CZ 3.54Å; Y240-R320 PolarHBondContact O-NH1 3.26Å; Y240-R320 VanDerWaalsContact O-NH1 3.16Å; Y240-R320 PolarHBondContact O-NH2 2.93Å; L245-R320 HydrophobicContact CD1-CB 4.16Å; R317-R320 WeakPolarHBondContact O-CB 3.38Å; R317-R320 PolarHBondContact O-N 3.47Å; M318-R320 VanDerWaalsContact C-N 3.26Å; M318-R320 PolarHBondContact O-N 3.38Å; R320-E367 WeakPolarHBondContact CD-OE1 3.49Å; R320-E367 IonicContact CZ-OE1 2.68Å; R320-E367 IonicContact CZ-OE2 2.65Å; R320-E367 VanDerWaalsContact CZ-OE2 3.28Å; R320-E367 VanDerWaalsContact NE-CD 3.29Å; R320-E367 IonicContact NE-OE1 2.66Å; R320-E367 PolarHBondContact NE-OE1 3.49Å; R320-E367 IonicContact NE-OE2 3.21Å; R320-E367 PolarHBondContact NE-OE2 2.96Å; R320-E367 IonicContact NH2-OE1 3.41Å; R320-E367 IonicContact NH2-OE2 3.61Å; R320-E367 PolarHBondContact NH2-OE2 3.17Å; R320-I370 HydrophobicContact CG-CD1 3.96Å; R320-I370 HydrophobicContact CG-CG2 4.34Å
321	A	94.3	Very high	94.9	Very high	21 Å²	21	30.2 Å²	30.2	17%	0.174	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-94	6.8	-177.3	0	0	0	0	0	113	M318 C319 V329 L330 Y335	M318-A321 CarbonylContact O-C 3.58Å; M318-A321 WeakPolarHBondContact O-CA 3.22Å; M318-A321 PolarHBondContact O-N 3.16Å; C319-A321 VanDerWaalsContact C-N 3.28Å; A321-V329 HydrophobicContact CB-CG2 4.44Å; A321-V329 CarbonylContact O-C 3.6Å; A321-V329 WeakPolarHBondContact O-CA 3.44Å; A321-V329 WeakPolarHBondContact O-CG2 3.37Å; A321-L330 HydrophobicContact CB-CB 4.11Å; A321-L330 PolarHBondContact O-N 2.83Å; A321-Y335 VanDerWaalsContact O-CE1 3.25Å; A321-Y335 WeakPolarHBondContact O-CE1 3.4Å
322	F	95.6	Very high	94.6	Very high	10 Å²	10	33.8 Å²	33.8	4%	0.044	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.9	-175.6	-173.5	-96.8	0	0	0	111.1	M318 C319 P324 T328 V329 F354 A357 K358	M318-F322 WeakPolarHBondContact O-CB 3.32Å; M318-F322 PolarHBondContact O-N 3.19Å; C319-F322 PolarHBondContact O-N 3.25Å; F322-P324 HydrophobicContact CD1-CB 4.33Å; F322-P324 HydrophobicContact CE1-CB 4.08Å; F322-P324 WeakPolarHBondContact O-CD 3.44Å; F322-T328 WeakPolarHBondContact CD2-O 3.42Å; F322-V329 HydrophobicContact CD2-CB 4.28Å; F322-F354 AromaticContact CE2-CD1 3.72Å; F322-F354 HydrophobicContact CE2-CD1 3.72Å; F322-F354 HydrophobicContact CE2-CE1 4.2Å; F322-F354 HydrophobicContact CE2-CG 4.31Å; F322-A357 HydrophobicContact CB-CB 4.16Å; F322-A357 HydrophobicContact CD1-CB 4.41Å; F322-A357 HydrophobicContact CD2-CB 3.83Å; F322-A357 HydrophobicContact CE2-CB 4.3Å; F322-A357 HydrophobicContact CG-CB 3.89Å; F322-K358 HydrophobicContact CE1-CB 3.67Å; F322-K358 HydrophobicContact CE1-CG 4.17Å; F322-K358 HydrophobicContact CZ-CB 3.84Å; F322-K358 HydrophobicContact CZ-CG 4.49Å
323	N	92.9	Very high	94.3	Very high	24 Å²	24	34.1 Å²	34.1	13%	0.128	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	104.5	175.5	-176	-18.4	0	0	0	109.4	L325 N326 N327 T328 Y335	N323-L325 VanDerWaalsContact C-N 3.25Å; N323-L325 PolarHBondContact O-N 3.19Å; N323-L325 WeakPolarHBondContact OD1-CB 3.25Å; N323-L325 PolarHBondContact OD1-N 3.16Å; N323-N326 WeakPolarHBondContact CB-OD1 3.5Å; N323-N326 PolarHBondContact O-OD1 3.32Å; N323-N327 WeakPolarHBondContact O-CA 3.35Å; N323-N327 PolarHBondContact O-N 2.95Å; N323-T328 PolarHBondContact N-O 3.16Å; N323-T328 PolarHBondContact O-N 3.25Å; N323-Y335 HydrophobicContact CB-CD1 3.9Å; N323-Y335 HydrophobicContact CB-CE1 3.83Å
324	P	90.4	Very high	94.1	Very high	70 Å²	70	36.8 Å²	36.8	46%	0.455	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14	-177	30.1	-35.9	0	0	0	113.8	F322 C361	F322-P324 HydrophobicContact CD1-CB 4.33Å; F322-P324 HydrophobicContact CE1-CB 4.08Å; F322-P324 WeakPolarHBondContact O-CD 3.44Å; P324-C361 HydrophobicContact CG-CB 4.43Å
325	L	88.6	Confident	94	Very high	163 Å²	163	36 Å²	36	85%	0.853	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-34.9	-178.9	-60.2	175.3	0	0	0	112.5	N323	N323-L325 VanDerWaalsContact C-N 3.25Å; N323-L325 PolarHBondContact O-N 3.19Å; N323-L325 WeakPolarHBondContact OD1-CB 3.25Å; N323-L325 PolarHBondContact OD1-N 3.16Å
326	N	89.6	Confident	93.8	Very high	73 Å²	73	35.5 Å²	35.5	39%	0.39	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	5.6	-178.2	64.9	6.1	0	0	0	113.2	N323 T328	N323-N326 WeakPolarHBondContact CB-OD1 3.5Å; N323-N326 PolarHBondContact O-OD1 3.32Å; N326-T328 HydrophobicContact CB-CG2 4.47Å; N326-T328 PolarHBondContact ND2-OG1 2.85Å; N326-T328 WeakPolarHBondContact OD1-CB 3.35Å; N326-T328 PolarHBondContact OD1-N 3.28Å; N326-T328 PolarHBondContact OD1-OG1 3.17Å
327	N	93.4	Very high	93.7	Very high	40 Å²	40	35.5 Å²	35.5	21%	0.214	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	47.9	177.8	-157.6	76.9	0	0	0	113	N323	N323-N327 WeakPolarHBondContact O-CA 3.35Å; N323-N327 PolarHBondContact O-N 2.95Å
328	T	95.4	Very high	93.7	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.08	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	153.3	-179.7	62.7	0	0	0	0	112.2	F322 N323 N326 Y335 G336	F322-T328 WeakPolarHBondContact CD2-O 3.42Å; N323-T328 PolarHBondContact N-O 3.16Å; N323-T328 PolarHBondContact O-N 3.25Å; N326-T328 HydrophobicContact CB-CG2 4.47Å; N326-T328 PolarHBondContact ND2-OG1 2.85Å; N326-T328 WeakPolarHBondContact OD1-CB 3.35Å; N326-T328 PolarHBondContact OD1-N 3.28Å; N326-T328 PolarHBondContact OD1-OG1 3.17Å; T328-Y335 WeakPolarHBondContact OG1-CD1 3.4Å; T328-G336 CarbonylContact C-O 3.57Å; T328-G336 VanDerWaalsContact CA-O 3.32Å; T328-G336 WeakPolarHBondContact CA-O 3.33Å; T328-G336 WeakPolarHBondContact CB-O 3.31Å
329	V	95.9	Very high	93.6	Very high	12 Å²	12	39.8 Å²	39.8	7%	0.073	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.7	172.4	71.4	0	0	0	0	110	M318 A321 F322 F331 Y335 G336 F341 F354	M318-V329 HydrophobicContact CE-CB 4.24Å; M318-V329 HydrophobicContact CE-CG2 3.93Å; M318-V329 HydrophobicContact CG-CG2 3.94Å; A321-V329 HydrophobicContact CB-CG2 4.44Å; A321-V329 CarbonylContact O-C 3.6Å; A321-V329 WeakPolarHBondContact O-CA 3.44Å; A321-V329 WeakPolarHBondContact O-CG2 3.37Å; F322-V329 HydrophobicContact CD2-CB 4.28Å; V329-F331 PolarHBondContact O-N 3.03Å; V329-Y335 WeakPolarHBondContact O-CA 3.37Å; V329-G336 PolarHBondContact N-O 2.82Å; V329-G336 PolarHBondContact O-N 3.12Å; V329-F341 HydrophobicContact CG1-CE2 4.13Å; V329-F341 HydrophobicContact CG1-CZ 4.37Å; V329-F354 HydrophobicContact CB-CZ 4.22Å; V329-F354 HydrophobicContact CG1-CE1 4.45Å; V329-F354 HydrophobicContact CG1-CE2 4.06Å; V329-F354 HydrophobicContact CG1-CZ 3.64Å
330	L	95.4	Very high	93.7	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.099	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	116	170.3	-176.1	68	0	0	0	109.8	Y240 L245 L248 A321 G333 K334 Y335	Y240-L330 HydrophobicContact CD2-CD2 3.74Å; Y240-L330 HydrophobicContact CE2-CD2 3.57Å; Y240-L330 HydrophobicContact CG-CD2 4.32Å; L245-L330 HydrophobicContact CD2-CD2 3.7Å; L248-L330 HydrophobicContact CB-CD1 4.28Å; L248-L330 HydrophobicContact CD1-CD1 4.11Å; L248-L330 HydrophobicContact CD1-CD2 4Å; A321-L330 HydrophobicContact CB-CB 4.11Å; A321-L330 PolarHBondContact O-N 2.83Å; L330-G333 VanDerWaalsContact CD1-C 3.45Å; L330-K334 WeakPolarHBondContact CA-O 3.43Å; L330-Y335 HydrophobicContact CB-CD2 4.39Å; L330-Y335 HydrophobicContact CB-CE1 4.17Å; L330-Y335 HydrophobicContact CB-CE2 4.04Å; L330-Y335 HydrophobicContact CD1-CD2 3.88Å; L330-Y335 HydrophobicContact CD1-CE2 3.79Å; L330-Y335 HydrophobicContact CG-CE2 4.41Å
331	F	94.6	Very high	93.7	Very high	22 Å²	22	38.5 Å²	38.5	10%	0.096	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.8	175.4	-165.9	-100.2	0	0	0	108.5	H253 Y261 Q272 Q276 V329 G333 K334 M340 F341	H253-F331 PolarHBondContact NE2-O 2.98Å; Y261-F331 HydrophobicContact CE1-CD1 4.23Å; Y261-F331 AromaticContact CE1-CE1 3.82Å; Y261-F331 HydrophobicContact CE1-CE1 3.82Å; Q272-F331 HydrophobicContact CG-CE1 4.47Å; Q272-F331 HydrophobicContact CG-CZ 4.42Å; Q276-F331 HydrophobicContact CB-CE2 4.08Å; Q276-F331 HydrophobicContact CG-CE2 3.86Å; Q276-F331 HydrophobicContact CG-CZ 3.89Å; V329-F331 PolarHBondContact O-N 3.03Å; F331-G333 PolarHBondContact O-N 3.29Å; F331-G333 VanDerWaalsContact O-N 3.12Å; F331-K334 PolarHBondContact N-O 2.79Å; F331-K334 PolarHBondContact O-N 3.28Å; F331-K334 VanDerWaalsContact O-N 3.13Å; F331-M340 HydrophobicContact CB-CE 4.04Å; F331-F341 HydrophobicContact CB-CZ 4.18Å; F331-F341 HydrophobicContact CD1-CE1 4.29Å; F331-F341 HydrophobicContact CD1-CZ 4.31Å; F331-F341 AromaticContact CD2-CE1 3.81Å; F331-F341 HydrophobicContact CD2-CE1 3.81Å; F331-F341 AromaticContact CD2-CZ 3.7Å; F331-F341 HydrophobicContact CD2-CZ 3.7Å; F331-F341 HydrophobicContact CE1-CE1 4.24Å; F331-F341 AromaticContact CE2-CE1 3.74Å; F331-F341 HydrophobicContact CE2-CE1 3.74Å; F331-F341 HydrophobicContact CE2-CZ 4.14Å; F331-F341 HydrophobicContact CG-CE1 4.09Å; F331-F341 AromaticContact CG-CZ 3.8Å; F331-F341 HydrophobicContact CG-CZ 3.8Å; F331-F341 AromaticContact CZ-CE1 3.97Å; F331-F341 HydrophobicContact CZ-CE1 3.97Å
332	E	91	Very high	93.7	Very high	90 Å²	90	43.9 Å²	43.9	42%	0.421	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	35.4	-177.4	-56.2	-159	159.5	0	0	115.5	Y261 Q272 Q276	Y261-E332 PolarHBondContact OH-OE2 3.4Å; Q272-E332 VanDerWaalsContact CG-OE1 3.29Å; Q272-E332 WeakPolarHBondContact CG-OE1 3.42Å; Q272-E332 PolarHBondContact NE2-OE1 3.19Å; Q272-E332 PolarHBondContact NE2-OE2 3.06Å; Q276-E332 HydrophobicContact CG-CG 4.18Å; Q276-E332 PolarHBondContact NE2-OE1 3.23Å
333	G	90.9	Very high	93.7	Very high	17 Å²	17	44.3 Å²	44.3	18%	0.175	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	2.9	176.1	0	0	0	0	0	115.1	L330 F331	L330-G333 VanDerWaalsContact CD1-C 3.45Å; F331-G333 PolarHBondContact O-N 3.29Å; F331-G333 VanDerWaalsContact O-N 3.12Å
334	K	94.8	Very high	93.8	Very high	56 Å²	56	43.7 Å²	43.7	24%	0.243	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.2	171.1	-71.2	-179	175.8	-174.5	0	111.8	Q251 E257 L330 F331	Q251-K334 CarbonylContact O-C 3.59Å; Q251-K334 VanDerWaalsContact O-CA 3.27Å; Q251-K334 WeakPolarHBondContact O-CA 3.3Å; Q251-K334 WeakPolarHBondContact O-CB 3.46Å; E257-K334 IonicContact OE1-NZ 3.69Å; E257-K334 PolarHBondContact OE1-NZ 3.34Å; E257-K334 WeakPolarHBondContact OE2-CD 3.38Å; E257-K334 IonicContact OE2-NZ 2.89Å; E257-K334 PolarHBondContact OE2-NZ 3.06Å; L330-K334 WeakPolarHBondContact CA-O 3.43Å; F331-K334 PolarHBondContact N-O 2.79Å; F331-K334 PolarHBondContact O-N 3.28Å; F331-K334 VanDerWaalsContact O-N 3.13Å
335	Y	94.9	Very high	94	Very high	9 Å²	9	43 Å²	43	4%	0.035	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.5	175.5	-81.5	-97.6	0	0	0	111.2	L248 Q251 T252 H253 A321 N323 T328 V329 L330	L248-Y335 HydrophobicContact CB-CE2 4.02Å; L248-Y335 WeakPolarHBondContact O-CD2 3.26Å; Q251-Y335 PolarHBondContact O-N 3.13Å; T252-Y335 CarbonylContact C-O 3.51Å; T252-Y335 VanDerWaalsContact CA-O 3.25Å; T252-Y335 WeakPolarHBondContact CA-O 3.45Å; H253-Y335 PolarHBondContact N-O 3.44Å; A321-Y335 VanDerWaalsContact O-CE1 3.25Å; A321-Y335 WeakPolarHBondContact O-CE1 3.4Å; N323-Y335 HydrophobicContact CB-CD1 3.9Å; N323-Y335 HydrophobicContact CB-CE1 3.83Å; T328-Y335 WeakPolarHBondContact OG1-CD1 3.4Å; V329-Y335 WeakPolarHBondContact O-CA 3.37Å; L330-Y335 HydrophobicContact CB-CD2 4.39Å; L330-Y335 HydrophobicContact CB-CE1 4.17Å; L330-Y335 HydrophobicContact CB-CE2 4.04Å; L330-Y335 HydrophobicContact CD1-CD2 3.88Å; L330-Y335 HydrophobicContact CD1-CE2 3.79Å; L330-Y335 HydrophobicContact CG-CE2 4.41Å
336	G	95.3	Very high	94.2	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156.8	174	0	0	0	0	0	113.2	T328 V329	T328-G336 CarbonylContact C-O 3.57Å; T328-G336 VanDerWaalsContact CA-O 3.32Å; T328-G336 WeakPolarHBondContact CA-O 3.33Å; T328-G336 WeakPolarHBondContact CB-O 3.31Å; V329-G336 PolarHBondContact N-O 2.82Å; V329-G336 PolarHBondContact O-N 3.12Å
337	G	95.3	Very high	94.5	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	20%	0.197	C	C	.	.			trans	-89.5	174.8	-176.9	0	0	0	0	0	113.5	Q339 M340	G337-Q339 PolarHBondContact O-N 3.29Å; G337-M340 PolarHBondContact O-N 2.97Å
338	M	95.5	Very high	94.7	Very high	67 Å²	67	37.4 Å²	37.4	33%	0.33	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-44.7	-32.5	176.1	52.3	172.8	54.3	0	0	114.2	M340 F341 V350 N351 F354	M338-M340 PolarHBondContact O-N 2.94Å; M338-M340 VanDerWaalsContact O-N 3.08Å; M338-F341 PolarHBondContact O-N 3.43Å; M338-V350 HydrophobicContact CB-CG1 3.85Å; M338-N351 WeakPolarHBondContact CE-OD1 3.42Å; M338-F354 HydrophobicContact CB-CD1 4.45Å; M338-F354 HydrophobicContact CB-CE1 4.35Å; M338-F354 HydrophobicContact CB-CZ 4.4Å
339	Q	93.5	Very high	94.8	Very high	82 Å²	82	37.6 Å²	37.6	38%	0.383	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-61.3	-18.1	-179.4	71.6	-82.7	11.5	0	0	114.8	I258 Q262 G337 F341	I258-Q339 HydrophobicContact CG2-CG 3.76Å; Q262-Q339 WeakPolarHBondContact CG-O 3.3Å; Q262-Q339 PolarHBondContact NE2-O 2.87Å; G337-Q339 PolarHBondContact O-N 3.29Å; Q339-F341 VanDerWaalsContact C-N 3.34Å
340	M	95.2	Very high	94.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-72.7	-30	172.3	-59.1	-166.3	-50.2	0	0	112.3	H253 I258 Y261 F331 G337 M338 K342	H253-M340 HydrophobicContact CB-SD 4.1Å; H253-M340 PolarHBondContact CD2-SD 2.84Å; I258-M340 HydrophobicContact CG1-CG 4.08Å; I258-M340 HydrophobicContact CG1-SD 4.33Å; I258-M340 HydrophobicContact CG2-CG 4.38Å; Y261-M340 HydrophobicContact CD2-SD 4.14Å; Y261-M340 HydrophobicContact CE2-SD 4.36Å; Y261-M340 HydrophobicContact CG-CB 4.28Å; F331-M340 HydrophobicContact CB-CE 4.04Å; G337-M340 PolarHBondContact O-N 2.97Å; M338-M340 PolarHBondContact O-N 2.94Å; M338-M340 VanDerWaalsContact O-N 3.08Å; M340-K342 VanDerWaalsContact C-N 3.33Å
341	F	96.3	Very high	95	Very high	16 Å²	16	39.7 Å²	39.7	7%	0.07	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-87.8	-2.5	-173.1	-59.7	-71.1	0	0	0	113.5	V329 F331 M338 Q339 A343 L344 V350 F354	V329-F341 HydrophobicContact CG1-CE2 4.13Å; V329-F341 HydrophobicContact CG1-CZ 4.37Å; F331-F341 HydrophobicContact CB-CZ 4.18Å; F331-F341 HydrophobicContact CD1-CE1 4.29Å; F331-F341 HydrophobicContact CD1-CZ 4.31Å; F331-F341 AromaticContact CD2-CE1 3.81Å; F331-F341 HydrophobicContact CD2-CE1 3.81Å; F331-F341 AromaticContact CD2-CZ 3.7Å; F331-F341 HydrophobicContact CD2-CZ 3.7Å; F331-F341 HydrophobicContact CE1-CE1 4.24Å; F331-F341 AromaticContact CE2-CE1 3.74Å; F331-F341 HydrophobicContact CE2-CE1 3.74Å; F331-F341 HydrophobicContact CE2-CZ 4.14Å; F331-F341 HydrophobicContact CG-CE1 4.09Å; F331-F341 AromaticContact CG-CZ 3.8Å; F331-F341 HydrophobicContact CG-CZ 3.8Å; F331-F341 AromaticContact CZ-CE1 3.97Å; F331-F341 HydrophobicContact CZ-CE1 3.97Å; M338-F341 PolarHBondContact O-N 3.43Å; Q339-F341 VanDerWaalsContact C-N 3.34Å; F341-A343 PolarHBondContact O-N 3.29Å; F341-A343 VanDerWaalsContact O-N 3.08Å; F341-L344 HydrophobicContact CB-CD1 4.04Å; F341-L344 HydrophobicContact CD1-CD1 4.3Å; F341-L344 VanDerWaalsContact O-CB 3.24Å; F341-L344 WeakPolarHBondContact O-CB 3.43Å; F341-L344 VanDerWaalsContact O-CG 3.31Å; F341-L344 WeakPolarHBondContact O-CG 3.29Å; F341-L344 PolarHBondContact O-N 3.31Å; F341-V350 HydrophobicContact CB-CB 4.5Å; F341-V350 HydrophobicContact CB-CG1 3.98Å; F341-V350 HydrophobicContact CB-CG2 3.65Å; F341-V350 HydrophobicContact CD2-CG1 4.23Å; F341-V350 HydrophobicContact CG-CG1 4.43Å; F341-V350 HydrophobicContact CG-CG2 4.46Å; F341-F354 HydrophobicContact CD2-CE2 4.05Å; F341-F354 HydrophobicContact CD2-CZ 4.25Å; F341-F354 AromaticContact CE2-CE2 3.98Å; F341-F354 HydrophobicContact CE2-CE2 3.98Å; F341-F354 AromaticContact CE2-CZ 3.98Å; F341-F354 HydrophobicContact CE2-CZ 3.98Å
342	K	94.2	Very high	95.1	Very high	134 Å²	134	43.1 Å²	43.1	58%	0.583	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-51.9	-34.7	-176.8	-171.5	172.9	-176.5	174.8	0	114.3	M340 L344 G345	M340-K342 VanDerWaalsContact C-N 3.33Å; K342-L344 PolarHBondContact O-N 2.98Å; K342-G345 PolarHBondContact O-N 3.32Å
343	A	95	Very high	95.4	Very high	18 Å²	18	39.5 Å²	39.5	15%	0.149	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-70.8	-9.9	178.9	0	0	0	0	0	114.1	K264 R266 L269 F341 G345	K264-A343 WeakPolarHBondContact O-CB 3.46Å; R266-A343 VanDerWaalsContact CA-O 3.3Å; R266-A343 WeakPolarHBondContact CA-O 3.36Å; R266-A343 WeakPolarHBondContact CB-O 3.35Å; L269-A343 HydrophobicContact CD2-CB 3.76Å; F341-A343 PolarHBondContact O-N 3.29Å; F341-A343 VanDerWaalsContact O-N 3.08Å; A343-G345 PolarHBondContact O-N 3.42Å
344	L	94.9	Very high	95.8	Very high	12 Å²	12	39 Å²	39	6%	0.063	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.3	-28.1	170.9	-67.7	177.2	0	0	0	112.4	L269 W270 F341 K342 S346 V350	L269-L344 HydrophobicContact CB-CD2 4.13Å; L269-L344 HydrophobicContact CD2-CD2 4.27Å; L269-L344 HydrophobicContact CD2-CG 4.01Å; L269-L344 HydrophobicContact CG-CD2 3.78Å; L269-L344 HydrophobicContact CG-CG 4.05Å; W270-L344 HydrophobicContact CB-CD2 4.3Å; W270-L344 HydrophobicContact CD2-CD2 4.04Å; W270-L344 HydrophobicContact CG-CD2 3.74Å; W270-L344 PolarHBondContact NE1-O 2.63Å; F341-L344 HydrophobicContact CB-CD1 4.04Å; F341-L344 HydrophobicContact CD1-CD1 4.3Å; F341-L344 VanDerWaalsContact O-CB 3.24Å; F341-L344 WeakPolarHBondContact O-CB 3.43Å; F341-L344 VanDerWaalsContact O-CG 3.31Å; F341-L344 WeakPolarHBondContact O-CG 3.29Å; F341-L344 PolarHBondContact O-N 3.31Å; K342-L344 PolarHBondContact O-N 2.98Å; L344-S346 VanDerWaalsContact C-N 3.32Å; L344-V350 HydrophobicContact CD1-CG2 4.09Å
345	G	93.5	Very high	95.9	Very high	56 Å²	56	39.6 Å²	39.6	58%	0.577	22%	0.217	S	C	*	.	S	Bend	trans	62.9	38.9	-171.5	0	0	0	0	0	112.3	K342 A343	K342-G345 PolarHBondContact O-N 3.32Å; A343-G345 PolarHBondContact O-N 3.42Å
346	S	94.7	Very high	96	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.063	22%	0.216	C	C	.	.			trans	-146.6	52.3	-178.2	-61.8	0	0	0	0	109.3	L344 D348 L349 V350	L344-S346 VanDerWaalsContact C-N 3.32Å; S346-D348 PolarHBondContact O-N 3.47Å; S346-L349 PolarHBondContact O-N 2.89Å; S346-L349 VanDerWaalsContact O-N 3.15Å; S346-V350 WeakPolarHBondContact O-CG2 3.36Å; S346-V350 PolarHBondContact O-N 2.93Å; S346-V350 VanDerWaalsContact O-N 3.13Å
347	D	95.5	Very high	96.1	Very high	81 Å²	81	39.2 Å²	39.2	43%	0.433	21%	0.214	S	C	.	.	H	α-helix	trans	-60.3	-30.6	-175.1	-63.4	-29.8	0	0	0	111.7	V350 N351	D347-V350 PolarHBondContact O-N 3.48Å; D347-N351 VanDerWaalsContact O-CB 3.3Å; D347-N351 WeakPolarHBondContact O-CB 3.4Å; D347-N351 PolarHBondContact O-N 3.34Å; D347-N351 PolarHBondContact O-ND2 2.86Å; D347-N351 VanDerWaalsContact O-ND2 3.09Å
348	D	97.4	Very high	96.1	Very high	67 Å²	67	43.7 Å²	43.7	36%	0.358	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-48.9	173	57.4	-19.3	0	0	0	112.6	S346 V350 N351 E352 K437	S346-D348 PolarHBondContact O-N 3.47Å; D348-V350 VanDerWaalsContact C-N 3.32Å; D348-V350 PolarHBondContact O-N 3.07Å; D348-N351 PolarHBondContact O-N 3.33Å; D348-E352 WeakPolarHBondContact O-CB 3.5Å; D348-E352 WeakPolarHBondContact O-CG 3.43Å; D348-E352 PolarHBondContact O-N 3.05Å; D348-K437 VanDerWaalsContact CG-CE 3.49Å; D348-K437 VanDerWaalsContact CG-NZ 3.29Å; D348-K437 WeakPolarHBondContact OD1-CE 3.06Å; D348-K437 IonicContact OD1-NZ 2.67Å; D348-K437 PolarHBondContact OD1-NZ 3.3Å; D348-K437 VanDerWaalsContact OD1-NZ 3.17Å; D348-K437 WeakPolarHBondContact OD2-CE 3.38Å; D348-K437 IonicContact OD2-NZ 2.69Å; D348-K437 PolarHBondContact OD2-NZ 3.01Å
349	L	97.6	Very high	96.1	Very high	18 Å²	18	44.1 Å²	44.1	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-40.2	174.8	175.4	61.8	0	0	0	112.3	S346 A353 V430 L433 H434 K437	S346-L349 PolarHBondContact O-N 2.89Å; S346-L349 VanDerWaalsContact O-N 3.15Å; L349-A353 WeakPolarHBondContact O-CB 3.37Å; L349-A353 PolarHBondContact O-N 2.91Å; L349-A353 VanDerWaalsContact O-N 3.1Å; L349-V430 HydrophobicContact CD1-CG1 4.2Å; L349-L433 HydrophobicContact CB-CD2 4.16Å; L349-L433 HydrophobicContact CB-CG 4.23Å; L349-L433 HydrophobicContact CD1-CB 4.27Å; L349-L433 HydrophobicContact CD1-CD2 4.22Å; L349-L433 HydrophobicContact CD1-CG 4.09Å; L349-H434 HydrophobicContact CD1-CB 3.96Å; L349-H434 HydrophobicContact CD2-CB 4.17Å; L349-K437 HydrophobicContact CB-CG 4.25Å; L349-K437 HydrophobicContact CD2-CB 4.23Å; L349-K437 HydrophobicContact CD2-CG 4.15Å
350	V	97.3	Very high	96.1	Very high	12 Å²	12	40.2 Å²	40.2	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-45	178.3	176	0	0	0	0	110.6	M338 F341 L344 S346 D347 D348 A353 F354	M338-V350 HydrophobicContact CB-CG1 3.85Å; F341-V350 HydrophobicContact CB-CB 4.5Å; F341-V350 HydrophobicContact CB-CG1 3.98Å; F341-V350 HydrophobicContact CB-CG2 3.65Å; F341-V350 HydrophobicContact CD2-CG1 4.23Å; F341-V350 HydrophobicContact CG-CG1 4.43Å; F341-V350 HydrophobicContact CG-CG2 4.46Å; L344-V350 HydrophobicContact CD1-CG2 4.09Å; S346-V350 WeakPolarHBondContact O-CG2 3.36Å; S346-V350 PolarHBondContact O-N 2.93Å; S346-V350 VanDerWaalsContact O-N 3.13Å; D347-V350 PolarHBondContact O-N 3.48Å; D348-V350 VanDerWaalsContact C-N 3.32Å; D348-V350 PolarHBondContact O-N 3.07Å; V350-A353 PolarHBondContact O-N 3.47Å; V350-F354 HydrophobicContact CG1-CD2 3.97Å; V350-F354 HydrophobicContact CG1-CE2 4.01Å; V350-F354 WeakPolarHBondContact O-CB 3.4Å; V350-F354 VanDerWaalsContact O-CD2 3.25Å; V350-F354 WeakPolarHBondContact O-CD2 3.32Å; V350-F354 PolarHBondContact O-N 3.13Å
351	N	97.3	Very high	96.1	Very high	62 Å²	62	41.5 Å²	41.5	33%	0.332	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-51	179	-69.7	-23.3	0	0	0	111.1	M338 D347 D348 A353 F354 D355	M338-N351 WeakPolarHBondContact CE-OD1 3.42Å; D347-N351 VanDerWaalsContact O-CB 3.3Å; D347-N351 WeakPolarHBondContact O-CB 3.4Å; D347-N351 PolarHBondContact O-N 3.34Å; D347-N351 PolarHBondContact O-ND2 2.86Å; D347-N351 VanDerWaalsContact O-ND2 3.09Å; D348-N351 PolarHBondContact O-N 3.33Å; N351-A353 VanDerWaalsContact C-N 3.3Å; N351-A353 PolarHBondContact O-N 2.97Å; N351-F354 PolarHBondContact O-N 3.37Å; N351-F354 VanDerWaalsContact O-N 3.12Å; N351-D355 WeakPolarHBondContact O-CB 3.31Å; N351-D355 PolarHBondContact O-N 3.42Å
352	E	97.9	Very high	96	Very high	94 Å²	94	44.6 Å²	44.6	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-58.5	-39.2	178.3	-71.6	-66.4	155.1	0	0	112.3	D348 F356 V430 L433	D348-E352 WeakPolarHBondContact O-CB 3.5Å; D348-E352 WeakPolarHBondContact O-CG 3.43Å; D348-E352 PolarHBondContact O-N 3.05Å; E352-F356 WeakPolarHBondContact O-CB 3.25Å; E352-F356 PolarHBondContact O-N 3.12Å; E352-V430 HydrophobicContact CB-CG2 4.11Å; E352-L433 HydrophobicContact CB-CD2 4.42Å; E352-L433 HydrophobicContact CG-CD2 4.15Å
353	A	97.4	Very high	95.9	Very high	15 Å²	15	39.6 Å²	39.6	12%	0.124	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-40.1	175.5	0	0	0	0	0	113.1	L315 L349 V350 N351 A357 V430	L315-A353 HydrophobicContact CD2-CB 4.44Å; L349-A353 WeakPolarHBondContact O-CB 3.37Å; L349-A353 PolarHBondContact O-N 2.91Å; L349-A353 VanDerWaalsContact O-N 3.1Å; V350-A353 PolarHBondContact O-N 3.47Å; N351-A353 VanDerWaalsContact C-N 3.3Å; N351-A353 PolarHBondContact O-N 2.97Å; A353-A357 WeakPolarHBondContact O-CB 3.47Å; A353-A357 PolarHBondContact O-N 3.28Å; A353-V430 HydrophobicContact CB-CG1 4.3Å
354	F	97.7	Very high	95.7	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.022	26%	0.26	C	S	.	.	H	α-helix	trans	-69	-44.4	176.5	-91.2	-114.8	0	0	0	111.9	M318 F322 V329 M338 F341 V350 N351 A357 K358	M318-F354 HydrophobicContact CE-CD2 4.09Å; M318-F354 HydrophobicContact CE-CE2 4.31Å; F322-F354 AromaticContact CE2-CD1 3.72Å; F322-F354 HydrophobicContact CE2-CD1 3.72Å; F322-F354 HydrophobicContact CE2-CE1 4.2Å; F322-F354 HydrophobicContact CE2-CG 4.31Å; V329-F354 HydrophobicContact CB-CZ 4.22Å; V329-F354 HydrophobicContact CG1-CE1 4.45Å; V329-F354 HydrophobicContact CG1-CE2 4.06Å; V329-F354 HydrophobicContact CG1-CZ 3.64Å; M338-F354 HydrophobicContact CB-CD1 4.45Å; M338-F354 HydrophobicContact CB-CE1 4.35Å; M338-F354 HydrophobicContact CB-CZ 4.4Å; F341-F354 HydrophobicContact CD2-CE2 4.05Å; F341-F354 HydrophobicContact CD2-CZ 4.25Å; F341-F354 AromaticContact CE2-CE2 3.98Å; F341-F354 HydrophobicContact CE2-CE2 3.98Å; F341-F354 AromaticContact CE2-CZ 3.98Å; F341-F354 HydrophobicContact CE2-CZ 3.98Å; V350-F354 HydrophobicContact CG1-CD2 3.97Å; V350-F354 HydrophobicContact CG1-CE2 4.01Å; V350-F354 WeakPolarHBondContact O-CB 3.4Å; V350-F354 VanDerWaalsContact O-CD2 3.25Å; V350-F354 WeakPolarHBondContact O-CD2 3.32Å; V350-F354 PolarHBondContact O-N 3.13Å; N351-F354 PolarHBondContact O-N 3.37Å; N351-F354 VanDerWaalsContact O-N 3.12Å; F354-A357 PolarHBondContact O-N 2.83Å; F354-K358 WeakPolarHBondContact O-CB 3.21Å; F354-K358 PolarHBondContact O-N 3.1Å
355	D	96.9	Very high	95.6	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-67.6	-37.8	177.4	-78.7	-31.2	0	0	0	111	N351 N359	N351-D355 WeakPolarHBondContact O-CB 3.31Å; N351-D355 PolarHBondContact O-N 3.42Å; D355-N359 WeakPolarHBondContact O-CB 3.21Å; D355-N359 PolarHBondContact O-N 3.48Å; D355-N359 PolarHBondContact O-ND2 2.98Å
356	F	97.3	Very high	95.7	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-57.5	-52.5	169.3	173.6	-97.3	0	0	0	111.7	L315 E352 K358 N359 L360 K423 T426 I427	L315-F356 HydrophobicContact CB-CD1 4.31Å; L315-F356 HydrophobicContact CB-CE1 4.08Å; L315-F356 WeakPolarHBondContact O-CE1 3.47Å; E352-F356 WeakPolarHBondContact O-CB 3.25Å; E352-F356 PolarHBondContact O-N 3.12Å; F356-K358 PolarHBondContact O-N 3Å; F356-N359 PolarHBondContact O-N 3.27Å; F356-L360 HydrophobicContact CE1-CD2 4Å; F356-L360 HydrophobicContact CZ-CB 4.43Å; F356-L360 HydrophobicContact CZ-CD2 3.85Å; F356-L360 PolarHBondContact O-N 3.24Å; F356-K423 HydrophobicContact CE2-CB 4.22Å; F356-T426 HydrophobicContact CD2-CG2 3.97Å; F356-I427 HydrophobicContact CD2-CG1 4.24Å; F356-I427 HydrophobicContact CE1-CG1 4.25Å; F356-I427 HydrophobicContact CE2-CD1 4.04Å; F356-I427 HydrophobicContact CE2-CG1 3.31Å; F356-I427 HydrophobicContact CZ-CD1 3.79Å; F356-I427 HydrophobicContact CZ-CG1 3.32Å
357	A	96.8	Very high	95.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-45.5	-179	0	0	0	0	0	111.6	M318 F322 A353 F354 N359 L360 C361	M318-A357 HydrophobicContact CE-CB 3.96Å; M318-A357 HydrophobicContact CG-CB 4.14Å; M318-A357 HydrophobicContact SD-CB 4.19Å; F322-A357 HydrophobicContact CB-CB 4.16Å; F322-A357 HydrophobicContact CD1-CB 4.41Å; F322-A357 HydrophobicContact CD2-CB 3.83Å; F322-A357 HydrophobicContact CE2-CB 4.3Å; F322-A357 HydrophobicContact CG-CB 3.89Å; A353-A357 WeakPolarHBondContact O-CB 3.47Å; A353-A357 PolarHBondContact O-N 3.28Å; F354-A357 PolarHBondContact O-N 2.83Å; A357-N359 PolarHBondContact O-N 3Å; A357-L360 PolarHBondContact O-N 3.23Å; A357-L360 VanDerWaalsContact O-N 3.17Å; A357-C361 PolarHBondContact O-N 3.12Å; A357-C361 PolarHBondContact O-SG 3.44Å
358	K	95.5	Very high	95.7	Very high	96 Å²	96	46.8 Å²	46.8	42%	0.417	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-43.8	175.5	-174.6	179.9	179.8	-179.1	0	112.7	F322 F354 F356 L360 C361 S362	F322-K358 HydrophobicContact CE1-CB 3.67Å; F322-K358 HydrophobicContact CE1-CG 4.17Å; F322-K358 HydrophobicContact CZ-CB 3.84Å; F322-K358 HydrophobicContact CZ-CG 4.49Å; F354-K358 WeakPolarHBondContact O-CB 3.21Å; F354-K358 PolarHBondContact O-N 3.1Å; F356-K358 PolarHBondContact O-N 3Å; K358-L360 VanDerWaalsContact C-N 3.3Å; K358-L360 PolarHBondContact O-N 3.39Å; K358-C361 PolarHBondContact O-N 3.08Å; K358-S362 PolarHBondContact O-N 2.92Å; K358-S362 VanDerWaalsContact O-N 3.14Å
359	N	95.6	Very high	95.7	Very high	76 Å²	76	43.6 Å²	43.6	41%	0.406	23%	0.229	S	C	.	.	H	α-helix	trans	-67.3	-27.3	176	-84.4	-65.1	0	0	0	113.3	D355 F356 A357 S362	D355-N359 WeakPolarHBondContact O-CB 3.21Å; D355-N359 PolarHBondContact O-N 3.48Å; D355-N359 PolarHBondContact O-ND2 2.98Å; F356-N359 PolarHBondContact O-N 3.27Å; A357-N359 PolarHBondContact O-N 3Å; N359-S362 PolarHBondContact O-OG 2.98Å
360	L	95.2	Very high	95.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-80.5	-40.1	175.2	-166.8	62.7	0	0	0	111	V316 C319 F356 A357 K358 S362 L363 L365 L420	V316-L360 HydrophobicContact CG1-CD2 4.32Å; C319-L360 HydrophobicContact CB-CB 4.1Å; C319-L360 HydrophobicContact CB-CD2 3.9Å; C319-L360 HydrophobicContact CB-CG 4.09Å; F356-L360 HydrophobicContact CE1-CD2 4Å; F356-L360 HydrophobicContact CZ-CB 4.43Å; F356-L360 HydrophobicContact CZ-CD2 3.85Å; F356-L360 PolarHBondContact O-N 3.24Å; A357-L360 PolarHBondContact O-N 3.23Å; A357-L360 VanDerWaalsContact O-N 3.17Å; K358-L360 VanDerWaalsContact C-N 3.3Å; K358-L360 PolarHBondContact O-N 3.39Å; L360-S362 PolarHBondContact O-N 3.39Å; L360-L363 HydrophobicContact CD1-CD1 4.29Å; L360-L363 WeakPolarHBondContact O-CB 3.38Å; L360-L363 PolarHBondContact O-N 3.34Å; L360-L363 VanDerWaalsContact O-N 3.17Å; L360-L365 HydrophobicContact CD1-CD1 3.76Å; L360-L365 HydrophobicContact CG-CD1 4.04Å; L360-L420 HydrophobicContact CD1-CD2 3.92Å
361	C	94.5	Very high	95.7	Very high	27 Å²	27	42.6 Å²	42.6	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-31.4	173	-67.8	0	0	0	0	113.2	C319 P324 A357 K358 L363 Q364	C319-C361 PolarHBondContact O-SG 3.05Å; P324-C361 HydrophobicContact CG-CB 4.43Å; A357-C361 PolarHBondContact O-N 3.12Å; A357-C361 PolarHBondContact O-SG 3.44Å; K358-C361 PolarHBondContact O-N 3.08Å; C361-L363 PolarHBondContact O-N 3.05Å; C361-Q364 PolarHBondContact O-N 2.9Å
362	S	93	Very high	95.8	Very high	80 Å²	80	39.6 Å²	39.6	56%	0.559	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.7	178.7	71.4	0	0	0	0	113.9	K358 N359 L360 Q364	K358-S362 PolarHBondContact O-N 2.92Å; K358-S362 VanDerWaalsContact O-N 3.14Å; N359-S362 PolarHBondContact O-OG 2.98Å; L360-S362 PolarHBondContact O-N 3.39Å; S362-Q364 VanDerWaalsContact C-N 3.28Å
363	L	92.1	Very high	95.8	Very high	30 Å²	30	35.1 Å²	35.1	16%	0.157	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.7	172.5	-56.3	-176.1	0	0	0	113.4	L360 C361 L365 K419 L420	L360-L363 HydrophobicContact CD1-CD1 4.29Å; L360-L363 WeakPolarHBondContact O-CB 3.38Å; L360-L363 PolarHBondContact O-N 3.34Å; L360-L363 VanDerWaalsContact O-N 3.17Å; C361-L363 PolarHBondContact O-N 3.05Å; L363-L365 HydrophobicContact CB-CD2 3.76Å; L363-L365 HydrophobicContact CB-CG 3.99Å; L363-L365 PolarHBondContact O-N 3.3Å; L363-L365 VanDerWaalsContact O-N 3.16Å; L363-K419 HydrophobicContact CD1-CB 4.25Å; L363-K419 HydrophobicContact CD2-CB 4.09Å; L363-K419 HydrophobicContact CD2-CD 3.96Å; L363-L420 HydrophobicContact CD1-CD2 3.86Å; L363-L420 HydrophobicContact CD1-CG 4.16Å
364	Q	91.2	Very high	95.8	Very high	163 Å²	163	34.4 Å²	34.4	76%	0.762	18%	0.181	S	C	*	.			trans	51.2	39.2	175.2	-56.2	-172.5	8.2	0	0	114.5	C361 S362	C361-Q364 PolarHBondContact O-N 2.9Å; S362-Q364 VanDerWaalsContact C-N 3.28Å
365	L	93.4	Very high	95.9	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.131	18%	0.18	C	C	.	.			trans	-63.1	141.8	-174	-53.3	174.8	0	0	0	112.6	L360 L363 E369 I370 T416 L420	L360-L365 HydrophobicContact CD1-CD1 3.76Å; L360-L365 HydrophobicContact CG-CD1 4.04Å; L363-L365 HydrophobicContact CB-CD2 3.76Å; L363-L365 HydrophobicContact CB-CG 3.99Å; L363-L365 PolarHBondContact O-N 3.3Å; L363-L365 VanDerWaalsContact O-N 3.16Å; L365-E369 VanDerWaalsContact CA-OE2 3.3Å; L365-E369 WeakPolarHBondContact CA-OE2 3.37Å; L365-E369 HydrophobicContact CB-CB 4.28Å; L365-I370 HydrophobicContact CB-CD1 4.17Å; L365-I370 HydrophobicContact CB-CG1 3.74Å; L365-I370 HydrophobicContact CD1-CG1 4.12Å; L365-T416 HydrophobicContact CD2-CG2 4.33Å; L365-L420 HydrophobicContact CD1-CD2 3.64Å; L365-L420 HydrophobicContact CD2-CD1 4.01Å; L365-L420 HydrophobicContact CD2-CD2 3.94Å; L365-L420 HydrophobicContact CD2-CG 4.25Å; L365-L420 HydrophobicContact CG-CD2 4.41Å
366	T	94.6	Very high	95.9	Very high	49 Å²	49	30.9 Å²	30.9	30%	0.301	16%	0.162	S	C	.	.			trans	-76.3	159.7	170.3	68.9	0	0	0	0	111.7	E368 E369 I370 N410	T366-E368 PolarHBondContact O-N 2.77Å; T366-E368 VanDerWaalsContact O-N 3.16Å; T366-E368 PolarHBondContact OG1-N 2.85Å; T366-E369 WeakPolarHBondContact CG2-OE1 3.34Å; T366-E369 PolarHBondContact N-OE2 3.48Å; T366-E369 PolarHBondContact O-N 3.17Å; T366-E369 VanDerWaalsContact O-N 3.1Å; T366-E369 PolarHBondContact OG1-N 3.42Å; T366-E369 PolarHBondContact OG1-OE1 3.42Å; T366-I370 WeakPolarHBondContact O-CG1 3.47Å; T366-I370 PolarHBondContact O-N 3.35Å; T366-N410 PolarHBondContact OG1-ND2 3.4Å
367	E	94.6	Very high	95.9	Very high	37 Å²	37	30.9 Å²	30.9	17%	0.173	16%	0.162	C	C	.	.	H	α-helix	trans	-56.6	-28.7	171	-71.8	-76.7	81.6	0	0	112.2	L235 M242 R320 A371	L235-E367 HydrophobicContact CD2-CB 4.35Å; M242-E367 HydrophobicContact CG-CG 3.89Å; M242-E367 HydrophobicContact SD-CG 4.35Å; R320-E367 WeakPolarHBondContact CD-OE1 3.49Å; R320-E367 IonicContact CZ-OE1 2.68Å; R320-E367 IonicContact CZ-OE2 2.65Å; R320-E367 VanDerWaalsContact CZ-OE2 3.28Å; R320-E367 VanDerWaalsContact NE-CD 3.29Å; R320-E367 IonicContact NE-OE1 2.66Å; R320-E367 PolarHBondContact NE-OE1 3.49Å; R320-E367 IonicContact NE-OE2 3.21Å; R320-E367 PolarHBondContact NE-OE2 2.96Å; R320-E367 IonicContact NH2-OE1 3.41Å; R320-E367 IonicContact NH2-OE2 3.61Å; R320-E367 PolarHBondContact NH2-OE2 3.17Å; E367-A371 VanDerWaalsContact O-CB 3.24Å; E367-A371 WeakPolarHBondContact O-CB 3.41Å; E367-A371 PolarHBondContact O-N 3.2Å
368	E	96.7	Very high	96	Very high	52 Å²	52	30.9 Å²	30.9	24%	0.243	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-44.7	176.4	-55.2	-168.6	166.7	0	0	111.4	I231 T366 L372 V406 K409	I231-E368 HydrophobicContact CD1-CB 3.77Å; I231-E368 HydrophobicContact CD1-CG 3.85Å; I231-E368 HydrophobicContact CG1-CB 4.02Å; I231-E368 HydrophobicContact CG1-CG 4.27Å; I231-E368 HydrophobicContact CG2-CG 4.06Å; T366-E368 PolarHBondContact O-N 2.77Å; T366-E368 VanDerWaalsContact O-N 3.16Å; T366-E368 PolarHBondContact OG1-N 2.85Å; E368-L372 PolarHBondContact O-N 3.32Å; E368-L372 VanDerWaalsContact O-N 3.13Å; E368-V406 HydrophobicContact CB-CG1 3.73Å; E368-K409 IonicContact OE2-NZ 3.45Å; E368-K409 PolarHBondContact OE2-NZ 3.07Å
369	E	96.6	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.2	-44.1	176.7	-72.9	139.8	-135.5	0	0	112.3	L365 T366 A371 L372 F373 V406 I407 N410 H411	L365-E369 VanDerWaalsContact CA-OE2 3.3Å; L365-E369 WeakPolarHBondContact CA-OE2 3.37Å; L365-E369 HydrophobicContact CB-CB 4.28Å; T366-E369 WeakPolarHBondContact CG2-OE1 3.34Å; T366-E369 PolarHBondContact N-OE2 3.48Å; T366-E369 PolarHBondContact O-N 3.17Å; T366-E369 VanDerWaalsContact O-N 3.1Å; T366-E369 PolarHBondContact OG1-N 3.42Å; T366-E369 PolarHBondContact OG1-OE1 3.42Å; E369-A371 VanDerWaalsContact C-N 3.28Å; E369-A371 PolarHBondContact O-N 2.89Å; E369-L372 PolarHBondContact O-N 3.07Å; E369-F373 VanDerWaalsContact O-CB 3.27Å; E369-F373 WeakPolarHBondContact O-CB 3.09Å; E369-F373 PolarHBondContact O-N 2.82Å; E369-V406 HydrophobicContact CG-CG1 4.15Å; E369-I407 HydrophobicContact CG-CG1 3.81Å; E369-N410 WeakPolarHBondContact OE1-CB 3.48Å; E369-N410 PolarHBondContact OE1-ND2 2.99Å; E369-H411 VanDerWaalsContact CD-NE2 3.26Å; E369-H411 IonicContact OE1-CD2 2.75Å; E369-H411 IonicContact OE1-NE2 3.48Å; E369-H411 PolarHBondContact OE1-NE2 2.9Å; E369-H411 IonicContact OE2-CD2 3.46Å; E369-H411 IonicContact OE2-CE1 2.87Å; E369-H411 IonicContact OE2-NE2 3.68Å; E369-H411 PolarHBondContact OE2-NE2 2.94Å
370	I	97.4	Very high	96.1	Very high	9 Å²	9	23.4 Å²	23.4	5%	0.046	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-40	177.5	-63.5	167.1	0	0	0	110.1	H234 V316 R320 L365 T366 S374	H234-I370 WeakPolarHBondContact NE2-CG2 3.37Å; V316-I370 HydrophobicContact CG1-CG2 4.34Å; R320-I370 HydrophobicContact CG-CD1 3.96Å; R320-I370 HydrophobicContact CG-CG2 4.34Å; L365-I370 HydrophobicContact CB-CD1 4.17Å; L365-I370 HydrophobicContact CB-CG1 3.74Å; L365-I370 HydrophobicContact CD1-CG1 4.12Å; T366-I370 WeakPolarHBondContact O-CG1 3.47Å; T366-I370 PolarHBondContact O-N 3.35Å; I370-S374 WeakPolarHBondContact O-CB 3.11Å; I370-S374 PolarHBondContact O-N 2.92Å; I370-S374 PolarHBondContact O-OG 3.25Å
371	A	98.3	Very high	96.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.4	-49.5	175.4	0	0	0	0	0	112.4	I230 I231 H234 E367 E369 S375	I230-A371 HydrophobicContact CG2-CB 4.17Å; I230-A371 WeakPolarHBondContact CG2-O 3.43Å; I231-A371 HydrophobicContact CG1-CB 4.45Å; H234-A371 HydrophobicContact CB-CB 3.34Å; H234-A371 VanDerWaalsContact CE1-CA 3.47Å; H234-A371 WeakPolarHBondContact CE1-CA 3.29Å; E367-A371 VanDerWaalsContact O-CB 3.24Å; E367-A371 WeakPolarHBondContact O-CB 3.41Å; E367-A371 PolarHBondContact O-N 3.2Å; E369-A371 VanDerWaalsContact C-N 3.28Å; E369-A371 PolarHBondContact O-N 2.89Å; A371-S375 PolarHBondContact O-N 3.13Å
372	L	98.3	Very high	96	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-41.5	-177.8	-78.8	163	0	0	0	112.4	A227 I230 E368 E369 S375 A376 I399 A402 L403 V406	A227-L372 HydrophobicContact CB-CD1 4.38Å; I230-L372 HydrophobicContact CB-CD2 4.19Å; I230-L372 HydrophobicContact CD1-CD2 3.83Å; I230-L372 HydrophobicContact CG2-CD2 4.07Å; I230-L372 HydrophobicContact CG2-CG 4.31Å; E368-L372 PolarHBondContact O-N 3.32Å; E368-L372 VanDerWaalsContact O-N 3.13Å; E369-L372 PolarHBondContact O-N 3.07Å; L372-S375 WeakPolarHBondContact O-CB 3.26Å; L372-S375 PolarHBondContact O-N 2.87Å; L372-A376 PolarHBondContact O-N 3.41Å; L372-I399 HydrophobicContact CD2-CG2 4.32Å; L372-I399 WeakPolarHBondContact O-CG2 3.49Å; L372-A402 HydrophobicContact CD1-CB 4.47Å; L372-A402 HydrophobicContact CD2-CB 3.69Å; L372-L403 HydrophobicContact CB-CB 4.04Å; L372-L403 HydrophobicContact CB-CD1 3.65Å; L372-L403 HydrophobicContact CB-CG 4.39Å; L372-V406 HydrophobicContact CD1-CB 3.97Å; L372-V406 HydrophobicContact CD1-CG1 4.41Å; L372-V406 HydrophobicContact CD1-CG2 3.62Å
373	F	98.3	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-42	174.6	-173.6	-120	0	0	0	111.8	V316 E369 S375 A376 V377 L403 L420 I424 I427	V316-F373 HydrophobicContact CG1-CD1 3.84Å; V316-F373 HydrophobicContact CG1-CE1 4.39Å; V316-F373 HydrophobicContact CG2-CD1 4.02Å; V316-F373 HydrophobicContact CG2-CE1 3.8Å; E369-F373 VanDerWaalsContact O-CB 3.27Å; E369-F373 WeakPolarHBondContact O-CB 3.09Å; E369-F373 PolarHBondContact O-N 2.82Å; F373-S375 VanDerWaalsContact C-N 3.25Å; F373-S375 PolarHBondContact O-N 3Å; F373-A376 PolarHBondContact O-N 3.21Å; F373-A376 VanDerWaalsContact O-N 3.16Å; F373-V377 HydrophobicContact CD1-CG2 4.44Å; F373-V377 HydrophobicContact CD2-CG2 4.23Å; F373-V377 HydrophobicContact CE1-CG2 4.14Å; F373-V377 HydrophobicContact CE2-CG2 3.91Å; F373-V377 HydrophobicContact CG-CG2 4.48Å; F373-V377 HydrophobicContact CZ-CG2 3.86Å; F373-V377 WeakPolarHBondContact O-CG2 3.38Å; F373-V377 PolarHBondContact O-N 3.07Å; F373-L403 HydrophobicContact CB-CD1 4.46Å; F373-L403 HydrophobicContact CB-CD2 4.33Å; F373-L403 HydrophobicContact CD2-CD2 4.21Å; F373-L420 HydrophobicContact CD1-CD2 4.11Å; F373-L420 HydrophobicContact CD2-CB 4.24Å; F373-L420 HydrophobicContact CD2-CD2 4.48Å; F373-L420 HydrophobicContact CE1-CD2 4.17Å; F373-L420 HydrophobicContact CE2-CB 4.04Å; F373-L420 HydrophobicContact CG-CD2 4.28Å; F373-L420 HydrophobicContact CZ-CB 4.43Å; F373-L420 HydrophobicContact CZ-CD2 4.39Å; F373-L420 WeakPolarHBondContact CZ-O 3.38Å; F373-I424 HydrophobicContact CE2-CD1 4.26Å; F373-I424 HydrophobicContact CE2-CG1 4.06Å; F373-I424 HydrophobicContact CZ-CG1 4.04Å; F373-I427 HydrophobicContact CE1-CD1 3.93Å; F373-I427 HydrophobicContact CZ-CD1 3.99Å
374	S	98.4	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55.3	-41.8	171.3	-64.9	0	0	0	0	111.9	V313 I370 L378	V313-S374 WeakPolarHBondContact CG2-O 3.39Å; I370-S374 WeakPolarHBondContact O-CB 3.11Å; I370-S374 PolarHBondContact O-N 2.92Å; I370-S374 PolarHBondContact O-OG 3.25Å; S374-L378 WeakPolarHBondContact O-CB 3.45Å; S374-L378 PolarHBondContact O-N 3.4Å; S374-L378 VanDerWaalsContact O-N 3.16Å
375	S	98.5	Very high	95.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.3	-39.6	178.1	-172.9	0	0	0	0	112.4	I291 A371 L372 F373 I379 I399	I291-S375 WeakPolarHBondContact CD1-OG 3.32Å; A371-S375 PolarHBondContact O-N 3.13Å; L372-S375 WeakPolarHBondContact O-CB 3.26Å; L372-S375 PolarHBondContact O-N 2.87Å; F373-S375 VanDerWaalsContact C-N 3.25Å; F373-S375 PolarHBondContact O-N 3Å; S375-I379 WeakPolarHBondContact O-CB 3.47Å; S375-I379 PolarHBondContact O-N 3.32Å; S375-I379 VanDerWaalsContact O-N 3.11Å; S375-I399 WeakPolarHBondContact OG-CD1 3.22Å
376	A	97.9	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69	-40.4	180	0	0	0	0	0	112.6	L372 F373 Q396 I399 Y400	L372-A376 PolarHBondContact O-N 3.41Å; F373-A376 PolarHBondContact O-N 3.21Å; F373-A376 VanDerWaalsContact O-N 3.16Å; A376-Q396 PolarHBondContact O-NE2 3.36Å; A376-I399 HydrophobicContact CB-CG2 3.95Å; A376-Y400 HydrophobicContact CB-CD1 4.37Å; A376-Y400 HydrophobicContact CB-CE1 3.96Å; A376-Y400 HydrophobicContact CB-CE2 4.28Å
377	V	97.6	Very high	96	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.024	17%	0.168	C	C	.	.	H	α-helix	trans	-66.6	-42.9	176.4	170.3	0	0	0	0	111.2	E312 F373 R383 I424 I427	E312-V377 HydrophobicContact CB-CG1 3.58Å; E312-V377 VanDerWaalsContact OE2-CG1 3.23Å; E312-V377 WeakPolarHBondContact OE2-CG1 3.39Å; F373-V377 HydrophobicContact CD1-CG2 4.44Å; F373-V377 HydrophobicContact CD2-CG2 4.23Å; F373-V377 HydrophobicContact CE1-CG2 4.14Å; F373-V377 HydrophobicContact CE2-CG2 3.91Å; F373-V377 HydrophobicContact CG-CG2 4.48Å; F373-V377 HydrophobicContact CZ-CG2 3.86Å; F373-V377 WeakPolarHBondContact O-CG2 3.38Å; F373-V377 PolarHBondContact O-N 3.07Å; V377-R383 PolarHBondContact O-NH2 3.15Å; V377-I424 HydrophobicContact CG2-CG1 4.33Å; V377-I427 HydrophobicContact CG2-CD1 4.47Å
378	L	98.3	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-46.9	177.4	-177.6	61.3	0	0	0	112.5	A288 I291 L306 V313 S374 S380	A288-L378 HydrophobicContact CB-CD2 3.66Å; I291-L378 HydrophobicContact CD1-CD2 4.26Å; L306-L378 HydrophobicContact CD2-CD1 4.39Å; V313-L378 HydrophobicContact CG2-CB 3.81Å; V313-L378 HydrophobicContact CG2-CD1 4.31Å; S374-L378 WeakPolarHBondContact O-CB 3.45Å; S374-L378 PolarHBondContact O-N 3.4Å; S374-L378 VanDerWaalsContact O-N 3.16Å; L378-S380 PolarHBondContact O-N 3.32Å
379	I	97.8	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-95.1	66.7	-173.1	-57	171.8	0	0	0	108.7	I291 F294 S375 V392 L395 Q396 I399	I291-I379 HydrophobicContact CD1-CD1 3.97Å; I291-I379 HydrophobicContact CG2-CD1 3.86Å; F294-I379 HydrophobicContact CD2-CD1 4.19Å; F294-I379 HydrophobicContact CD2-CG1 4.25Å; S375-I379 WeakPolarHBondContact O-CB 3.47Å; S375-I379 PolarHBondContact O-N 3.32Å; S375-I379 VanDerWaalsContact O-N 3.11Å; I379-V392 HydrophobicContact CG2-CG1 3.84Å; I379-L395 HydrophobicContact CD1-CD2 3.98Å; I379-L395 HydrophobicContact CD1-CG 4.3Å; I379-L395 HydrophobicContact CG2-CB 4.24Å; I379-L395 HydrophobicContact CG2-CD2 3.98Å; I379-L395 HydrophobicContact CG2-CG 4.02Å; I379-Q396 VanDerWaalsContact O-CB 3.22Å; I379-Q396 WeakPolarHBondContact O-CB 3.36Å; I379-Q396 WeakPolarHBondContact O-CG 3.4Å; I379-Q396 PolarHBondContact O-NE2 2.9Å; I379-I399 HydrophobicContact CB-CD1 4.3Å; I379-I399 HydrophobicContact CD1-CD1 3.64Å; I379-I399 HydrophobicContact CG1-CD1 4.49Å
380	S	95.8	Very high	96	Very high	14 Å²	14	45 Å²	45	10%	0.098	22%	0.217	C	C	.	.			trans	-96	134.6	176.5	157.5	0	0	0	0	111.6	L305 L378 D382 R383 V392	L305-S380 VanDerWaalsContact CD2-O 3.28Å; L305-S380 WeakPolarHBondContact CD2-O 3.3Å; L378-S380 PolarHBondContact O-N 3.32Å; S380-D382 VanDerWaalsContact C-N 3.27Å; S380-D382 PolarHBondContact O-N 3.44Å; S380-D382 PolarHBondContact OG-N 3.41Å; S380-D382 PolarHBondContact OG-OD2 3.35Å; S380-R383 WeakPolarHBondContact O-CG 3.45Å; S380-V392 WeakPolarHBondContact O-CG1 3.39Å
381	P	95.6	Very high	95.9	Very high	24 Å²	24	48.1 Å²	48.1	16%	0.156	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.2	176	33.3	-36.7	0	0	0	113.5	R383 L386 V392 Q393	P381-R383 VanDerWaalsContact C-N 3.25Å; P381-R383 PolarHBondContact O-N 3.1Å; P381-L386 WeakPolarHBondContact O-CD1 3.4Å; P381-V392 HydrophobicContact CB-CG1 4.37Å; P381-Q393 HydrophobicContact CB-CB 3.88Å; P381-Q393 HydrophobicContact CG-CB 4.21Å; P381-Q393 HydrophobicContact CG-CG 4.4Å
382	D	90.9	Very high	95.9	Very high	110 Å²	110	48.1 Å²	48.1	59%	0.588	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	2.3	-175.4	-46.8	-70.7	0	0	0	113	S380 A384	S380-D382 VanDerWaalsContact C-N 3.27Å; S380-D382 PolarHBondContact O-N 3.44Å; S380-D382 PolarHBondContact OG-N 3.41Å; S380-D382 PolarHBondContact OG-OD2 3.35Å; D382-A384 PolarHBondContact O-N 2.69Å
383	R	91.8	Very high	95.8	Very high	39 Å²	39	52.1 Å²	52.1	15%	0.147	25%	0.248	C	C	.	.	S	Bend	trans	-68.5	131.5	176.4	-51.1	-47.9	-176	161.3	-2.2	109.9	L305 S308 E312 V377 S380 P381 L386	L305-R383 HydrophobicContact CD2-CG 3.92Å; S308-R383 WeakPolarHBondContact OG-CD 3.41Å; S308-R383 WeakPolarHBondContact OG-CG 3.4Å; S308-R383 PolarHBondContact OG-NE 3.22Å; E312-R383 VanDerWaalsContact CD-NH2 3.34Å; E312-R383 IonicContact OE1-CZ 3.2Å; E312-R383 IonicContact OE1-NH1 3.54Å; E312-R383 PolarHBondContact OE1-NH1 3.36Å; E312-R383 IonicContact OE1-NH2 3.85Å; E312-R383 PolarHBondContact OE1-NH2 3.29Å; E312-R383 IonicContact OE2-CZ 2.82Å; E312-R383 IonicContact OE2-NH1 3.52Å; E312-R383 PolarHBondContact OE2-NH1 3.18Å; E312-R383 IonicContact OE2-NH2 2.65Å; E312-R383 PolarHBondContact OE2-NH2 3.15Å; V377-R383 PolarHBondContact O-NH2 3.15Å; S380-R383 WeakPolarHBondContact O-CG 3.45Å; P381-R383 VanDerWaalsContact C-N 3.25Å; P381-R383 PolarHBondContact O-N 3.1Å; R383-L386 HydrophobicContact CB-CD1 3.97Å; R383-L386 HydrophobicContact CB-CG 4.08Å; R383-L386 WeakPolarHBondContact O-CG 3.27Å
384	A	89.6	Confident	95.7	Very high	66 Å²	66	58.8 Å²	58.8	55%	0.545	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	146.3	175.1	0	0	0	0	0	111.4	D382 L386	D382-A384 PolarHBondContact O-N 2.69Å; A384-L386 VanDerWaalsContact C-N 3.32Å; A384-L386 PolarHBondContact O-N 3.41Å
385	W	93.5	Very high	95.6	Very high	228 Å²	228	59.5 Å²	59.5	86%	0.864	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	11.1	173.9	-43.8	101.9	0	0	0	117.3	L304	L304-W385 VanDerWaalsContact CD1-C 3.5Å; L304-W385 HydrophobicContact CD1-CB 4.11Å; L304-W385 VanDerWaalsContact CD1-O 3.24Å; L304-W385 WeakPolarHBondContact CD1-O 3.41Å
386	L	94.6	Very high	95.5	Very high	22 Å²	22	60.1 Å²	60.1	12%	0.115	28%	0.284	C	S	.	.			trans	-59.9	137.1	170.9	-70.7	173.7	0	0	0	112	D301 L304 L305 P381 R383 A384 P389 V392	D301-L386 HydrophobicContact CB-CD2 3.81Å; D301-L386 WeakPolarHBondContact OD1-CA 3.27Å; L304-L386 HydrophobicContact CB-CD2 4.18Å; L304-L386 HydrophobicContact CD1-CD2 4.27Å; L305-L386 HydrophobicContact CD2-CD2 4.35Å; L305-L386 HydrophobicContact CG-CD2 4.27Å; P381-L386 WeakPolarHBondContact O-CD1 3.4Å; R383-L386 HydrophobicContact CB-CD1 3.97Å; R383-L386 HydrophobicContact CB-CG 4.08Å; R383-L386 WeakPolarHBondContact O-CG 3.27Å; A384-L386 VanDerWaalsContact C-N 3.32Å; A384-L386 PolarHBondContact O-N 3.41Å; L386-P389 HydrophobicContact CB-CB 4.11Å; L386-P389 HydrophobicContact CD1-CB 4.36Å; L386-V392 HydrophobicContact CD1-CB 4.49Å; L386-V392 HydrophobicContact CD1-CG1 4.43Å; L386-V392 HydrophobicContact CD1-CG2 4.25Å; L386-V392 HydrophobicContact CD2-CG2 4.4Å
387	I	95.8	Very high	95.4	Very high	105 Å²	105	63.1 Å²	63.1	54%	0.538	30%	0.298	S	S	.	.	S	Bend	trans	-84.6	-44.3	178.2	-57.9	-175.1	0	0	0	110.7	N300 D301 P389	N300-I387 HydrophobicContact CB-CD1 3.81Å; N300-I387 WeakPolarHBondContact ND2-CD1 3.4Å; D301-I387 PolarHBondContact OD1-N 3.22Å; I387-P389 VanDerWaalsContact O-CD 3.24Å; I387-P389 WeakPolarHBondContact O-CD 3.47Å
388	E	95.5	Very high	95.3	Very high	67 Å²	67	65.5 Å²	65.5	31%	0.313	31%	0.308	S	S	.	.	S	Bend	trans	-113.1	52.9	179.5	-55.2	-172.6	89.8	0	0	112.9	C298 D301 R390 K391 V392	C298-E388 PolarHBondContact N-OE2 3.31Å; D301-E388 WeakPolarHBondContact OD2-CB 3.3Å; D301-E388 PolarHBondContact OD2-N 3.04Å; E388-R390 PolarHBondContact O-N 3.49Å; E388-R390 VanDerWaalsContact O-N 3.1Å; E388-K391 HydrophobicContact CB-CB 3.85Å; E388-K391 HydrophobicContact CB-CD 4.17Å; E388-K391 VanDerWaalsContact CD-CD 3.47Å; E388-K391 HydrophobicContact CG-CD 4.46Å; E388-K391 WeakPolarHBondContact O-CA 3.28Å; E388-K391 VanDerWaalsContact O-CB 3.31Å; E388-K391 WeakPolarHBondContact O-CB 3.4Å; E388-K391 PolarHBondContact O-N 3.47Å; E388-K391 WeakPolarHBondContact OE1-CD 3.33Å; E388-K391 IonicContact OE1-NZ 3.28Å; E388-K391 PolarHBondContact OE1-NZ 3.39Å; E388-K391 WeakPolarHBondContact OE2-CD 3.31Å; E388-K391 IonicContact OE2-NZ 3.58Å; E388-K391 PolarHBondContact OE2-NZ 2.96Å; E388-V392 PolarHBondContact O-N 2.95Å
389	P	96	Very high	95.2	Very high	52 Å²	52	65.5 Å²	65.5	34%	0.338	31%	0.308	S	S	.	.	H	α-helix	trans	-58.6	-32.8	-172.9	23.6	-33.7	0	0	0	113.2	L386 I387 K391 V392 Q393	L386-P389 HydrophobicContact CB-CB 4.11Å; L386-P389 HydrophobicContact CD1-CB 4.36Å; I387-P389 VanDerWaalsContact O-CD 3.24Å; I387-P389 WeakPolarHBondContact O-CD 3.47Å; P389-K391 VanDerWaalsContact C-N 3.26Å; P389-K391 PolarHBondContact O-N 3.19Å; P389-V392 PolarHBondContact O-N 3.15Å; P389-Q393 WeakPolarHBondContact O-CB 3.28Å; P389-Q393 PolarHBondContact O-N 3.46Å
390	R	96.3	Very high	95.1	Very high	205 Å²	205	65.9 Å²	65.9	77%	0.774	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-26.3	173.9	-66.3	-178.9	179.6	170.3	0.1	113.9	E388 K394	E388-R390 PolarHBondContact O-N 3.49Å; E388-R390 VanDerWaalsContact O-N 3.1Å; R390-K394 WeakPolarHBondContact O-CG 3.48Å; R390-K394 PolarHBondContact O-N 3.41Å
391	K	96.4	Very high	95	Very high	74 Å²	74	67.3 Å²	67.3	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-83	-39.3	178	-171.5	179.7	173.1	-176.3	0	110.5	E296 L297 E388 P389 K394 L395	E296-K391 VanDerWaalsContact O-CE 3.28Å; E296-K391 WeakPolarHBondContact O-CE 3.27Å; E296-K391 PolarHBondContact O-NZ 2.89Å; L297-K391 HydrophobicContact CD2-CB 4.34Å; L297-K391 HydrophobicContact CD2-CD 3.97Å; L297-K391 HydrophobicContact CD2-CG 3.8Å; E388-K391 HydrophobicContact CB-CB 3.85Å; E388-K391 HydrophobicContact CB-CD 4.17Å; E388-K391 VanDerWaalsContact CD-CD 3.47Å; E388-K391 HydrophobicContact CG-CD 4.46Å; E388-K391 WeakPolarHBondContact O-CA 3.28Å; E388-K391 VanDerWaalsContact O-CB 3.31Å; E388-K391 WeakPolarHBondContact O-CB 3.4Å; E388-K391 PolarHBondContact O-N 3.47Å; E388-K391 WeakPolarHBondContact OE1-CD 3.33Å; E388-K391 IonicContact OE1-NZ 3.28Å; E388-K391 PolarHBondContact OE1-NZ 3.39Å; E388-K391 WeakPolarHBondContact OE2-CD 3.31Å; E388-K391 IonicContact OE2-NZ 3.58Å; E388-K391 PolarHBondContact OE2-NZ 2.96Å; P389-K391 VanDerWaalsContact C-N 3.26Å; P389-K391 PolarHBondContact O-N 3.19Å; K391-K394 PolarHBondContact O-N 3.17Å; K391-L395 PolarHBondContact O-N 3.02Å; K391-L395 VanDerWaalsContact O-N 3.11Å
392	V	97.7	Very high	95	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-48.8	169	-179.6	0	0	0	0	110.3	L297 L305 I379 S380 P381 L386 E388 P389 K394 L395 Q396	L297-V392 HydrophobicContact CD1-CG2 4.21Å; L297-V392 HydrophobicContact CD2-CG2 4.15Å; L305-V392 HydrophobicContact CD1-CG1 4.23Å; L305-V392 HydrophobicContact CD1-CG2 4.25Å; L305-V392 HydrophobicContact CD2-CG1 4.03Å; I379-V392 HydrophobicContact CG2-CG1 3.84Å; S380-V392 WeakPolarHBondContact O-CG1 3.39Å; P381-V392 HydrophobicContact CB-CG1 4.37Å; L386-V392 HydrophobicContact CD1-CB 4.49Å; L386-V392 HydrophobicContact CD1-CG1 4.43Å; L386-V392 HydrophobicContact CD1-CG2 4.25Å; L386-V392 HydrophobicContact CD2-CG2 4.4Å; E388-V392 PolarHBondContact O-N 2.95Å; P389-V392 PolarHBondContact O-N 3.15Å; V392-K394 PolarHBondContact O-N 3.06Å; V392-L395 WeakPolarHBondContact O-CB 3.28Å; V392-L395 PolarHBondContact O-N 3.13Å; V392-L395 VanDerWaalsContact O-N 3.11Å; V392-Q396 PolarHBondContact O-N 3.02Å
393	Q	96.8	Very high	95.2	Very high	84 Å²	84	60.9 Å²	60.9	39%	0.393	28%	0.279	S	S	.	.	H	α-helix	trans	-55.3	-52.4	176.5	-174	-172.4	-15.1	0	0	111.8	P381 P389 L395 Q396 E397	P381-Q393 HydrophobicContact CB-CB 3.88Å; P381-Q393 HydrophobicContact CG-CB 4.21Å; P381-Q393 HydrophobicContact CG-CG 4.4Å; P389-Q393 WeakPolarHBondContact O-CB 3.28Å; P389-Q393 PolarHBondContact O-N 3.46Å; Q393-L395 PolarHBondContact O-N 3.48Å; Q393-Q396 WeakPolarHBondContact O-CB 3.49Å; Q393-Q396 PolarHBondContact O-N 3.41Å; Q393-E397 HydrophobicContact CG-CG 4.38Å; Q393-E397 WeakPolarHBondContact CG-OE1 3.5Å; Q393-E397 PolarHBondContact NE2-OE1 2.68Å; Q393-E397 WeakPolarHBondContact O-CG 3.4Å; Q393-E397 PolarHBondContact O-N 2.75Å
394	K	95.5	Very high	95.3	Very high	140 Å²	140	60 Å²	60	61%	0.609	28%	0.276	S	S	*	.	H	α-helix	trans	-59.5	-30.1	177.6	-77.4	179.1	177.9	-170.7	0	114	R390 K391 V392 K398	R390-K394 WeakPolarHBondContact O-CG 3.48Å; R390-K394 PolarHBondContact O-N 3.41Å; K391-K394 PolarHBondContact O-N 3.17Å; V392-K394 PolarHBondContact O-N 3.06Å; K394-K398 WeakPolarHBondContact O-CG 3.18Å
395	L	96.1	Very high	95.4	Very high	16 Å²	16	59.6 Å²	59.6	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-73.9	-44.4	174.3	-179.1	55.7	0	0	0	110.6	T292 L297 I379 K391 V392 Q393 K398 I399	T292-L395 WeakPolarHBondContact O-CD1 3.44Å; L297-L395 HydrophobicContact CD1-CD2 4.34Å; I379-L395 HydrophobicContact CD1-CD2 3.98Å; I379-L395 HydrophobicContact CD1-CG 4.3Å; I379-L395 HydrophobicContact CG2-CB 4.24Å; I379-L395 HydrophobicContact CG2-CD2 3.98Å; I379-L395 HydrophobicContact CG2-CG 4.02Å; K391-L395 PolarHBondContact O-N 3.02Å; K391-L395 VanDerWaalsContact O-N 3.11Å; V392-L395 WeakPolarHBondContact O-CB 3.28Å; V392-L395 PolarHBondContact O-N 3.13Å; V392-L395 VanDerWaalsContact O-N 3.11Å; Q393-L395 PolarHBondContact O-N 3.48Å; L395-K398 PolarHBondContact O-N 3.06Å; L395-I399 HydrophobicContact CD1-CD1 4.38Å; L395-I399 HydrophobicContact CG-CD1 4.13Å; L395-I399 WeakPolarHBondContact O-CD1 3.26Å; L395-I399 VanDerWaalsContact O-CG1 3.32Å; L395-I399 WeakPolarHBondContact O-CG1 3.23Å; L395-I399 PolarHBondContact O-N 2.87Å
396	Q	96.9	Very high	95.4	Very high	12 Å²	12	49 Å²	49	6%	0.056	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-42.7	176.1	-159.8	-169.5	39.2	0	0	112.6	A376 I379 V392 Q393 K398 I399 Y400	A376-Q396 PolarHBondContact O-NE2 3.36Å; I379-Q396 VanDerWaalsContact O-CB 3.22Å; I379-Q396 WeakPolarHBondContact O-CB 3.36Å; I379-Q396 WeakPolarHBondContact O-CG 3.4Å; I379-Q396 PolarHBondContact O-NE2 2.9Å; V392-Q396 PolarHBondContact O-N 3.02Å; Q393-Q396 WeakPolarHBondContact O-CB 3.49Å; Q393-Q396 PolarHBondContact O-N 3.41Å; Q396-K398 VanDerWaalsContact C-N 3.31Å; Q396-K398 PolarHBondContact O-N 3.4Å; Q396-I399 CarbonylContact O-C 3.58Å; Q396-I399 WeakPolarHBondContact O-CA 3.38Å; Q396-I399 WeakPolarHBondContact O-CB 3.33Å; Q396-I399 PolarHBondContact O-N 3.38Å; Q396-Y400 HydrophobicContact CG-CD2 3.82Å; Q396-Y400 HydrophobicContact CG-CE2 3.68Å; Q396-Y400 PolarHBondContact O-N 3.39Å
397	E	95.1	Very high	95.3	Very high	64 Å²	64	48 Å²	48	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-54.6	-46.1	176.8	-75.9	167.1	179.2	0	0	111.2	Q393 I399 Y400 F401	Q393-E397 HydrophobicContact CG-CG 4.38Å; Q393-E397 WeakPolarHBondContact CG-OE1 3.5Å; Q393-E397 PolarHBondContact NE2-OE1 2.68Å; Q393-E397 WeakPolarHBondContact O-CG 3.4Å; Q393-E397 PolarHBondContact O-N 2.75Å; E397-I399 VanDerWaalsContact C-N 3.32Å; E397-I399 PolarHBondContact O-N 3.39Å; E397-Y400 PolarHBondContact O-N 3.01Å; E397-F401 HydrophobicContact CB-CE2 4.34Å; E397-F401 WeakPolarHBondContact O-CD2 3.4Å; E397-F401 WeakPolarHBondContact O-CG 3.38Å; E397-F401 PolarHBondContact O-N 2.94Å
398	K	94.9	Very high	95	Very high	54 Å²	54	45.4 Å²	45.4	24%	0.235	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-36.6	175.3	-69.5	-178.2	179.6	-165.6	0	112.9	I218 E222 I226 K394 L395 Q396 A402	I218-K398 HydrophobicContact CD1-CG 4.19Å; E222-K398 IonicContact OE1-NZ 2.73Å; E222-K398 PolarHBondContact OE1-NZ 3.46Å; E222-K398 IonicContact OE2-NZ 3.5Å; I226-K398 HydrophobicContact CD1-CB 3.88Å; I226-K398 HydrophobicContact CD1-CD 3.76Å; I226-K398 HydrophobicContact CD1-CG 4.32Å; K394-K398 WeakPolarHBondContact O-CG 3.18Å; L395-K398 PolarHBondContact O-N 3.06Å; Q396-K398 VanDerWaalsContact C-N 3.31Å; Q396-K398 PolarHBondContact O-N 3.4Å; K398-A402 PolarHBondContact O-N 3.37Å; K398-A402 VanDerWaalsContact O-N 3.07Å
399	I	96.8	Very high	94.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-70.2	-40	177.5	-63.1	158.6	0	0	0	110.6	I230 L372 S375 A376 I379 L395 Q396 E397 A402 L403	I230-I399 HydrophobicContact CD1-CG1 3.86Å; I230-I399 HydrophobicContact CD1-CG2 4.24Å; L372-I399 HydrophobicContact CD2-CG2 4.32Å; L372-I399 WeakPolarHBondContact O-CG2 3.49Å; S375-I399 WeakPolarHBondContact OG-CD1 3.22Å; A376-I399 HydrophobicContact CB-CG2 3.95Å; I379-I399 HydrophobicContact CB-CD1 4.3Å; I379-I399 HydrophobicContact CD1-CD1 3.64Å; I379-I399 HydrophobicContact CG1-CD1 4.49Å; L395-I399 HydrophobicContact CD1-CD1 4.38Å; L395-I399 HydrophobicContact CG-CD1 4.13Å; L395-I399 WeakPolarHBondContact O-CD1 3.26Å; L395-I399 VanDerWaalsContact O-CG1 3.32Å; L395-I399 WeakPolarHBondContact O-CG1 3.23Å; L395-I399 PolarHBondContact O-N 2.87Å; Q396-I399 CarbonylContact O-C 3.58Å; Q396-I399 WeakPolarHBondContact O-CA 3.38Å; Q396-I399 WeakPolarHBondContact O-CB 3.33Å; Q396-I399 PolarHBondContact O-N 3.38Å; E397-I399 VanDerWaalsContact C-N 3.32Å; E397-I399 PolarHBondContact O-N 3.39Å; I399-A402 WeakPolarHBondContact O-CB 3.37Å; I399-A402 PolarHBondContact O-N 2.86Å; I399-L403 WeakPolarHBondContact O-CB 3.45Å; I399-L403 PolarHBondContact O-N 3.4Å
400	Y	95.3	Very high	94.3	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-39	174.3	-86	-59.6	0	0	0	112.6	L203 Y206 A376 Q396 E397 A402 L403 Q404 I421 I424	L203-Y400 HydrophobicContact CD2-CE2 4.28Å; Y206-Y400 WeakPolarHBondContact OH-CB 3.02Å; A376-Y400 HydrophobicContact CB-CD1 4.37Å; A376-Y400 HydrophobicContact CB-CE1 3.96Å; A376-Y400 HydrophobicContact CB-CE2 4.28Å; Q396-Y400 HydrophobicContact CG-CD2 3.82Å; Q396-Y400 HydrophobicContact CG-CE2 3.68Å; Q396-Y400 PolarHBondContact O-N 3.39Å; E397-Y400 PolarHBondContact O-N 3.01Å; Y400-A402 VanDerWaalsContact C-N 3.3Å; Y400-A402 PolarHBondContact O-N 3.22Å; Y400-L403 HydrophobicContact CD1-CD2 4.16Å; Y400-L403 HydrophobicContact CE1-CD2 4.33Å; Y400-L403 PolarHBondContact O-N 3.4Å; Y400-Q404 WeakPolarHBondContact O-CB 3.41Å; Y400-Q404 PolarHBondContact O-N 3.18Å; Y400-I421 HydrophobicContact CE1-CD1 4.27Å; Y400-I421 HydrophobicContact CE1-CG1 4.13Å; Y400-I424 WeakPolarHBondContact OH-CD1 3.3Å
401	F	94	Very high	93.7	Very high	44 Å²	44	41.2 Å²	41.2	19%	0.193	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-38.8	171.5	-68.3	-52.7	0	0	0	112	Y206 I218 I223 E397 H405	Y206-F401 HydrophobicContact CD1-CE1 4.31Å; Y206-F401 HydrophobicContact CE1-CD1 4.07Å; Y206-F401 AromaticContact CE1-CE1 3.7Å; Y206-F401 HydrophobicContact CE1-CE1 3.7Å; Y206-F401 HydrophobicContact CE1-CZ 4.19Å; I218-F401 HydrophobicContact CD1-CD2 4.21Å; I218-F401 HydrophobicContact CD1-CE2 4.07Å; I223-F401 HydrophobicContact CD1-CB 3.88Å; I223-F401 HydrophobicContact CG1-CB 4.31Å; E397-F401 HydrophobicContact CB-CE2 4.34Å; E397-F401 WeakPolarHBondContact O-CD2 3.4Å; E397-F401 WeakPolarHBondContact O-CG 3.38Å; E397-F401 PolarHBondContact O-N 2.94Å; F401-H405 WeakPolarHBondContact O-CB 3.49Å; F401-H405 PolarHBondContact O-N 2.9Å
402	A	95.8	Very high	92.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-43.7	173	0	0	0	0	0	112.7	I223 A227 L372 K398 I399 Y400 H405 V406	I223-A402 HydrophobicContact CG2-CB 3.89Å; A227-A402 HydrophobicContact CB-CB 4.05Å; L372-A402 HydrophobicContact CD1-CB 4.47Å; L372-A402 HydrophobicContact CD2-CB 3.69Å; K398-A402 PolarHBondContact O-N 3.37Å; K398-A402 VanDerWaalsContact O-N 3.07Å; I399-A402 WeakPolarHBondContact O-CB 3.37Å; I399-A402 PolarHBondContact O-N 2.86Å; Y400-A402 VanDerWaalsContact C-N 3.3Å; Y400-A402 PolarHBondContact O-N 3.22Å; A402-H405 PolarHBondContact O-N 3.12Å; A402-V406 WeakPolarHBondContact O-CG2 3.47Å; A402-V406 PolarHBondContact O-N 2.91Å
403	L	95.6	Very high	91.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-46.6	176.3	-178.6	60.4	0	0	0	111.3	L372 F373 I399 Y400 V406 I407 L417	L372-L403 HydrophobicContact CB-CB 4.04Å; L372-L403 HydrophobicContact CB-CD1 3.65Å; L372-L403 HydrophobicContact CB-CG 4.39Å; F373-L403 HydrophobicContact CB-CD1 4.46Å; F373-L403 HydrophobicContact CB-CD2 4.33Å; F373-L403 HydrophobicContact CD2-CD2 4.21Å; I399-L403 WeakPolarHBondContact O-CB 3.45Å; I399-L403 PolarHBondContact O-N 3.4Å; Y400-L403 HydrophobicContact CD1-CD2 4.16Å; Y400-L403 HydrophobicContact CE1-CD2 4.33Å; Y400-L403 PolarHBondContact O-N 3.4Å; L403-V406 PolarHBondContact O-N 3.31Å; L403-I407 HydrophobicContact CD1-CD1 3.79Å; L403-I407 HydrophobicContact CD1-CG1 4.2Å; L403-I407 HydrophobicContact CG-CD1 3.8Å; L403-I407 WeakPolarHBondContact O-CB 3.31Å; L403-I407 VanDerWaalsContact O-CG1 3.32Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3.4Å; L403-L417 HydrophobicContact CD2-CD1 3.77Å; L403-L417 HydrophobicContact CG-CD1 4.05Å
404	Q	93.7	Very high	90.8	Very high	19 Å²	19	47.2 Å²	47.2	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-45	177.4	-173.3	168.2	24.8	0	0	111.5	F209 Y400 V406 I407 Q408 D414 L417	F209-Q404 HydrophobicContact CE2-CG 4.37Å; Y400-Q404 WeakPolarHBondContact O-CB 3.41Å; Y400-Q404 PolarHBondContact O-N 3.18Å; Q404-V406 VanDerWaalsContact C-N 3.35Å; Q404-V406 PolarHBondContact O-N 3.14Å; Q404-I407 PolarHBondContact O-N 2.66Å; Q404-Q408 HydrophobicContact CG-CG 4.33Å; Q404-Q408 WeakPolarHBondContact O-CB 3.28Å; Q404-Q408 VanDerWaalsContact O-CG 3.29Å; Q404-Q408 WeakPolarHBondContact O-CG 3.35Å; Q404-Q408 PolarHBondContact O-N 2.79Å; Q404-D414 PolarHBondContact NE2-OD1 2.99Å; Q404-L417 HydrophobicContact CB-CD2 3.77Å; Q404-L417 HydrophobicContact CG-CD2 3.8Å
405	H	91.5	Very high	90.4	Very high	58 Å²	58	46.2 Å²	46.2	27%	0.269	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-43.4	177.5	-177.8	60.4	0	0	0	112.5	I223 D224 F401 A402 K409	I223-H405 HydrophobicContact CG2-CB 4.44Å; D224-H405 IonicContact OD1-CD2 3.96Å; D224-H405 IonicContact OD1-NE2 3.05Å; F401-H405 WeakPolarHBondContact O-CB 3.49Å; F401-H405 PolarHBondContact O-N 2.9Å; A402-H405 PolarHBondContact O-N 3.12Å; H405-K409 WeakPolarHBondContact O-CB 3.5Å; H405-K409 PolarHBondContact O-N 3.2Å; H405-K409 VanDerWaalsContact O-N 3.08Å
406	V	93.6	Very high	90.1	Very high	5 Å²	5	46 Å²	46	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-69	-42.1	178.4	171.8	0	0	0	0	111.8	A227 E368 E369 L372 A402 L403 Q404 K409 N410	A227-V406 HydrophobicContact CB-CG2 4.48Å; E368-V406 HydrophobicContact CB-CG1 3.73Å; E369-V406 HydrophobicContact CG-CG1 4.15Å; L372-V406 HydrophobicContact CD1-CB 3.97Å; L372-V406 HydrophobicContact CD1-CG1 4.41Å; L372-V406 HydrophobicContact CD1-CG2 3.62Å; A402-V406 WeakPolarHBondContact O-CG2 3.47Å; A402-V406 PolarHBondContact O-N 2.91Å; L403-V406 PolarHBondContact O-N 3.31Å; Q404-V406 VanDerWaalsContact C-N 3.35Å; Q404-V406 PolarHBondContact O-N 3.14Å; V406-K409 WeakPolarHBondContact O-CB 3.27Å; V406-K409 PolarHBondContact O-N 2.69Å; V406-N410 WeakPolarHBondContact O-CB 3.49Å; V406-N410 VanDerWaalsContact O-CG 3.28Å; V406-N410 PolarHBondContact O-N 3.35Å; V406-N410 PolarHBondContact O-ND2 3.28Å
407	I	92	Very high	89.8	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-48.3	176.1	-71.8	170.4	0	0	0	110.8	E369 L403 Q404 K409 N410 H411 D413 T416 L417 L420	E369-I407 HydrophobicContact CG-CG1 3.81Å; L403-I407 HydrophobicContact CD1-CD1 3.79Å; L403-I407 HydrophobicContact CD1-CG1 4.2Å; L403-I407 HydrophobicContact CG-CD1 3.8Å; L403-I407 WeakPolarHBondContact O-CB 3.31Å; L403-I407 VanDerWaalsContact O-CG1 3.32Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3.4Å; Q404-I407 PolarHBondContact O-N 2.66Å; I407-K409 VanDerWaalsContact C-N 3.26Å; I407-K409 PolarHBondContact O-N 3.11Å; I407-N410 PolarHBondContact O-N 3.47Å; I407-N410 VanDerWaalsContact O-N 3.1Å; I407-H411 PolarHBondContact O-N 3.23Å; I407-D413 WeakPolarHBondContact CG2-O 3.48Å; I407-T416 HydrophobicContact CG2-CG2 4.28Å; I407-L417 HydrophobicContact CD1-CB 3.84Å; I407-L417 HydrophobicContact CD1-CD1 3.98Å; I407-L417 HydrophobicContact CD1-CG 4.47Å; I407-L420 HydrophobicContact CD1-CD1 3.71Å
408	Q	89.8	Confident	89.6	Confident	51 Å²	51	45.7 Å²	45.7	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-36.6	178.2	-73.9	175.9	-6.7	0	0	112.2	Q404 L412 D414	Q404-Q408 HydrophobicContact CG-CG 4.33Å; Q404-Q408 WeakPolarHBondContact O-CB 3.28Å; Q404-Q408 VanDerWaalsContact O-CG 3.29Å; Q404-Q408 WeakPolarHBondContact O-CG 3.35Å; Q404-Q408 PolarHBondContact O-N 2.79Å; Q408-L412 WeakPolarHBondContact O-CA 3.46Å; Q408-L412 PolarHBondContact O-N 3.4Å; Q408-D414 PolarHBondContact NE2-OD1 3.31Å
409	K	88.8	Confident	89.6	Confident	118 Å²	118	46.8 Å²	46.8	51%	0.513	24%	0.236	S	C	.	.	H	α-helix	trans	-67.1	-36	175.2	172.8	-168.5	159	-141.8	0	113	E368 H405 V406 I407	E368-K409 IonicContact OE2-NZ 3.45Å; E368-K409 PolarHBondContact OE2-NZ 3.07Å; H405-K409 WeakPolarHBondContact O-CB 3.5Å; H405-K409 PolarHBondContact O-N 3.2Å; H405-K409 VanDerWaalsContact O-N 3.08Å; V406-K409 WeakPolarHBondContact O-CB 3.27Å; V406-K409 PolarHBondContact O-N 2.69Å; I407-K409 VanDerWaalsContact C-N 3.26Å; I407-K409 PolarHBondContact O-N 3.11Å
410	N	87.3	Confident	89.4	Confident	60 Å²	60	46.8 Å²	46.8	32%	0.321	24%	0.236	S	C	.	.	H	α-helix	trans	-94.7	-43	-171.4	-67.1	-14	0	0	0	113.4	T366 E369 V406 I407	T366-N410 PolarHBondContact OG1-ND2 3.4Å; E369-N410 WeakPolarHBondContact OE1-CB 3.48Å; E369-N410 PolarHBondContact OE1-ND2 2.99Å; V406-N410 WeakPolarHBondContact O-CB 3.49Å; V406-N410 VanDerWaalsContact O-CG 3.28Å; V406-N410 PolarHBondContact O-N 3.35Å; V406-N410 PolarHBondContact O-ND2 3.28Å; I407-N410 PolarHBondContact O-N 3.47Å; I407-N410 VanDerWaalsContact O-N 3.1Å
411	H	83.7	Confident	89.4	Confident	58 Å²	58	47.5 Å²	47.5	27%	0.269	24%	0.24	S	C	.	.	H	α-helix	trans	-105.3	-17.2	-173.2	-60.7	-78.7	0	0	0	113.9	E369 I407 D413	E369-H411 VanDerWaalsContact CD-NE2 3.26Å; E369-H411 IonicContact OE1-CD2 2.75Å; E369-H411 IonicContact OE1-NE2 3.48Å; E369-H411 PolarHBondContact OE1-NE2 2.9Å; E369-H411 IonicContact OE2-CD2 3.46Å; E369-H411 IonicContact OE2-CE1 2.87Å; E369-H411 IonicContact OE2-NE2 3.68Å; E369-H411 PolarHBondContact OE2-NE2 2.94Å; I407-H411 PolarHBondContact O-N 3.23Å; H411-D413 PolarHBondContact O-N 2.95Å
412	L	75.8	Confident	89.4	Confident	157 Å²	157	48.6 Å²	48.6	82%	0.822	26%	0.257	S	S	*	.	S	Bend	trans	61	16.5	-174.4	-55	169.1	0	0	0	114.7	Q408	Q408-L412 WeakPolarHBondContact O-CA 3.46Å; Q408-L412 PolarHBondContact O-N 3.4Å
413	D	76.9	Confident	89.4	Confident	54 Å²	54	50.9 Å²	50.9	29%	0.289	27%	0.267	S	S	.	.			trans	-130.1	155.3	173.8	73.7	49.4	0	0	0	113.2	I407 H411 E415 T416	I407-D413 WeakPolarHBondContact CG2-O 3.48Å; H411-D413 PolarHBondContact O-N 2.95Å; D413-E415 HydrophobicContact CB-CB 4.44Å; D413-E415 PolarHBondContact OD1-N 3.44Å; D413-E415 VanDerWaalsContact OD1-N 3.12Å; D413-T416 VanDerWaalsContact OD1-CB 3.26Å; D413-T416 WeakPolarHBondContact OD1-CB 3.38Å; D413-T416 PolarHBondContact OD1-N 3.34Å; D413-T416 PolarHBondContact OD1-OG1 3.18Å
414	D	77.6	Confident	89.4	Confident	74 Å²	74	52.6 Å²	52.6	40%	0.396	28%	0.275	S	S	.	.	S	Bend	trans	-91.3	-7.4	166.9	-77.7	-49.5	0	0	0	111.7	Q404 Q408 T416 L417 A418	Q404-D414 PolarHBondContact NE2-OD1 2.99Å; Q408-D414 PolarHBondContact NE2-OD1 3.31Å; D414-T416 VanDerWaalsContact C-N 3.32Å; D414-T416 PolarHBondContact O-N 2.78Å; D414-L417 PolarHBondContact O-N 3.5Å; D414-A418 PolarHBondContact O-N 3.44Å
415	E	87.8	Confident	89.5	Confident	118 Å²	118	55.6 Å²	55.6	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-67	-35.5	-176.3	-161.1	-170	143.8	0	0	111.4	D413 L417 A418 K419	D413-E415 HydrophobicContact CB-CB 4.44Å; D413-E415 PolarHBondContact OD1-N 3.44Å; D413-E415 VanDerWaalsContact OD1-N 3.12Å; E415-L417 VanDerWaalsContact C-N 3.34Å; E415-L417 PolarHBondContact O-N 3.44Å; E415-A418 PolarHBondContact O-N 3.17Å; E415-K419 HydrophobicContact CG-CD 4.48Å; E415-K419 WeakPolarHBondContact O-CG 3.36Å; E415-K419 PolarHBondContact O-N 3Å; E415-K419 WeakPolarHBondContact OE1-CE 3.11Å; E415-K419 IonicContact OE1-NZ 3.79Å; E415-K419 PolarHBondContact OE1-NZ 2.73Å; E415-K419 IonicContact OE2-NZ 2.65Å
416	T	89	Confident	89.8	Confident	11 Å²	11	55.3 Å²	55.3	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-38.8	176	-59.9	0	0	0	0	111.8	L365 I407 D413 D414 K419 L420	L365-T416 HydrophobicContact CD2-CG2 4.33Å; I407-T416 HydrophobicContact CG2-CG2 4.28Å; D413-T416 VanDerWaalsContact OD1-CB 3.26Å; D413-T416 WeakPolarHBondContact OD1-CB 3.38Å; D413-T416 PolarHBondContact OD1-N 3.34Å; D413-T416 PolarHBondContact OD1-OG1 3.18Å; D414-T416 VanDerWaalsContact C-N 3.32Å; D414-T416 PolarHBondContact O-N 2.78Å; T416-K419 PolarHBondContact O-N 3.11Å; T416-L420 WeakPolarHBondContact O-CG 3.43Å; T416-L420 PolarHBondContact O-N 3.04Å
417	L	90.9	Very high	89.9	Confident	16 Å²	16	55.1 Å²	55.1	8%	0.084	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-43.4	174.1	177.5	59.7	0	0	0	111.4	L403 Q404 I407 D414 E415 L420 I421	L403-L417 HydrophobicContact CD2-CD1 3.77Å; L403-L417 HydrophobicContact CG-CD1 4.05Å; Q404-L417 HydrophobicContact CB-CD2 3.77Å; Q404-L417 HydrophobicContact CG-CD2 3.8Å; I407-L417 HydrophobicContact CD1-CB 3.84Å; I407-L417 HydrophobicContact CD1-CD1 3.98Å; I407-L417 HydrophobicContact CD1-CG 4.47Å; D414-L417 PolarHBondContact O-N 3.5Å; E415-L417 VanDerWaalsContact C-N 3.34Å; E415-L417 PolarHBondContact O-N 3.44Å; L417-L420 PolarHBondContact O-N 2.99Å; L417-I421 HydrophobicContact CD1-CD1 3.94Å; L417-I421 HydrophobicContact CD1-CG1 4.24Å; L417-I421 HydrophobicContact CG-CD1 4.01Å; L417-I421 WeakPolarHBondContact O-CG1 3.4Å; L417-I421 PolarHBondContact O-N 2.97Å
418	A	91.8	Very high	90.1	Very high	54 Å²	54	57.3 Å²	57.3	45%	0.446	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-43.3	176.3	0	0	0	0	0	111.8	D414 E415 L420 I421 A422	D414-A418 PolarHBondContact O-N 3.44Å; E415-A418 PolarHBondContact O-N 3.17Å; A418-L420 VanDerWaalsContact C-N 3.33Å; A418-L420 PolarHBondContact O-N 3.04Å; A418-I421 PolarHBondContact O-N 2.62Å; A418-A422 WeakPolarHBondContact O-CB 3.47Å; A418-A422 PolarHBondContact O-N 2.61Å
419	K	93.8	Very high	90.5	Very high	78 Å²	78	57.5 Å²	57.5	34%	0.339	32%	0.322	S	S	.	.	H	α-helix	trans	-58.8	-40.7	174.1	-74.7	165.6	-177.8	157.5	0	112.4	L363 E415 T416 K423	L363-K419 HydrophobicContact CD1-CB 4.25Å; L363-K419 HydrophobicContact CD2-CB 4.09Å; L363-K419 HydrophobicContact CD2-CD 3.96Å; E415-K419 HydrophobicContact CG-CD 4.48Å; E415-K419 WeakPolarHBondContact O-CG 3.36Å; E415-K419 PolarHBondContact O-N 3Å; E415-K419 WeakPolarHBondContact OE1-CE 3.11Å; E415-K419 IonicContact OE1-NZ 3.79Å; E415-K419 PolarHBondContact OE1-NZ 2.73Å; E415-K419 IonicContact OE2-NZ 2.65Å; T416-K419 PolarHBondContact O-N 3.11Å; K419-K423 WeakPolarHBondContact O-CG 3.34Å; K419-K423 PolarHBondContact O-N 2.82Å
420	L	93.8	Very high	90.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-48.3	176.9	-78.7	170.5	0	0	0	112.7	L360 L363 L365 F373 I407 T416 L417 A418 A422 K423	L360-L420 HydrophobicContact CD1-CD2 3.92Å; L363-L420 HydrophobicContact CD1-CD2 3.86Å; L363-L420 HydrophobicContact CD1-CG 4.16Å; L365-L420 HydrophobicContact CD1-CD2 3.64Å; L365-L420 HydrophobicContact CD2-CD1 4.01Å; L365-L420 HydrophobicContact CD2-CD2 3.94Å; L365-L420 HydrophobicContact CD2-CG 4.25Å; L365-L420 HydrophobicContact CG-CD2 4.41Å; F373-L420 HydrophobicContact CD1-CD2 4.11Å; F373-L420 HydrophobicContact CD2-CB 4.24Å; F373-L420 HydrophobicContact CD2-CD2 4.48Å; F373-L420 HydrophobicContact CE1-CD2 4.17Å; F373-L420 HydrophobicContact CE2-CB 4.04Å; F373-L420 HydrophobicContact CG-CD2 4.28Å; F373-L420 HydrophobicContact CZ-CB 4.43Å; F373-L420 HydrophobicContact CZ-CD2 4.39Å; F373-L420 WeakPolarHBondContact CZ-O 3.38Å; I407-L420 HydrophobicContact CD1-CD1 3.71Å; T416-L420 WeakPolarHBondContact O-CG 3.43Å; T416-L420 PolarHBondContact O-N 3.04Å; L417-L420 PolarHBondContact O-N 2.99Å; A418-L420 VanDerWaalsContact C-N 3.33Å; A418-L420 PolarHBondContact O-N 3.04Å; L420-A422 PolarHBondContact O-N 3.15Å; L420-K423 WeakPolarHBondContact O-CB 3.09Å; L420-K423 PolarHBondContact O-N 3.21Å
421	I	93.4	Very high	91.4	Very high	22 Å²	22	50 Å²	50	11%	0.113	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-39.2	177.8	-67.2	168.9	0	0	0	110.2	F204 Y400 L417 A418 K423 I424	F204-I421 HydrophobicContact CE1-CG2 4.47Å; F204-I421 HydrophobicContact CZ-CG2 3.9Å; Y400-I421 HydrophobicContact CE1-CD1 4.27Å; Y400-I421 HydrophobicContact CE1-CG1 4.13Å; L417-I421 HydrophobicContact CD1-CD1 3.94Å; L417-I421 HydrophobicContact CD1-CG1 4.24Å; L417-I421 HydrophobicContact CG-CD1 4.01Å; L417-I421 WeakPolarHBondContact O-CG1 3.4Å; L417-I421 PolarHBondContact O-N 2.97Å; A418-I421 PolarHBondContact O-N 2.62Å; I421-K423 PolarHBondContact O-N 2.93Å; I421-K423 VanDerWaalsContact O-N 3.12Å; I421-I424 HydrophobicContact CG2-CD1 4.49Å; I421-I424 WeakPolarHBondContact O-CB 3.2Å; I421-I424 WeakPolarHBondContact O-CG1 3.41Å; I421-I424 PolarHBondContact O-N 3.06Å
422	A	94.9	Very high	92	Very high	67 Å²	67	51.8 Å²	51.8	55%	0.554	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-12	174.4	0	0	0	0	0	114.8	A418 L420	A418-A422 WeakPolarHBondContact O-CB 3.47Å; A418-A422 PolarHBondContact O-N 2.61Å; L420-A422 PolarHBondContact O-N 3.15Å
423	K	95.4	Very high	93	Very high	47 Å²	47	45.7 Å²	45.7	20%	0.204	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-17.2	171.9	-62.7	-49.6	-176.9	-177.7	0	114	F356 K419 L420 I421 T426 I427	F356-K423 HydrophobicContact CE2-CB 4.22Å; K419-K423 WeakPolarHBondContact O-CG 3.34Å; K419-K423 PolarHBondContact O-N 2.82Å; L420-K423 WeakPolarHBondContact O-CB 3.09Å; L420-K423 PolarHBondContact O-N 3.21Å; I421-K423 PolarHBondContact O-N 2.93Å; I421-K423 VanDerWaalsContact O-N 3.12Å; K423-T426 WeakPolarHBondContact O-CB 3.46Å; K423-T426 PolarHBondContact O-N 3.34Å; K423-T426 VanDerWaalsContact O-N 3.1Å; K423-I427 WeakPolarHBondContact O-CG1 3.44Å; K423-I427 PolarHBondContact O-N 3.14Å
424	I	95.5	Very high	94	Very high	36 Å²	36	43.8 Å²	43.8	19%	0.185	26%	0.257	C	S	.	.	H	α-helix	trans	-57	-45.8	-177.9	-61.9	174.2	0	0	0	112.2	F373 V377 Y400 I421 T426 I427 T428	F373-I424 HydrophobicContact CE2-CD1 4.26Å; F373-I424 HydrophobicContact CE2-CG1 4.06Å; F373-I424 HydrophobicContact CZ-CG1 4.04Å; V377-I424 HydrophobicContact CG2-CG1 4.33Å; Y400-I424 WeakPolarHBondContact OH-CD1 3.3Å; I421-I424 HydrophobicContact CG2-CD1 4.49Å; I421-I424 WeakPolarHBondContact O-CB 3.2Å; I421-I424 WeakPolarHBondContact O-CG1 3.41Å; I421-I424 PolarHBondContact O-N 3.06Å; I424-T426 VanDerWaalsContact C-N 3.3Å; I424-T426 PolarHBondContact O-N 3.45Å; I424-I427 WeakPolarHBondContact O-CB 3.37Å; I424-I427 PolarHBondContact O-N 3.06Å; I424-T428 PolarHBondContact O-N 2.79Å; I424-T428 PolarHBondContact O-OG1 2.98Å; I424-T428 VanDerWaalsContact O-OG1 3.12Å
425	P	96.1	Very high	94.8	Very high	83 Å²	83	41.5 Å²	41.5	54%	0.539	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-37.6	176	-24.5	35.6	0	0	0	113.4	T428 A429	P425-T428 PolarHBondContact O-N 3.4Å; P425-A429 WeakPolarHBondContact O-CB 3.46Å; P425-A429 PolarHBondContact O-N 3.29Å
426	T	97.1	Very high	95.2	Very high	52 Å²	52	41.6 Å²	41.6	32%	0.319	25%	0.252	S	S	.	.	H	α-helix	trans	-65.6	-43.7	175.7	-47.4	0	0	0	0	111.3	F356 K423 I424 T428 A429 V430	F356-T426 HydrophobicContact CD2-CG2 3.97Å; K423-T426 WeakPolarHBondContact O-CB 3.46Å; K423-T426 PolarHBondContact O-N 3.34Å; K423-T426 VanDerWaalsContact O-N 3.1Å; I424-T426 VanDerWaalsContact C-N 3.3Å; I424-T426 PolarHBondContact O-N 3.45Å; T426-T428 VanDerWaalsContact C-N 3.31Å; T426-T428 PolarHBondContact O-N 3.44Å; T426-A429 PolarHBondContact O-N 2.8Å; T426-V430 WeakPolarHBondContact O-CG2 3.24Å; T426-V430 PolarHBondContact O-N 3.45Å
427	I	97.3	Very high	95.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-46.8	175.6	-64.2	164.3	0	0	0	110.2	E312 L315 V316 F356 F373 V377 K423 I424 A429 V430 C431	E312-I427 HydrophobicContact CB-CG2 3.49Å; E312-I427 VanDerWaalsContact CB-CG2 3.49Å; E312-I427 HydrophobicContact CG-CG2 3.74Å; L315-I427 HydrophobicContact CD1-CG2 4.37Å; V316-I427 HydrophobicContact CG2-CD1 3.66Å; F356-I427 HydrophobicContact CD2-CG1 4.24Å; F356-I427 HydrophobicContact CE1-CG1 4.25Å; F356-I427 HydrophobicContact CE2-CD1 4.04Å; F356-I427 HydrophobicContact CE2-CG1 3.31Å; F356-I427 HydrophobicContact CZ-CD1 3.79Å; F356-I427 HydrophobicContact CZ-CG1 3.32Å; F373-I427 HydrophobicContact CE1-CD1 3.93Å; F373-I427 HydrophobicContact CZ-CD1 3.99Å; V377-I427 HydrophobicContact CG2-CD1 4.47Å; K423-I427 WeakPolarHBondContact O-CG1 3.44Å; K423-I427 PolarHBondContact O-N 3.14Å; I424-I427 WeakPolarHBondContact O-CB 3.37Å; I424-I427 PolarHBondContact O-N 3.06Å; I427-A429 PolarHBondContact O-N 2.77Å; I427-V430 PolarHBondContact O-N 3.4Å; I427-C431 PolarHBondContact O-N 2.78Å; I427-C431 VanDerWaalsContact O-N 3.08Å; I427-C431 PolarHBondContact O-SG 3.02Å; I427-C431 VanDerWaalsContact O-SG 3.39Å
428	T	96	Very high	95.7	Very high	47 Å²	47	43 Å²	43	29%	0.288	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-42.1	177	-53.2	0	0	0	0	111.9	I424 P425 T426 C431 N432	I424-T428 PolarHBondContact O-N 2.79Å; I424-T428 PolarHBondContact O-OG1 2.98Å; I424-T428 VanDerWaalsContact O-OG1 3.12Å; P425-T428 PolarHBondContact O-N 3.4Å; T426-T428 VanDerWaalsContact C-N 3.31Å; T426-T428 PolarHBondContact O-N 3.44Å; T428-C431 PolarHBondContact O-N 3.47Å; T428-N432 VanDerWaalsContact O-CG 3.25Å; T428-N432 PolarHBondContact O-N 3.37Å; T428-N432 PolarHBondContact O-ND2 3.09Å
429	A	97.6	Very high	95.8	Very high	55 Å²	55	43.4 Å²	43.4	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-45.3	177.5	0	0	0	0	0	112.5	P425 T426 I427 C431 N432 L433	P425-A429 WeakPolarHBondContact O-CB 3.46Å; P425-A429 PolarHBondContact O-N 3.29Å; T426-A429 PolarHBondContact O-N 2.8Å; I427-A429 PolarHBondContact O-N 2.77Å; A429-C431 VanDerWaalsContact C-N 3.34Å; A429-C431 PolarHBondContact O-N 2.89Å; A429-N432 PolarHBondContact O-N 3.45Å; A429-L433 WeakPolarHBondContact O-CB 3.44Å; A429-L433 PolarHBondContact O-N 2.86Å
430	V	98.1	Very high	95.8	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-39.8	176.5	179.9	0	0	0	0	111.4	L315 L349 E352 A353 T426 I427 L433 H434	L315-V430 HydrophobicContact CD1-CB 3.78Å; L315-V430 HydrophobicContact CD1-CG1 3.6Å; L315-V430 HydrophobicContact CD2-CG1 3.93Å; L315-V430 HydrophobicContact CG-CG1 4.45Å; L349-V430 HydrophobicContact CD1-CG1 4.2Å; E352-V430 HydrophobicContact CB-CG2 4.11Å; A353-V430 HydrophobicContact CB-CG1 4.3Å; T426-V430 WeakPolarHBondContact O-CG2 3.24Å; T426-V430 PolarHBondContact O-N 3.45Å; I427-V430 PolarHBondContact O-N 3.4Å; V430-L433 PolarHBondContact O-N 3.21Å; V430-H434 PolarHBondContact O-N 3.32Å
431	C	96.9	Very high	95.8	Very high	16 Å²	16	43.6 Å²	43.6	11%	0.108	26%	0.257	C	S	.	.	H	α-helix	trans	-64.6	-40.9	175.4	-74.1	0	0	0	0	113	L311 E312 L315 I427 T428 A429 H434 G435	L311-C431 HydrophobicContact CD2-CB 4.16Å; E312-C431 HydrophobicContact CG-CB 4.49Å; E312-C431 VanDerWaalsContact CG-SG 3.52Å; L315-C431 VanDerWaalsContact CD1-SG 3.59Å; I427-C431 PolarHBondContact O-N 2.78Å; I427-C431 VanDerWaalsContact O-N 3.08Å; I427-C431 PolarHBondContact O-SG 3.02Å; I427-C431 VanDerWaalsContact O-SG 3.39Å; T428-C431 PolarHBondContact O-N 3.47Å; A429-C431 VanDerWaalsContact C-N 3.34Å; A429-C431 PolarHBondContact O-N 2.89Å; C431-H434 PolarHBondContact O-N 3.23Å; C431-G435 PolarHBondContact O-N 2.65Å
432	N	96.1	Very high	95.7	Very high	95 Å²	95	44 Å²	44	51%	0.508	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-46.3	175.4	-70.5	-16	0	0	0	110.9	T428 A429 H434 G435 E436	T428-N432 VanDerWaalsContact O-CG 3.25Å; T428-N432 PolarHBondContact O-N 3.37Å; T428-N432 PolarHBondContact O-ND2 3.09Å; A429-N432 PolarHBondContact O-N 3.45Å; N432-H434 VanDerWaalsContact C-N 3.33Å; N432-H434 PolarHBondContact O-N 2.91Å; N432-G435 CarbonylContact O-C 3.59Å; N432-G435 WeakPolarHBondContact O-CA 3.45Å; N432-G435 PolarHBondContact O-N 3.25Å; N432-E436 PolarHBondContact O-N 2.88Å
433	L	97.6	Very high	95.6	Very high	30 Å²	30	48.1 Å²	48.1	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-42.5	175.9	-175.2	61.3	0	0	0	111.6	L349 E352 A429 V430 G435 E436 K437	L349-L433 HydrophobicContact CB-CD2 4.16Å; L349-L433 HydrophobicContact CB-CG 4.23Å; L349-L433 HydrophobicContact CD1-CB 4.27Å; L349-L433 HydrophobicContact CD1-CD2 4.22Å; L349-L433 HydrophobicContact CD1-CG 4.09Å; E352-L433 HydrophobicContact CB-CD2 4.42Å; E352-L433 HydrophobicContact CG-CD2 4.15Å; A429-L433 WeakPolarHBondContact O-CB 3.44Å; A429-L433 PolarHBondContact O-N 2.86Å; V430-L433 PolarHBondContact O-N 3.21Å; L433-G435 VanDerWaalsContact C-N 3.32Å; L433-G435 PolarHBondContact O-N 2.89Å; L433-E436 PolarHBondContact O-N 2.89Å; L433-K437 HydrophobicContact CD1-CG 4.48Å; L433-K437 WeakPolarHBondContact O-CG 3.38Å; L433-K437 PolarHBondContact O-N 2.99Å
434	H	96.9	Very high	95.4	Very high	13 Å²	13	48.7 Å²	48.7	6%	0.06	28%	0.276	C	S	.	.	H	α-helix	trans	-57.5	-44.5	171.4	166.7	-84.8	0	0	0	111.8	L311 L349 V430 C431 N432 L438 Y457	L311-H434 HydrophobicContact CD2-CB 3.94Å; L311-H434 WeakPolarHBondContact CD2-ND1 3.5Å; L349-H434 HydrophobicContact CD1-CB 3.96Å; L349-H434 HydrophobicContact CD2-CB 4.17Å; V430-H434 PolarHBondContact O-N 3.32Å; C431-H434 PolarHBondContact O-N 3.23Å; N432-H434 VanDerWaalsContact C-N 3.33Å; N432-H434 PolarHBondContact O-N 2.91Å; H434-L438 VanDerWaalsContact O-CB 3.27Å; H434-L438 WeakPolarHBondContact O-CB 3.45Å; H434-L438 PolarHBondContact O-N 2.84Å; H434-Y457 AromaticContact CE1-CZ 3.95Å; H434-Y457 PolarHBondContact CE1-OH 3.2Å; H434-Y457 AromaticContact NE2-CZ 3.81Å; H434-Y457 PolarHBondContact NE2-OH 3.48Å
435	G	95.3	Very high	95.2	Very high	27 Å²	27	49 Å²	49	28%	0.278	28%	0.276	S	S	.	.	H	α-helix	trans	-57.8	-48.5	174.9	0	0	0	0	0	112.6	C431 N432 L433 L438 Q439	C431-G435 PolarHBondContact O-N 2.65Å; N432-G435 CarbonylContact O-C 3.59Å; N432-G435 WeakPolarHBondContact O-CA 3.45Å; N432-G435 PolarHBondContact O-N 3.25Å; L433-G435 VanDerWaalsContact C-N 3.32Å; L433-G435 PolarHBondContact O-N 2.89Å; G435-L438 PolarHBondContact O-N 3.09Å; G435-Q439 WeakPolarHBondContact O-CG 3.41Å; G435-Q439 PolarHBondContact O-N 3.23Å
436	E	95.6	Very high	94.9	Very high	120 Å²	120	47.8 Å²	47.8	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-60.4	-49.6	177.9	-69.9	172.5	-165.6	0	0	112.3	N432 L433 L438 Q439 V440	N432-E436 PolarHBondContact O-N 2.88Å; L433-E436 PolarHBondContact O-N 2.89Å; E436-L438 VanDerWaalsContact C-N 3.31Å; E436-L438 PolarHBondContact O-N 2.69Å; E436-Q439 PolarHBondContact O-N 3.02Å; E436-Q439 VanDerWaalsContact O-N 3.14Å; E436-V440 WeakPolarHBondContact O-CG2 3.46Å; E436-V440 PolarHBondContact O-N 3.42Å
437	K	95.9	Very high	94.5	Very high	50 Å²	50	51 Å²	51	22%	0.217	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-38.4	177.7	-60.5	-56.5	173.3	176.3	0	112	W270 D348 L349 L433 V440 F441	W270-K437 HydrophobicContact CH2-CB 3.85Å; W270-K437 HydrophobicContact CZ2-CB 3.96Å; D348-K437 VanDerWaalsContact CG-CE 3.49Å; D348-K437 VanDerWaalsContact CG-NZ 3.29Å; D348-K437 WeakPolarHBondContact OD1-CE 3.06Å; D348-K437 IonicContact OD1-NZ 2.67Å; D348-K437 PolarHBondContact OD1-NZ 3.3Å; D348-K437 VanDerWaalsContact OD1-NZ 3.17Å; D348-K437 WeakPolarHBondContact OD2-CE 3.38Å; D348-K437 IonicContact OD2-NZ 2.69Å; D348-K437 PolarHBondContact OD2-NZ 3.01Å; L349-K437 HydrophobicContact CB-CG 4.25Å; L349-K437 HydrophobicContact CD2-CB 4.23Å; L349-K437 HydrophobicContact CD2-CG 4.15Å; L433-K437 HydrophobicContact CD1-CG 4.48Å; L433-K437 WeakPolarHBondContact O-CG 3.38Å; L433-K437 PolarHBondContact O-N 2.99Å; K437-V440 PolarHBondContact O-N 2.68Å; K437-F441 WeakPolarHBondContact O-CB 3.17Å; K437-F441 PolarHBondContact O-N 2.82Å
438	L	95.1	Very high	94.1	Very high	7 Å²	7	53 Å²	53	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-39.9	174.3	178	62.9	0	0	0	111.9	W270 H434 G435 E436 F441 K442 F453 Y457 F461	W270-L438 HydrophobicContact CZ3-CB 4.35Å; W270-L438 HydrophobicContact CZ3-CD1 4.23Å; H434-L438 VanDerWaalsContact O-CB 3.27Å; H434-L438 WeakPolarHBondContact O-CB 3.45Å; H434-L438 PolarHBondContact O-N 2.84Å; G435-L438 PolarHBondContact O-N 3.09Å; E436-L438 VanDerWaalsContact C-N 3.31Å; E436-L438 PolarHBondContact O-N 2.69Å; L438-F441 PolarHBondContact O-N 2.84Å; L438-K442 WeakPolarHBondContact O-CB 3.43Å; L438-K442 PolarHBondContact O-N 2.82Å; L438-F453 HydrophobicContact CD1-CE2 3.78Å; L438-Y457 HydrophobicContact CD1-CE1 4.03Å; L438-Y457 HydrophobicContact CD2-CE1 3.81Å; L438-F461 HydrophobicContact CD2-CB 3.55Å; L438-F461 HydrophobicContact CD2-CG 4.39Å
439	Q	93.7	Very high	93.7	Very high	61 Å²	61	51 Å²	51	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-65.1	-44.1	175.1	-65.7	-54.4	-29.6	0	0	111.8	G435 E436 F441 K442 Q443	G435-Q439 WeakPolarHBondContact O-CG 3.41Å; G435-Q439 PolarHBondContact O-N 3.23Å; E436-Q439 PolarHBondContact O-N 3.02Å; E436-Q439 VanDerWaalsContact O-N 3.14Å; Q439-F441 VanDerWaalsContact C-N 3.34Å; Q439-F441 PolarHBondContact O-N 2.9Å; Q439-K442 PolarHBondContact O-N 3.11Å; Q439-Q443 VanDerWaalsContact O-CG 3.31Å; Q439-Q443 WeakPolarHBondContact O-CG 3.2Å; Q439-Q443 PolarHBondContact O-N 2.95Å
440	V	93.6	Very high	93.2	Very high	80 Å²	80	52.1 Å²	52.1	49%	0.485	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-42.4	175.9	174.2	0	0	0	0	111.4	E436 K437 Q443 S444	E436-V440 WeakPolarHBondContact O-CG2 3.46Å; E436-V440 PolarHBondContact O-N 3.42Å; K437-V440 PolarHBondContact O-N 2.68Å; V440-Q443 PolarHBondContact O-N 3.24Å; V440-S444 PolarHBondContact O-N 2.99Å; V440-S444 PolarHBondContact O-OG 2.88Å
441	F	93.8	Very high	92.7	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-44.4	174.6	178.9	-93.9	0	0	0	111.9	R266 E267 W270 K437 L438 Q439 Q443 S444 H445 I448 V449 F453	R266-F441 HydrophobicContact CG-CD2 4.27Å; R266-F441 HydrophobicContact CG-CE2 4.15Å; E267-F441 HydrophobicContact CB-CZ 4.27Å; E267-F441 HydrophobicContact CG-CE2 4.41Å; E267-F441 HydrophobicContact CG-CZ 4.35Å; W270-F441 HydrophobicContact CB-CD1 4.49Å; W270-F441 HydrophobicContact CB-CD2 4.26Å; W270-F441 HydrophobicContact CB-CE1 4.11Å; W270-F441 HydrophobicContact CB-CE2 3.84Å; W270-F441 HydrophobicContact CB-CZ 3.78Å; W270-F441 AromaticContact CD1-CD2 3.49Å; W270-F441 VanDerWaalsContact CD1-CD2 3.49Å; W270-F441 AromaticContact CD1-CE2 3.66Å; W270-F441 HydrophobicContact CD2-CB 4.4Å; W270-F441 HydrophobicContact CD2-CD1 4.38Å; W270-F441 HydrophobicContact CD2-CD2 4.13Å; W270-F441 HydrophobicContact CD2-CG 4.03Å; W270-F441 HydrophobicContact CG-CD1 4.33Å; W270-F441 AromaticContact CG-CD2 3.69Å; W270-F441 HydrophobicContact CG-CD2 3.69Å; W270-F441 HydrophobicContact CG-CE1 4.39Å; W270-F441 AromaticContact CG-CE2 3.75Å; W270-F441 HydrophobicContact CG-CE2 3.75Å; W270-F441 HydrophobicContact CG-CG 4.01Å; W270-F441 HydrophobicContact CG-CZ 4.13Å; W270-F441 HydrophobicContact CZ2-CB 4.45Å; W270-F441 AromaticContact NE1-CD2 3.8Å; K437-F441 WeakPolarHBondContact O-CB 3.17Å; K437-F441 PolarHBondContact O-N 2.82Å; L438-F441 PolarHBondContact O-N 2.84Å; Q439-F441 VanDerWaalsContact C-N 3.34Å; Q439-F441 PolarHBondContact O-N 2.9Å; F441-Q443 VanDerWaalsContact C-N 3.35Å; F441-Q443 PolarHBondContact O-N 3.22Å; F441-S444 WeakPolarHBondContact O-CB 3.35Å; F441-S444 PolarHBondContact O-N 2.89Å; F441-S444 VanDerWaalsContact O-N 3.13Å; F441-H445 AromaticContact CD2-ND1 3.61Å; F441-H445 HydrophobicContact CE1-CB 4.23Å; F441-H445 HydrophobicContact CE2-CB 4.45Å; F441-H445 AromaticContact CE2-CE1 3.92Å; F441-H445 AromaticContact CE2-ND1 3.12Å; F441-H445 WeakPolarHBondContact CE2-ND1 3.4Å; F441-H445 HydrophobicContact CZ-CB 4.02Å; F441-H445 AromaticContact CZ-ND1 3.54Å; F441-H445 PolarHBondContact O-N 2.95Å; F441-I448 HydrophobicContact CE1-CG2 4.27Å; F441-I448 HydrophobicContact CZ-CG2 4.13Å; F441-V449 HydrophobicContact CD1-CG2 3.67Å; F441-V449 HydrophobicContact CE1-CG2 3.62Å; F441-F453 HydrophobicContact CD1-CZ 4.09Å; F441-F453 HydrophobicContact CE1-CE1 4.02Å; F441-F453 AromaticContact CE1-CZ 3.64Å; F441-F453 HydrophobicContact CE1-CZ 3.64Å
442	K	92.1	Very high	92.4	Very high	30 Å²	30	59.6 Å²	59.6	13%	0.13	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-37.4	177.6	-178.9	-173.2	167.8	-164.7	0	112.6	L438 Q439 S444 H445 P446 V449 N462 D464	L438-K442 WeakPolarHBondContact O-CB 3.43Å; L438-K442 PolarHBondContact O-N 2.82Å; Q439-K442 PolarHBondContact O-N 3.11Å; K442-S444 VanDerWaalsContact C-N 3.3Å; K442-S444 PolarHBondContact O-N 3.01Å; K442-H445 CarbonylContact O-C 3.56Å; K442-H445 PolarHBondContact O-N 2.67Å; K442-P446 WeakPolarHBondContact O-CA 3.43Å; K442-P446 WeakPolarHBondContact O-CD 3.42Å; K442-P446 VanDerWaalsContact O-N 3.09Å; K442-V449 HydrophobicContact CB-CG2 4.08Å; K442-V449 HydrophobicContact CG-CB 4.39Å; K442-V449 HydrophobicContact CG-CG1 4.36Å; K442-V449 HydrophobicContact CG-CG2 4.33Å; K442-N462 PolarHBondContact NZ-OD1 3.23Å; K442-D464 IonicContact NZ-OD2 2.89Å; K442-D464 PolarHBondContact NZ-OD2 3.06Å
443	Q	92.3	Very high	92.3	Very high	154 Å²	154	55.2 Å²	55.2	72%	0.72	30%	0.298	S	S	*	.	H	α-helix	trans	-63.7	-36.1	173.9	-73	169.7	11.4	0	0	112.1	Q439 V440 F441	Q439-Q443 VanDerWaalsContact O-CG 3.31Å; Q439-Q443 WeakPolarHBondContact O-CG 3.2Å; Q439-Q443 PolarHBondContact O-N 2.95Å; V440-Q443 PolarHBondContact O-N 3.24Å; F441-Q443 VanDerWaalsContact C-N 3.35Å; F441-Q443 PolarHBondContact O-N 3.22Å
444	S	92	Very high	92.2	Very high	59 Å²	59	54.8 Å²	54.8	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-75.5	-38.2	175.8	-56	0	0	0	0	112.7	R266 V440 F441 K442	R266-S444 PolarHBondContact NH2-OG 3.32Å; V440-S444 PolarHBondContact O-N 2.99Å; V440-S444 PolarHBondContact O-OG 2.88Å; F441-S444 WeakPolarHBondContact O-CB 3.35Å; F441-S444 PolarHBondContact O-N 2.89Å; F441-S444 VanDerWaalsContact O-N 3.13Å; K442-S444 VanDerWaalsContact C-N 3.3Å; K442-S444 PolarHBondContact O-N 3.01Å
445	H	90.8	Very high	92	Very high	42 Å²	42	59 Å²	59	19%	0.194	33%	0.326	C	S	.	.			trans	-137.2	61.4	-167.8	-51.1	131.6	0	0	0	113	R266 E267 F441 K442 D447 I448 V449	R266-H445 PolarHBondContact NH2-CE1 2.91Å; E267-H445 IonicContact OE1-CE1 3.17Å; E267-H445 PolarHBondContact OE1-CE1 3.23Å; E267-H445 IonicContact OE1-ND1 3.76Å; E267-H445 IonicContact OE1-NE2 2.64Å; E267-H445 PolarHBondContact OE1-NE2 3.03Å; F441-H445 AromaticContact CD2-ND1 3.61Å; F441-H445 HydrophobicContact CE1-CB 4.23Å; F441-H445 HydrophobicContact CE2-CB 4.45Å; F441-H445 AromaticContact CE2-CE1 3.92Å; F441-H445 AromaticContact CE2-ND1 3.12Å; F441-H445 WeakPolarHBondContact CE2-ND1 3.4Å; F441-H445 HydrophobicContact CZ-CB 4.02Å; F441-H445 AromaticContact CZ-ND1 3.54Å; F441-H445 PolarHBondContact O-N 2.95Å; K442-H445 CarbonylContact O-C 3.56Å; K442-H445 PolarHBondContact O-N 2.67Å; H445-D447 VanDerWaalsContact C-N 3.32Å; H445-D447 PolarHBondContact O-N 3.14Å; H445-I448 HydrophobicContact CB-CB 4.04Å; H445-I448 HydrophobicContact CB-CG1 3.97Å; H445-I448 PolarHBondContact O-N 2.76Å; H445-V449 PolarHBondContact O-N 2.82Å
446	P	88.9	Confident	91.9	Very high	57 Å²	57	60 Å²	60	37%	0.37	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-38.9	-174.2	24.5	-34.1	0	0	0	112.4	K442 I448 V449 N450	K442-P446 WeakPolarHBondContact O-CA 3.43Å; K442-P446 WeakPolarHBondContact O-CD 3.42Å; K442-P446 VanDerWaalsContact O-N 3.09Å; P446-I448 PolarHBondContact O-N 3.33Å; P446-V449 PolarHBondContact O-N 3.43Å; P446-N450 WeakPolarHBondContact O-CB 3.4Å; P446-N450 VanDerWaalsContact O-CG 3.27Å; P446-N450 PolarHBondContact O-N 2.89Å; P446-N450 PolarHBondContact O-ND2 3.36Å; P446-N450 VanDerWaalsContact O-ND2 3.14Å
447	D	89.1	Confident	91.9	Very high	119 Å²	119	54.4 Å²	54.4	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-66	-37.7	-179.7	-64.2	-38.6	0	0	0	112.6	H445 N450 T451	H445-D447 VanDerWaalsContact C-N 3.32Å; H445-D447 PolarHBondContact O-N 3.14Å; D447-N450 PolarHBondContact O-N 2.83Å; D447-T451 WeakPolarHBondContact O-CB 3.37Å; D447-T451 WeakPolarHBondContact O-CG2 3.49Å; D447-T451 PolarHBondContact O-N 2.86Å; D447-T451 PolarHBondContact O-OG1 3.48Å
448	I	88.6	Confident	91.8	Very high	43 Å²	43	54.2 Å²	54.2	22%	0.221	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-48.8	176.4	-60.9	-62.2	0	0	0	110.1	E267 F441 H445 P446 N450 L452 F453	E267-I448 HydrophobicContact CB-CG1 4.33Å; E267-I448 HydrophobicContact CB-CG2 4.23Å; E267-I448 HydrophobicContact CG-CG1 4.25Å; F441-I448 HydrophobicContact CE1-CG2 4.27Å; F441-I448 HydrophobicContact CZ-CG2 4.13Å; H445-I448 HydrophobicContact CB-CB 4.04Å; H445-I448 HydrophobicContact CB-CG1 3.97Å; H445-I448 PolarHBondContact O-N 2.76Å; P446-I448 PolarHBondContact O-N 3.33Å; I448-N450 VanDerWaalsContact C-N 3.33Å; I448-N450 PolarHBondContact O-N 3.26Å; I448-L452 HydrophobicContact CD1-CD1 3.85Å; I448-L452 HydrophobicContact CG2-CB 4.46Å; I448-L452 HydrophobicContact CG2-CD1 4.34Å; I448-L452 WeakPolarHBondContact O-CA 3.42Å; I448-L452 WeakPolarHBondContact O-CB 3.29Å; I448-L452 PolarHBondContact O-N 3.37Å; I448-F453 HydrophobicContact CG2-CD1 4.47Å; I448-F453 HydrophobicContact CG2-CE1 4.07Å; I448-F453 PolarHBondContact O-N 3.29Å
449	V	87.6	Confident	91.6	Very high	6 Å²	6	59 Å²	59	4%	0.036	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-42.6	177.6	178.7	0	0	0	0	110.3	F441 K442 H445 P446 F453 K458	F441-V449 HydrophobicContact CD1-CG2 3.67Å; F441-V449 HydrophobicContact CE1-CG2 3.62Å; K442-V449 HydrophobicContact CB-CG2 4.08Å; K442-V449 HydrophobicContact CG-CB 4.39Å; K442-V449 HydrophobicContact CG-CG1 4.36Å; K442-V449 HydrophobicContact CG-CG2 4.33Å; H445-V449 PolarHBondContact O-N 2.82Å; P446-V449 PolarHBondContact O-N 3.43Å; V449-F453 HydrophobicContact CG1-CD2 4.09Å; V449-F453 HydrophobicContact CG1-CE2 4.44Å; V449-F453 HydrophobicContact CG1-CG 4.49Å; V449-F453 HydrophobicContact CG2-CD2 4.45Å; V449-F453 HydrophobicContact CG2-CE1 4.46Å; V449-F453 HydrophobicContact CG2-CE2 4.11Å; V449-F453 HydrophobicContact CG2-CZ 4.11Å; V449-F453 WeakPolarHBondContact O-CB 3.38Å; V449-K458 WeakPolarHBondContact O-CD 3.39Å
450	N	86.6	Confident	91.4	Very high	78 Å²	78	57.3 Å²	57.3	42%	0.417	31%	0.313	S	S	.	.	H	α-helix	trans	-72.5	-38.8	-177.2	-72.5	-32.9	0	0	0	113.5	P446 D447 I448 K458	P446-N450 WeakPolarHBondContact O-CB 3.4Å; P446-N450 VanDerWaalsContact O-CG 3.27Å; P446-N450 PolarHBondContact O-N 2.89Å; P446-N450 PolarHBondContact O-ND2 3.36Å; P446-N450 VanDerWaalsContact O-ND2 3.14Å; D447-N450 PolarHBondContact O-N 2.83Å; I448-N450 VanDerWaalsContact C-N 3.33Å; I448-N450 PolarHBondContact O-N 3.26Å; N450-K458 PolarHBondContact O-NZ 3.24Å
451	T	88	Confident	91.2	Very high	99 Å²	99	55.2 Å²	55.2	61%	0.607	30%	0.297	S	S	*	.	H	α-helix	trans	-94.9	-43.5	-173.7	62.1	0	0	0	0	113.9	D447	D447-T451 WeakPolarHBondContact O-CB 3.37Å; D447-T451 WeakPolarHBondContact O-CG2 3.49Å; D447-T451 PolarHBondContact O-N 2.86Å; D447-T451 PolarHBondContact O-OG1 3.48Å
452	L	90.9	Very high	90.3	Very high	78 Å²	78	56 Å²	56	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-97.9	-22.4	-168.2	-59.2	-170.4	0	0	0	114.3	Q271 I448	Q271-L452 HydrophobicContact CG-CB 4.19Å; Q271-L452 PolarHBondContact NE2-O 2.87Å; I448-L452 HydrophobicContact CD1-CD1 3.85Å; I448-L452 HydrophobicContact CG2-CB 4.46Å; I448-L452 HydrophobicContact CG2-CD1 4.34Å; I448-L452 WeakPolarHBondContact O-CA 3.42Å; I448-L452 WeakPolarHBondContact O-CB 3.29Å; I448-L452 PolarHBondContact O-N 3.37Å
453	F	94.4	Very high	88.6	Confident	3 Å²	3	58.4 Å²	58.4	1%	0.013	32%	0.32	C	S	.	.	S	Bend	trans	-76.2	144	178.9	-76	25.2	0	0	0	111.4	W270 Q271 A274 L438 F441 I448 V449 Y457 K458	W270-F453 HydrophobicContact CB-CZ 4.14Å; W270-F453 HydrophobicContact CE3-CZ 4.49Å; Q271-F453 HydrophobicContact CB-CD1 4.36Å; Q271-F453 HydrophobicContact CB-CE1 4.13Å; Q271-F453 HydrophobicContact CG-CD1 4.44Å; A274-F453 HydrophobicContact CB-CD1 4.46Å; A274-F453 HydrophobicContact CB-CD2 3.86Å; A274-F453 HydrophobicContact CB-CE2 3.95Å; A274-F453 HydrophobicContact CB-CG 4.11Å; A274-F453 HydrophobicContact CB-CZ 4.31Å; L438-F453 HydrophobicContact CD1-CE2 3.78Å; F441-F453 HydrophobicContact CD1-CZ 4.09Å; F441-F453 HydrophobicContact CE1-CE1 4.02Å; F441-F453 AromaticContact CE1-CZ 3.64Å; F441-F453 HydrophobicContact CE1-CZ 3.64Å; I448-F453 HydrophobicContact CG2-CD1 4.47Å; I448-F453 HydrophobicContact CG2-CE1 4.07Å; I448-F453 PolarHBondContact O-N 3.29Å; V449-F453 HydrophobicContact CG1-CD2 4.09Å; V449-F453 HydrophobicContact CG1-CE2 4.44Å; V449-F453 HydrophobicContact CG1-CG 4.49Å; V449-F453 HydrophobicContact CG2-CD2 4.45Å; V449-F453 HydrophobicContact CG2-CE1 4.46Å; V449-F453 HydrophobicContact CG2-CE2 4.11Å; V449-F453 HydrophobicContact CG2-CZ 4.11Å; V449-F453 WeakPolarHBondContact O-CB 3.38Å; F453-Y457 AromaticContact CD2-CD1 3.65Å; F453-Y457 HydrophobicContact CD2-CD1 3.65Å; F453-Y457 AromaticContact CD2-CE1 3.6Å; F453-Y457 HydrophobicContact CD2-CE1 3.6Å; F453-Y457 HydrophobicContact CE2-CD1 4.31Å; F453-Y457 AromaticContact CE2-CE1 3.79Å; F453-Y457 HydrophobicContact CE2-CE1 3.79Å; F453-K458 HydrophobicContact CB-CD 4.16Å; F453-K458 HydrophobicContact CB-CG 4.03Å; F453-K458 VanDerWaalsContact O-CE 3.27Å; F453-K458 WeakPolarHBondContact O-CE 3.17Å; F453-K458 PolarHBondContact O-NZ 3Å
454	P	95.9	Very high	86.5	Confident	22 Å²	22	55.2 Å²	55.2	14%	0.143	31%	0.308	C	S	.	.			trans	-57.3	142.4	-179.5	-26.6	35.8	0	0	0	113.2	I275 T278 L456 Y457 K458	I275-P454 HydrophobicContact CG1-CG 3.82Å; T278-P454 HydrophobicContact CG2-CB 3.8Å; T278-P454 HydrophobicContact CG2-CG 4.36Å; T278-P454 WeakPolarHBondContact OG1-CB 3.49Å; T278-P454 WeakPolarHBondContact OG1-CG 3.46Å; P454-L456 VanDerWaalsContact C-N 3.31Å; P454-L456 PolarHBondContact O-N 2.68Å; P454-Y457 WeakPolarHBondContact O-CB 3.48Å; P454-Y457 PolarHBondContact O-N 2.88Å; P454-Y457 VanDerWaalsContact O-N 3.16Å; P454-K458 PolarHBondContact O-N 3.33Å; P454-K458 VanDerWaalsContact O-N 3.14Å
455	P	92.7	Very high	84	Confident	102 Å²	102	56.8 Å²	56.8	66%	0.662	32%	0.318	S	S	*	.	H	α-helix	trans	-53.5	-42.9	-179	-28.9	36	0	0	0	114.4	K458 E459	P455-K458 PolarHBondContact O-N 3.46Å; P455-E459 PolarHBondContact O-N 3.19Å
456	L	93.3	Very high	81.3	Confident	47 Å²	47	59.2 Å²	59.2	25%	0.246	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-40	179.9	179.6	60.8	0	0	0	112.5	T278 I281 Q282 P454 K458 E459 L460	T278-L456 HydrophobicContact CG2-CB 4.1Å; T278-L456 HydrophobicContact CG2-CD2 4.24Å; I281-L456 HydrophobicContact CG2-CD2 3.87Å; I281-L456 HydrophobicContact CG2-CG 4.23Å; Q282-L456 HydrophobicContact CG-CD2 3.75Å; P454-L456 VanDerWaalsContact C-N 3.31Å; P454-L456 PolarHBondContact O-N 2.68Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.82Å; L456-E459 PolarHBondContact O-N 3.28Å; L456-L460 HydrophobicContact CD1-CD1 3.91Å; L456-L460 HydrophobicContact CD1-CG 4.17Å; L456-L460 HydrophobicContact CG-CD1 3.99Å; L456-L460 VanDerWaalsContact O-CG 3.29Å; L456-L460 WeakPolarHBondContact O-CG 3.44Å; L456-L460 PolarHBondContact O-N 3.41Å; L456-L460 VanDerWaalsContact O-N 3.12Å
457	Y	95	Very high	78.6	Confident	3 Å²	3	60.1 Å²	60.1	1%	0.012	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-44.3	174.4	-171.5	-84.1	0	0	0	110.9	A274 I277 T278 H434 L438 F453 P454 L460 F461	A274-Y457 HydrophobicContact CB-CD1 4.2Å; A274-Y457 HydrophobicContact CB-CD2 3.93Å; A274-Y457 HydrophobicContact CB-CE1 4.16Å; A274-Y457 HydrophobicContact CB-CE2 3.91Å; A274-Y457 HydrophobicContact CB-CG 4.09Å; I277-Y457 HydrophobicContact CB-CD2 4.36Å; I277-Y457 HydrophobicContact CB-CE2 4.19Å; I277-Y457 HydrophobicContact CD1-CE2 4.26Å; I277-Y457 HydrophobicContact CG2-CD2 4.05Å; I277-Y457 HydrophobicContact CG2-CE2 3.92Å; T278-Y457 WeakPolarHBondContact OG1-CB 3.45Å; H434-Y457 AromaticContact CE1-CZ 3.95Å; H434-Y457 PolarHBondContact CE1-OH 3.2Å; H434-Y457 AromaticContact NE2-CZ 3.81Å; H434-Y457 PolarHBondContact NE2-OH 3.48Å; L438-Y457 HydrophobicContact CD1-CE1 4.03Å; L438-Y457 HydrophobicContact CD2-CE1 3.81Å; F453-Y457 AromaticContact CD2-CD1 3.65Å; F453-Y457 HydrophobicContact CD2-CD1 3.65Å; F453-Y457 AromaticContact CD2-CE1 3.6Å; F453-Y457 HydrophobicContact CD2-CE1 3.6Å; F453-Y457 HydrophobicContact CE2-CD1 4.31Å; F453-Y457 AromaticContact CE2-CE1 3.79Å; F453-Y457 HydrophobicContact CE2-CE1 3.79Å; P454-Y457 WeakPolarHBondContact O-CB 3.48Å; P454-Y457 PolarHBondContact O-N 2.88Å; P454-Y457 VanDerWaalsContact O-N 3.16Å; Y457-L460 PolarHBondContact O-N 3.16Å; Y457-F461 AromaticContact CD1-CD2 3.85Å; Y457-F461 HydrophobicContact CD1-CD2 3.85Å; Y457-F461 AromaticContact CD2-CD2 3.59Å; Y457-F461 HydrophobicContact CD2-CD2 3.59Å; Y457-F461 AromaticContact CD2-CE2 3.58Å; Y457-F461 HydrophobicContact CD2-CE2 3.58Å; Y457-F461 HydrophobicContact CE1-CB 4.39Å; Y457-F461 AromaticContact CE1-CD2 3.84Å; Y457-F461 HydrophobicContact CE1-CD2 3.84Å; Y457-F461 HydrophobicContact CE1-CG 4.49Å; Y457-F461 AromaticContact CE2-CD2 3.56Å; Y457-F461 HydrophobicContact CE2-CD2 3.56Å; Y457-F461 AromaticContact CE2-CE2 3.58Å; Y457-F461 HydrophobicContact CE2-CE2 3.58Å; Y457-F461 AromaticContact CG-CD2 3.73Å; Y457-F461 HydrophobicContact CG-CD2 3.73Å; Y457-F461 HydrophobicContact CG-CE2 4.15Å; Y457-F461 AromaticContact CZ-CD2 3.7Å; Y457-F461 VanDerWaalsContact O-CD2 3.27Å; Y457-F461 WeakPolarHBondContact O-CD2 3.47Å; Y457-F461 PolarHBondContact O-N 3.31Å
458	K	92.5	Very high	75.7	Confident	45 Å²	45	60.6 Å²	60.6	20%	0.196	36%	0.364	C	S	.	.	H	α-helix	trans	-63.2	-42.2	176.4	-62.9	-178.9	-57.2	-152.4	0	111.7	V449 N450 F453 P454 P455 L456 L460 N462	V449-K458 WeakPolarHBondContact O-CD 3.39Å; N450-K458 PolarHBondContact O-NZ 3.24Å; F453-K458 HydrophobicContact CB-CD 4.16Å; F453-K458 HydrophobicContact CB-CG 4.03Å; F453-K458 VanDerWaalsContact O-CE 3.27Å; F453-K458 WeakPolarHBondContact O-CE 3.17Å; F453-K458 PolarHBondContact O-NZ 3Å; P454-K458 PolarHBondContact O-N 3.33Å; P454-K458 VanDerWaalsContact O-N 3.14Å; P455-K458 PolarHBondContact O-N 3.46Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.82Å; K458-L460 VanDerWaalsContact C-N 3.29Å; K458-L460 PolarHBondContact O-N 2.97Å; K458-N462 WeakPolarHBondContact O-CA 3.5Å; K458-N462 WeakPolarHBondContact O-CB 3.39Å; K458-N462 PolarHBondContact O-N 3.49Å
459	E	91.2	Very high	72.9	Confident	108 Å²	108	64.7 Å²	64.7	51%	0.505	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-32.4	-180	-170.8	179.7	163.9	0	0	113.5	K307 P455 L456	K307-E459 PolarHBondContact NZ-O 2.99Å; P455-E459 PolarHBondContact O-N 3.19Å; L456-E459 PolarHBondContact O-N 3.28Å
460	L	90.5	Very high	70.1	Confident	26 Å²	26	77.6 Å²	77.6	14%	0.136	45%	0.451	C	S	.	.	H	α-helix	trans	-84.8	-43.3	-179.6	-63.4	169.4	0	0	0	112.5	I281 K307 L456 Y457 K458	I281-L460 HydrophobicContact CD1-CD1 3.84Å; I281-L460 HydrophobicContact CG2-CD1 3.41Å; I281-L460 VanDerWaalsContact CG2-CD1 3.41Å; K307-L460 HydrophobicContact CB-CD2 4.48Å; K307-L460 HydrophobicContact CG-CD2 3.86Å; L456-L460 HydrophobicContact CD1-CD1 3.91Å; L456-L460 HydrophobicContact CD1-CG 4.17Å; L456-L460 HydrophobicContact CG-CD1 3.99Å; L456-L460 VanDerWaalsContact O-CG 3.29Å; L456-L460 WeakPolarHBondContact O-CG 3.44Å; L456-L460 PolarHBondContact O-N 3.41Å; L456-L460 VanDerWaalsContact O-N 3.12Å; Y457-L460 PolarHBondContact O-N 3.16Å; K458-L460 VanDerWaalsContact C-N 3.29Å; K458-L460 PolarHBondContact O-N 2.97Å
461	F	88.9	Confident	69.3	Low	35 Å²	35	77.6 Å²	77.6	15%	0.154	45%	0.453	C	S	.	.	H	α-helix	trans	-106.6	-7.1	-170.8	-55.1	-65.1	0	0	0	115.4	I277 I281 L311 L438 Y457	I277-F461 HydrophobicContact CG2-CE2 4.23Å; I281-F461 HydrophobicContact CD1-CE2 3.69Å; I281-F461 HydrophobicContact CD1-CZ 3.8Å; L311-F461 HydrophobicContact CB-CE1 3.91Å; L311-F461 HydrophobicContact CB-CZ 3.94Å; L311-F461 HydrophobicContact CD1-CZ 4.33Å; L311-F461 HydrophobicContact CD2-CE1 3.91Å; L311-F461 HydrophobicContact CD2-CZ 4.23Å; L311-F461 HydrophobicContact CG-CE1 4.43Å; L311-F461 HydrophobicContact CG-CZ 4.41Å; L438-F461 HydrophobicContact CD2-CB 3.55Å; L438-F461 HydrophobicContact CD2-CG 4.39Å; Y457-F461 AromaticContact CD1-CD2 3.85Å; Y457-F461 HydrophobicContact CD1-CD2 3.85Å; Y457-F461 AromaticContact CD2-CD2 3.59Å; Y457-F461 HydrophobicContact CD2-CD2 3.59Å; Y457-F461 AromaticContact CD2-CE2 3.58Å; Y457-F461 HydrophobicContact CD2-CE2 3.58Å; Y457-F461 HydrophobicContact CE1-CB 4.39Å; Y457-F461 AromaticContact CE1-CD2 3.84Å; Y457-F461 HydrophobicContact CE1-CD2 3.84Å; Y457-F461 HydrophobicContact CE1-CG 4.49Å; Y457-F461 AromaticContact CE2-CD2 3.56Å; Y457-F461 HydrophobicContact CE2-CD2 3.56Å; Y457-F461 AromaticContact CE2-CE2 3.58Å; Y457-F461 HydrophobicContact CE2-CE2 3.58Å; Y457-F461 AromaticContact CG-CD2 3.73Å; Y457-F461 HydrophobicContact CG-CD2 3.73Å; Y457-F461 HydrophobicContact CG-CE2 4.15Å; Y457-F461 AromaticContact CZ-CD2 3.7Å; Y457-F461 VanDerWaalsContact O-CD2 3.27Å; Y457-F461 WeakPolarHBondContact O-CD2 3.47Å; Y457-F461 PolarHBondContact O-N 3.31Å
462	N	75.6	Confident	68.3	Low	20 Å²	20	76.4 Å²	76.4	11%	0.107	45%	0.445	C	S	.	.			trans	-100.5	110.9	176.4	-163.3	14.4	0	0	0	111.2	K442 K458 D464	K442-N462 PolarHBondContact NZ-OD1 3.23Å; K458-N462 WeakPolarHBondContact O-CA 3.5Å; K458-N462 WeakPolarHBondContact O-CB 3.39Å; K458-N462 PolarHBondContact O-N 3.49Å; N462-D464 VanDerWaalsContact C-N 3.26Å; N462-D464 PolarHBondContact O-N 3.06Å; N462-D464 PolarHBondContact OD1-OD2 3.39Å
463	P	56.4	Low	67	Low	81 Å²	81	76.3 Å²	76.3	53%	0.526	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-66.3	-25.2	-176.4	25.4	-34.2	0	0	0	113.9	C465 A466	P463-C465 PolarHBondContact O-N 3.33Å; P463-C465 VanDerWaalsContact O-N 3.12Å; P463-A466 PolarHBondContact O-N 3.37Å
464	D	48.7	Very low	65.4	Low	86 Å²	86	80.6 Å²	80.6	46%	0.46	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-65.6	-20.7	-169	-56.2	-24.3	0	0	0	114.4	K442 N462 A466 A467	K442-D464 IonicContact NZ-OD2 2.89Å; K442-D464 PolarHBondContact NZ-OD2 3.06Å; N462-D464 VanDerWaalsContact C-N 3.26Å; N462-D464 PolarHBondContact O-N 3.06Å; N462-D464 PolarHBondContact OD1-OD2 3.39Å; D464-A466 PolarHBondContact O-N 2.99Å; D464-A466 VanDerWaalsContact O-N 3.17Å; D464-A467 PolarHBondContact O-N 3.4Å
465	C	38.6	Very low	63.5	Low	92 Å²	92	84.3 Å²	84.3	62%	0.622	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-65.7	-15.2	178.1	-88.1	0	0	0	0	114	P463	P463-C465 PolarHBondContact O-N 3.33Å; P463-C465 VanDerWaalsContact O-N 3.12Å
466	A	34.5	Very low	61.5	Low	93 Å²	93	83.1 Å²	83.1	77%	0.769	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-85.7	-11.9	177.3	0	0	0	0	0	113.9	P463 D464	P463-A466 PolarHBondContact O-N 3.37Å; D464-A466 PolarHBondContact O-N 2.99Å; D464-A466 VanDerWaalsContact O-N 3.17Å
467	A	31.7	Very low	59.3	Low	76 Å²	76	85.7 Å²	85.7	63%	0.628	50%	0.498	S	S	*	.	S	Bend	trans	-99.5	-6	-167.2	0	0	0	0	0	115.6	D464	D464-A467 PolarHBondContact O-N 3.4Å
468	V	28.3	Very low	56.5	Low	129 Å²	129	92.1 Å²	92.1	78%	0.782	54%	0.535	S	S	*	.	S	Bend	trans	-99.7	3.3	-168.8	-169.3	0	0	0	0	113.7
469	C	29.1	Very low	53.5	Low	130 Å²	130	96 Å²	96	88%	0.878	56%	0.564	S	S	*	*			trans	-105	84	167.7	-74	0	0	0	0	110.7
470	K	29.1	Very low	50.1	Low	276 Å²	276	94.9 Å²	94.9	100%	1.2	57%	0.569	S	S	*	*			trans	-121.9	0	159.2	-82.1	-170.4	175.3	-179.3	0	109.1

Retrieved 470 of 470 residues in 151.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).