A0A077Z1H5_TRITR Loading...

DNA polymerase

AlphaFold DB , UniProt , Accession A0A077Z1H5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 569 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	34.2	Very low	165 Å²	165	95.6 Å²	95.6	81%	0.813	49%	0.486	S	S	*	.				0	-55.1	0	-153.6	176.1	-170.1	0	0	112.6	L3 C4 R5	M1-L3 PolarHBondContact O-N 2.93Å; M1-C4 PolarHBondContact O-N 3.01Å; M1-R5 PolarHBondContact O-N 3.02Å
2	L	28.5	Very low	34.6	Very low	123 Å²	123	90 Å²	90	64%	0.644	46%	0.46	S	S	*	.	H	α-helix	trans	-52.6	-49.2	175.1	-82.1	161.2	0	0	0	113	C4 R5 N6 L11	L2-C4 PolarHBondContact O-N 3.32Å; L2-R5 PolarHBondContact O-N 3.22Å; L2-N6 PolarHBondContact O-N 2.61Å; L2-L11 HydrophobicContact CB-CD1 3.88Å; L2-L11 WeakPolarHBondContact O-CD1 3.34Å
3	L	31.5	Very low	35	Very low	62 Å²	62	84.8 Å²	84.8	33%	0.325	44%	0.442	S	S	.	.	H	α-helix	trans	-50.2	-23.8	172.9	-78.4	164.3	0	0	0	115.8	M1 P8 V12 L62	M1-L3 PolarHBondContact O-N 2.93Å; L3-P8 HydrophobicContact CD2-CB 3.99Å; L3-V12 HydrophobicContact CD2-CG2 3.31Å; L3-L62 HydrophobicContact CD2-CD2 4.15Å
4	C	33.8	Very low	36	Very low	102 Å²	102	89.7 Å²	89.7	69%	0.689	45%	0.454	S	S	*	.	H	α-helix	trans	-99.9	-13.5	-177	-49	0	0	0	0	112.7	M1 L2	M1-C4 PolarHBondContact O-N 3.01Å; L2-C4 PolarHBondContact O-N 3.32Å
5	R	32.2	Very low	36.7	Very low	195 Å²	195	86.9 Å²	86.9	74%	0.736	44%	0.438	S	S	*	.	H	α-helix	trans	-106.9	-34	-177.9	-79	-172.8	170.2	179.9	-3.5	113	M1 L2	M1-R5 PolarHBondContact O-N 3.02Å; L2-R5 PolarHBondContact O-N 3.22Å
6	N	38.5	Very low	37.6	Very low	81 Å²	81	84.1 Å²	84.1	43%	0.433	43%	0.425	S	S	.	.	S	Bend	trans	-109.8	155.3	176.4	-53.3	-27.7	0	0	0	109.3	L2 P8 L11	L2-N6 PolarHBondContact O-N 2.61Å; N6-P8 VanDerWaalsContact O-CD 3.25Å; N6-P8 WeakPolarHBondContact O-CD 2.88Å; N6-P8 VanDerWaalsContact O-N 3.16Å; N6-L11 HydrophobicContact CB-CD1 3.76Å; N6-L11 HydrophobicContact CB-CG 4.06Å
7	D	37.9	Very low	38.4	Very low	62 Å²	62	84.4 Å²	84.4	33%	0.332	42%	0.424	S	S	.	.			trans	-57.2	115.4	179.1	-166.8	12.9	0	0	0	110.7	D9 I10 L11 R66	D7-D9 PolarHBondContact O-N 2.81Å; D7-I10 HydrophobicContact CB-CB 4.43Å; D7-I10 HydrophobicContact CB-CD1 3.88Å; D7-I10 HydrophobicContact CB-CG1 3.98Å; D7-I10 WeakPolarHBondContact O-CA 3.4Å; D7-I10 VanDerWaalsContact O-CB 3.31Å; D7-I10 WeakPolarHBondContact O-CB 3.34Å; D7-I10 PolarHBondContact O-N 3.49Å; D7-L11 PolarHBondContact O-N 3.23Å; D7-R66 IonicContact OD1-CZ 3.61Å; D7-R66 IonicContact OD1-NH1 3.11Å; D7-R66 PolarHBondContact OD1-NH1 3.1Å; D7-R66 IonicContact OD1-NH2 3.87Å; D7-R66 PolarHBondContact OD1-NH2 3.09Å
8	P	37.5	Very low	38.4	Very low	9 Å²	9	81.8 Å²	81.8	6%	0.058	41%	0.411	C	S	.	.	H	α-helix	trans	-65.6	-17.6	-178	24.8	-34.8	0	0	0	113.3	L3 N6 I10 L11 V12 L62 R66	L3-P8 HydrophobicContact CD2-CB 3.99Å; N6-P8 VanDerWaalsContact O-CD 3.25Å; N6-P8 WeakPolarHBondContact O-CD 2.88Å; N6-P8 VanDerWaalsContact O-N 3.16Å; P8-I10 PolarHBondContact O-N 3.39Å; P8-L11 PolarHBondContact O-N 3.05Å; P8-V12 HydrophobicContact CB-CG2 4.23Å; P8-V12 WeakPolarHBondContact O-CB 3.42Å; P8-V12 PolarHBondContact O-N 3.16Å; P8-L62 HydrophobicContact CB-CD2 3.84Å; P8-L62 HydrophobicContact CG-CD2 4.4Å; P8-R66 VanDerWaalsContact CD-CZ 3.5Å
9	D	37.1	Very low	38.7	Very low	71 Å²	71	81.8 Å²	81.8	38%	0.38	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-27.4	167	-74.6	34.7	0	0	0	112.1	D7 R66	D7-D9 PolarHBondContact O-N 2.81Å; D9-R66 IonicContact OD1-CZ 2.67Å; D9-R66 IonicContact OD1-NH2 2.63Å; D9-R66 PolarHBondContact OD1-NH2 3.11Å
10	I	37.2	Very low	38.8	Very low	117 Å²	117	78.9 Å²	78.9	60%	0.6	40%	0.399	S	S	*	.	H	α-helix	trans	-87.1	-35.5	174.9	-59	177.3	0	0	0	111.1	D7 P8	D7-I10 HydrophobicContact CB-CB 4.43Å; D7-I10 HydrophobicContact CB-CD1 3.88Å; D7-I10 HydrophobicContact CB-CG1 3.98Å; D7-I10 WeakPolarHBondContact O-CA 3.4Å; D7-I10 VanDerWaalsContact O-CB 3.31Å; D7-I10 WeakPolarHBondContact O-CB 3.34Å; D7-I10 PolarHBondContact O-N 3.49Å; P8-I10 PolarHBondContact O-N 3.39Å
11	L	31.6	Very low	39.1	Very low	65 Å²	65	76.6 Å²	76.6	34%	0.34	39%	0.386	S	S	.	.	H	α-helix	trans	-89.5	-24.2	-174.4	-73.7	-178.4	0	0	0	115.9	L2 N6 D7 P8	L2-L11 HydrophobicContact CB-CD1 3.88Å; L2-L11 WeakPolarHBondContact O-CD1 3.34Å; N6-L11 HydrophobicContact CB-CD1 3.76Å; N6-L11 HydrophobicContact CB-CG 4.06Å; D7-L11 PolarHBondContact O-N 3.23Å; P8-L11 PolarHBondContact O-N 3.05Å
12	V	39.1	Very low	39.8	Very low	28 Å²	28	69.7 Å²	69.7	17%	0.17	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-21	-175.5	-169.4	0	0	0	0	111.6	L3 P8 E15 L16 L62	L3-V12 HydrophobicContact CD2-CG2 3.31Å; P8-V12 HydrophobicContact CB-CG2 4.23Å; P8-V12 WeakPolarHBondContact O-CB 3.42Å; P8-V12 PolarHBondContact O-N 3.16Å; V12-E15 VanDerWaalsContact O-O 3.13Å; V12-L16 HydrophobicContact CG1-CD1 3.95Å; V12-L16 HydrophobicContact CG1-CG 4.17Å; V12-L62 HydrophobicContact CG1-CD1 4.41Å; V12-L62 HydrophobicContact CG2-CD2 4.36Å
13	G	40.5	Very low	40.4	Very low	22 Å²	22	66.8 Å²	66.8	23%	0.227	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-146.4	-163.8	0	0	0	0	0	111.1
14	Y	48.5	Very low	41	Very low	154 Å²	154	66.9 Å²	66.9	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-3.3	-178.5	-74.4	-89.8	0	0	0	114.1
15	E	46.8	Very low	41.9	Very low	47 Å²	47	62.5 Å²	62.5	22%	0.22	31%	0.307	C	S	.	.	S	Bend	trans	-130.2	130.7	-179.7	-66.2	-68.6	122.1	0	0	108.4	V12 E17 R400	V12-E15 VanDerWaalsContact O-O 3.13Å; E15-E17 PolarHBondContact O-N 3.26Å; E15-R400 VanDerWaalsContact CD-NE 3.28Å; E15-R400 IonicContact OE1-CZ 3.37Å; E15-R400 IonicContact OE1-NE 3.28Å; E15-R400 PolarHBondContact OE1-NE 3.18Å; E15-R400 IonicContact OE1-NH1 2.69Å; E15-R400 IonicContact OE1-NH2 2.75Å; E15-R400 PolarHBondContact OE1-NH2 3.18Å; E15-R400 IonicContact OE2-CZ 3.99Å; E15-R400 IonicContact OE2-NE 3.34Å; E15-R400 PolarHBondContact OE2-NE 3.24Å; E15-R400 IonicContact OE2-NH2 3.22Å; E15-R400 PolarHBondContact OE2-NH2 2.76Å
16	L	51.3	Low	42.6	Very low	43 Å²	43	56.7 Å²	56.7	23%	0.225	29%	0.291	C	S	.	.	S	Bend	trans	-68.7	23.4	-179.9	-108.2	86.8	0	0	0	114.5	V12 R55 N59 L62	V12-L16 HydrophobicContact CG1-CD1 3.95Å; V12-L16 HydrophobicContact CG1-CG 4.17Å; L16-R55 PolarHBondContact O-NE 3.21Å; L16-R55 PolarHBondContact O-NH1 3.32Å; L16-R55 PolarHBondContact O-NH2 3.49Å; L16-N59 WeakPolarHBondContact CD1-OD1 3.45Å; L16-N59 WeakPolarHBondContact CD2-OD1 3.46Å; L16-L62 HydrophobicContact CD1-CD1 3.8Å
17	E	50.6	Low	42.7	Very low	88 Å²	88	58 Å²	58	41%	0.411	29%	0.29	S	S	.	.			trans	80.7	129.2	-170.5	-21.7	106.6	-155.5	0	0	117.2	E15 R55	E15-E17 PolarHBondContact O-N 3.26Å; E17-R55 PolarHBondContact O-NH1 2.89Å; E17-R55 PolarHBondContact O-NH2 3.07Å; E17-R55 IonicContact OE2-CZ 3.67Å; E17-R55 IonicContact OE2-NE 2.69Å; E17-R55 IonicContact OE2-NH2 3.87Å; E17-R55 PolarHBondContact OE2-NH2 3.49Å
18	M	38.6	Very low	43.1	Very low	39 Å²	39	55.1 Å²	55.1	19%	0.192	28%	0.275	C	S	.	.	S	Bend	trans	-73.1	-19.8	-179	-81.3	169.1	59.7	0	0	116.1	S20 Y23 V398 R400 K401	M18-S20 PolarHBondContact O-N 2.86Å; M18-Y23 VanDerWaalsContact O-CB 3.31Å; M18-Y23 WeakPolarHBondContact O-CB 3.41Å; M18-V398 HydrophobicContact CB-CG1 3.31Å; M18-V398 HydrophobicContact CG-CG1 3.44Å; M18-V398 VanDerWaalsContact CG-CG1 3.44Å; M18-V398 HydrophobicContact SD-CG1 3.69Å; M18-R400 VanDerWaalsContact SD-CA 3.6Å; M18-K401 HydrophobicContact CE-CB 3.87Å; M18-K401 HydrophobicContact CE-CD 4.26Å; M18-K401 HydrophobicContact CE-CG 3.93Å
19	L	43.9	Very low	43.6	Very low	82 Å²	82	58.2 Å²	58.2	43%	0.429	29%	0.291	S	S	.	.			trans	-77.3	38.3	-171.9	-65.3	167	0	0	0	112.6	V534	L19-V534 HydrophobicContact CD1-CG2 3.66Å; L19-V534 HydrophobicContact CD2-CG2 3.82Å; L19-V534 HydrophobicContact CG-CG2 4.41Å
20	S	41.6	Very low	44.1	Very low	23 Å²	23	64 Å²	64	16%	0.161	31%	0.307	C	S	.	.			trans	-77.7	147.8	178.8	68.3	0	0	0	0	112.6	M18 G22 Y23 L24 Y51	M18-S20 PolarHBondContact O-N 2.86Å; S20-G22 PolarHBondContact O-N 3.32Å; S20-G22 VanDerWaalsContact O-N 3.16Å; S20-Y23 PolarHBondContact O-N 3.27Å; S20-Y23 PolarHBondContact OG-N 2.97Å; S20-Y23 VanDerWaalsContact OG-N 3.09Å; S20-L24 PolarHBondContact O-N 3.19Å; S20-Y51 WeakPolarHBondContact CA-OH 3.44Å; S20-Y51 WeakPolarHBondContact CB-OH 3.32Å; S20-Y51 PolarHBondContact N-OH 3.39Å
21	W	44.3	Very low	44.4	Very low	31 Å²	31	63.7 Å²	63.7	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-49.6	-35.9	164.9	-69.3	112.7	0	0	0	111.7	L24 F25 F39 V48 Y51 Y52 P526	W21-L24 HydrophobicContact CE3-CB 4.47Å; W21-L24 HydrophobicContact CE3-CD1 3.9Å; W21-L24 HydrophobicContact CH2-CD1 4.29Å; W21-L24 HydrophobicContact CZ3-CD1 3.68Å; W21-L24 PolarHBondContact O-N 3.29Å; W21-F25 HydrophobicContact CB-CD2 4.35Å; W21-F25 HydrophobicContact CB-CE2 3.71Å; W21-F25 HydrophobicContact CB-CZ 3.93Å; W21-F25 HydrophobicContact CE3-CE1 4.33Å; W21-F25 HydrophobicContact CE3-CZ 4.27Å; W21-F25 WeakPolarHBondContact O-CB 3.3Å; W21-F25 WeakPolarHBondContact O-CD2 3.21Å; W21-F25 WeakPolarHBondContact O-CG 3.48Å; W21-F25 PolarHBondContact O-N 3.34Å; W21-F39 AromaticContact CE3-CD1 3.95Å; W21-F39 HydrophobicContact CE3-CD1 3.95Å; W21-F39 HydrophobicContact CE3-CD2 4.41Å; W21-F39 HydrophobicContact CE3-CE1 4.03Å; W21-F39 HydrophobicContact CE3-CE2 4.47Å; W21-F39 HydrophobicContact CE3-CG 4.17Å; W21-F39 HydrophobicContact CE3-CZ 4.31Å; W21-F39 AromaticContact CH2-CD1 3.92Å; W21-F39 HydrophobicContact CH2-CD1 3.92Å; W21-F39 AromaticContact CH2-CE1 3.15Å; W21-F39 HydrophobicContact CH2-CE1 3.15Å; W21-F39 HydrophobicContact CH2-CE2 4.02Å; W21-F39 AromaticContact CH2-CZ 3.23Å; W21-F39 HydrophobicContact CH2-CZ 3.23Å; W21-F39 HydrophobicContact CZ2-CD1 4.43Å; W21-F39 AromaticContact CZ2-CE1 3.8Å; W21-F39 HydrophobicContact CZ2-CE1 3.8Å; W21-F39 HydrophobicContact CZ2-CZ 4.28Å; W21-F39 AromaticContact CZ3-CD1 3.64Å; W21-F39 HydrophobicContact CZ3-CD1 3.64Å; W21-F39 AromaticContact CZ3-CD2 3.89Å; W21-F39 HydrophobicContact CZ3-CD2 3.89Å; W21-F39 AromaticContact CZ3-CE1 3.27Å; W21-F39 HydrophobicContact CZ3-CE1 3.27Å; W21-F39 AromaticContact CZ3-CE2 3.54Å; W21-F39 HydrophobicContact CZ3-CE2 3.54Å; W21-F39 AromaticContact CZ3-CG 3.94Å; W21-F39 HydrophobicContact CZ3-CG 3.94Å; W21-F39 AromaticContact CZ3-CZ 3.23Å; W21-F39 HydrophobicContact CZ3-CZ 3.23Å; W21-V48 HydrophobicContact CB-CG1 4.03Å; W21-V48 HydrophobicContact CD2-CG2 4.2Å; W21-V48 HydrophobicContact CG-CG1 4.24Å; W21-V48 HydrophobicContact CG-CG2 4.06Å; W21-Y51 AromaticContact CD1-CD1 3.8Å; W21-Y51 AromaticContact CD1-CG 3.66Å; W21-Y52 HydrophobicContact CB-CE2 4.25Å; W21-P526 HydrophobicContact CZ2-CB 3.95Å; W21-P526 HydrophobicContact CZ2-CG 3.72Å
22	G	44.7	Very low	44.8	Very low	19 Å²	19	64.1 Å²	64.1	20%	0.196	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-42.5	174.3	0	0	0	0	0	115	S20 F25 D26 Y52	S20-G22 PolarHBondContact O-N 3.32Å; S20-G22 VanDerWaalsContact O-N 3.16Å; G22-F25 PolarHBondContact O-N 3.32Å; G22-D26 WeakPolarHBondContact O-CB 3.34Å; G22-D26 PolarHBondContact O-N 2.88Å; G22-Y52 WeakPolarHBondContact CA-OH 3.36Å; G22-Y52 PolarHBondContact N-OH 3.47Å; G22-Y52 VanDerWaalsContact N-OH 3.12Å
23	Y	41.6	Very low	44.9	Very low	62 Å²	62	70 Å²	70	24%	0.243	35%	0.347	C	S	.	.	H	α-helix	trans	-68.9	-38.4	174.4	174.2	-102	0	0	0	111.5	M18 S20 R27 K401	M18-Y23 VanDerWaalsContact O-CB 3.31Å; M18-Y23 WeakPolarHBondContact O-CB 3.41Å; S20-Y23 PolarHBondContact O-N 3.27Å; S20-Y23 PolarHBondContact OG-N 2.97Å; S20-Y23 VanDerWaalsContact OG-N 3.09Å; Y23-R27 WeakPolarHBondContact O-CB 3.37Å; Y23-R27 PolarHBondContact O-N 3.44Å; Y23-R27 VanDerWaalsContact O-N 3.1Å; Y23-R27 WeakPolarHBondContact OH-CD 3.29Å; Y23-R27 PolarHBondContact OH-NE 2.95Å; Y23-K401 WeakPolarHBondContact OH-CD 3.29Å
24	L	44.8	Very low	45.6	Very low	65 Å²	65	72.7 Å²	72.7	34%	0.34	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-43.5	173.4	-82.4	164.4	0	0	0	111.6	S20 W21 R27 A28	S20-L24 PolarHBondContact O-N 3.19Å; W21-L24 HydrophobicContact CE3-CB 4.47Å; W21-L24 HydrophobicContact CE3-CD1 3.9Å; W21-L24 HydrophobicContact CH2-CD1 4.29Å; W21-L24 HydrophobicContact CZ3-CD1 3.68Å; W21-L24 PolarHBondContact O-N 3.29Å; L24-R27 PolarHBondContact O-N 3.05Å; L24-A28 VanDerWaalsContact O-CB 3.31Å; L24-A28 WeakPolarHBondContact O-CB 3.49Å; L24-A28 PolarHBondContact O-N 3.34Å
25	F	52.7	Low	45.9	Very low	9 Å²	9	67.9 Å²	67.9	4%	0.039	34%	0.341	C	S	.	.	H	α-helix	trans	-65.3	-50.9	177.8	-60.8	-33.6	0	0	0	112.7	W21 G22 R27 A28 D29 L35 R36 F39 F40 V48	W21-F25 HydrophobicContact CB-CD2 4.35Å; W21-F25 HydrophobicContact CB-CE2 3.71Å; W21-F25 HydrophobicContact CB-CZ 3.93Å; W21-F25 HydrophobicContact CE3-CE1 4.33Å; W21-F25 HydrophobicContact CE3-CZ 4.27Å; W21-F25 WeakPolarHBondContact O-CB 3.3Å; W21-F25 WeakPolarHBondContact O-CD2 3.21Å; W21-F25 WeakPolarHBondContact O-CG 3.48Å; W21-F25 PolarHBondContact O-N 3.34Å; G22-F25 PolarHBondContact O-N 3.32Å; F25-R27 PolarHBondContact O-N 3.33Å; F25-A28 WeakPolarHBondContact O-CB 3.38Å; F25-A28 PolarHBondContact O-N 2.99Å; F25-D29 PolarHBondContact O-N 3.42Å; F25-L35 HydrophobicContact CD1-CB 4.13Å; F25-L35 HydrophobicContact CE1-CB 4.5Å; F25-R36 HydrophobicContact CD1-CB 4.43Å; F25-F39 HydrophobicContact CE1-CB 3.71Å; F25-F39 HydrophobicContact CE1-CG 4.23Å; F25-F39 HydrophobicContact CZ-CB 3.93Å; F25-F40 AromaticContact CE2-CE2 3.87Å; F25-F40 HydrophobicContact CE2-CE2 3.87Å; F25-F40 HydrophobicContact CZ-CD2 4.41Å; F25-F40 AromaticContact CZ-CE2 4Å; F25-F40 HydrophobicContact CZ-CE2 4Å; F25-V48 HydrophobicContact CE2-CG1 3.81Å; F25-V48 HydrophobicContact CZ-CG1 4.03Å; F25-V48 HydrophobicContact CZ-CG2 4.14Å
26	D	45.4	Very low	46.3	Very low	74 Å²	74	71.6 Å²	71.6	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-57.9	-37.1	177.3	177	83.8	0	0	0	112.2	G22 R30	G22-D26 WeakPolarHBondContact O-CB 3.34Å; G22-D26 PolarHBondContact O-N 2.88Å; D26-R30 WeakPolarHBondContact O-CB 3.28Å; D26-R30 PolarHBondContact O-N 2.98Å; D26-R30 VanDerWaalsContact O-N 3.12Å; D26-R30 IonicContact OD1-NH1 3.48Å; D26-R30 PolarHBondContact OD1-NH1 3.44Å; D26-R30 IonicContact OD2-CZ 2.88Å; D26-R30 IonicContact OD2-NH1 2.85Å; D26-R30 PolarHBondContact OD2-NH1 3.45Å
27	R	40.8	Very low	46.6	Very low	107 Å²	107	73 Å²	73	40%	0.404	37%	0.366	S	S	.	.	H	α-helix	trans	-73.4	-31.8	176.7	-162	178.7	-162.1	-134.3	-7.4	112.9	Y23 L24 F25 L31	Y23-R27 WeakPolarHBondContact O-CB 3.37Å; Y23-R27 PolarHBondContact O-N 3.44Å; Y23-R27 VanDerWaalsContact O-N 3.1Å; Y23-R27 WeakPolarHBondContact OH-CD 3.29Å; Y23-R27 PolarHBondContact OH-NE 2.95Å; L24-R27 PolarHBondContact O-N 3.05Å; F25-R27 PolarHBondContact O-N 3.33Å; R27-L31 HydrophobicContact CG-CD1 4.21Å; R27-L31 WeakPolarHBondContact O-CB 3.45Å; R27-L31 WeakPolarHBondContact O-CD1 3.42Å; R27-L31 WeakPolarHBondContact O-CG 3.37Å; R27-L31 PolarHBondContact O-N 2.85Å
28	A	45.8	Very low	46.8	Very low	3 Å²	3	77.6 Å²	77.6	3%	0.025	38%	0.38	C	S	.	.	H	α-helix	trans	-69.4	-50.7	175.1	0	0	0	0	0	110.8	L24 F25 R30 L31 G32 Y33 L35	L24-A28 VanDerWaalsContact O-CB 3.31Å; L24-A28 WeakPolarHBondContact O-CB 3.49Å; L24-A28 PolarHBondContact O-N 3.34Å; F25-A28 WeakPolarHBondContact O-CB 3.38Å; F25-A28 PolarHBondContact O-N 2.99Å; A28-R30 PolarHBondContact O-N 2.85Å; A28-L31 CarbonylContact O-C 3.51Å; A28-L31 WeakPolarHBondContact O-CA 3.18Å; A28-L31 PolarHBondContact O-N 3.36Å; A28-G32 PolarHBondContact O-N 3.46Å; A28-G32 VanDerWaalsContact O-N 3.07Å; A28-Y33 CarbonylContact C-O 3.52Å; A28-Y33 WeakPolarHBondContact CA-O 3.4Å; A28-Y33 WeakPolarHBondContact CB-O 3.43Å; A28-Y33 PolarHBondContact O-N 2.74Å; A28-Y33 VanDerWaalsContact O-O 3.08Å; A28-L35 HydrophobicContact CB-CB 3.41Å; A28-L35 VanDerWaalsContact CB-CB 3.41Å; A28-L35 HydrophobicContact CB-CD1 3.55Å; A28-L35 HydrophobicContact CB-CG 3.64Å
29	D	49.8	Very low	47.5	Very low	73 Å²	73	78.2 Å²	78.2	39%	0.39	38%	0.381	S	S	.	.	H	α-helix	trans	-55	-42.2	178	-62.4	-21.2	0	0	0	110	F25 L31 G32 R36	F25-D29 PolarHBondContact O-N 3.42Å; D29-L31 PolarHBondContact O-N 3.5Å; D29-G32 PolarHBondContact O-N 3.46Å; D29-R36 IonicContact OD2-CZ 2.98Å; D29-R36 IonicContact OD2-NE 2.64Å; D29-R36 IonicContact OD2-NH2 3.28Å; D29-R36 PolarHBondContact OD2-NH2 2.84Å
30	R	46.2	Very low	48	Very low	192 Å²	192	77.2 Å²	77.2	73%	0.725	37%	0.374	S	S	*	.	H	α-helix	trans	-67.8	-26.3	173.3	-84.9	-176.6	163	115	0.1	115.9	D26 A28	D26-R30 WeakPolarHBondContact O-CB 3.28Å; D26-R30 PolarHBondContact O-N 2.98Å; D26-R30 VanDerWaalsContact O-N 3.12Å; D26-R30 IonicContact OD1-NH1 3.48Å; D26-R30 PolarHBondContact OD1-NH1 3.44Å; D26-R30 IonicContact OD2-CZ 2.88Å; D26-R30 IonicContact OD2-NH1 2.85Å; D26-R30 PolarHBondContact OD2-NH1 3.45Å; A28-R30 PolarHBondContact O-N 2.85Å
31	L	44.7	Very low	48.7	Very low	112 Å²	112	78.1 Å²	78.1	59%	0.586	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	5.9	178.8	-69.7	171.2	0	0	0	112.4	R27 A28 D29 Y33	R27-L31 HydrophobicContact CG-CD1 4.21Å; R27-L31 WeakPolarHBondContact O-CB 3.45Å; R27-L31 WeakPolarHBondContact O-CD1 3.42Å; R27-L31 WeakPolarHBondContact O-CG 3.37Å; R27-L31 PolarHBondContact O-N 2.85Å; A28-L31 CarbonylContact O-C 3.51Å; A28-L31 WeakPolarHBondContact O-CA 3.18Å; A28-L31 PolarHBondContact O-N 3.36Å; D29-L31 PolarHBondContact O-N 3.5Å; L31-Y33 HydrophobicContact CB-CD2 3.84Å; L31-Y33 WeakPolarHBondContact O-CD2 3.43Å; L31-Y33 PolarHBondContact O-N 2.92Å
32	G	39.1	Very low	49.2	Very low	74 Å²	74	82.4 Å²	82.4	76%	0.763	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	11.4	-175	0	0	0	0	0	114.3	A28 D29	A28-G32 PolarHBondContact O-N 3.46Å; A28-G32 VanDerWaalsContact O-N 3.07Å; D29-G32 PolarHBondContact O-N 3.46Å
33	Y	40.3	Very low	50	Low	151 Å²	151	85.2 Å²	85.2	59%	0.592	43%	0.427	S	S	*	.			trans	-95.7	117.6	175.7	-76.9	-90.7	0	0	0	109.8	A28 L31 L35	A28-Y33 CarbonylContact C-O 3.52Å; A28-Y33 WeakPolarHBondContact CA-O 3.4Å; A28-Y33 WeakPolarHBondContact CB-O 3.43Å; A28-Y33 PolarHBondContact O-N 2.74Å; A28-Y33 VanDerWaalsContact O-O 3.08Å; L31-Y33 HydrophobicContact CB-CD2 3.84Å; L31-Y33 WeakPolarHBondContact O-CD2 3.43Å; L31-Y33 PolarHBondContact O-N 2.92Å; Y33-L35 PolarHBondContact O-N 3.41Å
34	D	56.4	Low	50.9	Low	79 Å²	79	86.1 Å²	86.1	42%	0.422	43%	0.432	S	S	.	.			trans	-78.1	68.8	172.3	-167.4	-2.9	0	0	0	111.3	R36 S37 R38	D34-R36 PolarHBondContact O-N 3.25Å; D34-R36 WeakPolarHBondContact OD1-CB 3.37Å; D34-R36 PolarHBondContact OD1-N 2.88Å; D34-S37 VanDerWaalsContact CG-CB 3.45Å; D34-S37 VanDerWaalsContact CG-OG 3.24Å; D34-S37 PolarHBondContact OD1-N 2.89Å; D34-S37 PolarHBondContact OD1-OG 2.77Å; D34-S37 WeakPolarHBondContact OD2-CB 3.48Å; D34-S37 PolarHBondContact OD2-OG 3.34Å; D34-R38 WeakPolarHBondContact O-CG 3.47Å; D34-R38 PolarHBondContact O-N 2.77Å
35	L	54.5	Low	51.8	Low	53 Å²	53	89.1 Å²	89.1	28%	0.277	44%	0.439	S	S	.	.	H	α-helix	trans	-63.6	-23.3	169.5	-82.2	172.1	0	0	0	110.9	F25 A28 Y33 R38 F39	F25-L35 HydrophobicContact CD1-CB 4.13Å; F25-L35 HydrophobicContact CE1-CB 4.5Å; A28-L35 HydrophobicContact CB-CB 3.41Å; A28-L35 VanDerWaalsContact CB-CB 3.41Å; A28-L35 HydrophobicContact CB-CD1 3.55Å; A28-L35 HydrophobicContact CB-CG 3.64Å; Y33-L35 PolarHBondContact O-N 3.41Å; L35-R38 PolarHBondContact O-N 3.22Å; L35-F39 HydrophobicContact CD2-CD2 3.98Å; L35-F39 HydrophobicContact CD2-CE2 4.11Å; L35-F39 WeakPolarHBondContact O-CB 3.15Å; L35-F39 PolarHBondContact O-N 3.1Å
36	R	54.5	Low	52.6	Low	125 Å²	125	95.6 Å²	95.6	47%	0.472	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-59.6	177.5	-157.4	177.6	-64.6	-161.6	0.5	109.1	F25 D29 D34 R38 F39 F40	F25-R36 HydrophobicContact CD1-CB 4.43Å; D29-R36 IonicContact OD2-CZ 2.98Å; D29-R36 IonicContact OD2-NE 2.64Å; D29-R36 IonicContact OD2-NH2 3.28Å; D29-R36 PolarHBondContact OD2-NH2 2.84Å; D34-R36 PolarHBondContact O-N 3.25Å; D34-R36 WeakPolarHBondContact OD1-CB 3.37Å; D34-R36 PolarHBondContact OD1-N 2.88Å; R36-R38 VanDerWaalsContact C-N 3.28Å; R36-R38 PolarHBondContact O-N 3.01Å; R36-F39 PolarHBondContact O-N 3.44Å; R36-F40 HydrophobicContact CG-CD2 3.83Å; R36-F40 HydrophobicContact CG-CE2 3.96Å; R36-F40 VanDerWaalsContact O-CB 3.28Å; R36-F40 WeakPolarHBondContact O-CB 3.46Å; R36-F40 VanDerWaalsContact O-CD2 3.23Å; R36-F40 WeakPolarHBondContact O-CD2 3.3Å; R36-F40 PolarHBondContact O-N 2.95Å
37	S	58.5	Low	53.2	Low	73 Å²	73	95.7 Å²	95.7	51%	0.51	46%	0.458	S	S	.	.	H	α-helix	trans	-61.4	-33.5	177.2	-60.8	0	0	0	0	113.3	D34 F40 A41	D34-S37 VanDerWaalsContact CG-CB 3.45Å; D34-S37 VanDerWaalsContact CG-OG 3.24Å; D34-S37 PolarHBondContact OD1-N 2.89Å; D34-S37 PolarHBondContact OD1-OG 2.77Å; D34-S37 WeakPolarHBondContact OD2-CB 3.48Å; D34-S37 PolarHBondContact OD2-OG 3.34Å; S37-F40 CarbonylContact O-C 3.19Å; S37-A41 PolarHBondContact O-N 3.25Å; S37-A41 VanDerWaalsContact O-N 3.1Å
38	R	53.9	Low	54.2	Low	184 Å²	184	90.6 Å²	90.6	69%	0.694	44%	0.439	S	S	*	.	H	α-helix	trans	-71.8	-38.1	176.8	-72.3	-176.7	172.4	-165.8	-1.6	114.2	D34 L35 R36 A41	D34-R38 WeakPolarHBondContact O-CG 3.47Å; D34-R38 PolarHBondContact O-N 2.77Å; L35-R38 PolarHBondContact O-N 3.22Å; R36-R38 VanDerWaalsContact C-N 3.28Å; R36-R38 PolarHBondContact O-N 3.01Å; R38-A41 WeakPolarHBondContact O-CB 3.46Å; R38-A41 PolarHBondContact O-N 3.36Å
39	F	53.2	Low	55.4	Low	51 Å²	51	96.9 Å²	96.9	22%	0.224	47%	0.466	C	S	.	.	H	α-helix	trans	-83.4	-28.5	175.1	-100	-88	0	0	0	113.5	W21 F25 L35 R36 A41 F44 V48	W21-F39 AromaticContact CE3-CD1 3.95Å; W21-F39 HydrophobicContact CE3-CD1 3.95Å; W21-F39 HydrophobicContact CE3-CD2 4.41Å; W21-F39 HydrophobicContact CE3-CE1 4.03Å; W21-F39 HydrophobicContact CE3-CE2 4.47Å; W21-F39 HydrophobicContact CE3-CG 4.17Å; W21-F39 HydrophobicContact CE3-CZ 4.31Å; W21-F39 AromaticContact CH2-CD1 3.92Å; W21-F39 HydrophobicContact CH2-CD1 3.92Å; W21-F39 AromaticContact CH2-CE1 3.15Å; W21-F39 HydrophobicContact CH2-CE1 3.15Å; W21-F39 HydrophobicContact CH2-CE2 4.02Å; W21-F39 AromaticContact CH2-CZ 3.23Å; W21-F39 HydrophobicContact CH2-CZ 3.23Å; W21-F39 HydrophobicContact CZ2-CD1 4.43Å; W21-F39 AromaticContact CZ2-CE1 3.8Å; W21-F39 HydrophobicContact CZ2-CE1 3.8Å; W21-F39 HydrophobicContact CZ2-CZ 4.28Å; W21-F39 AromaticContact CZ3-CD1 3.64Å; W21-F39 HydrophobicContact CZ3-CD1 3.64Å; W21-F39 AromaticContact CZ3-CD2 3.89Å; W21-F39 HydrophobicContact CZ3-CD2 3.89Å; W21-F39 AromaticContact CZ3-CE1 3.27Å; W21-F39 HydrophobicContact CZ3-CE1 3.27Å; W21-F39 AromaticContact CZ3-CE2 3.54Å; W21-F39 HydrophobicContact CZ3-CE2 3.54Å; W21-F39 AromaticContact CZ3-CG 3.94Å; W21-F39 HydrophobicContact CZ3-CG 3.94Å; W21-F39 AromaticContact CZ3-CZ 3.23Å; W21-F39 HydrophobicContact CZ3-CZ 3.23Å; F25-F39 HydrophobicContact CE1-CB 3.71Å; F25-F39 HydrophobicContact CE1-CG 4.23Å; F25-F39 HydrophobicContact CZ-CB 3.93Å; L35-F39 HydrophobicContact CD2-CD2 3.98Å; L35-F39 HydrophobicContact CD2-CE2 4.11Å; L35-F39 WeakPolarHBondContact O-CB 3.15Å; L35-F39 PolarHBondContact O-N 3.1Å; R36-F39 PolarHBondContact O-N 3.44Å; F39-A41 PolarHBondContact O-N 2.94Å; F39-F44 HydrophobicContact CD1-CB 4.29Å; F39-V48 HydrophobicContact CB-CG2 4.43Å; F39-V48 HydrophobicContact CD1-CG2 4.16Å
40	F	54.6	Low	56.1	Low	61 Å²	61	95.9 Å²	95.9	27%	0.268	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	18.3	163.4	-70.5	-90.3	0	0	0	111.8	F25 R36 S37 R45 V48 F49	F25-F40 AromaticContact CE2-CE2 3.87Å; F25-F40 HydrophobicContact CE2-CE2 3.87Å; F25-F40 HydrophobicContact CZ-CD2 4.41Å; F25-F40 AromaticContact CZ-CE2 4Å; F25-F40 HydrophobicContact CZ-CE2 4Å; R36-F40 HydrophobicContact CG-CD2 3.83Å; R36-F40 HydrophobicContact CG-CE2 3.96Å; R36-F40 VanDerWaalsContact O-CB 3.28Å; R36-F40 WeakPolarHBondContact O-CB 3.46Å; R36-F40 VanDerWaalsContact O-CD2 3.23Å; R36-F40 WeakPolarHBondContact O-CD2 3.3Å; R36-F40 PolarHBondContact O-N 2.95Å; S37-F40 CarbonylContact O-C 3.19Å; F40-R45 HydrophobicContact CB-CG 4.25Å; F40-R45 HydrophobicContact CD1-CG 4.03Å; F40-R45 VanDerWaalsContact O-CZ 3.22Å; F40-R45 PolarHBondContact O-NE 3.32Å; F40-R45 PolarHBondContact O-NH2 2.96Å; F40-V48 HydrophobicContact CE2-CG1 4.39Å; F40-V48 HydrophobicContact CZ-CG1 4.08Å; F40-F49 AromaticContact CE1-CE2 3.89Å; F40-F49 HydrophobicContact CE1-CE2 3.89Å; F40-F49 HydrophobicContact CE1-CZ 4.3Å
41	A	57.6	Low	56.8	Low	43 Å²	43	88.4 Å²	88.4	36%	0.355	43%	0.431	S	S	.	.	S	Bend	trans	-77.4	141.1	157.9	0	0	0	0	0	110	S37 R38 F39 F44	S37-A41 PolarHBondContact O-N 3.25Å; S37-A41 VanDerWaalsContact O-N 3.1Å; R38-A41 WeakPolarHBondContact O-CB 3.46Å; R38-A41 PolarHBondContact O-N 3.36Å; F39-A41 PolarHBondContact O-N 2.94Å; A41-F44 PolarHBondContact O-N 3.3Å
42	V	54.9	Low	58	Low	120 Å²	120	87.8 Å²	87.8	73%	0.727	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	111.1	172.1	-177.4	0	0	0	0	105.9
43	P	60.6	Low	59.6	Low	79 Å²	79	90.2 Å²	90.2	51%	0.513	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn		-116.5	3.7	51.8	39.7	-35.5	0	0	0	117.1	W46	P43-W46 PolarHBondContact O-NE1 3.39Å
44	F	60.6	Low	60.9	Low	81 Å²	81	86.5 Å²	86.5	36%	0.355	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-12	-166.4	-57.9	-60.5	0	0	0	116.1	F39 A41 W46 R47	F39-F44 HydrophobicContact CD1-CB 4.29Å; A41-F44 PolarHBondContact O-N 3.3Å; F44-W46 VanDerWaalsContact C-N 3.33Å; F44-W46 PolarHBondContact O-N 3.4Å; F44-W46 VanDerWaalsContact O-N 3.15Å; F44-R47 WeakPolarHBondContact O-CB 3.47Å; F44-R47 PolarHBondContact O-N 3.22Å
45	R	64.4	Low	61.3	Low	128 Å²	128	84.7 Å²	84.7	48%	0.483	39%	0.389	S	S	.	.	H	α-helix	trans	-41.3	-53.2	179.8	-77.7	-173.8	179.9	175.2	5.5	114.4	F40 R47 V48 F49	F40-R45 HydrophobicContact CB-CG 4.25Å; F40-R45 HydrophobicContact CD1-CG 4.03Å; F40-R45 VanDerWaalsContact O-CZ 3.22Å; F40-R45 PolarHBondContact O-NE 3.32Å; F40-R45 PolarHBondContact O-NH2 2.96Å; R45-R47 PolarHBondContact O-N 2.85Å; R45-R47 VanDerWaalsContact O-N 3.16Å; R45-V48 PolarHBondContact O-N 2.91Å; R45-V48 VanDerWaalsContact O-N 3.16Å; R45-F49 WeakPolarHBondContact O-CD2 3.31Å; R45-F49 PolarHBondContact O-N 3.48Å
46	W	69.2	Low	62.4	Low	145 Å²	145	86.7 Å²	86.7	55%	0.549	40%	0.403	S	S	.	.	H	α-helix	trans	-60	-29.6	-173.6	69.2	-93.4	0	0	0	112.8	P43 F44 F49 H50	P43-W46 PolarHBondContact O-NE1 3.39Å; F44-W46 VanDerWaalsContact C-N 3.33Å; F44-W46 PolarHBondContact O-N 3.4Å; F44-W46 VanDerWaalsContact O-N 3.15Å; W46-F49 PolarHBondContact O-N 2.95Å; W46-H50 VanDerWaalsContact O-CB 3.31Å; W46-H50 WeakPolarHBondContact O-CB 3.43Å; W46-H50 PolarHBondContact O-N 2.72Å
47	R	57.9	Low	63.4	Low	75 Å²	75	83.3 Å²	83.3	28%	0.283	39%	0.394	S	S	.	.	H	α-helix	trans	-70.1	-39.7	179.8	-58	-171	-180	176.4	-5.2	112.2	F44 R45 H50 Y51 P526	F44-R47 WeakPolarHBondContact O-CB 3.47Å; F44-R47 PolarHBondContact O-N 3.22Å; R45-R47 PolarHBondContact O-N 2.85Å; R45-R47 VanDerWaalsContact O-N 3.16Å; R47-H50 PolarHBondContact O-N 3.31Å; R47-Y51 WeakPolarHBondContact O-CB 3.18Å; R47-Y51 PolarHBondContact O-N 3.3Å; R47-P526 HydrophobicContact CB-CB 4.38Å; R47-P526 HydrophobicContact CB-CG 3.82Å; R47-P526 HydrophobicContact CG-CG 4.47Å
48	V	62.2	Low	63.9	Low	1 Å²	1	80.5 Å²	80.5	1%	0.006	38%	0.376	C	S	.	.	H	α-helix	trans	-64.8	-46.6	175.1	179.2	0	0	0	0	109.8	W21 F25 F39 F40 R45 Y51 Y52	W21-V48 HydrophobicContact CB-CG1 4.03Å; W21-V48 HydrophobicContact CD2-CG2 4.2Å; W21-V48 HydrophobicContact CG-CG1 4.24Å; W21-V48 HydrophobicContact CG-CG2 4.06Å; F25-V48 HydrophobicContact CE2-CG1 3.81Å; F25-V48 HydrophobicContact CZ-CG1 4.03Å; F25-V48 HydrophobicContact CZ-CG2 4.14Å; F39-V48 HydrophobicContact CB-CG2 4.43Å; F39-V48 HydrophobicContact CD1-CG2 4.16Å; F40-V48 HydrophobicContact CE2-CG1 4.39Å; F40-V48 HydrophobicContact CZ-CG1 4.08Å; R45-V48 PolarHBondContact O-N 2.91Å; R45-V48 VanDerWaalsContact O-N 3.16Å; V48-Y51 PolarHBondContact O-N 2.91Å; V48-Y52 HydrophobicContact CG1-CD2 3.98Å; V48-Y52 HydrophobicContact CG1-CE2 3.95Å; V48-Y52 WeakPolarHBondContact O-CD2 3.18Å; V48-Y52 PolarHBondContact O-N 3.41Å; V48-Y52 VanDerWaalsContact O-N 3.11Å
49	F	69.4	Low	64.9	Low	135 Å²	135	75.5 Å²	75.5	59%	0.592	36%	0.363	S	S	*	.	H	α-helix	trans	-59	-47.7	174.3	-82.4	-76.5	0	0	0	112.2	F40 R45 W46 Y51 Y52 F53	F40-F49 AromaticContact CE1-CE2 3.89Å; F40-F49 HydrophobicContact CE1-CE2 3.89Å; F40-F49 HydrophobicContact CE1-CZ 4.3Å; R45-F49 WeakPolarHBondContact O-CD2 3.31Å; R45-F49 PolarHBondContact O-N 3.48Å; W46-F49 PolarHBondContact O-N 2.95Å; F49-Y51 VanDerWaalsContact C-N 3.34Å; F49-Y51 PolarHBondContact O-N 3.21Å; F49-Y52 PolarHBondContact O-N 2.98Å; F49-F53 VanDerWaalsContact O-CB 3.25Å; F49-F53 WeakPolarHBondContact O-CB 3.36Å; F49-F53 PolarHBondContact O-N 3.17Å
50	H	65	Low	66.3	Low	52 Å²	52	78 Å²	78	24%	0.241	38%	0.378	C	S	.	.	H	α-helix	trans	-59.8	-43.3	178.9	-172.9	75.8	0	0	0	112	W46 R47 F53 L54 H524	W46-H50 VanDerWaalsContact O-CB 3.31Å; W46-H50 WeakPolarHBondContact O-CB 3.43Å; W46-H50 PolarHBondContact O-N 2.72Å; R47-H50 PolarHBondContact O-N 3.31Å; H50-F53 WeakPolarHBondContact O-CB 3.36Å; H50-F53 PolarHBondContact O-N 3.5Å; H50-L54 WeakPolarHBondContact O-CG 3.49Å; H50-L54 PolarHBondContact O-N 3.03Å; H50-H524 AromaticContact NE2-CD2 3.61Å
51	Y	62	Low	67.3	Low	34 Å²	34	80.2 Å²	80.2	13%	0.133	39%	0.39	C	S	.	.	H	α-helix	trans	-59.3	-48.9	176	175.8	-85.8	0	0	0	112.7	S20 W21 R47 V48 F49 F53 L54 R55	S20-Y51 WeakPolarHBondContact CA-OH 3.44Å; S20-Y51 WeakPolarHBondContact CB-OH 3.32Å; S20-Y51 PolarHBondContact N-OH 3.39Å; W21-Y51 AromaticContact CD1-CD1 3.8Å; W21-Y51 AromaticContact CD1-CG 3.66Å; R47-Y51 WeakPolarHBondContact O-CB 3.18Å; R47-Y51 PolarHBondContact O-N 3.3Å; V48-Y51 PolarHBondContact O-N 2.91Å; F49-Y51 VanDerWaalsContact C-N 3.34Å; F49-Y51 PolarHBondContact O-N 3.21Å; Y51-F53 VanDerWaalsContact C-N 3.32Å; Y51-F53 PolarHBondContact O-N 3.48Å; Y51-L54 PolarHBondContact O-N 3.02Å; Y51-R55 HydrophobicContact CD1-CG 4.48Å; Y51-R55 HydrophobicContact CE1-CG 4Å; Y51-R55 WeakPolarHBondContact O-CG 3.44Å; Y51-R55 PolarHBondContact O-N 3.46Å; Y51-R55 PolarHBondContact OH-NH1 2.78Å; Y51-R55 PolarHBondContact OH-NH2 3.23Å
52	Y	68.1	Low	68	Low	100 Å²	100	79.8 Å²	79.8	39%	0.392	38%	0.381	S	S	.	.	H	α-helix	trans	-65.7	-36.4	176.7	-84.1	-73.9	0	0	0	112.4	W21 G22 V48 F49 R55 T56	W21-Y52 HydrophobicContact CB-CE2 4.25Å; G22-Y52 WeakPolarHBondContact CA-OH 3.36Å; G22-Y52 PolarHBondContact N-OH 3.47Å; G22-Y52 VanDerWaalsContact N-OH 3.12Å; V48-Y52 HydrophobicContact CG1-CD2 3.98Å; V48-Y52 HydrophobicContact CG1-CE2 3.95Å; V48-Y52 WeakPolarHBondContact O-CD2 3.18Å; V48-Y52 PolarHBondContact O-N 3.41Å; V48-Y52 VanDerWaalsContact O-N 3.11Å; F49-Y52 PolarHBondContact O-N 2.98Å; Y52-R55 PolarHBondContact O-N 3.35Å; Y52-T56 PolarHBondContact O-N 2.87Å; Y52-T56 PolarHBondContact O-OG1 2.9Å
53	F	74.2	Confident	69.2	Low	125 Å²	125	78.1 Å²	78.1	55%	0.548	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-46.4	174.6	179.3	-105	0	0	0	111.6	F49 H50 Y51 R55 T56 I57	F49-F53 VanDerWaalsContact O-CB 3.25Å; F49-F53 WeakPolarHBondContact O-CB 3.36Å; F49-F53 PolarHBondContact O-N 3.17Å; H50-F53 WeakPolarHBondContact O-CB 3.36Å; H50-F53 PolarHBondContact O-N 3.5Å; Y51-F53 VanDerWaalsContact C-N 3.32Å; Y51-F53 PolarHBondContact O-N 3.48Å; F53-R55 VanDerWaalsContact C-N 3.33Å; F53-R55 PolarHBondContact O-N 3.02Å; F53-T56 PolarHBondContact O-N 2.87Å; F53-I57 HydrophobicContact CD1-CD1 3.82Å; F53-I57 HydrophobicContact CD2-CD1 4.33Å; F53-I57 HydrophobicContact CE1-CD1 3.35Å; F53-I57 HydrophobicContact CE2-CD1 3.91Å; F53-I57 HydrophobicContact CG-CD1 4.3Å; F53-I57 HydrophobicContact CZ-CD1 3.42Å; F53-I57 VanDerWaalsContact CZ-CD1 3.42Å; F53-I57 WeakPolarHBondContact O-CB 3.26Å; F53-I57 WeakPolarHBondContact O-CG1 3.28Å; F53-I57 PolarHBondContact O-N 2.98Å
54	L	66	Low	70.2	Confident	72 Å²	72	79.8 Å²	79.8	38%	0.377	37%	0.371	S	S	.	.	H	α-helix	trans	-59.4	-40.5	173.1	-72.4	-179.8	0	0	0	112.3	H50 Y51 I57 G58	H50-L54 WeakPolarHBondContact O-CG 3.49Å; H50-L54 PolarHBondContact O-N 3.03Å; Y51-L54 PolarHBondContact O-N 3.02Å; L54-I57 PolarHBondContact O-N 3.23Å; L54-G58 PolarHBondContact O-N 3.42Å
55	R	66.5	Low	70.8	Confident	42 Å²	42	79 Å²	79	16%	0.158	38%	0.376	C	S	.	.	H	α-helix	trans	-65.8	-43	176.2	-69.6	-60.6	-170.8	85	-4.6	112.9	L16 E17 Y51 Y52 F53 G58 N59	L16-R55 PolarHBondContact O-NE 3.21Å; L16-R55 PolarHBondContact O-NH1 3.32Å; L16-R55 PolarHBondContact O-NH2 3.49Å; E17-R55 PolarHBondContact O-NH1 2.89Å; E17-R55 PolarHBondContact O-NH2 3.07Å; E17-R55 IonicContact OE2-CZ 3.67Å; E17-R55 IonicContact OE2-NE 2.69Å; E17-R55 IonicContact OE2-NH2 3.87Å; E17-R55 PolarHBondContact OE2-NH2 3.49Å; Y51-R55 HydrophobicContact CD1-CG 4.48Å; Y51-R55 HydrophobicContact CE1-CG 4Å; Y51-R55 WeakPolarHBondContact O-CG 3.44Å; Y51-R55 PolarHBondContact O-N 3.46Å; Y51-R55 PolarHBondContact OH-NH1 2.78Å; Y51-R55 PolarHBondContact OH-NH2 3.23Å; Y52-R55 PolarHBondContact O-N 3.35Å; F53-R55 VanDerWaalsContact C-N 3.33Å; F53-R55 PolarHBondContact O-N 3.02Å; R55-G58 PolarHBondContact O-N 3.29Å; R55-N59 PolarHBondContact O-N 3.03Å
56	T	76.6	Confident	71.2	Confident	94 Å²	94	76.5 Å²	76.5	58%	0.577	37%	0.366	S	S	*	.	H	α-helix	trans	-64.4	-42.8	176	-62.2	0	0	0	0	111.5	Y52 F53 N59 L60	Y52-T56 PolarHBondContact O-N 2.87Å; Y52-T56 PolarHBondContact O-OG1 2.9Å; F53-T56 PolarHBondContact O-N 2.87Å; T56-N59 PolarHBondContact O-N 2.95Å; T56-L60 PolarHBondContact O-N 3.05Å; T56-L60 VanDerWaalsContact O-N 3.08Å
57	I	76.9	Confident	71.8	Confident	55 Å²	55	70.9 Å²	70.9	28%	0.282	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-42.4	173.7	-73.6	179.3	0	0	0	111.2	F53 L54 N59 L60 Q61	F53-I57 HydrophobicContact CD1-CD1 3.82Å; F53-I57 HydrophobicContact CD2-CD1 4.33Å; F53-I57 HydrophobicContact CE1-CD1 3.35Å; F53-I57 HydrophobicContact CE2-CD1 3.91Å; F53-I57 HydrophobicContact CG-CD1 4.3Å; F53-I57 HydrophobicContact CZ-CD1 3.42Å; F53-I57 VanDerWaalsContact CZ-CD1 3.42Å; F53-I57 WeakPolarHBondContact O-CB 3.26Å; F53-I57 WeakPolarHBondContact O-CG1 3.28Å; F53-I57 PolarHBondContact O-N 2.98Å; L54-I57 PolarHBondContact O-N 3.23Å; I57-N59 PolarHBondContact O-N 3.2Å; I57-L60 PolarHBondContact O-N 3.37Å; I57-Q61 HydrophobicContact CG2-CG 4.05Å; I57-Q61 VanDerWaalsContact CG2-NE2 3.32Å; I57-Q61 WeakPolarHBondContact O-CB 3.26Å; I57-Q61 VanDerWaalsContact O-CG 3.3Å; I57-Q61 WeakPolarHBondContact O-CG 3.49Å; I57-Q61 PolarHBondContact O-N 3.15Å
58	G	68.9	Low	73.2	Confident	14 Å²	14	70.4 Å²	70.4	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-58.6	-46.7	176.7	0	0	0	0	0	112.3	L54 R55 L60 Q61 L62	L54-G58 PolarHBondContact O-N 3.42Å; R55-G58 PolarHBondContact O-N 3.29Å; G58-L60 PolarHBondContact O-N 2.91Å; G58-Q61 PolarHBondContact O-N 3.19Å; G58-L62 WeakPolarHBondContact O-CB 3.41Å; G58-L62 VanDerWaalsContact O-CG 3.31Å; G58-L62 WeakPolarHBondContact O-CG 3.42Å; G58-L62 PolarHBondContact O-N 3.13Å
59	N	74.8	Confident	74.5	Confident	79 Å²	79	74.3 Å²	74.3	42%	0.422	37%	0.373	S	S	.	.	H	α-helix	trans	-57.5	-46.4	173.5	-71.9	-19.6	0	0	0	111.9	L16 R55 T56 I57 L62 L63	L16-N59 WeakPolarHBondContact CD1-OD1 3.45Å; L16-N59 WeakPolarHBondContact CD2-OD1 3.46Å; R55-N59 PolarHBondContact O-N 3.03Å; T56-N59 PolarHBondContact O-N 2.95Å; I57-N59 PolarHBondContact O-N 3.2Å; N59-L62 PolarHBondContact O-N 3.22Å; N59-L63 WeakPolarHBondContact O-CG 3.46Å; N59-L63 PolarHBondContact O-N 3.34Å
60	L	81.9	Confident	75.5	Confident	102 Å²	102	71.9 Å²	71.9	53%	0.534	37%	0.366	S	S	.	.	H	α-helix	trans	-65.7	-42.4	179	-175.8	61.7	0	0	0	112	T56 I57 G58 L62 L63 I64	T56-L60 PolarHBondContact O-N 3.05Å; T56-L60 VanDerWaalsContact O-N 3.08Å; I57-L60 PolarHBondContact O-N 3.37Å; G58-L60 PolarHBondContact O-N 2.91Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 3.03Å; L60-L63 PolarHBondContact O-N 3.43Å; L60-I64 HydrophobicContact CD1-CD1 4.11Å; L60-I64 HydrophobicContact CD1-CG1 4.48Å; L60-I64 HydrophobicContact CG-CD1 3.88Å; L60-I64 WeakPolarHBondContact O-CB 3.25Å; L60-I64 VanDerWaalsContact O-CG1 3.28Å; L60-I64 WeakPolarHBondContact O-CG1 3.37Å; L60-I64 PolarHBondContact O-N 3.18Å
61	Q	75.2	Confident	76.7	Confident	109 Å²	109	72.8 Å²	72.8	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-63.9	-35.3	175.5	-74.7	178.8	-1.3	0	0	112.1	I57 G58 S65	I57-Q61 HydrophobicContact CG2-CG 4.05Å; I57-Q61 VanDerWaalsContact CG2-NE2 3.32Å; I57-Q61 WeakPolarHBondContact O-CB 3.26Å; I57-Q61 VanDerWaalsContact O-CG 3.3Å; I57-Q61 WeakPolarHBondContact O-CG 3.49Å; I57-Q61 PolarHBondContact O-N 3.15Å; G58-Q61 PolarHBondContact O-N 3.19Å; Q61-S65 WeakPolarHBondContact O-CB 3.33Å; Q61-S65 PolarHBondContact O-N 2.92Å; Q61-S65 PolarHBondContact O-OG 3.37Å
62	L	72.7	Confident	78.1	Confident	34 Å²	34	71.7 Å²	71.7	18%	0.178	36%	0.364	C	S	.	.	H	α-helix	trans	-66.6	-45.7	172.9	-74.7	168	0	0	0	111.7	L3 P8 V12 L16 G58 N59 L60 I64 S65 R66	L3-L62 HydrophobicContact CD2-CD2 4.15Å; P8-L62 HydrophobicContact CB-CD2 3.84Å; P8-L62 HydrophobicContact CG-CD2 4.4Å; V12-L62 HydrophobicContact CG1-CD1 4.41Å; V12-L62 HydrophobicContact CG2-CD2 4.36Å; L16-L62 HydrophobicContact CD1-CD1 3.8Å; G58-L62 WeakPolarHBondContact O-CB 3.41Å; G58-L62 VanDerWaalsContact O-CG 3.31Å; G58-L62 WeakPolarHBondContact O-CG 3.42Å; G58-L62 PolarHBondContact O-N 3.13Å; N59-L62 PolarHBondContact O-N 3.22Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 3.03Å; L62-I64 VanDerWaalsContact C-N 3.32Å; L62-I64 PolarHBondContact O-N 2.94Å; L62-S65 WeakPolarHBondContact CA-OG 3.5Å; L62-S65 PolarHBondContact O-N 3.41Å; L62-S65 PolarHBondContact O-OG 2.99Å; L62-R66 WeakPolarHBondContact O-CB 3.2Å; L62-R66 WeakPolarHBondContact O-CG 3.29Å; L62-R66 PolarHBondContact O-N 3.09Å
63	L	80.4	Confident	79.3	Confident	84 Å²	84	68.4 Å²	68.4	44%	0.44	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-41.8	176	-70.6	171.5	0	0	0	112.4	N59 L60 D67 I68	N59-L63 WeakPolarHBondContact O-CG 3.46Å; N59-L63 PolarHBondContact O-N 3.34Å; L60-L63 PolarHBondContact O-N 3.43Å; L63-D67 PolarHBondContact O-N 3.18Å; L63-I68 HydrophobicContact CD2-CB 4.43Å; L63-I68 HydrophobicContact CD2-CD1 4.03Å; L63-I68 PolarHBondContact O-N 2.95Å; L63-I68 VanDerWaalsContact O-N 3.14Å
64	I	80.9	Confident	80.2	Confident	115 Å²	115	63 Å²	63	59%	0.59	33%	0.333	S	S	*	.	H	α-helix	trans	-71.7	-49.4	178.2	-67.4	167.8	0	0	0	111.3	L60 L62 R66 D67	L60-I64 HydrophobicContact CD1-CD1 4.11Å; L60-I64 HydrophobicContact CD1-CG1 4.48Å; L60-I64 HydrophobicContact CG-CD1 3.88Å; L60-I64 WeakPolarHBondContact O-CB 3.25Å; L60-I64 VanDerWaalsContact O-CG1 3.28Å; L60-I64 WeakPolarHBondContact O-CG1 3.37Å; L60-I64 PolarHBondContact O-N 3.18Å; L62-I64 VanDerWaalsContact C-N 3.32Å; L62-I64 PolarHBondContact O-N 2.94Å; I64-R66 VanDerWaalsContact C-N 3.29Å; I64-R66 PolarHBondContact O-N 3.35Å; I64-D67 WeakPolarHBondContact O-CA 3.43Å; I64-D67 PolarHBondContact O-N 2.85Å
65	S	72.7	Confident	81.4	Confident	64 Å²	64	61 Å²	61	45%	0.448	32%	0.322	S	S	.	.	H	α-helix	trans	-66.7	-28.3	-177.1	58.8	0	0	0	0	113.7	Q61 L62 D67	Q61-S65 WeakPolarHBondContact O-CB 3.33Å; Q61-S65 PolarHBondContact O-N 2.92Å; Q61-S65 PolarHBondContact O-OG 3.37Å; L62-S65 WeakPolarHBondContact CA-OG 3.5Å; L62-S65 PolarHBondContact O-N 3.41Å; L62-S65 PolarHBondContact O-OG 2.99Å; S65-D67 VanDerWaalsContact C-N 3.35Å
66	R	74.1	Confident	82.8	Confident	76 Å²	76	59.6 Å²	59.6	29%	0.287	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.7	171.1	-65.1	-56	-140.2	-173.1	6.4	113.9	D7 P8 D9 L62 I64 I68 R71	D7-R66 IonicContact OD1-CZ 3.61Å; D7-R66 IonicContact OD1-NH1 3.11Å; D7-R66 PolarHBondContact OD1-NH1 3.1Å; D7-R66 IonicContact OD1-NH2 3.87Å; D7-R66 PolarHBondContact OD1-NH2 3.09Å; P8-R66 VanDerWaalsContact CD-CZ 3.5Å; D9-R66 IonicContact OD1-CZ 2.67Å; D9-R66 IonicContact OD1-NH2 2.63Å; D9-R66 PolarHBondContact OD1-NH2 3.11Å; L62-R66 WeakPolarHBondContact O-CB 3.2Å; L62-R66 WeakPolarHBondContact O-CG 3.29Å; L62-R66 PolarHBondContact O-N 3.09Å; I64-R66 VanDerWaalsContact C-N 3.29Å; I64-R66 PolarHBondContact O-N 3.35Å; R66-I68 HydrophobicContact CB-CD1 3.84Å; R66-I68 HydrophobicContact CB-CG1 3.73Å; R66-I68 PolarHBondContact O-N 3.12Å; R66-R71 VanDerWaalsContact O-CD 3.31Å; R66-R71 WeakPolarHBondContact O-CD 3.17Å; R66-R71 PolarHBondContact O-NH1 2.96Å
67	D	82.1	Confident	83.6	Confident	26 Å²	26	63.2 Å²	63.2	14%	0.139	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	38.5	-177.6	-166.1	40.4	0	0	0	113.7	L63 I64 S65 V69 N70 R71 V244	L63-D67 PolarHBondContact O-N 3.18Å; I64-D67 WeakPolarHBondContact O-CA 3.43Å; I64-D67 PolarHBondContact O-N 2.85Å; S65-D67 VanDerWaalsContact C-N 3.35Å; D67-V69 VanDerWaalsContact C-N 3.33Å; D67-V69 PolarHBondContact O-N 2.82Å; D67-N70 PolarHBondContact O-N 2.68Å; D67-N70 WeakPolarHBondContact OD1-CB 3.4Å; D67-N70 PolarHBondContact OD1-ND2 3.22Å; D67-N70 WeakPolarHBondContact OD2-CB 3.31Å; D67-R71 HydrophobicContact CB-CG 4.41Å; D67-R71 VanDerWaalsContact O-CB 3.25Å; D67-R71 WeakPolarHBondContact O-CB 3.17Å; D67-R71 VanDerWaalsContact O-CG 3.28Å; D67-R71 WeakPolarHBondContact O-CG 3.39Å; D67-R71 PolarHBondContact O-N 3.2Å; D67-V244 HydrophobicContact CB-CG1 3.76Å; D67-V244 WeakPolarHBondContact OD2-CG1 3.38Å
68	I	85.7	Confident	84.3	Confident	65 Å²	65	63.2 Å²	63.2	33%	0.333	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-41.3	-167.9	-73.1	165.3	0	0	0	111.4	L63 R66 T72	L63-I68 HydrophobicContact CD2-CB 4.43Å; L63-I68 HydrophobicContact CD2-CD1 4.03Å; L63-I68 PolarHBondContact O-N 2.95Å; L63-I68 VanDerWaalsContact O-N 3.14Å; R66-I68 HydrophobicContact CB-CD1 3.84Å; R66-I68 HydrophobicContact CB-CG1 3.73Å; R66-I68 PolarHBondContact O-N 3.12Å; I68-T72 WeakPolarHBondContact O-CB 3.32Å; I68-T72 PolarHBondContact O-N 3.3Å; I68-T72 PolarHBondContact O-OG1 3.04Å
69	V	91.3	Very high	85.5	Confident	84 Å²	84	62.7 Å²	62.7	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-65.1	-51.1	-177.7	-178.4	0	0	0	0	111.4	D67 T72 S73 F83	D67-V69 VanDerWaalsContact C-N 3.33Å; D67-V69 PolarHBondContact O-N 2.82Å; V69-T72 PolarHBondContact O-N 2.94Å; V69-S73 WeakPolarHBondContact O-CB 3.38Å; V69-S73 PolarHBondContact O-N 3.29Å; V69-F83 HydrophobicContact CG1-CE2 4.39Å; V69-F83 HydrophobicContact CG1-CZ 4.46Å
70	N	89.4	Confident	86.4	Confident	84 Å²	84	60.5 Å²	60.5	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-68.7	-43	-179.3	-62.9	-49.6	0	0	0	111.1	D67 T72 S73 E74	D67-N70 PolarHBondContact O-N 2.68Å; D67-N70 WeakPolarHBondContact OD1-CB 3.4Å; D67-N70 PolarHBondContact OD1-ND2 3.22Å; D67-N70 WeakPolarHBondContact OD2-CB 3.31Å; N70-T72 VanDerWaalsContact C-N 3.31Å; N70-T72 PolarHBondContact O-N 3.12Å; N70-S73 PolarHBondContact O-N 2.67Å; N70-E74 WeakPolarHBondContact O-CB 3.31Å; N70-E74 WeakPolarHBondContact O-CG 3.2Å; N70-E74 PolarHBondContact O-N 2.67Å
71	R	89.4	Confident	87	Confident	71 Å²	71	56.4 Å²	56.4	27%	0.268	29%	0.291	S	S	.	.	H	α-helix	trans	-56.4	-44	174.8	-76	169.7	158.5	-175.6	-13	112.7	R66 D67 M75 D247 A248	R66-R71 VanDerWaalsContact O-CD 3.31Å; R66-R71 WeakPolarHBondContact O-CD 3.17Å; R66-R71 PolarHBondContact O-NH1 2.96Å; D67-R71 HydrophobicContact CB-CG 4.41Å; D67-R71 VanDerWaalsContact O-CB 3.25Å; D67-R71 WeakPolarHBondContact O-CB 3.17Å; D67-R71 VanDerWaalsContact O-CG 3.28Å; D67-R71 WeakPolarHBondContact O-CG 3.39Å; D67-R71 PolarHBondContact O-N 3.2Å; R71-M75 WeakPolarHBondContact O-CB 3.49Å; R71-M75 WeakPolarHBondContact O-CG 3.42Å; R71-M75 PolarHBondContact O-N 3.37Å; R71-D247 IonicContact NH2-OD2 3.86Å; R71-D247 PolarHBondContact NH2-OD2 3.41Å; R71-A248 HydrophobicContact CB-CB 4.15Å; R71-A248 HydrophobicContact CG-CB 3.69Å
72	T	92.9	Very high	88.1	Confident	10 Å²	10	57.9 Å²	57.9	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-69.4	-38.9	178	-55.8	0	0	0	0	111.3	I68 V69 N70 M75 A76 F83 V86 L87	I68-T72 WeakPolarHBondContact O-CB 3.32Å; I68-T72 PolarHBondContact O-N 3.3Å; I68-T72 PolarHBondContact O-OG1 3.04Å; V69-T72 PolarHBondContact O-N 2.94Å; N70-T72 VanDerWaalsContact C-N 3.31Å; N70-T72 PolarHBondContact O-N 3.12Å; T72-M75 PolarHBondContact O-N 3.49Å; T72-A76 VanDerWaalsContact O-CB 3.29Å; T72-A76 WeakPolarHBondContact O-CB 3.44Å; T72-A76 PolarHBondContact O-N 3.29Å; T72-F83 HydrophobicContact CG2-CD1 4.19Å; T72-F83 HydrophobicContact CG2-CD2 3.73Å; T72-F83 HydrophobicContact CG2-CE1 4Å; T72-F83 HydrophobicContact CG2-CE2 3.54Å; T72-F83 HydrophobicContact CG2-CG 4.06Å; T72-F83 HydrophobicContact CG2-CZ 3.68Å; T72-V86 HydrophobicContact CG2-CB 3.79Å; T72-V86 HydrophobicContact CG2-CG1 3.86Å; T72-V86 HydrophobicContact CG2-CG2 4.41Å; T72-L87 HydrophobicContact CG2-CD1 4.28Å; T72-L87 HydrophobicContact CG2-CD2 3.93Å; T72-L87 HydrophobicContact CG2-CG 3.84Å
73	S	93.8	Very high	89.2	Confident	32 Å²	32	60.4 Å²	60.4	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-44.3	174.8	-165.5	0	0	0	0	112.2	V69 N70 A76 R77	V69-S73 WeakPolarHBondContact O-CB 3.38Å; V69-S73 PolarHBondContact O-N 3.29Å; N70-S73 PolarHBondContact O-N 2.67Å; S73-A76 WeakPolarHBondContact O-CB 3.23Å; S73-A76 PolarHBondContact O-N 2.78Å; S73-R77 VanDerWaalsContact O-CG 3.31Å; S73-R77 WeakPolarHBondContact O-CG 3.23Å; S73-R77 PolarHBondContact O-N 3.11Å
74	E	91.5	Very high	89.9	Confident	12 Å²	12	62 Å²	62	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-67.3	-39.1	177.1	-70.3	-58.3	122.6	0	0	112.6	N70 R77 L78 I245 A248 R249	N70-E74 WeakPolarHBondContact O-CB 3.31Å; N70-E74 WeakPolarHBondContact O-CG 3.2Å; N70-E74 PolarHBondContact O-N 2.67Å; E74-R77 PolarHBondContact O-N 2.84Å; E74-R77 IonicContact OE1-CZ 3.2Å; E74-R77 IonicContact OE1-NH1 3.49Å; E74-R77 PolarHBondContact OE1-NH1 2.9Å; E74-L78 VanDerWaalsContact O-CB 3.24Å; E74-L78 WeakPolarHBondContact O-CB 3.36Å; E74-L78 PolarHBondContact O-N 3.1Å; E74-I245 HydrophobicContact CG-CG2 3.95Å; E74-A248 HydrophobicContact CB-CB 4.23Å; E74-R249 HydrophobicContact CB-CG 4.48Å; E74-R249 IonicContact OE1-NH2 3.87Å; E74-R249 IonicContact OE2-CZ 3.13Å; E74-R249 IonicContact OE2-NE 2.68Å; E74-R249 PolarHBondContact OE2-NE 2.98Å; E74-R249 IonicContact OE2-NH2 2.72Å; E74-R249 PolarHBondContact OE2-NH2 3.15Å
75	M	92.2	Very high	90.6	Very high	29 Å²	29	58.2 Å²	58.2	14%	0.143	30%	0.295	C	S	.	.	H	α-helix	trans	-66.2	-38.2	171.8	-74.6	-172.5	-170.7	0	0	112.3	R71 T72 L78 F79 V86 M251	R71-M75 WeakPolarHBondContact O-CB 3.49Å; R71-M75 WeakPolarHBondContact O-CG 3.42Å; R71-M75 PolarHBondContact O-N 3.37Å; T72-M75 PolarHBondContact O-N 3.49Å; M75-L78 PolarHBondContact O-N 2.87Å; M75-F79 HydrophobicContact CB-CD2 4.28Å; M75-F79 HydrophobicContact CB-CE2 3.75Å; M75-F79 HydrophobicContact CB-CZ 4.23Å; M75-F79 HydrophobicContact CG-CE2 4.14Å; M75-F79 HydrophobicContact CG-CZ 4.21Å; M75-F79 WeakPolarHBondContact O-CD2 3.49Å; M75-F79 VanDerWaalsContact O-CG 3.23Å; M75-F79 WeakPolarHBondContact O-CG 3.24Å; M75-F79 PolarHBondContact O-N 3.47Å; M75-F79 HydrophobicContact SD-CE2 4.39Å; M75-V86 HydrophobicContact CB-CG1 3.81Å; M75-V86 HydrophobicContact CB-CG2 4.38Å; M75-V86 HydrophobicContact SD-CG1 4.32Å; M75-M251 HydrophobicContact CE-CB 4.49Å; M75-M251 HydrophobicContact CE-CG 4.46Å; M75-M251 HydrophobicContact CE-SD 4.47Å
76	A	94.6	Very high	91.6	Very high	12 Å²	12	55.6 Å²	55.6	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-46	175.4	0	0	0	0	0	111.3	T72 S73 G80 I81 V86	T72-A76 VanDerWaalsContact O-CB 3.29Å; T72-A76 WeakPolarHBondContact O-CB 3.44Å; T72-A76 PolarHBondContact O-N 3.29Å; S73-A76 WeakPolarHBondContact O-CB 3.23Å; S73-A76 PolarHBondContact O-N 2.78Å; A76-G80 CarbonylContact O-C 3.5Å; A76-G80 VanDerWaalsContact O-CA 3.27Å; A76-G80 WeakPolarHBondContact O-CA 3.28Å; A76-G80 PolarHBondContact O-N 3.32Å; A76-I81 WeakPolarHBondContact CB-O 3.33Å; A76-I81 PolarHBondContact O-N 2.94Å; A76-I81 VanDerWaalsContact O-N 3.1Å; A76-V86 HydrophobicContact CB-CG2 3.74Å
77	R	93.6	Very high	92.5	Very high	171 Å²	171	57 Å²	57	65%	0.645	29%	0.289	S	S	*	.	H	α-helix	trans	-60.2	-47.2	173.6	-71.5	167.4	178.2	164.6	0	111.9	S73 E74 G80	S73-R77 VanDerWaalsContact O-CG 3.31Å; S73-R77 WeakPolarHBondContact O-CG 3.23Å; S73-R77 PolarHBondContact O-N 3.11Å; E74-R77 PolarHBondContact O-N 2.84Å; E74-R77 IonicContact OE1-CZ 3.2Å; E74-R77 IonicContact OE1-NH1 3.49Å; E74-R77 PolarHBondContact OE1-NH1 2.9Å; R77-G80 PolarHBondContact O-N 3.29Å
78	L	92.2	Very high	93	Very high	55 Å²	55	59.4 Å²	59.4	29%	0.288	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-43.7	-178.2	176.7	64.6	0	0	0	113.1	E74 M75 L253	E74-L78 VanDerWaalsContact O-CB 3.24Å; E74-L78 WeakPolarHBondContact O-CB 3.36Å; E74-L78 PolarHBondContact O-N 3.1Å; M75-L78 PolarHBondContact O-N 2.87Å; L78-L253 HydrophobicContact CD1-CD2 3.76Å; L78-L253 HydrophobicContact CD1-CG 4.15Å; L78-L253 HydrophobicContact CD2-CD2 4.23Å; L78-L253 HydrophobicContact CD2-CG 3.91Å
79	F	93.5	Very high	93.4	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.009	31%	0.308	C	S	.	.	H	α-helix	trans	-87.6	-11.8	-180	-48.1	-33.4	0	0	0	112.7	M75 I81 R94 S97 I98 R101 I256	M75-F79 HydrophobicContact CB-CD2 4.28Å; M75-F79 HydrophobicContact CB-CE2 3.75Å; M75-F79 HydrophobicContact CB-CZ 4.23Å; M75-F79 HydrophobicContact CG-CE2 4.14Å; M75-F79 HydrophobicContact CG-CZ 4.21Å; M75-F79 WeakPolarHBondContact O-CD2 3.49Å; M75-F79 VanDerWaalsContact O-CG 3.23Å; M75-F79 WeakPolarHBondContact O-CG 3.24Å; M75-F79 PolarHBondContact O-N 3.47Å; M75-F79 HydrophobicContact SD-CE2 4.39Å; F79-I81 HydrophobicContact CB-CD1 4.24Å; F79-I81 HydrophobicContact CB-CG1 4.13Å; F79-I81 HydrophobicContact CB-CG2 4.4Å; F79-I81 HydrophobicContact CD2-CD1 4.11Å; F79-R94 HydrophobicContact CD2-CB 4.23Å; F79-R94 HydrophobicContact CD2-CG 4.15Å; F79-R94 HydrophobicContact CE2-CG 4.48Å; F79-R94 HydrophobicContact CG-CB 4.3Å; F79-S97 WeakPolarHBondContact O-CB 3.48Å; F79-I98 HydrophobicContact CD1-CD1 4.22Å; F79-R101 PolarHBondContact O-NH2 2.79Å; F79-I256 HydrophobicContact CD1-CD1 3.76Å; F79-I256 HydrophobicContact CD1-CG1 3.7Å; F79-I256 HydrophobicContact CE1-CD1 3.59Å; F79-I256 HydrophobicContact CE1-CG1 3.29Å; F79-I256 HydrophobicContact CG-CD1 4.41Å; F79-I256 HydrophobicContact CZ-CD1 4.08Å; F79-I256 HydrophobicContact CZ-CG1 4.09Å
80	G	94	Very high	93.4	Very high	34 Å²	34	59 Å²	59	35%	0.351	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	32.3	-175.2	0	0	0	0	0	114.4	A76 R77 R101	A76-G80 CarbonylContact O-C 3.5Å; A76-G80 VanDerWaalsContact O-CA 3.27Å; A76-G80 WeakPolarHBondContact O-CA 3.28Å; A76-G80 PolarHBondContact O-N 3.32Å; R77-G80 PolarHBondContact O-N 3.29Å; G80-R101 VanDerWaalsContact C-NH2 3.28Å; G80-R101 PolarHBondContact O-NH1 3.27Å; G80-R101 PolarHBondContact O-NH2 2.9Å
81	I	95.6	Very high	93.6	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.082	31%	0.306	C	S	.	.			trans	-112.1	168.2	-179.6	65.6	-177.7	0	0	0	111.6	A76 F79 E85 V86 F93 R94 S97	A76-I81 WeakPolarHBondContact CB-O 3.33Å; A76-I81 PolarHBondContact O-N 2.94Å; A76-I81 VanDerWaalsContact O-N 3.1Å; F79-I81 HydrophobicContact CB-CD1 4.24Å; F79-I81 HydrophobicContact CB-CG1 4.13Å; F79-I81 HydrophobicContact CB-CG2 4.4Å; F79-I81 HydrophobicContact CD2-CD1 4.11Å; I81-E85 HydrophobicContact CB-CB 4.4Å; I81-E85 HydrophobicContact CD1-CB 4.2Å; I81-E85 HydrophobicContact CG1-CB 4.41Å; I81-V86 HydrophobicContact CD1-CG2 3.83Å; I81-V86 HydrophobicContact CG1-CG2 3.79Å; I81-F93 HydrophobicContact CB-CE1 4.05Å; I81-F93 HydrophobicContact CD1-CD1 4.36Å; I81-F93 HydrophobicContact CD1-CE1 4.38Å; I81-F93 HydrophobicContact CG2-CD1 4.22Å; I81-F93 HydrophobicContact CG2-CE1 3.67Å; I81-F93 HydrophobicContact CG2-CZ 4.29Å; I81-R94 HydrophobicContact CD1-CG 4.2Å; I81-S97 WeakPolarHBondContact CG2-OG 3.44Å
82	Q	96.6	Very high	93.8	Very high	139 Å²	139	56 Å²	56	65%	0.65	30%	0.302	S	S	*	.			trans	-70	151.5	178	-58.3	-176.9	-7.7	0	0	111.6	L84 E85 V86	Q82-L84 VanDerWaalsContact C-N 3.32Å; Q82-L84 PolarHBondContact O-N 2.79Å; Q82-E85 HydrophobicContact CB-CB 4.49Å; Q82-E85 HydrophobicContact CB-CG 4.02Å; Q82-E85 WeakPolarHBondContact CB-OE2 3.39Å; Q82-E85 PolarHBondContact N-OE2 2.87Å; Q82-E85 WeakPolarHBondContact O-CB 3.47Å; Q82-E85 PolarHBondContact O-N 2.79Å; Q82-V86 PolarHBondContact O-N 3.44Å
83	F	96.1	Very high	93.8	Very high	87 Å²	87	57.3 Å²	57.3	38%	0.382	31%	0.307	S	S	.	.	H	α-helix	trans	-52.3	-46.7	-179.4	-178.6	-85.8	0	0	0	113	V69 T72 E85 V86 L87	V69-F83 HydrophobicContact CG1-CE2 4.39Å; V69-F83 HydrophobicContact CG1-CZ 4.46Å; T72-F83 HydrophobicContact CG2-CD1 4.19Å; T72-F83 HydrophobicContact CG2-CD2 3.73Å; T72-F83 HydrophobicContact CG2-CE1 4Å; T72-F83 HydrophobicContact CG2-CE2 3.54Å; T72-F83 HydrophobicContact CG2-CG 4.06Å; T72-F83 HydrophobicContact CG2-CZ 3.68Å; F83-E85 VanDerWaalsContact C-N 3.26Å; F83-E85 PolarHBondContact O-N 2.95Å; F83-V86 PolarHBondContact O-N 3.01Å; F83-L87 HydrophobicContact CE1-CD1 4.08Å
84	L	96.1	Very high	93.9	Very high	117 Å²	117	57.4 Å²	57.4	61%	0.613	30%	0.302	S	S	*	.	H	α-helix	trans	-65.7	-28.3	179	-177.4	59.9	0	0	0	112.6	Q82 L87 S88	Q82-L84 VanDerWaalsContact C-N 3.32Å; Q82-L84 PolarHBondContact O-N 2.79Å; L84-L87 PolarHBondContact O-N 2.9Å; L84-S88 WeakPolarHBondContact O-CB 3.45Å; L84-S88 PolarHBondContact O-N 3.2Å; L84-S88 PolarHBondContact O-OG 3.21Å
85	E	95.9	Very high	94	Very high	36 Å²	36	56.9 Å²	56.9	17%	0.168	30%	0.3	C	S	.	.	H	α-helix	trans	-74	-27.9	-179.9	-64.1	-176.4	116	0	0	112.7	I81 Q82 F83 L87 R89 F93	I81-E85 HydrophobicContact CB-CB 4.4Å; I81-E85 HydrophobicContact CD1-CB 4.2Å; I81-E85 HydrophobicContact CG1-CB 4.41Å; Q82-E85 HydrophobicContact CB-CB 4.49Å; Q82-E85 HydrophobicContact CB-CG 4.02Å; Q82-E85 WeakPolarHBondContact CB-OE2 3.39Å; Q82-E85 PolarHBondContact N-OE2 2.87Å; Q82-E85 WeakPolarHBondContact O-CB 3.47Å; Q82-E85 PolarHBondContact O-N 2.79Å; F83-E85 VanDerWaalsContact C-N 3.26Å; F83-E85 PolarHBondContact O-N 2.95Å; E85-L87 PolarHBondContact O-N 3.27Å; E85-R89 HydrophobicContact CB-CG 3.76Å; E85-R89 HydrophobicContact CG-CG 4.03Å; E85-R89 WeakPolarHBondContact O-CA 3.36Å; E85-R89 VanDerWaalsContact O-CB 3.28Å; E85-R89 WeakPolarHBondContact O-CB 3.27Å; E85-R89 PolarHBondContact O-N 3.11Å; E85-R89 IonicContact OE1-NH1 3.88Å; E85-R89 PolarHBondContact OE1-NH1 3.33Å; E85-R89 VanDerWaalsContact OE1-NH1 3.11Å; E85-F93 HydrophobicContact CB-CD1 4.5Å; E85-F93 HydrophobicContact CB-CE1 3.93Å; E85-F93 HydrophobicContact CG-CE1 4.19Å; E85-F93 VanDerWaalsContact OE1-CE1 3.23Å; E85-F93 WeakPolarHBondContact OE1-CE1 3.14Å; E85-F93 WeakPolarHBondContact OE1-CZ 3.35Å; E85-F93 WeakPolarHBondContact OE2-CE1 3.48Å
86	V	93.6	Very high	94.1	Very high	9 Å²	9	56.5 Å²	56.5	6%	0.055	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-34.3	170.6	-179.9	0	0	0	0	111.2	T72 M75 A76 I81 Q82 F83 R94	T72-V86 HydrophobicContact CG2-CB 3.79Å; T72-V86 HydrophobicContact CG2-CG1 3.86Å; T72-V86 HydrophobicContact CG2-CG2 4.41Å; M75-V86 HydrophobicContact CB-CG1 3.81Å; M75-V86 HydrophobicContact CB-CG2 4.38Å; M75-V86 HydrophobicContact SD-CG1 4.32Å; A76-V86 HydrophobicContact CB-CG2 3.74Å; I81-V86 HydrophobicContact CD1-CG2 3.83Å; I81-V86 HydrophobicContact CG1-CG2 3.79Å; Q82-V86 PolarHBondContact O-N 3.44Å; F83-V86 PolarHBondContact O-N 3.01Å; V86-R94 PolarHBondContact O-NH2 3.15Å
87	L	92.1	Very high	94.1	Very high	105 Å²	105	57 Å²	57	55%	0.55	30%	0.301	S	S	.	.	H	α-helix	trans	-87.7	-35.2	-179.6	-59.5	176.6	0	0	0	112.8	T72 F83 L84 E85	T72-L87 HydrophobicContact CG2-CD1 4.28Å; T72-L87 HydrophobicContact CG2-CD2 3.93Å; T72-L87 HydrophobicContact CG2-CG 3.84Å; F83-L87 HydrophobicContact CE1-CD1 4.08Å; L84-L87 PolarHBondContact O-N 2.9Å; E85-L87 PolarHBondContact O-N 3.27Å
88	S	93.8	Very high	94.2	Very high	77 Å²	77	50.3 Å²	50.3	54%	0.538	28%	0.277	S	S	.	.	H	α-helix	trans	-101.3	-20.5	-171.3	59.8	0	0	0	0	115.3	L84	L84-S88 WeakPolarHBondContact O-CB 3.45Å; L84-S88 PolarHBondContact O-N 3.2Å; L84-S88 PolarHBondContact O-OG 3.21Å
89	R	93.5	Very high	94.3	Very high	88 Å²	88	48 Å²	48	33%	0.332	27%	0.265	S	S	.	.	S	Bend	trans	-108.3	141.6	-174.8	-48.3	-65.3	-68.9	-69.3	8.1	112.2	E85 F93 R94	E85-R89 HydrophobicContact CB-CG 3.76Å; E85-R89 HydrophobicContact CG-CG 4.03Å; E85-R89 WeakPolarHBondContact O-CA 3.36Å; E85-R89 VanDerWaalsContact O-CB 3.28Å; E85-R89 WeakPolarHBondContact O-CB 3.27Å; E85-R89 PolarHBondContact O-N 3.11Å; E85-R89 IonicContact OE1-NH1 3.88Å; E85-R89 PolarHBondContact OE1-NH1 3.33Å; E85-R89 VanDerWaalsContact OE1-NH1 3.11Å; R89-F93 HydrophobicContact CB-CB 4.21Å; R89-F93 HydrophobicContact CB-CD1 3.82Å; R89-F93 HydrophobicContact CB-CG 4.28Å; R89-F93 HydrophobicContact CG-CD1 4.01Å; R89-F93 HydrophobicContact CG-CE1 4.35Å; R89-R94 PolarHBondContact O-NH2 3.02Å
90	G	92.1	Very high	94.4	Very high	52 Å²	52	51.4 Å²	51.4	54%	0.536	28%	0.283	S	S	.	.			trans	-70.2	175.5	178.3	0	0	0	0	0	114.6	Q92 F93	G90-Q92 PolarHBondContact O-N 3.45Å; G90-F93 PolarHBondContact O-N 3.02Å
91	S	92.9	Very high	94.4	Very high	54 Å²	54	55.9 Å²	55.9	38%	0.378	29%	0.289	S	S	.	.	H	α-helix	trans	-55.8	-41.6	-175.7	48	0	0	0	0	114.6	F93 R94 V95	S91-F93 VanDerWaalsContact C-N 3.29Å; S91-F93 PolarHBondContact O-N 2.84Å; S91-R94 WeakPolarHBondContact O-CB 3.23Å; S91-R94 PolarHBondContact O-N 2.71Å; S91-V95 PolarHBondContact O-N 3.38Å; S91-V95 VanDerWaalsContact O-N 3.16Å
92	Q	93.1	Very high	94.4	Very high	39 Å²	39	56.4 Å²	56.4	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-54.5	-43	-177.4	-67.4	172.5	-15.8	0	0	112.8	G90 R94 V95 E96 Y263	G90-Q92 PolarHBondContact O-N 3.45Å; Q92-R94 PolarHBondContact O-N 3.05Å; Q92-V95 PolarHBondContact O-N 3.29Å; Q92-E96 WeakPolarHBondContact O-CG 3.29Å; Q92-E96 PolarHBondContact O-N 3.4Å; Q92-Y263 HydrophobicContact CB-CD2 4.05Å; Q92-Y263 HydrophobicContact CB-CE2 4.27Å; Q92-Y263 HydrophobicContact CG-CD2 4.11Å
93	F	94.2	Very high	94.3	Very high	38 Å²	38	50.3 Å²	50.3	17%	0.167	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-31.7	179	-178.5	-113.3	0	0	0	112.2	I81 E85 R89 G90 S91 S97	I81-F93 HydrophobicContact CB-CE1 4.05Å; I81-F93 HydrophobicContact CD1-CD1 4.36Å; I81-F93 HydrophobicContact CD1-CE1 4.38Å; I81-F93 HydrophobicContact CG2-CD1 4.22Å; I81-F93 HydrophobicContact CG2-CE1 3.67Å; I81-F93 HydrophobicContact CG2-CZ 4.29Å; E85-F93 HydrophobicContact CB-CD1 4.5Å; E85-F93 HydrophobicContact CB-CE1 3.93Å; E85-F93 HydrophobicContact CG-CE1 4.19Å; E85-F93 VanDerWaalsContact OE1-CE1 3.23Å; E85-F93 WeakPolarHBondContact OE1-CE1 3.14Å; E85-F93 WeakPolarHBondContact OE1-CZ 3.35Å; E85-F93 WeakPolarHBondContact OE2-CE1 3.48Å; R89-F93 HydrophobicContact CB-CB 4.21Å; R89-F93 HydrophobicContact CB-CD1 3.82Å; R89-F93 HydrophobicContact CB-CG 4.28Å; R89-F93 HydrophobicContact CG-CD1 4.01Å; R89-F93 HydrophobicContact CG-CE1 4.35Å; G90-F93 PolarHBondContact O-N 3.02Å; S91-F93 VanDerWaalsContact C-N 3.29Å; S91-F93 PolarHBondContact O-N 2.84Å; F93-S97 WeakPolarHBondContact O-CB 3.28Å; F93-S97 PolarHBondContact O-N 2.97Å
94	R	94.5	Very high	94.3	Very high	33 Å²	33	54.2 Å²	54.2	13%	0.125	28%	0.282	C	S	.	.	H	α-helix	trans	-73.3	-41	179.3	-46.7	177	-169.3	-158.8	-4.4	111.2	F79 I81 V86 R89 S91 Q92 S97 I256	F79-R94 HydrophobicContact CD2-CB 4.23Å; F79-R94 HydrophobicContact CD2-CG 4.15Å; F79-R94 HydrophobicContact CE2-CG 4.48Å; F79-R94 HydrophobicContact CG-CB 4.3Å; I81-R94 HydrophobicContact CD1-CG 4.2Å; V86-R94 PolarHBondContact O-NH2 3.15Å; R89-R94 PolarHBondContact O-NH2 3.02Å; S91-R94 WeakPolarHBondContact O-CB 3.23Å; S91-R94 PolarHBondContact O-N 2.71Å; Q92-R94 PolarHBondContact O-N 3.05Å; R94-S97 PolarHBondContact O-N 3.41Å; R94-I256 HydrophobicContact CB-CD1 3.54Å
95	V	94.4	Very high	94.2	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-50.3	174.1	178.7	0	0	0	0	110.4	S91 Q92 S97 I98 M99 M221 V259 Y263	S91-V95 PolarHBondContact O-N 3.38Å; S91-V95 VanDerWaalsContact O-N 3.16Å; Q92-V95 PolarHBondContact O-N 3.29Å; V95-S97 VanDerWaalsContact C-N 3.28Å; V95-S97 PolarHBondContact O-N 2.91Å; V95-I98 PolarHBondContact O-N 3.04Å; V95-M99 VanDerWaalsContact O-CB 3.29Å; V95-M99 WeakPolarHBondContact O-CB 3.18Å; V95-M99 PolarHBondContact O-N 3.4Å; V95-M221 HydrophobicContact CG1-CE 4.45Å; V95-V259 HydrophobicContact CG2-CG2 3.57Å; V95-Y263 HydrophobicContact CB-CD2 4.31Å; V95-Y263 HydrophobicContact CB-CG 4.38Å; V95-Y263 HydrophobicContact CG1-CD1 4.28Å; V95-Y263 HydrophobicContact CG1-CD2 4.34Å; V95-Y263 HydrophobicContact CG1-CG 3.96Å
96	E	93.9	Very high	94.1	Very high	22 Å²	22	56.8 Å²	56.8	10%	0.103	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-40.8	177.3	-75.8	175	163.2	0	0	112.7	Q92 I98 M99 L100 Y263 R271	Q92-E96 WeakPolarHBondContact O-CG 3.29Å; Q92-E96 PolarHBondContact O-N 3.4Å; E96-I98 PolarHBondContact O-N 3.46Å; E96-M99 HydrophobicContact CG-CE 4.45Å; E96-M99 PolarHBondContact O-N 3.49Å; E96-L100 HydrophobicContact CB-CD1 4.07Å; E96-L100 HydrophobicContact CB-CG 4.41Å; E96-L100 WeakPolarHBondContact O-CB 3.29Å; E96-L100 VanDerWaalsContact O-CG 3.23Å; E96-L100 WeakPolarHBondContact O-CG 3.24Å; E96-L100 PolarHBondContact O-N 3.38Å; E96-Y263 HydrophobicContact CG-CE2 3.49Å; E96-Y263 VanDerWaalsContact CG-CE2 3.49Å; E96-Y263 VanDerWaalsContact CG-OH 3.26Å; E96-Y263 WeakPolarHBondContact CG-OH 3.4Å; E96-Y263 WeakPolarHBondContact OE1-CE2 3.48Å; E96-Y263 PolarHBondContact OE1-OH 3.38Å; E96-R271 VanDerWaalsContact CD-CD 3.44Å; E96-R271 WeakPolarHBondContact OE1-CB 3.1Å; E96-R271 WeakPolarHBondContact OE1-CD 3.49Å; E96-R271 WeakPolarHBondContact OE2-CD 3.47Å; E96-R271 IonicContact OE2-CZ 2.66Å; E96-R271 IonicContact OE2-NE 3.45Å; E96-R271 IonicContact OE2-NH1 3.54Å; E96-R271 PolarHBondContact OE2-NH1 2.98Å
97	S	94.7	Very high	94.1	Very high	22 Å²	22	59.5 Å²	59.5	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-30.4	-178.2	-137.4	0	0	0	0	113.5	F79 I81 F93 R94 V95 R101	F79-S97 WeakPolarHBondContact O-CB 3.48Å; I81-S97 WeakPolarHBondContact CG2-OG 3.44Å; F93-S97 WeakPolarHBondContact O-CB 3.28Å; F93-S97 PolarHBondContact O-N 2.97Å; R94-S97 PolarHBondContact O-N 3.41Å; V95-S97 VanDerWaalsContact C-N 3.28Å; V95-S97 PolarHBondContact O-N 2.91Å; S97-R101 PolarHBondContact O-NE 3.05Å; S97-R101 PolarHBondContact O-NH2 3.08Å; S97-R101 VanDerWaalsContact O-NH2 3.11Å; S97-R101 PolarHBondContact OG-NH2 3.14Å
98	I	94.9	Very high	94.3	Very high	30 Å²	30	57.9 Å²	57.9	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-87.8	-54.9	176.4	-58.5	167	0	0	0	109.1	F79 V95 E96 L100 R101 M102 M221 I256	F79-I98 HydrophobicContact CD1-CD1 4.22Å; V95-I98 PolarHBondContact O-N 3.04Å; E96-I98 PolarHBondContact O-N 3.46Å; I98-L100 VanDerWaalsContact C-N 3.34Å; I98-L100 PolarHBondContact O-N 3.43Å; I98-R101 WeakPolarHBondContact O-CB 3.19Å; I98-R101 PolarHBondContact O-N 3.42Å; I98-M102 HydrophobicContact CG2-SD 4.24Å; I98-M102 PolarHBondContact O-N 3.44Å; I98-M102 VanDerWaalsContact O-N 3.17Å; I98-M221 HydrophobicContact CB-SD 4.02Å; I98-M221 HydrophobicContact CG2-CG 3.7Å; I98-M221 HydrophobicContact CG2-SD 3.7Å; I98-I256 HydrophobicContact CD1-CD1 4.36Å; I98-I256 HydrophobicContact CD1-CG1 4.14Å; I98-I256 HydrophobicContact CD1-CG2 4.06Å
99	M	95.1	Very high	94.3	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.034	34%	0.337	C	S	.	.	H	α-helix	trans	-54.8	-43.9	-177.2	-177.6	-171.9	70.9	0	0	112.8	V95 E96 R101 M102 A103 F162 I217 L218 M221 Y263 M272	V95-M99 VanDerWaalsContact O-CB 3.29Å; V95-M99 WeakPolarHBondContact O-CB 3.18Å; V95-M99 PolarHBondContact O-N 3.4Å; E96-M99 HydrophobicContact CG-CE 4.45Å; E96-M99 PolarHBondContact O-N 3.49Å; M99-R101 VanDerWaalsContact C-N 3.33Å; M99-R101 PolarHBondContact O-N 2.69Å; M99-M102 PolarHBondContact O-N 3.2Å; M99-A103 WeakPolarHBondContact O-CB 3.46Å; M99-A103 PolarHBondContact O-N 2.92Å; M99-F162 HydrophobicContact SD-CD2 4.33Å; M99-F162 HydrophobicContact SD-CE2 4.01Å; M99-I217 HydrophobicContact CG-CG2 4.12Å; M99-L218 HydrophobicContact CG-CD2 4.24Å; M99-L218 HydrophobicContact SD-CD2 3.89Å; M99-M221 HydrophobicContact CB-SD 4.06Å; M99-Y263 HydrophobicContact CE-CE1 3.82Å; M99-Y263 HydrophobicContact SD-CE1 4.22Å; M99-M272 HydrophobicContact CE-CE 3.7Å; M99-M272 HydrophobicContact SD-CE 4.21Å
100	L	95.1	Very high	94.3	Very high	74 Å²	74	58.9 Å²	58.9	39%	0.387	34%	0.339	S	S	.	.	H	α-helix	trans	-72.6	-24.8	-179.6	-63.7	176.4	0	0	0	112.9	E96 I98 K104 A110	E96-L100 HydrophobicContact CB-CD1 4.07Å; E96-L100 HydrophobicContact CB-CG 4.41Å; E96-L100 WeakPolarHBondContact O-CB 3.29Å; E96-L100 VanDerWaalsContact O-CG 3.23Å; E96-L100 WeakPolarHBondContact O-CG 3.24Å; E96-L100 PolarHBondContact O-N 3.38Å; I98-L100 VanDerWaalsContact C-N 3.34Å; I98-L100 PolarHBondContact O-N 3.43Å; L100-K104 WeakPolarHBondContact O-CB 3.36Å; L100-K104 PolarHBondContact O-N 3.26Å; L100-A110 HydrophobicContact CD2-CB 3.42Å; L100-A110 VanDerWaalsContact CD2-CB 3.42Å
101	R	95.2	Very high	94.3	Very high	127 Å²	127	59 Å²	59	48%	0.479	33%	0.327	S	S	.	.	H	α-helix	trans	-71.5	-44.7	173.4	-95.3	-179	-88.7	-130.3	-8.9	111.3	F79 G80 S97 I98 M99 K104 A105	F79-R101 PolarHBondContact O-NH2 2.79Å; G80-R101 VanDerWaalsContact C-NH2 3.28Å; G80-R101 PolarHBondContact O-NH1 3.27Å; G80-R101 PolarHBondContact O-NH2 2.9Å; S97-R101 PolarHBondContact O-NE 3.05Å; S97-R101 PolarHBondContact O-NH2 3.08Å; S97-R101 VanDerWaalsContact O-NH2 3.11Å; S97-R101 PolarHBondContact OG-NH2 3.14Å; I98-R101 WeakPolarHBondContact O-CB 3.19Å; I98-R101 PolarHBondContact O-N 3.42Å; M99-R101 VanDerWaalsContact C-N 3.33Å; M99-R101 PolarHBondContact O-N 2.69Å; R101-K104 PolarHBondContact O-N 2.97Å; R101-A105 PolarHBondContact O-N 3.24Å
102	M	94.5	Very high	94.2	Very high	27 Å²	27	61.9 Å²	61.9	13%	0.133	35%	0.347	C	S	.	.	H	α-helix	trans	-65	-48.3	174.4	-59.8	-179.9	78.7	0	0	110.9	I98 M99 K104 A105 E106 I217 E220 M221	I98-M102 HydrophobicContact CG2-SD 4.24Å; I98-M102 PolarHBondContact O-N 3.44Å; I98-M102 VanDerWaalsContact O-N 3.17Å; M99-M102 PolarHBondContact O-N 3.2Å; M102-K104 VanDerWaalsContact C-N 3.26Å; M102-K104 PolarHBondContact O-N 3.45Å; M102-A105 WeakPolarHBondContact O-CB 3.37Å; M102-A105 PolarHBondContact O-N 2.66Å; M102-E106 PolarHBondContact O-N 2.85Å; M102-I217 HydrophobicContact CB-CG2 4.03Å; M102-E220 HydrophobicContact CE-CB 4.11Å; M102-E220 HydrophobicContact CE-CG 3.69Å; M102-M221 HydrophobicContact CE-CB 4.19Å; M102-M221 HydrophobicContact SD-CB 3.49Å; M102-M221 WeakPolarHBondContact SD-CB 3.35Å; M102-M221 HydrophobicContact SD-CG 3.76Å
103	A	95.6	Very high	94.2	Very high	12 Å²	12	60.7 Å²	60.7	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-57.4	-36.9	176.1	0	0	0	0	0	112.9	M99 E106 G107 Y108	M99-A103 WeakPolarHBondContact O-CB 3.46Å; M99-A103 PolarHBondContact O-N 2.92Å; A103-E106 CarbonylContact O-C 3.54Å; A103-E106 PolarHBondContact O-N 3.41Å; A103-G107 PolarHBondContact O-N 3.3Å; A103-Y108 HydrophobicContact CB-CD2 4.49Å; A103-Y108 WeakPolarHBondContact O-CB 3.19Å; A103-Y108 PolarHBondContact O-N 3.01Å
104	K	95.8	Very high	94.1	Very high	169 Å²	169	62 Å²	62	74%	0.735	35%	0.354	S	S	*	.	H	α-helix	trans	-68.3	-36.4	175.7	-179.7	178.8	177.1	-176.6	0	112.9	L100 R101 M102 E106 G107	L100-K104 WeakPolarHBondContact O-CB 3.36Å; L100-K104 PolarHBondContact O-N 3.26Å; R101-K104 PolarHBondContact O-N 2.97Å; M102-K104 VanDerWaalsContact C-N 3.26Å; M102-K104 PolarHBondContact O-N 3.45Å; K104-E106 VanDerWaalsContact C-N 3.29Å; K104-E106 PolarHBondContact O-N 2.9Å; K104-G107 PolarHBondContact O-N 3.32Å
105	A	94.1	Very high	93.9	Very high	83 Å²	83	63.5 Å²	63.5	69%	0.686	37%	0.368	S	S	*	.	H	α-helix	trans	-61.7	-41.2	176.7	0	0	0	0	0	111	R101 M102 G107	R101-A105 PolarHBondContact O-N 3.24Å; M102-A105 WeakPolarHBondContact O-CB 3.37Å; M102-A105 PolarHBondContact O-N 2.66Å; A105-G107 VanDerWaalsContact C-N 3.28Å; A105-G107 PolarHBondContact O-N 2.88Å
106	E	93	Very high	93.7	Very high	123 Å²	123	67.2 Å²	67.2	58%	0.575	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	8.9	176.8	-64.7	-58	123.6	0	0	114.4	M102 A103 K104 Y108 I217	M102-E106 PolarHBondContact O-N 2.85Å; A103-E106 CarbonylContact O-C 3.54Å; A103-E106 PolarHBondContact O-N 3.41Å; K104-E106 VanDerWaalsContact C-N 3.29Å; K104-E106 PolarHBondContact O-N 2.9Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 HydrophobicContact CB-CD2 3.59Å; E106-Y108 HydrophobicContact CB-CE2 3.54Å; E106-Y108 HydrophobicContact CG-CE2 4.4Å; E106-Y108 PolarHBondContact O-N 3.34Å; E106-I217 HydrophobicContact CB-CD1 4.27Å; E106-I217 HydrophobicContact CG-CD1 3.99Å
107	G	94.7	Very high	93.5	Very high	66 Å²	66	68.9 Å²	68.9	68%	0.68	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	16.3	175.5	0	0	0	0	0	116.4	A103 K104 A105	A103-G107 PolarHBondContact O-N 3.3Å; K104-G107 PolarHBondContact O-N 3.32Å; A105-G107 VanDerWaalsContact C-N 3.28Å; A105-G107 PolarHBondContact O-N 2.88Å
108	Y	95.1	Very high	93.3	Very high	71 Å²	71	70.3 Å²	70.3	28%	0.278	40%	0.398	S	S	.	.			trans	-74.4	151.7	175.9	-68.9	-82	0	0	0	113.1	A103 E106 R214 I217	A103-Y108 HydrophobicContact CB-CD2 4.49Å; A103-Y108 WeakPolarHBondContact O-CB 3.19Å; A103-Y108 PolarHBondContact O-N 3.01Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 HydrophobicContact CB-CD2 3.59Å; E106-Y108 HydrophobicContact CB-CE2 3.54Å; E106-Y108 HydrophobicContact CG-CE2 4.4Å; E106-Y108 PolarHBondContact O-N 3.34Å; Y108-R214 WeakPolarHBondContact OH-CD 3.4Å; Y108-R214 PolarHBondContact OH-NH1 3.12Å; Y108-I217 HydrophobicContact CD2-CD1 4.09Å; Y108-I217 HydrophobicContact CD2-CG1 4.11Å; Y108-I217 HydrophobicContact CE2-CD1 3.81Å; Y108-I217 HydrophobicContact CE2-CG1 3.88Å
109	V	93.8	Very high	93	Very high	141 Å²	141	77.1 Å²	77.1	86%	0.855	42%	0.422	S	S	*	.			trans	-111.3	125.1	168.4	-178.1	0	0	0	0	108.9
110	A	93.1	Very high	92.7	Very high	45 Å²	45	86.8 Å²	86.8	37%	0.372	46%	0.458	S	S	.	.			trans	-82.5	145.1	179.9	0	0	0	0	0	112.4	L100 M272	L100-A110 HydrophobicContact CD2-CB 3.42Å; L100-A110 VanDerWaalsContact CD2-CB 3.42Å; A110-M272 HydrophobicContact CB-SD 4.27Å
111	L	92	Very high	92.3	Very high	56 Å²	56	84.3 Å²	84.3	29%	0.293	44%	0.444	S	S	.	.			trans	-75.5	133.8	174.7	-175.1	75.5	0	0	0	110.4	P113 C182 W183 M272	L111-P113 HydrophobicContact CD2-CB 4.23Å; L111-P113 HydrophobicContact CD2-CG 4.4Å; L111-P113 VanDerWaalsContact O-CD 3.27Å; L111-P113 WeakPolarHBondContact O-CD 3.49Å; L111-C182 HydrophobicContact CD2-CB 4.25Å; L111-W183 HydrophobicContact CD1-CB 4.34Å; L111-W183 HydrophobicContact CD1-CD2 3.82Å; L111-W183 HydrophobicContact CD1-CE3 3.57Å; L111-W183 HydrophobicContact CD1-CG 4.16Å; L111-W183 HydrophobicContact CD1-CZ3 4.13Å; L111-W183 HydrophobicContact CD2-CB 3.81Å; L111-W183 HydrophobicContact CD2-CG 4.5Å; L111-M272 HydrophobicContact CB-CG 4.26Å; L111-M272 HydrophobicContact CB-SD 4.11Å
112	S	92.3	Very high	92	Very high	113 Å²	113	81 Å²	81	79%	0.79	44%	0.44	S	S	*	.			trans	-112.1	79.7	170.3	-65	0	0	0	0	110.3
113	P	91.6	Very high	91.8	Very high	15 Å²	15	83 Å²	83	10%	0.097	46%	0.462	C	S	.	.			trans	-69.5	141.7	-176.3	30.4	-36.7	0	0	0	112.9	L111 Q117 R118 C182 R271	L111-P113 HydrophobicContact CD2-CB 4.23Å; L111-P113 HydrophobicContact CD2-CG 4.4Å; L111-P113 VanDerWaalsContact O-CD 3.27Å; L111-P113 WeakPolarHBondContact O-CD 3.49Å; P113-Q117 VanDerWaalsContact CA-OE1 3.31Å; P113-Q117 HydrophobicContact CB-CB 4.13Å; P113-R118 HydrophobicContact CB-CG 4.2Å; P113-R118 HydrophobicContact CG-CG 4.18Å; P113-C182 HydrophobicContact CB-CB 3.41Å; P113-C182 VanDerWaalsContact CB-CB 3.41Å; P113-C182 HydrophobicContact CG-CB 3.94Å; P113-R271 WeakPolarHBondContact CD-O 3.37Å; P113-R271 WeakPolarHBondContact CG-O 3.17Å
114	T	91.9	Very high	91.5	Very high	66 Å²	66	85.6 Å²	85.6	41%	0.405	48%	0.478	S	S	.	.			trans	-71.9	162	174.8	71	0	0	0	0	111.7	D116 Q117 R118	T114-D116 PolarHBondContact O-N 3.01Å; T114-D116 PolarHBondContact OG1-N 2.82Å; T114-Q117 PolarHBondContact O-N 3.38Å; T114-Q117 VanDerWaalsContact O-N 3.15Å; T114-Q117 PolarHBondContact OG1-N 3.37Å; T114-Q117 PolarHBondContact OG1-OE1 2.93Å; T114-R118 PolarHBondContact O-N 3.36Å; T114-R118 VanDerWaalsContact O-N 3.1Å
115	P	90.4	Very high	91.3	Very high	64 Å²	64	83.4 Å²	83.4	42%	0.416	47%	0.47	S	S	.	.	H	α-helix	trans	-53.5	-34.1	170.6	-27.6	36.6	0	0	0	114	R119	P115-R119 WeakPolarHBondContact O-CG 3.32Å; P115-R119 PolarHBondContact O-N 3.25Å; P115-R119 VanDerWaalsContact O-N 3.12Å
116	D	90.5	Very high	91.3	Very high	79 Å²	79	80.6 Å²	80.6	42%	0.422	45%	0.445	S	S	.	.	H	α-helix	trans	-71.6	-38.9	176.1	-70.8	-59.6	0	0	0	113.5	T114 R118 R119 R120	T114-D116 PolarHBondContact O-N 3.01Å; T114-D116 PolarHBondContact OG1-N 2.82Å; D116-R118 VanDerWaalsContact C-N 3.34Å; D116-R119 VanDerWaalsContact CG-NH2 3.3Å; D116-R119 PolarHBondContact O-N 2.93Å; D116-R119 IonicContact OD1-CZ 3.36Å; D116-R119 IonicContact OD1-NE 2.68Å; D116-R119 PolarHBondContact OD1-NE 3.39Å; D116-R119 IonicContact OD1-NH2 3.26Å; D116-R119 PolarHBondContact OD1-NH2 3.36Å; D116-R119 IonicContact OD2-NH2 3.46Å; D116-R120 WeakPolarHBondContact O-CG 3.31Å; D116-R120 PolarHBondContact O-N 3.49Å
117	Q	91	Very high	91.2	Very high	56 Å²	56	80.5 Å²	80.5	26%	0.262	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-43.1	175.1	-75.8	170.8	-43.2	0	0	111.1	P113 T114 R119 R120 M121 C182	P113-Q117 VanDerWaalsContact CA-OE1 3.31Å; P113-Q117 HydrophobicContact CB-CB 4.13Å; T114-Q117 PolarHBondContact O-N 3.38Å; T114-Q117 VanDerWaalsContact O-N 3.15Å; T114-Q117 PolarHBondContact OG1-N 3.37Å; T114-Q117 PolarHBondContact OG1-OE1 2.93Å; Q117-R119 PolarHBondContact O-N 2.9Å; Q117-R120 PolarHBondContact O-N 3.45Å; Q117-M121 PolarHBondContact O-N 3.06Å; Q117-C182 HydrophobicContact CB-CB 4.33Å
118	R	90.6	Very high	91.2	Very high	52 Å²	52	78.5 Å²	78.5	20%	0.196	42%	0.424	C	S	.	.	H	α-helix	trans	-63	-38	175.7	-63.7	-177.9	-58.7	163	8.6	113	P113 T114 D116 R120 M121 S269 G270 P273	P113-R118 HydrophobicContact CB-CG 4.2Å; P113-R118 HydrophobicContact CG-CG 4.18Å; T114-R118 PolarHBondContact O-N 3.36Å; T114-R118 VanDerWaalsContact O-N 3.1Å; D116-R118 VanDerWaalsContact C-N 3.34Å; R118-R120 VanDerWaalsContact C-N 3.28Å; R118-R120 PolarHBondContact O-N 2.91Å; R118-M121 WeakPolarHBondContact O-CB 3.49Å; R118-M121 PolarHBondContact O-N 3.44Å; R118-S269 PolarHBondContact NH1-O 2.75Å; R118-G270 WeakPolarHBondContact CD-O 3.3Å; R118-G270 PolarHBondContact NH1-O 2.89Å; R118-P273 HydrophobicContact CG-CG 4.31Å
119	R	87.6	Confident	91	Very high	174 Å²	174	76.1 Å²	76.1	66%	0.657	42%	0.416	S	S	*	.	H	α-helix	trans	-67.8	-23.4	175.7	-79.7	-173	-72	-105.5	7.8	114.1	P115 D116 Q117	P115-R119 WeakPolarHBondContact O-CG 3.32Å; P115-R119 PolarHBondContact O-N 3.25Å; P115-R119 VanDerWaalsContact O-N 3.12Å; D116-R119 VanDerWaalsContact CG-NH2 3.3Å; D116-R119 PolarHBondContact O-N 2.93Å; D116-R119 IonicContact OD1-CZ 3.36Å; D116-R119 IonicContact OD1-NE 2.68Å; D116-R119 PolarHBondContact OD1-NE 3.39Å; D116-R119 IonicContact OD1-NH2 3.26Å; D116-R119 PolarHBondContact OD1-NH2 3.36Å; D116-R119 IonicContact OD2-NH2 3.46Å; Q117-R119 PolarHBondContact O-N 2.9Å
120	R	88	Confident	90.9	Very high	210 Å²	210	71.9 Å²	71.9	79%	0.792	39%	0.388	S	S	*	.	H	α-helix	trans	-92	-13.7	179.4	-67.5	175.7	-162.3	-149.2	5.2	113.7	D116 Q117 R118	D116-R120 WeakPolarHBondContact O-CG 3.31Å; D116-R120 PolarHBondContact O-N 3.49Å; Q117-R120 PolarHBondContact O-N 3.45Å; R118-R120 VanDerWaalsContact C-N 3.28Å; R118-R120 PolarHBondContact O-N 2.91Å
121	M	88.5	Confident	90.9	Very high	21 Å²	21	72 Å²	72	10%	0.103	38%	0.382	C	S	.	.	S	Bend	trans	-60.1	146.5	172.7	-178.7	176	62.9	0	0	110.1	Q117 R118 G181 N267 P273 V275	Q117-M121 PolarHBondContact O-N 3.06Å; R118-M121 WeakPolarHBondContact O-CB 3.49Å; R118-M121 PolarHBondContact O-N 3.44Å; M121-G181 WeakPolarHBondContact CB-O 3.47Å; M121-G181 VanDerWaalsContact CG-O 3.23Å; M121-G181 WeakPolarHBondContact CG-O 3.08Å; M121-N267 HydrophobicContact CE-CB 3.83Å; M121-N267 WeakPolarHBondContact CE-ND2 3.36Å; M121-N267 WeakPolarHBondContact CE-OD1 3.36Å; M121-P273 HydrophobicContact CE-CB 3.98Å; M121-P273 HydrophobicContact CE-CG 3.86Å; M121-P273 HydrophobicContact SD-CB 4.42Å; M121-P273 HydrophobicContact SD-CG 4.34Å; M121-V275 HydrophobicContact CE-CG2 4.01Å; M121-V275 HydrophobicContact CG-CG2 4.23Å; M121-V275 HydrophobicContact SD-CB 4.45Å; M121-V275 HydrophobicContact SD-CG2 3.98Å
122	S	87.2	Confident	90.7	Very high	57 Å²	57	74.9 Å²	74.9	40%	0.399	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-53.4	154.4	173	-54.6	0	0	0	0	112.4	N267 V275	S122-N267 PolarHBondContact O-ND2 3.13Å; S122-V275 WeakPolarHBondContact O-CG2 3.31Å
123	A	90.3	Very high	90.6	Very high	71 Å²	71	70 Å²	70	59%	0.587	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-71.7	154.7	165.5	0	0	0	0	0	110.2
124	P	90.6	Very high	90.3	Very high	66 Å²	66	74.6 Å²	74.6	43%	0.429	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-67.2	133.7	170.7	-9.8	27.5	0	0	0	109.6	N267 V275 D279	P124-N267 WeakPolarHBondContact CD-ND2 3.49Å; P124-V275 HydrophobicContact CG-CG2 4.26Å; P124-D279 WeakPolarHBondContact CB-OD1 3.18Å
125	E	91.5	Very high	90.2	Very high	123 Å²	123	75 Å²	75	58%	0.575	39%	0.385	S	S	*	.			trans	-96.1	-23.7	-178.1	-71.2	158.2	-154.3	0	0	111.7	K168 D279	E125-K168 IonicContact OE1-NZ 3.36Å; E125-K168 PolarHBondContact OE1-NZ 3.14Å; E125-K168 IonicContact OE2-NZ 2.82Å; E125-K168 PolarHBondContact OE2-NZ 3.24Å; E125-D279 PolarHBondContact N-OD1 3.08Å; E125-D279 PolarHBondContact N-OD2 2.97Å
126	C	92.9	Very high	90.2	Very high	24 Å²	24	74.1 Å²	74.1	16%	0.162	38%	0.376	C	S	.	.			trans	-100	140.4	-170.3	-62.7	0	0	0	0	113.2	D279 V282 Q283	C126-D279 HydrophobicContact CB-CB 3.92Å; C126-D279 WeakPolarHBondContact CB-OD1 3.28Å; C126-D279 PolarHBondContact N-OD1 3.48Å; C126-D279 VanDerWaalsContact N-OD1 3.13Å; C126-V282 HydrophobicContact CB-CB 4.31Å; C126-V282 HydrophobicContact CB-CG1 4.14Å; C126-Q283 HydrophobicContact CB-CB 4.19Å
127	I	92.7	Very high	90.3	Very high	121 Å²	121	74.4 Å²	74.4	62%	0.621	37%	0.373	S	S	*	.			trans	-122.4	141.8	176.9	62.9	171.8	0	0	0	111.9	V282	I127-V282 VanDerWaalsContact C-CG1 3.42Å
128	A	92.8	Very high	90.5	Very high	23 Å²	23	71.8 Å²	71.8	19%	0.19	36%	0.361	C	S	.	.			trans	-62.5	144.3	174.7	0	0	0	0	0	111.6	N130 V282 T311	A128-N130 PolarHBondContact O-N 3.01Å; A128-N130 PolarHBondContact O-ND2 3.49Å; A128-N130 VanDerWaalsContact O-ND2 3.16Å; A128-V282 HydrophobicContact CB-CG1 4.41Å; A128-T311 HydrophobicContact CB-CG2 4.04Å
129	L	92.2	Very high	90.6	Very high	22 Å²	22	73.1 Å²	73.1	12%	0.115	38%	0.379	C	S	.	.			trans	-68.8	120.3	176.3	-179.1	65	0	0	0	110.4	M131 R286 L289 E290 I293 T311	L129-M131 HydrophobicContact CG-CG 4.4Å; L129-R286 HydrophobicContact CB-CG 4.16Å; L129-L289 HydrophobicContact CB-CD2 4.39Å; L129-L289 HydrophobicContact CD2-CB 4.5Å; L129-L289 HydrophobicContact CD2-CD2 3.98Å; L129-L289 HydrophobicContact CD2-CG 4.09Å; L129-E290 HydrophobicContact CD2-CG 3.79Å; L129-I293 HydrophobicContact CD2-CD1 3.86Å; L129-T311 WeakPolarHBondContact O-CA 3.39Å; L129-T311 PolarHBondContact O-N 2.67Å
130	N	91.8	Very high	91	Very high	51 Å²	51	67.3 Å²	67.3	27%	0.273	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-130.7	99.6	170.6	-64.4	-77.5	0	0	0	107.6	A128 D310 T311 K361	A128-N130 PolarHBondContact O-N 3.01Å; A128-N130 PolarHBondContact O-ND2 3.49Å; A128-N130 VanDerWaalsContact O-ND2 3.16Å; N130-D310 PolarHBondContact OD1-OD1 2.85Å; N130-T311 PolarHBondContact OD1-OG1 2.86Å; N130-K361 HydrophobicContact CB-CD 4.1Å; N130-K361 PolarHBondContact O-NZ 3.29Å
131	M	91.9	Very high	91.4	Very high	47 Å²	47	57.5 Å²	57.5	23%	0.232	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-62.7	151.5	178.1	-62.6	174	68.3	0	0	109.8	L129 I293 V306 Y308 G309 K361	L129-M131 HydrophobicContact CG-CG 4.4Å; M131-I293 HydrophobicContact SD-CD1 3.72Å; M131-V306 HydrophobicContact CE-CG1 4.14Å; M131-V306 HydrophobicContact SD-CG1 4.1Å; M131-Y308 HydrophobicContact CB-CD2 4.38Å; M131-Y308 WeakPolarHBondContact O-CE2 3.34Å; M131-G309 PolarHBondContact N-O 3.19Å; M131-K361 WeakPolarHBondContact O-CD 3.44Å; M131-K361 WeakPolarHBondContact O-CE 3.48Å
132	E	88.3	Confident	91.8	Very high	118 Å²	118	56.5 Å²	56.5	55%	0.551	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-83.6	123.4	162.8	-160.6	68.9	-111.2	0	0	107.4	K361	E132-K361 VanDerWaalsContact OE1-CG 3.27Å; E132-K361 WeakPolarHBondContact OE1-CG 3.38Å; E132-K361 WeakPolarHBondContact OE2-CE 3.46Å; E132-K361 IonicContact OE2-NZ 2.71Å; E132-K361 PolarHBondContact OE2-NZ 2.87Å
133	P	89.5	Confident	92.3	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.058	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-72.8	145.7	172.2	30.4	-31.5	0	0	0	110	S135 Y308 L358	P133-S135 PolarHBondContact O-N 2.95Å; P133-Y308 HydrophobicContact CB-CD2 3.68Å; P133-Y308 HydrophobicContact CB-CE2 4.39Å; P133-Y308 HydrophobicContact CB-CG 4.04Å; P133-Y308 HydrophobicContact CG-CD2 3.93Å; P133-Y308 HydrophobicContact CG-CE2 4.14Å; P133-L358 HydrophobicContact CB-CB 4.24Å; P133-L358 HydrophobicContact CB-CD1 4.4Å
134	E	86.7	Confident	92.7	Very high	113 Å²	113	50.8 Å²	50.8	53%	0.528	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-66.7	124.5	160.2	-67.5	170.4	-151.7	0	0	107.9	M136 K305	E134-M136 HydrophobicContact CB-SD 4.35Å; E134-M136 WeakPolarHBondContact O-CG 3.39Å; E134-M136 PolarHBondContact O-N 3.04Å; E134-M136 VanDerWaalsContact O-N 3.09Å; E134-K305 IonicContact OE1-NZ 3.74Å; E134-K305 PolarHBondContact OE1-NZ 3.01Å
135	S	90.1	Very high	93	Very high	73 Å²	73	47.7 Å²	47.7	51%	0.51	25%	0.251	S	S	.	.			trans	-68.8	103.6	179.5	-53.4	0	0	0	0	110	P133 L358 Q359	P133-S135 PolarHBondContact O-N 2.95Å; S135-L358 WeakPolarHBondContact CA-O 3.49Å; S135-Q359 PolarHBondContact OG-O 3.23Å
136	M	90.3	Very high	93.3	Very high	46 Å²	46	43.6 Å²	43.6	23%	0.227	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.9	-169.8	70.7	-173.2	-54.2	0	0	114.3	E134 Y140 V357 L358	E134-M136 HydrophobicContact CB-SD 4.35Å; E134-M136 WeakPolarHBondContact O-CG 3.39Å; E134-M136 PolarHBondContact O-N 3.04Å; E134-M136 VanDerWaalsContact O-N 3.09Å; M136-Y140 WeakPolarHBondContact CE-OH 3.12Å; M136-V357 WeakPolarHBondContact O-CA 3.45Å; M136-L358 PolarHBondContact N-O 3.42Å; M136-L358 PolarHBondContact O-N 3.03Å
137	F	93	Very high	93.4	Very high	86 Å²	86	42.5 Å²	42.5	38%	0.377	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.4	164.7	174	-111.8	0	0	0	109.7	P355 V357 F462	F137-P355 HydrophobicContact CE2-CB 3.72Å; F137-P355 HydrophobicContact CE2-CG 4.11Å; F137-P355 HydrophobicContact CZ-CB 3.89Å; F137-P355 HydrophobicContact CZ-CG 4.27Å; F137-V357 HydrophobicContact CD2-CG2 3.83Å; F137-F462 HydrophobicContact CB-CE1 4.22Å; F137-F462 HydrophobicContact CB-CZ 3.95Å; F137-F462 AromaticContact CD1-CE1 3.87Å; F137-F462 HydrophobicContact CD1-CE1 3.87Å; F137-F462 HydrophobicContact CD1-CZ 4.08Å; F137-F462 AromaticContact CD2-CZ 3.9Å; F137-F462 HydrophobicContact CD2-CZ 3.9Å; F137-F462 HydrophobicContact CE1-CE1 4.35Å; F137-F462 HydrophobicContact CE2-CZ 4.41Å; F137-F462 AromaticContact CG-CE1 3.95Å; F137-F462 HydrophobicContact CG-CE1 3.95Å; F137-F462 AromaticContact CG-CZ 3.71Å; F137-F462 HydrophobicContact CG-CZ 3.71Å
138	C	93.3	Very high	93.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	107.2	174.7	-61.6	0	0	0	0	109.3	Y140 V142 P355 C356	C138-Y140 VanDerWaalsContact C-N 3.33Å; C138-Y140 HydrophobicContact CB-CD2 4.31Å; C138-Y140 HydrophobicContact CB-CE2 3.89Å; C138-V142 HydrophobicContact CB-CG2 3.79Å; C138-P355 VanDerWaalsContact O-CA 3.31Å; C138-P355 WeakPolarHBondContact O-CA 3.23Å; C138-P355 WeakPolarHBondContact O-CB 3.28Å; C138-C356 PolarHBondContact N-O 3.17Å; C138-C356 PolarHBondContact O-N 2.94Å; C138-C356 VanDerWaalsContact O-N 3.1Å
139	S	93.9	Very high	93.3	Very high	81 Å²	81	41.1 Å²	41.1	57%	0.566	22%	0.215	S	C	*	.			trans	-80.2	-14.2	172.5	53.5	0	0	0	0	113.6	L354	S139-L354 WeakPolarHBondContact O-CD1 2.97Å
140	Y	94.8	Very high	93.5	Very high	52 Å²	52	40.3 Å²	40.3	20%	0.204	21%	0.211	C	C	.	.	S	Bend	trans	-99.4	166	179.1	49.2	-104.2	0	0	0	112	M136 C138 V142 A317 P319	M136-Y140 WeakPolarHBondContact CE-OH 3.12Å; C138-Y140 VanDerWaalsContact C-N 3.33Å; C138-Y140 HydrophobicContact CB-CD2 4.31Å; C138-Y140 HydrophobicContact CB-CE2 3.89Å; Y140-V142 HydrophobicContact CD2-CG2 4.25Å; Y140-V142 HydrophobicContact CE2-CG2 4.04Å; Y140-V142 PolarHBondContact O-N 3.2Å; Y140-A317 HydrophobicContact CD2-CB 4.43Å; Y140-A317 HydrophobicContact CE2-CB 3.66Å; Y140-P319 HydrophobicContact CD1-CB 4.27Å; Y140-P319 HydrophobicContact CG-CB 4.36Å
141	P	97.3	Very high	93.7	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.026	21%	0.205	C	C	.	.			trans	-59	131.8	177.6	-25.4	35.4	0	0	0	113.4	L318 R321 A326 V352 Y353 L354	P141-L318 PolarHBondContact O-N 2.88Å; P141-R321 WeakPolarHBondContact CD-O 3.31Å; P141-R321 VanDerWaalsContact CG-O 3.28Å; P141-R321 WeakPolarHBondContact CG-O 3.25Å; P141-A326 HydrophobicContact CB-CB 3.61Å; P141-A326 HydrophobicContact CG-CB 4.13Å; P141-V352 HydrophobicContact CB-CG1 3.79Å; P141-Y353 WeakPolarHBondContact CA-O 3.23Å; P141-L354 HydrophobicContact CG-CD1 4.24Å
142	V	97.6	Very high	93.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.8	168.6	177.3	0	0	0	0	108.6	C138 Y140 I307 F315 V316 Y353	C138-V142 HydrophobicContact CB-CG2 3.79Å; Y140-V142 HydrophobicContact CD2-CG2 4.25Å; Y140-V142 HydrophobicContact CE2-CG2 4.04Å; Y140-V142 PolarHBondContact O-N 3.2Å; V142-I307 HydrophobicContact CG1-CD1 4.01Å; V142-I307 HydrophobicContact CG1-CG1 4.48Å; V142-I307 HydrophobicContact CG2-CD1 3.9Å; V142-F315 HydrophobicContact CG1-CB 4Å; V142-F315 HydrophobicContact CG1-CD1 4.08Å; V142-F315 HydrophobicContact CG1-CG 4.49Å; V142-V316 CarbonylContact C-O 3.4Å; V142-V316 WeakPolarHBondContact CA-O 3.42Å; V142-Y353 PolarHBondContact N-O 3.32Å; V142-Y353 PolarHBondContact O-N 3.11Å
143	L	98	Very high	94.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	140.3	176.1	-47.5	178.2	0	0	0	110.1	L145 F315 V316 L318 A326 I329 I333 F349 V352	L143-L145 HydrophobicContact CB-CD1 3.72Å; L143-L145 HydrophobicContact CD1-CD1 4.32Å; L143-F315 CarbonylContact O-C 3.02Å; L143-F315 VanDerWaalsContact O-CA 3.28Å; L143-F315 WeakPolarHBondContact O-CA 3.43Å; L143-V316 HydrophobicContact CB-CB 4.1Å; L143-V316 HydrophobicContact CD1-CB 4.21Å; L143-V316 HydrophobicContact CD1-CG1 4.45Å; L143-V316 HydrophobicContact CG-CB 4.34Å; L143-V316 PolarHBondContact N-O 3.47Å; L143-V316 PolarHBondContact O-N 3.37Å; L143-L318 HydrophobicContact CD1-CD1 3.82Å; L143-L318 HydrophobicContact CD1-CG 4.35Å; L143-L318 HydrophobicContact CD2-CD1 3.8Å; L143-L318 HydrophobicContact CG-CD1 3.78Å; L143-L318 HydrophobicContact CG-CG 4.25Å; L143-A326 HydrophobicContact CD2-CB 3.84Å; L143-A326 WeakPolarHBondContact CD2-O 3.31Å; L143-I329 HydrophobicContact CD1-CG2 4.36Å; L143-I333 HydrophobicContact CD1-CD1 3.97Å; L143-F349 HydrophobicContact CB-CE2 4.19Å; L143-F349 HydrophobicContact CD2-CE2 3.87Å; L143-F349 HydrophobicContact CD2-CZ 4.06Å; L143-V352 HydrophobicContact CD2-CG2 3.94Å
144	V	97.2	Very high	94.6	Very high	8 Å²	8	31.9 Å²	31.9	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.3	166.8	-175.8	0	0	0	0	108.5	F315 E350 K351 Y353	V144-F315 HydrophobicContact CG1-CE2 4.21Å; V144-F315 HydrophobicContact CG1-CZ 4.39Å; V144-F315 HydrophobicContact CG2-CD1 4.32Å; V144-F315 HydrophobicContact CG2-CE1 4.09Å; V144-F315 HydrophobicContact CG2-CZ 4.2Å; V144-E350 PolarHBondContact O-N 2.67Å; V144-K351 HydrophobicContact CB-CG 3.86Å; V144-K351 HydrophobicContact CG2-CG 4Å; V144-K351 PolarHBondContact N-O 3.04Å; V144-Y353 HydrophobicContact CG2-CD2 3.5Å; V144-Y353 HydrophobicContact CG2-CE2 3.39Å
145	L	97.8	Very high	95.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.3	173.9	-53.6	98.4	0	0	0	109.3	L143 S313 M314 V316 I333 A334 L347 K348 F349	L143-L145 HydrophobicContact CB-CD1 3.72Å; L143-L145 HydrophobicContact CD1-CD1 4.32Å; L145-S313 CarbonylContact O-C 3.59Å; L145-S313 WeakPolarHBondContact O-CA 3.4Å; L145-M314 HydrophobicContact CB-CE 4.34Å; L145-M314 HydrophobicContact CB-CG 4.26Å; L145-M314 PolarHBondContact N-O 2.86Å; L145-M314 PolarHBondContact O-N 2.76Å; L145-V316 HydrophobicContact CD1-CB 4.32Å; L145-V316 HydrophobicContact CD1-CG2 3.54Å; L145-I333 HydrophobicContact CD2-CB 4.1Å; L145-I333 HydrophobicContact CD2-CG2 3.74Å; L145-A334 HydrophobicContact CD2-CB 4.2Å; L145-L347 HydrophobicContact CB-CD1 3.93Å; L145-L347 HydrophobicContact CB-CD2 4.01Å; L145-L347 HydrophobicContact CB-CG 4.05Å; L145-L347 HydrophobicContact CD2-CD2 3.78Å; L145-L347 HydrophobicContact CD2-CG 4.34Å; L145-K348 CarbonylContact C-O 3.59Å; L145-K348 VanDerWaalsContact CA-O 3.3Å; L145-K348 WeakPolarHBondContact CA-O 3.37Å; L145-F349 HydrophobicContact CD2-CB 4.34Å; L145-F349 HydrophobicContact CG-CD2 4.36Å
146	D	96.4	Very high	95.4	Very high	37 Å²	37	23.4 Å²	23.4	20%	0.198	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137	-174.1	-179.9	31.5	0	0	0	110.8	K348 E350	D146-K348 PolarHBondContact N-O 2.7Å; D146-K348 WeakPolarHBondContact O-CA 3.17Å; D146-K348 WeakPolarHBondContact O-CB 3.39Å; D146-K348 PolarHBondContact O-N 2.89Å; D146-E350 HydrophobicContact CB-CG 3.84Å
147	F	96.3	Very high	95.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.009	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.9	178.2	-83	-77.1	0	0	0	111.4	S149 L150 T288 L289 A292 D312 V337 V345 L347	F147-S149 PolarHBondContact O-N 3.33Å; F147-L150 HydrophobicContact CB-CB 3.8Å; F147-L150 HydrophobicContact CB-CD1 3.81Å; F147-L150 HydrophobicContact CB-CD2 4.48Å; F147-L150 HydrophobicContact CB-CG 4.23Å; F147-L150 HydrophobicContact CD1-CD1 4.22Å; F147-L150 HydrophobicContact CD2-CD1 4.19Å; F147-L150 HydrophobicContact CG-CD1 3.84Å; F147-L150 PolarHBondContact O-N 3.24Å; F147-T288 HydrophobicContact CE1-CG2 3.98Å; F147-T288 HydrophobicContact CE2-CG2 4.23Å; F147-T288 HydrophobicContact CZ-CG2 3.71Å; F147-L289 HydrophobicContact CE2-CD1 4.18Å; F147-A292 HydrophobicContact CE2-CB 4.35Å; F147-A292 HydrophobicContact CZ-CB 4.18Å; F147-D312 HydrophobicContact CB-CB 4.42Å; F147-D312 WeakPolarHBondContact CD2-O 3.46Å; F147-D312 PolarHBondContact N-O 3.02Å; F147-V337 HydrophobicContact CE1-CG1 4.19Å; F147-V337 HydrophobicContact CZ-CG1 3.83Å; F147-V345 HydrophobicContact CD1-CG1 4.01Å; F147-V345 HydrophobicContact CE1-CG1 3.94Å; F147-L347 HydrophobicContact CD1-CB 4.23Å; F147-L347 HydrophobicContact CD1-CD1 4.14Å; F147-L347 HydrophobicContact CD2-CD1 3.91Å; F147-L347 HydrophobicContact CE1-CB 4Å; F147-L347 HydrophobicContact CE1-CD1 4.19Å; F147-L347 HydrophobicContact CE2-CD1 3.96Å; F147-L347 HydrophobicContact CG-CD1 4Å; F147-L347 HydrophobicContact CZ-CB 4.48Å; F147-L347 HydrophobicContact CZ-CD1 4.1Å
148	Q	92.1	Very high	95.9	Very high	90 Å²	90	20.7 Å²	20.7	42%	0.421	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	101.3	-177.4	-58.9	-164.2	12.8	0	0	111.3	S153 K346 K348	Q148-S153 PolarHBondContact O-OG 3.09Å; Q148-S153 VanDerWaalsContact O-OG 3.08Å; Q148-K346 PolarHBondContact N-O 3.16Å; Q148-K348 HydrophobicContact CG-CB 3.7Å; Q148-K348 HydrophobicContact CG-CG 4.44Å
149	S	91.6	Very high	96.1	Very high	25 Å²	25	20.9 Å²	20.9	18%	0.175	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	55.1	-179	-70.9	0	0	0	0	112	F147 Y151 P152 S153	F147-S149 PolarHBondContact O-N 3.33Å; S149-Y151 PolarHBondContact O-N 2.97Å; S149-P152 WeakPolarHBondContact O-CB 3.44Å; S149-P152 WeakPolarHBondContact O-CD 3.41Å; S149-S153 PolarHBondContact O-N 3.03Å; S149-S153 PolarHBondContact O-OG 3.47Å; S149-S153 VanDerWaalsContact O-OG 3.14Å
150	L	94.9	Very high	96.2	Very high	4 Å²	4	17 Å²	17	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-42.2	-58.5	-172.9	-178	58.6	0	0	0	114.3	F147 S153 I154 T288 D312	F147-L150 HydrophobicContact CB-CB 3.8Å; F147-L150 HydrophobicContact CB-CD1 3.81Å; F147-L150 HydrophobicContact CB-CD2 4.48Å; F147-L150 HydrophobicContact CB-CG 4.23Å; F147-L150 HydrophobicContact CD1-CD1 4.22Å; F147-L150 HydrophobicContact CD2-CD1 4.19Å; F147-L150 HydrophobicContact CG-CD1 3.84Å; F147-L150 PolarHBondContact O-N 3.24Å; L150-S153 PolarHBondContact O-N 2.75Å; L150-I154 HydrophobicContact CD1-CD1 3.59Å; L150-I154 HydrophobicContact CD1-CG1 4.21Å; L150-I154 HydrophobicContact CG-CD1 3.77Å; L150-I154 WeakPolarHBondContact O-CG1 3.49Å; L150-I154 PolarHBondContact O-N 2.97Å; L150-T288 HydrophobicContact CD1-CG2 4.35Å; L150-D312 HydrophobicContact CB-CB 3.92Å; L150-D312 HydrophobicContact CD2-CB 3.79Å
151	Y	95.9	Very high	96.3	Very high	37 Å²	37	14.6 Å²	14.6	15%	0.145	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-49	-177	-66.3	-13.9	0	0	0	113.3	S149 S153 I154 C155 Y261 I281	S149-Y151 PolarHBondContact O-N 2.97Å; Y151-S153 VanDerWaalsContact C-N 3.3Å; Y151-S153 PolarHBondContact O-N 3.32Å; Y151-I154 HydrophobicContact CD1-CD1 4.49Å; Y151-I154 PolarHBondContact O-N 3.04Å; Y151-C155 PolarHBondContact O-N 3.17Å; Y151-C155 PolarHBondContact O-SG 3.35Å; Y151-Y261 AromaticContact CD2-CD1 3.54Å; Y151-Y261 HydrophobicContact CD2-CD1 3.54Å; Y151-Y261 HydrophobicContact CD2-CD2 4.13Å; Y151-Y261 HydrophobicContact CD2-CE1 4.03Å; Y151-Y261 AromaticContact CD2-CG 3.61Å; Y151-Y261 HydrophobicContact CD2-CG 3.61Å; Y151-Y261 AromaticContact CE2-CD1 3.78Å; Y151-Y261 HydrophobicContact CE2-CD1 3.78Å; Y151-Y261 AromaticContact CE2-CE1 3.78Å; Y151-Y261 HydrophobicContact CE2-CE1 3.78Å; Y151-Y261 HydrophobicContact CE2-CG 4.19Å; Y151-Y261 HydrophobicContact CG-CG 4.38Å; Y151-I281 HydrophobicContact CD1-CG2 3.71Å; Y151-I281 HydrophobicContact CD2-CG2 4.29Å; Y151-I281 HydrophobicContact CE1-CG2 4.44Å; Y151-I281 HydrophobicContact CG-CG2 3.62Å
152	P	96.1	Very high	96.2	Very high	7 Å²	7	16.5 Å²	16.5	5%	0.045	9%	0.085	C	C	.	.	H	α-helix	trans	-48.7	-47.6	167.4	-34.4	37.4	0	0	0	114.6	S149 I154 C155 I156 L222 L226 A257	S149-P152 WeakPolarHBondContact O-CB 3.44Å; S149-P152 WeakPolarHBondContact O-CD 3.41Å; P152-I154 VanDerWaalsContact C-N 3.34Å; P152-I154 PolarHBondContact O-N 2.9Å; P152-C155 WeakPolarHBondContact O-CB 3.38Å; P152-C155 PolarHBondContact O-N 3.46Å; P152-I156 WeakPolarHBondContact O-CD1 3.28Å; P152-I156 VanDerWaalsContact O-CG1 3.25Å; P152-I156 WeakPolarHBondContact O-CG1 3.39Å; P152-I156 PolarHBondContact O-N 2.66Å; P152-I156 VanDerWaalsContact O-N 3.1Å; P152-L222 HydrophobicContact CB-CD2 4.14Å; P152-L222 HydrophobicContact CG-CD2 4.33Å; P152-L226 HydrophobicContact CB-CD1 4.14Å; P152-A257 HydrophobicContact CG-CB 4.08Å; P152-A257 VanDerWaalsContact CG-O 3.31Å; P152-A257 WeakPolarHBondContact CG-O 3.4Å
153	S	96.3	Very high	96	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.028	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-35.6	-177.7	-60.3	0	0	0	0	112.3	Q148 S149 L150 Y151 I156 A157	Q148-S153 PolarHBondContact O-OG 3.09Å; Q148-S153 VanDerWaalsContact O-OG 3.08Å; S149-S153 PolarHBondContact O-N 3.03Å; S149-S153 PolarHBondContact O-OG 3.47Å; S149-S153 VanDerWaalsContact O-OG 3.14Å; L150-S153 PolarHBondContact O-N 2.75Å; Y151-S153 VanDerWaalsContact C-N 3.3Å; Y151-S153 PolarHBondContact O-N 3.32Å; S153-I156 PolarHBondContact O-N 3Å; S153-A157 VanDerWaalsContact O-CB 3.26Å; S153-A157 WeakPolarHBondContact O-CB 3.46Å; S153-A157 PolarHBondContact O-N 3.01Å
154	I	97	Very high	95.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.7	-44.6	173.2	-73.5	164.6	0	0	0	111.9	L150 Y151 P152 I156 A157 Y158 Y160 K284 V345	L150-I154 HydrophobicContact CD1-CD1 3.59Å; L150-I154 HydrophobicContact CD1-CG1 4.21Å; L150-I154 HydrophobicContact CG-CD1 3.77Å; L150-I154 WeakPolarHBondContact O-CG1 3.49Å; L150-I154 PolarHBondContact O-N 2.97Å; Y151-I154 HydrophobicContact CD1-CD1 4.49Å; Y151-I154 PolarHBondContact O-N 3.04Å; P152-I154 VanDerWaalsContact C-N 3.34Å; P152-I154 PolarHBondContact O-N 2.9Å; I154-I156 PolarHBondContact O-N 2.93Å; I154-A157 PolarHBondContact O-N 3.33Å; I154-Y158 HydrophobicContact CG2-CD2 4.1Å; I154-Y158 PolarHBondContact O-N 3.16Å; I154-Y160 HydrophobicContact CG2-CD2 3.96Å; I154-Y160 HydrophobicContact CG2-CE2 3.78Å; I154-K284 HydrophobicContact CG2-CB 3.94Å; I154-K284 HydrophobicContact CG2-CG 3.96Å; I154-V345 HydrophobicContact CG1-CG2 4.35Å
155	C	96.8	Very high	95.7	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.02	9%	0.094	C	C	.	.	H	α-helix	trans	-55.5	-45.5	175.3	-65.6	0	0	0	0	110.9	Y151 P152 N159 Y160 P219 L222 I281	Y151-C155 PolarHBondContact O-N 3.17Å; Y151-C155 PolarHBondContact O-SG 3.35Å; P152-C155 WeakPolarHBondContact O-CB 3.38Å; P152-C155 PolarHBondContact O-N 3.46Å; C155-N159 CarbonylContact O-C 3.6Å; C155-N159 WeakPolarHBondContact O-CA 3.47Å; C155-N159 PolarHBondContact O-N 2.91Å; C155-N159 VanDerWaalsContact O-N 3.11Å; C155-Y160 PolarHBondContact O-N 3.42Å; C155-Y160 VanDerWaalsContact O-N 3.09Å; C155-P219 WeakPolarHBondContact O-CG 3.48Å; C155-L222 HydrophobicContact CB-CD1 3.61Å; C155-I281 WeakPolarHBondContact SG-CD1 3.26Å
156	I	96.9	Very high	95.4	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-65.4	-50.6	179.7	-63.8	164.4	0	0	0	111.4	P152 S153 I154 L222 Q223 L226 P344	P152-I156 WeakPolarHBondContact O-CD1 3.28Å; P152-I156 VanDerWaalsContact O-CG1 3.25Å; P152-I156 WeakPolarHBondContact O-CG1 3.39Å; P152-I156 PolarHBondContact O-N 2.66Å; P152-I156 VanDerWaalsContact O-N 3.1Å; S153-I156 PolarHBondContact O-N 3Å; I154-I156 PolarHBondContact O-N 2.93Å; I156-L222 HydrophobicContact CD1-CB 3.93Å; I156-L222 HydrophobicContact CG1-CB 3.92Å; I156-Q223 HydrophobicContact CD1-CB 4.23Å; I156-Q223 HydrophobicContact CG1-CB 4.43Å; I156-Q223 VanDerWaalsContact CG2-OE1 3.23Å; I156-L226 HydrophobicContact CD1-CD1 3.65Å; I156-P344 HydrophobicContact CB-CG 4.02Å; I156-P344 HydrophobicContact CD1-CG 3.92Å; I156-P344 VanDerWaalsContact CG2-CD 3.48Å; I156-P344 HydrophobicContact CG2-CG 3.85Å
157	A	96.5	Very high	95.1	Very high	28 Å²	28	17.5 Å²	17.5	23%	0.231	9%	0.093	C	C	.	.	H	α-helix	trans	-70.3	-32.3	-171.7	0	0	0	0	0	113.9	S153 I154 P342 Y343 V345	S153-A157 VanDerWaalsContact O-CB 3.26Å; S153-A157 WeakPolarHBondContact O-CB 3.46Å; S153-A157 PolarHBondContact O-N 3.01Å; I154-A157 PolarHBondContact O-N 3.33Å; A157-P342 HydrophobicContact CB-CB 4.09Å; A157-P342 HydrophobicContact CB-CG 3.83Å; A157-Y343 WeakPolarHBondContact CB-O 3.02Å; A157-V345 HydrophobicContact CB-CG2 4.07Å
158	Y	96.8	Very high	94.7	Very high	47 Å²	47	19.2 Å²	19.2	18%	0.184	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	13.2	-178.6	-58.7	-77.9	0	0	0	113.3	I154 Y160 K284 P342	I154-Y158 HydrophobicContact CG2-CD2 4.1Å; I154-Y158 PolarHBondContact O-N 3.16Å; Y158-Y160 VanDerWaalsContact C-N 3.25Å; Y158-Y160 VanDerWaalsContact CB-CE1 3.47Å; Y158-Y160 WeakPolarHBondContact O-CD1 3.25Å; Y158-Y160 WeakPolarHBondContact O-CE1 3.35Å; Y158-Y160 PolarHBondContact O-N 2.96Å; Y158-K284 HydrophobicContact CD2-CG 3.84Å; Y158-K284 VanDerWaalsContact CE1-CE 3.49Å; Y158-K284 HydrophobicContact CE2-CD 4.16Å; Y158-K284 HydrophobicContact CE2-CG 3.73Å; Y158-K284 HydrophobicContact CG-CG 4.49Å; Y158-P342 HydrophobicContact CE1-CG 4.18Å; Y158-P342 HydrophobicContact CE2-CG 4.05Å; Y158-P342 WeakPolarHBondContact OH-CG 3.35Å
159	N	97.2	Very high	94.4	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	31.7	176.9	-161.1	36.9	0	0	0	114.8	C155 C161 T164 V209 D210 D211 R214 G216	C155-N159 CarbonylContact O-C 3.6Å; C155-N159 WeakPolarHBondContact O-CA 3.47Å; C155-N159 PolarHBondContact O-N 2.91Å; C155-N159 VanDerWaalsContact O-N 3.11Å; N159-C161 PolarHBondContact O-N 2.64Å; N159-T164 WeakPolarHBondContact ND2-CG2 3.46Å; N159-T164 PolarHBondContact O-OG1 3.27Å; N159-V209 PolarHBondContact ND2-O 3.47Å; N159-D210 PolarHBondContact ND2-O 3.4Å; N159-D211 PolarHBondContact ND2-N 3.46Å; N159-R214 PolarHBondContact ND2-O 3.32Å; N159-G216 PolarHBondContact OD1-N 2.64Å
160	Y	97.3	Very high	93.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.			trans	-72	111	-176.4	-63.9	-17.3	0	0	0	111.8	I154 C155 Y158 S202 F208 S280 I281 K284	I154-Y160 HydrophobicContact CG2-CD2 3.96Å; I154-Y160 HydrophobicContact CG2-CE2 3.78Å; C155-Y160 PolarHBondContact O-N 3.42Å; C155-Y160 VanDerWaalsContact O-N 3.09Å; Y158-Y160 VanDerWaalsContact C-N 3.25Å; Y158-Y160 VanDerWaalsContact CB-CE1 3.47Å; Y158-Y160 WeakPolarHBondContact O-CD1 3.25Å; Y158-Y160 WeakPolarHBondContact O-CE1 3.35Å; Y158-Y160 PolarHBondContact O-N 2.96Å; Y160-S202 VanDerWaalsContact OH-CB 3.28Å; Y160-S202 WeakPolarHBondContact OH-CB 3.27Å; Y160-F208 AromaticContact CD1-CD1 3.97Å; Y160-F208 HydrophobicContact CD1-CD1 3.97Å; Y160-F208 AromaticContact CD1-CD2 3.6Å; Y160-F208 HydrophobicContact CD1-CD2 3.6Å; Y160-F208 AromaticContact CD1-CE1 3.93Å; Y160-F208 HydrophobicContact CD1-CE1 3.93Å; Y160-F208 AromaticContact CD1-CE2 3.56Å; Y160-F208 HydrophobicContact CD1-CE2 3.56Å; Y160-F208 AromaticContact CD1-CG 3.81Å; Y160-F208 HydrophobicContact CD1-CG 3.81Å; Y160-F208 AromaticContact CD1-CZ 3.73Å; Y160-F208 HydrophobicContact CD1-CZ 3.73Å; Y160-F208 AromaticContact CE1-CD2 3.65Å; Y160-F208 HydrophobicContact CE1-CD2 3.65Å; Y160-F208 AromaticContact CE1-CE2 3.69Å; Y160-F208 HydrophobicContact CE1-CE2 3.69Å; Y160-F208 HydrophobicContact CE1-CG 4.25Å; Y160-F208 HydrophobicContact CE1-CZ 4.3Å; Y160-F208 HydrophobicContact CG-CE1 4.24Å; Y160-F208 HydrophobicContact CG-CE2 4.26Å; Y160-F208 HydrophobicContact CG-CZ 4.04Å; Y160-S280 WeakPolarHBondContact CE2-O 3.23Å; Y160-I281 HydrophobicContact CD2-CG1 3.9Å; Y160-K284 HydrophobicContact CE2-CB 4.04Å; Y160-K284 HydrophobicContact CE2-CG 4.33Å
161	C	96.4	Very high	93.1	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	15%	0.15	C	C	.	.			trans	-152.4	158.7	-176.6	-169.6	0	0	0	0	112.5	N159 S163 T164 C165 I217 L218 P219	N159-C161 PolarHBondContact O-N 2.64Å; C161-S163 PolarHBondContact O-N 2.8Å; C161-S163 PolarHBondContact SG-N 2.79Å; C161-S163 PolarHBondContact SG-OG 3.44Å; C161-T164 HydrophobicContact CB-CG2 4.13Å; C161-T164 WeakPolarHBondContact CB-OG1 3.35Å; C161-T164 PolarHBondContact N-OG1 3.32Å; C161-T164 VanDerWaalsContact N-OG1 3.12Å; C161-T164 PolarHBondContact O-N 3.14Å; C161-T164 PolarHBondContact O-OG1 3.34Å; C161-C165 WeakPolarHBondContact O-CB 3.26Å; C161-C165 PolarHBondContact O-N 3.34Å; C161-C165 VanDerWaalsContact O-N 3.11Å; C161-I217 PolarHBondContact SG-N 3.5Å; C161-L218 HydrophobicContact CB-CB 4.37Å; C161-L218 PolarHBondContact SG-N 3.12Å; C161-P219 HydrophobicContact CB-CG 4.29Å
162	F	94.4	Very high	91.8	Very high	43 Å²	43	27.3 Å²	27.3	19%	0.189	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.5	166.7	-58.5	-80.8	0	0	0	112.6	M99 L218 Y263 T264 M272 C274 I277	M99-F162 HydrophobicContact SD-CD2 4.33Å; M99-F162 HydrophobicContact SD-CE2 4.01Å; F162-L218 HydrophobicContact CD2-CD1 3.84Å; F162-L218 HydrophobicContact CD2-CG 4.18Å; F162-L218 HydrophobicContact CE2-CD1 3.76Å; F162-L218 HydrophobicContact CE2-CD2 4.47Å; F162-L218 HydrophobicContact CE2-CG 4.34Å; F162-Y263 HydrophobicContact CE2-CD1 4.42Å; F162-Y263 HydrophobicContact CE2-CE1 4.31Å; F162-Y263 HydrophobicContact CZ-CD1 4.28Å; F162-Y263 HydrophobicContact CZ-CE1 4.14Å; F162-T264 HydrophobicContact CE2-CG2 4.11Å; F162-T264 HydrophobicContact CZ-CG2 3.88Å; F162-M272 HydrophobicContact CD1-CE 3.93Å; F162-M272 HydrophobicContact CD2-CE 3.67Å; F162-M272 HydrophobicContact CE1-CE 3.83Å; F162-M272 HydrophobicContact CE1-CG 4.35Å; F162-M272 WeakPolarHBondContact CE1-O 3.28Å; F162-M272 HydrophobicContact CE2-CE 3.56Å; F162-M272 HydrophobicContact CG-CE 3.85Å; F162-M272 HydrophobicContact CZ-CE 3.64Å; F162-M272 VanDerWaalsContact CZ-O 3.27Å; F162-M272 WeakPolarHBondContact CZ-O 3.17Å; F162-C274 HydrophobicContact CD1-CB 4Å; F162-C274 HydrophobicContact CE1-CB 3.56Å; F162-I277 HydrophobicContact CB-CD1 4.26Å; F162-I277 HydrophobicContact CD1-CD1 3.5Å; F162-I277 HydrophobicContact CD2-CD1 4.39Å; F162-I277 HydrophobicContact CE1-CD1 3.94Å; F162-I277 HydrophobicContact CG-CD1 3.77Å
163	S	94.2	Very high	90.3	Very high	25 Å²	25	32.1 Å²	32.1	18%	0.175	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.4	-177.1	63	0	0	0	0	114.7	C161 R214 I217	C161-S163 PolarHBondContact O-N 2.8Å; C161-S163 PolarHBondContact SG-N 2.79Å; C161-S163 PolarHBondContact SG-OG 3.44Å; S163-R214 WeakPolarHBondContact O-CD 3.48Å; S163-I217 PolarHBondContact OG-N 2.8Å
164	T	95.2	Very high	89.1	Confident	2 Å²	2	34 Å²	34	1%	0.012	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-16.2	-175.1	59.2	0	0	0	0	113.4	N159 C161 F208 V209 R214	N159-T164 WeakPolarHBondContact ND2-CG2 3.46Å; N159-T164 PolarHBondContact O-OG1 3.27Å; C161-T164 HydrophobicContact CB-CG2 4.13Å; C161-T164 WeakPolarHBondContact CB-OG1 3.35Å; C161-T164 PolarHBondContact N-OG1 3.32Å; C161-T164 VanDerWaalsContact N-OG1 3.12Å; C161-T164 PolarHBondContact O-N 3.14Å; C161-T164 PolarHBondContact O-OG1 3.34Å; T164-F208 CarbonylContact O-C 3.52Å; T164-F208 VanDerWaalsContact O-CA 3.28Å; T164-F208 WeakPolarHBondContact O-CA 3.24Å; T164-V209 HydrophobicContact CG2-CG2 4.08Å; T164-V209 PolarHBondContact O-N 2.83Å; T164-R214 HydrophobicContact CG2-CG 4.3Å; T164-R214 WeakPolarHBondContact CG2-O 3.35Å
165	C	94.1	Very high	87.6	Confident	9 Å²	9	41 Å²	41	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	136.5	179.8	-170.1	0	0	0	0	112.8	C161 F180 V206 F208	C161-C165 WeakPolarHBondContact O-CB 3.26Å; C161-C165 PolarHBondContact O-N 3.34Å; C161-C165 VanDerWaalsContact O-N 3.11Å; C165-F180 HydrophobicContact CB-CE2 3.93Å; C165-F180 HydrophobicContact CB-CZ 3.94Å; C165-F180 WeakPolarHBondContact SG-CE2 3.37Å; C165-V206 WeakPolarHBondContact SG-CG1 3.14Å; C165-F208 HydrophobicContact CB-CD1 3.73Å; C165-F208 HydrophobicContact CB-CE1 3.55Å; C165-F208 HydrophobicContact CB-CZ 4.36Å
166	L	91.7	Very high	86.6	Confident	29 Å²	29	47.9 Å²	47.9	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-1.2	179.2	-57.7	-176.7	0	0	0	113.3	V187 L192 L199 V207 V209	L166-V187 HydrophobicContact CB-CG2 4.27Å; L166-V187 HydrophobicContact CD2-CG1 4.49Å; L166-V187 HydrophobicContact CD2-CG2 4.24Å; L166-L192 HydrophobicContact CD1-CD2 3.72Å; L166-L199 HydrophobicContact CD1-CD2 3.73Å; L166-V207 HydrophobicContact CB-CB 4.31Å; L166-V207 HydrophobicContact CB-CG1 4.36Å; L166-V207 HydrophobicContact CD1-CG1 4.24Å; L166-V207 PolarHBondContact N-O 2.96Å; L166-V209 HydrophobicContact CD1-CG1 3.91Å; L166-V209 HydrophobicContact CG-CG1 4.35Å
167	G	89.7	Confident	85.5	Confident	2 Å²	2	55.9 Å²	55.9	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.9	-176.1	177.3	0	0	0	0	0	114	V207	G167-V207 PolarHBondContact O-N 3.01Å
168	K	88.3	Confident	84.8	Confident	37 Å²	37	55.6 Å²	55.6	16%	0.161	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	136.4	178.2	-68.6	-169.1	-179	-169.3	0	111.5	E125 V170 H171 G205 V206	E125-K168 IonicContact OE1-NZ 3.36Å; E125-K168 PolarHBondContact OE1-NZ 3.14Å; E125-K168 IonicContact OE2-NZ 2.82Å; E125-K168 PolarHBondContact OE2-NZ 3.24Å; K168-V170 VanDerWaalsContact C-N 3.25Å; K168-V170 PolarHBondContact O-N 2.67Å; K168-H171 PolarHBondContact O-N 3.11Å; K168-G205 CarbonylContact C-O 3.53Å; K168-G205 WeakPolarHBondContact CA-O 3.35Å; K168-V206 HydrophobicContact CG-CG2 4.11Å
169	L	85.3	Confident	84.1	Confident	98 Å²	98	57.9 Å²	57.9	51%	0.513	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-56	-37.6	-178.7	-177.3	65.2	0	0	0	112.6	H171 S172 G205 V207	L169-H171 PolarHBondContact O-N 3.07Å; L169-S172 WeakPolarHBondContact CA-OG 3.43Å; L169-S172 VanDerWaalsContact O-CB 3.26Å; L169-S172 WeakPolarHBondContact O-CB 3.33Å; L169-S172 PolarHBondContact O-N 3.14Å; L169-S172 PolarHBondContact O-OG 3.19Å; L169-G205 WeakPolarHBondContact CB-O 3.26Å; L169-G205 PolarHBondContact N-O 3.48Å; L169-V207 HydrophobicContact CB-CG2 3.98Å; L169-V207 HydrophobicContact CD1-CG2 3.8Å; L169-V207 HydrophobicContact CG-CG2 4.48Å
170	V	80.7	Confident	83.6	Confident	129 Å²	129	59.1 Å²	59.1	78%	0.782	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-52.3	-29.1	176.4	-179	0	0	0	0	112.5	K168	K168-V170 VanDerWaalsContact C-N 3.25Å; K168-V170 PolarHBondContact O-N 2.67Å
171	H	78.4	Confident	83	Confident	82 Å²	82	59.5 Å²	59.5	38%	0.38	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-103.5	-1.3	-177.7	-54.9	-50.8	0	0	0	113.7	K168 L169 C173 S174 I178	K168-H171 PolarHBondContact O-N 3.11Å; L169-H171 PolarHBondContact O-N 3.07Å; H171-C173 PolarHBondContact O-N 3.29Å; H171-C173 VanDerWaalsContact O-N 3.09Å; H171-S174 VanDerWaalsContact O-CB 3.28Å; H171-S174 WeakPolarHBondContact O-CB 3.33Å; H171-S174 PolarHBondContact O-N 3.49Å; H171-I178 HydrophobicContact CB-CB 4.23Å; H171-I178 HydrophobicContact CB-CD1 3.6Å; H171-I178 HydrophobicContact CB-CG1 3.77Å; H171-I178 HydrophobicContact CB-CG2 3.41Å; H171-I178 VanDerWaalsContact CB-CG2 3.41Å; H171-I178 VanDerWaalsContact CD2-CG2 3.41Å; H171-I178 WeakPolarHBondContact CD2-CG2 3.2Å; H171-I178 VanDerWaalsContact O-CD1 3.26Å; H171-I178 WeakPolarHBondContact O-CD1 3.39Å
172	S	68.4	Low	82.6	Confident	17 Å²	17	59.8 Å²	59.8	12%	0.119	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.1	-175.4	-71.2	0	0	0	0	114.6	L169 L192	L169-S172 WeakPolarHBondContact CA-OG 3.43Å; L169-S172 VanDerWaalsContact O-CB 3.26Å; L169-S172 WeakPolarHBondContact O-CB 3.33Å; L169-S172 PolarHBondContact O-N 3.14Å; L169-S172 PolarHBondContact O-OG 3.19Å; S172-L192 VanDerWaalsContact O-CD1 3.23Å; S172-L192 WeakPolarHBondContact O-CD1 3.43Å
173	C	65.7	Low	82.3	Confident	108 Å²	108	64.4 Å²	64.4	73%	0.73	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	1.9	174.8	-62	0	0	0	0	113.8	H171	H171-C173 PolarHBondContact O-N 3.29Å; H171-C173 VanDerWaalsContact O-N 3.09Å
174	S	69.4	Low	82	Confident	45 Å²	45	68 Å²	68	32%	0.315	34%	0.339	S	S	.	.			trans	-74.1	136.4	179.7	-174.5	0	0	0	0	111.6	H171 E176	H171-S174 VanDerWaalsContact O-CB 3.28Å; H171-S174 WeakPolarHBondContact O-CB 3.33Å; H171-S174 PolarHBondContact O-N 3.49Å; S174-E176 VanDerWaalsContact C-N 3.28Å; S174-E176 PolarHBondContact OG-N 2.92Å; S174-E176 VanDerWaalsContact OG-N 3.14Å
175	H	66.7	Low	81.7	Confident	146 Å²	146	70.1 Å²	70.1	68%	0.676	35%	0.35	S	S	*	.	S	Bend	trans	-81	-8.7	170.4	-65.2	-56.5	0	0	0	113	K186	H175-K186 VanDerWaalsContact O-CE 3.24Å; H175-K186 WeakPolarHBondContact O-CE 3.04Å; H175-K186 PolarHBondContact O-NZ 3.1Å
176	E	75	Confident	81.3	Confident	147 Å²	147	75.3 Å²	75.3	69%	0.687	37%	0.371	S	S	*	.	S	Bend	trans	-87.3	179.9	-178.1	-57.6	-163.3	152.3	0	0	112.6	S174	S174-E176 VanDerWaalsContact C-N 3.28Å; S174-E176 PolarHBondContact OG-N 2.92Å; S174-E176 VanDerWaalsContact OG-N 3.14Å
177	R	75	Confident	81	Confident	174 Å²	174	74.9 Å²	74.9	66%	0.657	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-91	116.6	168.7	-54.4	-175.5	171.2	162.2	-2.5	109.3	K184 L185 K186	R177-K184 HydrophobicContact CB-CB 3.76Å; R177-K184 HydrophobicContact CB-CD 4.3Å; R177-L185 CarbonylContact C-O 3.59Å; R177-L185 WeakPolarHBondContact CA-O 3.09Å; R177-K186 HydrophobicContact CG-CB 4.09Å; R177-K186 HydrophobicContact CG-CD 4.47Å
178	I	80.1	Confident	80.8	Confident	21 Å²	21	77.8 Å²	77.8	11%	0.108	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	141.4	-176.7	-47.1	161.6	0	0	0	108.3	H171 F180 K184 L185	H171-I178 HydrophobicContact CB-CB 4.23Å; H171-I178 HydrophobicContact CB-CD1 3.6Å; H171-I178 HydrophobicContact CB-CG1 3.77Å; H171-I178 HydrophobicContact CB-CG2 3.41Å; H171-I178 VanDerWaalsContact CB-CG2 3.41Å; H171-I178 VanDerWaalsContact CD2-CG2 3.41Å; H171-I178 WeakPolarHBondContact CD2-CG2 3.2Å; H171-I178 VanDerWaalsContact O-CD1 3.26Å; H171-I178 WeakPolarHBondContact O-CD1 3.39Å; I178-F180 PolarHBondContact O-N 3.24Å; I178-K184 CarbonylContact O-C 3.54Å; I178-K184 WeakPolarHBondContact O-CA 3.39Å; I178-L185 PolarHBondContact N-O 3.17Å; I178-L185 PolarHBondContact O-N 2.87Å
179	D	82.7	Confident	80.6	Confident	95 Å²	95	79 Å²	79	51%	0.508	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	132.2	170	-65.8	-46.6	0	0	0	110	K184	D179-K184 WeakPolarHBondContact OD1-CE 3.23Å; D179-K184 WeakPolarHBondContact OD1-CG 3.47Å; D179-K184 IonicContact OD1-NZ 3.77Å; D179-K184 PolarHBondContact OD1-NZ 3.4Å; D179-K184 IonicContact OD2-NZ 2.88Å; D179-K184 PolarHBondContact OD2-NZ 3.03Å
180	F	86.2	Confident	80.7	Confident	31 Å²	31	77.6 Å²	77.6	14%	0.136	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	102.8	-177.2	172.7	-112.9	0	0	0	108.7	C165 I178 C182 W183 L185 E276	C165-F180 HydrophobicContact CB-CE2 3.93Å; C165-F180 HydrophobicContact CB-CZ 3.94Å; C165-F180 WeakPolarHBondContact SG-CE2 3.37Å; I178-F180 PolarHBondContact O-N 3.24Å; F180-C182 PolarHBondContact O-N 2.9Å; F180-C182 VanDerWaalsContact O-N 3.14Å; F180-W183 PolarHBondContact N-O 2.94Å; F180-W183 PolarHBondContact O-N 3.41Å; F180-L185 HydrophobicContact CB-CB 3.58Å; F180-L185 HydrophobicContact CB-CD2 4.37Å; F180-L185 HydrophobicContact CD1-CB 4.18Å; F180-L185 HydrophobicContact CD1-CD2 4.2Å; F180-L185 HydrophobicContact CD2-CD2 4.36Å; F180-L185 HydrophobicContact CG-CB 4.01Å; F180-L185 HydrophobicContact CG-CD2 4.03Å; F180-E276 WeakPolarHBondContact CA-OE1 3.36Å; F180-E276 HydrophobicContact CD2-CG 4.23Å; F180-E276 HydrophobicContact CE2-CB 4.4Å; F180-E276 HydrophobicContact CE2-CG 4.5Å
181	G	85.8	Confident	81	Confident	7 Å²	7	74 Å²	74	7%	0.072	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	-117.8	-168.7	0	0	0	0	0	111.1	M121 E276	M121-G181 WeakPolarHBondContact CB-O 3.47Å; M121-G181 VanDerWaalsContact CG-O 3.23Å; M121-G181 WeakPolarHBondContact CG-O 3.08Å; G181-E276 WeakPolarHBondContact CA-OE2 3.47Å; G181-E276 VanDerWaalsContact N-CD 3.28Å; G181-E276 PolarHBondContact N-OE1 2.72Å; G181-E276 PolarHBondContact N-OE2 3.25Å
182	C	87.8	Confident	81.4	Confident	9 Å²	9	71.2 Å²	71.2	6%	0.061	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	13	179.3	-60.6	0	0	0	0	114.5	L111 P113 Q117 F180	L111-C182 HydrophobicContact CD2-CB 4.25Å; P113-C182 HydrophobicContact CB-CB 3.41Å; P113-C182 VanDerWaalsContact CB-CB 3.41Å; P113-C182 HydrophobicContact CG-CB 3.94Å; Q117-C182 HydrophobicContact CB-CB 4.33Å; F180-C182 PolarHBondContact O-N 2.9Å; F180-C182 VanDerWaalsContact O-N 3.14Å
183	W	88.2	Confident	82.4	Confident	139 Å²	139	74.6 Å²	74.6	53%	0.527	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	-176.7	-176.5	-164.6	-109	0	0	0	111.6	L111 F180	L111-W183 HydrophobicContact CD1-CB 4.34Å; L111-W183 HydrophobicContact CD1-CD2 3.82Å; L111-W183 HydrophobicContact CD1-CE3 3.57Å; L111-W183 HydrophobicContact CD1-CG 4.16Å; L111-W183 HydrophobicContact CD1-CZ3 4.13Å; L111-W183 HydrophobicContact CD2-CB 3.81Å; L111-W183 HydrophobicContact CD2-CG 4.5Å; F180-W183 PolarHBondContact N-O 2.94Å; F180-W183 PolarHBondContact O-N 3.41Å
184	K	88.3	Confident	83.6	Confident	102 Å²	102	77.8 Å²	77.8	44%	0.443	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.8	172.9	-66.9	-170.6	171.7	-75.9	0	111.4	R177 I178 D179	R177-K184 HydrophobicContact CB-CB 3.76Å; R177-K184 HydrophobicContact CB-CD 4.3Å; I178-K184 CarbonylContact O-C 3.54Å; I178-K184 WeakPolarHBondContact O-CA 3.39Å; D179-K184 WeakPolarHBondContact OD1-CE 3.23Å; D179-K184 WeakPolarHBondContact OD1-CG 3.47Å; D179-K184 IonicContact OD1-NZ 3.77Å; D179-K184 PolarHBondContact OD1-NZ 3.4Å; D179-K184 IonicContact OD2-NZ 2.88Å; D179-K184 PolarHBondContact OD2-NZ 3.03Å
185	L	87.5	Confident	84.7	Confident	45 Å²	45	77.1 Å²	77.1	24%	0.236	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.7	179.3	-177.6	62.8	0	0	0	110.6	R177 I178 F180 V187	R177-L185 CarbonylContact C-O 3.59Å; R177-L185 WeakPolarHBondContact CA-O 3.09Å; I178-L185 PolarHBondContact N-O 3.17Å; I178-L185 PolarHBondContact O-N 2.87Å; F180-L185 HydrophobicContact CB-CB 3.58Å; F180-L185 HydrophobicContact CB-CD2 4.37Å; F180-L185 HydrophobicContact CD1-CB 4.18Å; F180-L185 HydrophobicContact CD1-CD2 4.2Å; F180-L185 HydrophobicContact CD2-CD2 4.36Å; F180-L185 HydrophobicContact CG-CB 4.01Å; F180-L185 HydrophobicContact CG-CD2 4.03Å; L185-V187 HydrophobicContact CD1-CG2 4.4Å; L185-V187 HydrophobicContact CD2-CG2 4.01Å; L185-V187 HydrophobicContact CG-CG2 3.99Å
186	K	86	Confident	85.8	Confident	118 Å²	118	80 Å²	80	51%	0.513	39%	0.386	S	S	.	.			trans	-135.9	116.2	167.9	175.1	167.9	175.9	166.4	0	109.1	H175 R177	H175-K186 VanDerWaalsContact O-CE 3.24Å; H175-K186 WeakPolarHBondContact O-CE 3.04Å; H175-K186 PolarHBondContact O-NZ 3.1Å; R177-K186 HydrophobicContact CG-CB 4.09Å; R177-K186 HydrophobicContact CG-CD 4.47Å
187	V	85.9	Confident	86.7	Confident	20 Å²	20	81.7 Å²	81.7	12%	0.121	39%	0.394	C	S	.	.			trans	-106	121.2	175.7	-171.8	0	0	0	0	108	L166 L185 L192	L166-V187 HydrophobicContact CB-CG2 4.27Å; L166-V187 HydrophobicContact CD2-CG1 4.49Å; L166-V187 HydrophobicContact CD2-CG2 4.24Å; L185-V187 HydrophobicContact CD1-CG2 4.4Å; L185-V187 HydrophobicContact CD2-CG2 4.01Å; L185-V187 HydrophobicContact CG-CG2 3.99Å; V187-L192 HydrophobicContact CG1-CD2 3.86Å; V187-L192 HydrophobicContact CG1-CG 3.9Å
188	P	84.8	Confident	87.6	Confident	64 Å²	64	76.1 Å²	76.1	42%	0.416	38%	0.375	S	S	.	.			trans	-61.9	137.3	175.4	-23.1	34	0	0	0	111.7	S190 T191 L192	P188-S190 PolarHBondContact O-N 2.93Å; P188-T191 WeakPolarHBondContact O-CA 3.27Å; P188-T191 VanDerWaalsContact O-CB 3.3Å; P188-T191 WeakPolarHBondContact O-CB 3.36Å; P188-T191 PolarHBondContact O-N 2.85Å; P188-L192 PolarHBondContact O-N 2.79Å
189	T	84.3	Confident	88.3	Confident	61 Å²	61	77.8 Å²	77.8	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-59.4	-29.8	176.9	49.5	0	0	0	0	112.8	T191 L192 S193	T189-T191 VanDerWaalsContact C-N 3.33Å; T189-L192 PolarHBondContact O-N 3.24Å; T189-S193 WeakPolarHBondContact O-CB 2.96Å; T189-S193 PolarHBondContact O-N 3.06Å; T189-S193 PolarHBondContact O-OG 3.43Å
190	S	87.8	Confident	88.8	Confident	70 Å²	70	75.2 Å²	75.2	49%	0.49	37%	0.372	S	S	.	.	H	α-helix	trans	-64.7	-33.6	171.9	55.5	0	0	0	0	113	P188 K194	P188-S190 PolarHBondContact O-N 2.93Å; S190-K194 WeakPolarHBondContact O-CG 3.34Å; S190-K194 PolarHBondContact O-N 2.63Å; S190-K194 VanDerWaalsContact O-N 3.16Å
191	T	87.9	Confident	89.2	Confident	54 Å²	54	77 Å²	77	33%	0.331	39%	0.388	S	S	.	.	H	α-helix	trans	-70.1	-45.4	173.9	-54.9	0	0	0	0	110.7	P188 T189 S193 K194 L195	P188-T191 WeakPolarHBondContact O-CA 3.27Å; P188-T191 VanDerWaalsContact O-CB 3.3Å; P188-T191 WeakPolarHBondContact O-CB 3.36Å; P188-T191 PolarHBondContact O-N 2.85Å; T189-T191 VanDerWaalsContact C-N 3.33Å; T191-S193 VanDerWaalsContact C-N 3.31Å; T191-S193 PolarHBondContact O-N 3.34Å; T191-K194 PolarHBondContact O-N 2.97Å; T191-L195 HydrophobicContact CG2-CD1 3.84Å; T191-L195 HydrophobicContact CG2-CG 4.4Å; T191-L195 WeakPolarHBondContact O-CB 3.41Å; T191-L195 WeakPolarHBondContact O-CG 3.37Å; T191-L195 PolarHBondContact O-N 3.35Å
192	L	86.7	Confident	89.7	Confident	22 Å²	22	76.9 Å²	76.9	12%	0.115	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-40.4	176	-65.2	175.1	0	0	0	112.1	L166 S172 V187 P188 T189 K194 L195 R196 L199	L166-L192 HydrophobicContact CD1-CD2 3.72Å; S172-L192 VanDerWaalsContact O-CD1 3.23Å; S172-L192 WeakPolarHBondContact O-CD1 3.43Å; V187-L192 HydrophobicContact CG1-CD2 3.86Å; V187-L192 HydrophobicContact CG1-CG 3.9Å; P188-L192 PolarHBondContact O-N 2.79Å; T189-L192 PolarHBondContact O-N 3.24Å; L192-K194 PolarHBondContact O-N 2.66Å; L192-L195 PolarHBondContact O-N 3.38Å; L192-R196 PolarHBondContact O-N 2.96Å; L192-R196 VanDerWaalsContact O-N 3.1Å; L192-L199 HydrophobicContact CD2-CD1 4.37Å
193	S	87.9	Confident	90.1	Very high	88 Å²	88	79.3 Å²	79.3	62%	0.615	40%	0.401	S	S	*	.	H	α-helix	trans	-63.6	-40.6	177.2	-58.6	0	0	0	0	112.2	T189 T191 R196	T189-S193 WeakPolarHBondContact O-CB 2.96Å; T189-S193 PolarHBondContact O-N 3.06Å; T189-S193 PolarHBondContact O-OG 3.43Å; T191-S193 VanDerWaalsContact C-N 3.31Å; T191-S193 PolarHBondContact O-N 3.34Å; S193-R196 WeakPolarHBondContact O-CB 3.48Å
194	K	91.6	Very high	90.3	Very high	175 Å²	175	73.8 Å²	73.8	76%	0.761	39%	0.386	S	S	*	.	H	α-helix	trans	-67.9	-37.2	175.3	-74.3	176.2	179.1	-172.9	0	112.8	S190 T191 L192 R196	S190-K194 WeakPolarHBondContact O-CG 3.34Å; S190-K194 PolarHBondContact O-N 2.63Å; S190-K194 VanDerWaalsContact O-N 3.16Å; T191-K194 PolarHBondContact O-N 2.97Å; L192-K194 PolarHBondContact O-N 2.66Å; K194-R196 VanDerWaalsContact C-N 3.34Å
195	L	92.1	Very high	90.5	Very high	31 Å²	31	70.2 Å²	70.2	16%	0.162	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.9	-177.6	-65.4	178.1	0	0	0	113.8	T191 L192 Q197 H198 L199 V209 I213	T191-L195 HydrophobicContact CG2-CD1 3.84Å; T191-L195 HydrophobicContact CG2-CG 4.4Å; T191-L195 WeakPolarHBondContact O-CB 3.41Å; T191-L195 WeakPolarHBondContact O-CG 3.37Å; T191-L195 PolarHBondContact O-N 3.35Å; L192-L195 PolarHBondContact O-N 3.38Å; L195-Q197 PolarHBondContact O-N 3.37Å; L195-H198 CarbonylContact O-C 3.57Å; L195-H198 WeakPolarHBondContact O-CA 3.3Å; L195-H198 WeakPolarHBondContact O-CB 3.47Å; L195-H198 PolarHBondContact O-N 3.5Å; L195-L199 HydrophobicContact CB-CD2 3.88Å; L195-L199 HydrophobicContact CB-CG 4.44Å; L195-L199 WeakPolarHBondContact O-CG 3.31Å; L195-L199 PolarHBondContact O-N 2.86Å; L195-V209 HydrophobicContact CD1-CG1 3.98Å; L195-I213 HydrophobicContact CD2-CD1 3.92Å; L195-I213 HydrophobicContact CD2-CG1 4.07Å; L195-I213 HydrophobicContact CD2-CG2 4.08Å
196	R	90.9	Very high	90.8	Very high	206 Å²	206	68.1 Å²	68.1	78%	0.777	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-49.9	-35.8	-168.3	-177.8	175	178.3	161.8	0.9	115.6	L192 S193 K194 H198	L192-R196 PolarHBondContact O-N 2.96Å; L192-R196 VanDerWaalsContact O-N 3.1Å; S193-R196 WeakPolarHBondContact O-CB 3.48Å; K194-R196 VanDerWaalsContact C-N 3.34Å; R196-H198 VanDerWaalsContact C-N 3.3Å
197	Q	93.5	Very high	91.2	Very high	184 Å²	184	62.7 Å²	62.7	86%	0.86	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-77.9	-15.5	178.8	-69.1	178.9	-18.4	0	0	113.6	L195	L195-Q197 PolarHBondContact O-N 3.37Å
198	H	94.8	Very high	91.7	Very high	56 Å²	56	61.7 Å²	61.7	26%	0.259	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-111	12.2	-175.7	-59.9	-72.3	0	0	0	113.1	L195 R196 V209 D210 T212 I213	L195-H198 CarbonylContact O-C 3.57Å; L195-H198 WeakPolarHBondContact O-CA 3.3Å; L195-H198 WeakPolarHBondContact O-CB 3.47Å; L195-H198 PolarHBondContact O-N 3.5Å; R196-H198 VanDerWaalsContact C-N 3.3Å; H198-V209 CarbonylContact O-C 3.57Å; H198-V209 WeakPolarHBondContact O-CA 3.32Å; H198-D210 VanDerWaalsContact CA-OD2 3.28Å; H198-D210 WeakPolarHBondContact CA-OD2 3.36Å; H198-D210 WeakPolarHBondContact CB-OD2 3.47Å; H198-D210 IonicContact CE1-OD2 3.99Å; H198-D210 IonicContact CG-OD2 3.45Å; H198-D210 IonicContact ND1-OD1 3.62Å; H198-D210 IonicContact ND1-OD2 2.81Å; H198-D210 PolarHBondContact ND1-OD2 3.36Å; H198-D210 PolarHBondContact O-N 3.21Å; H198-T212 PolarHBondContact CE1-OG1 2.92Å; H198-T212 PolarHBondContact ND1-OG1 2.8Å; H198-I213 HydrophobicContact CB-CD1 4.28Å; H198-I213 HydrophobicContact CB-CG1 3.49Å; H198-I213 VanDerWaalsContact CB-CG1 3.49Å
199	L	93.6	Very high	92.2	Very high	57 Å²	57	59 Å²	59	30%	0.298	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.7	178.8	-62.6	-172.8	0	0	0	110.8	L166 L192 L195 V207 F208 V209	L166-L199 HydrophobicContact CD1-CD2 3.73Å; L192-L199 HydrophobicContact CD2-CD1 4.37Å; L195-L199 HydrophobicContact CB-CD2 3.88Å; L195-L199 HydrophobicContact CB-CG 4.44Å; L195-L199 WeakPolarHBondContact O-CG 3.31Å; L195-L199 PolarHBondContact O-N 2.86Å; L199-V207 HydrophobicContact CB-CG1 4.11Å; L199-V207 HydrophobicContact CD1-CG1 4.09Å; L199-V207 HydrophobicContact CD2-CG1 3.96Å; L199-V207 HydrophobicContact CG-CG1 4.26Å; L199-F208 CarbonylContact C-O 3.57Å; L199-F208 WeakPolarHBondContact CA-O 3.22Å; L199-V209 HydrophobicContact CD2-CG1 4.35Å
200	V	94	Very high	92.7	Very high	41 Å²	41	57.4 Å²	57.4	25%	0.248	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.9	172.2	-179	0	0	0	0	108.2	F208 D210	V200-F208 HydrophobicContact CB-CB 4.49Å; V200-F208 PolarHBondContact N-O 3.33Å; V200-F208 PolarHBondContact O-N 3.48Å; V200-D210 HydrophobicContact CG2-CB 4.11Å
201	C	94.7	Very high	93	Very high	68 Å²	68	58.1 Å²	58.1	46%	0.459	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127	174.1	-163.7	0	0	0	0	110.3	V206	C201-V206 WeakPolarHBondContact CA-O 2.97Å
202	S	95.8	Very high	93.3	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.028	32%	0.32	C	S	.	.			trans	-76.1	159.2	171.2	77.1	0	0	0	0	110.9	Y160 A204 G205 V206 S280	Y160-S202 VanDerWaalsContact OH-CB 3.28Å; Y160-S202 WeakPolarHBondContact OH-CB 3.27Å; S202-A204 PolarHBondContact O-N 2.96Å; S202-A204 VanDerWaalsContact O-N 3.17Å; S202-A204 PolarHBondContact OG-N 3.49Å; S202-G205 PolarHBondContact O-N 3.03Å; S202-V206 PolarHBondContact N-O 3.36Å; S202-V206 WeakPolarHBondContact OG-CB 3.39Å; S202-V206 PolarHBondContact OG-N 3.32Å; S202-V206 PolarHBondContact OG-O 3.42Å; S202-S280 WeakPolarHBondContact CB-OG 3.32Å; S202-S280 PolarHBondContact OG-OG 3.23Å
203	P	95.2	Very high	93.7	Very high	60 Å²	60	62.9 Å²	62.9	39%	0.39	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.8	177.3	-12.4	27.2	0	0	0	113.2	G205 Q283 K284 E287	P203-G205 PolarHBondContact O-N 3.26Å; P203-Q283 HydrophobicContact CB-CG 3.92Å; P203-K284 HydrophobicContact CG-CD 3.92Å; P203-E287 WeakPolarHBondContact CG-OE2 3.43Å
204	A	93.4	Very high	94	Very high	24 Å²	24	64.3 Å²	64.3	20%	0.198	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	5.6	168.7	0	0	0	0	0	112.8	S202 V206 D279 Q283	S202-A204 PolarHBondContact O-N 2.96Å; S202-A204 VanDerWaalsContact O-N 3.17Å; S202-A204 PolarHBondContact OG-N 3.49Å; A204-V206 VanDerWaalsContact C-N 3.33Å; A204-V206 HydrophobicContact CB-CG2 4.44Å; A204-V206 PolarHBondContact O-N 3.02Å; A204-D279 HydrophobicContact CB-CB 4.27Å; A204-Q283 HydrophobicContact CB-CB 4.33Å
205	G	93	Very high	94.2	Very high	26 Å²	26	59.8 Å²	59.8	27%	0.268	30%	0.304	S	S	.	.	S	Bend	trans	71.9	23.2	-179.2	0	0	0	0	0	113.8	K168 L169 S202 P203	K168-G205 CarbonylContact C-O 3.53Å; K168-G205 WeakPolarHBondContact CA-O 3.35Å; L169-G205 WeakPolarHBondContact CB-O 3.26Å; L169-G205 PolarHBondContact N-O 3.48Å; S202-G205 PolarHBondContact O-N 3.03Å; P203-G205 PolarHBondContact O-N 3.26Å
206	V	94	Very high	94.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.1	177.2	-178.8	0	0	0	0	109.4	C165 K168 C201 S202 A204 F208 E276 S280	C165-V206 WeakPolarHBondContact SG-CG1 3.14Å; K168-V206 HydrophobicContact CG-CG2 4.11Å; C201-V206 WeakPolarHBondContact CA-O 2.97Å; S202-V206 PolarHBondContact N-O 3.36Å; S202-V206 WeakPolarHBondContact OG-CB 3.39Å; S202-V206 PolarHBondContact OG-N 3.32Å; S202-V206 PolarHBondContact OG-O 3.42Å; A204-V206 VanDerWaalsContact C-N 3.33Å; A204-V206 HydrophobicContact CB-CG2 4.44Å; A204-V206 PolarHBondContact O-N 3.02Å; V206-F208 HydrophobicContact CB-CE2 3.87Å; V206-F208 HydrophobicContact CB-CZ 4.43Å; V206-F208 HydrophobicContact CG1-CD2 4.25Å; V206-F208 HydrophobicContact CG1-CE2 3.53Å; V206-F208 HydrophobicContact CG1-CZ 3.75Å; V206-E276 HydrophobicContact CG1-CB 3.92Å; V206-E276 HydrophobicContact CG2-CB 3.88Å; V206-E276 HydrophobicContact CG2-CG 4.43Å; V206-S280 WeakPolarHBondContact CB-OG 3.01Å
207	V	94.4	Very high	94.6	Very high	4 Å²	4	49 Å²	49	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.6	-178.5	-174.8	0	0	0	0	110.1	L166 G167 L169 L199	L166-V207 HydrophobicContact CB-CB 4.31Å; L166-V207 HydrophobicContact CB-CG1 4.36Å; L166-V207 HydrophobicContact CD1-CG1 4.24Å; L166-V207 PolarHBondContact N-O 2.96Å; G167-V207 PolarHBondContact O-N 3.01Å; L169-V207 HydrophobicContact CB-CG2 3.98Å; L169-V207 HydrophobicContact CD1-CG2 3.8Å; L169-V207 HydrophobicContact CG-CG2 4.48Å; L199-V207 HydrophobicContact CB-CG1 4.11Å; L199-V207 HydrophobicContact CD1-CG1 4.09Å; L199-V207 HydrophobicContact CD2-CG1 3.96Å; L199-V207 HydrophobicContact CG-CG1 4.26Å
208	F	95.9	Very high	94.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	164.2	172.6	-61.1	-97.3	0	0	0	110.1	Y160 T164 C165 L199 V200 V206 I277 S280	Y160-F208 AromaticContact CD1-CD1 3.97Å; Y160-F208 HydrophobicContact CD1-CD1 3.97Å; Y160-F208 AromaticContact CD1-CD2 3.6Å; Y160-F208 HydrophobicContact CD1-CD2 3.6Å; Y160-F208 AromaticContact CD1-CE1 3.93Å; Y160-F208 HydrophobicContact CD1-CE1 3.93Å; Y160-F208 AromaticContact CD1-CE2 3.56Å; Y160-F208 HydrophobicContact CD1-CE2 3.56Å; Y160-F208 AromaticContact CD1-CG 3.81Å; Y160-F208 HydrophobicContact CD1-CG 3.81Å; Y160-F208 AromaticContact CD1-CZ 3.73Å; Y160-F208 HydrophobicContact CD1-CZ 3.73Å; Y160-F208 AromaticContact CE1-CD2 3.65Å; Y160-F208 HydrophobicContact CE1-CD2 3.65Å; Y160-F208 AromaticContact CE1-CE2 3.69Å; Y160-F208 HydrophobicContact CE1-CE2 3.69Å; Y160-F208 HydrophobicContact CE1-CG 4.25Å; Y160-F208 HydrophobicContact CE1-CZ 4.3Å; Y160-F208 HydrophobicContact CG-CE1 4.24Å; Y160-F208 HydrophobicContact CG-CE2 4.26Å; Y160-F208 HydrophobicContact CG-CZ 4.04Å; T164-F208 CarbonylContact O-C 3.52Å; T164-F208 VanDerWaalsContact O-CA 3.28Å; T164-F208 WeakPolarHBondContact O-CA 3.24Å; C165-F208 HydrophobicContact CB-CD1 3.73Å; C165-F208 HydrophobicContact CB-CE1 3.55Å; C165-F208 HydrophobicContact CB-CZ 4.36Å; L199-F208 CarbonylContact C-O 3.57Å; L199-F208 WeakPolarHBondContact CA-O 3.22Å; V200-F208 HydrophobicContact CB-CB 4.49Å; V200-F208 PolarHBondContact N-O 3.33Å; V200-F208 PolarHBondContact O-N 3.48Å; V206-F208 HydrophobicContact CB-CE2 3.87Å; V206-F208 HydrophobicContact CB-CZ 4.43Å; V206-F208 HydrophobicContact CG1-CD2 4.25Å; V206-F208 HydrophobicContact CG1-CE2 3.53Å; V206-F208 HydrophobicContact CG1-CZ 3.75Å; F208-I277 HydrophobicContact CE1-CG1 4.23Å; F208-I277 HydrophobicContact CZ-CG1 4.47Å; F208-S280 WeakPolarHBondContact CE2-OG 3.44Å
209	V	95.6	Very high	94.8	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	147.9	163.4	-60.1	0	0	0	0	111.1	N159 T164 L166 L195 H198 L199 I213 R214	N159-V209 PolarHBondContact ND2-O 3.47Å; T164-V209 HydrophobicContact CG2-CG2 4.08Å; T164-V209 PolarHBondContact O-N 2.83Å; L166-V209 HydrophobicContact CD1-CG1 3.91Å; L166-V209 HydrophobicContact CG-CG1 4.35Å; L195-V209 HydrophobicContact CD1-CG1 3.98Å; H198-V209 CarbonylContact O-C 3.57Å; H198-V209 WeakPolarHBondContact O-CA 3.32Å; L199-V209 HydrophobicContact CD2-CG1 4.35Å; V209-I213 HydrophobicContact CB-CB 4.35Å; V209-I213 HydrophobicContact CB-CG2 4.32Å; V209-I213 HydrophobicContact CG1-CG2 4.49Å; V209-I213 HydrophobicContact CG2-CG2 4.41Å; V209-R214 HydrophobicContact CG2-CB 4.11Å
210	D	94.7	Very high	94.9	Very high	27 Å²	27	37.8 Å²	37.8	14%	0.144	21%	0.208	C	C	.	.			trans	-65.7	171.7	169.8	72.9	26.9	0	0	0	112.7	N159 H198 V200 T212 I213 R214	N159-D210 PolarHBondContact ND2-O 3.4Å; H198-D210 VanDerWaalsContact CA-OD2 3.28Å; H198-D210 WeakPolarHBondContact CA-OD2 3.36Å; H198-D210 WeakPolarHBondContact CB-OD2 3.47Å; H198-D210 IonicContact CE1-OD2 3.99Å; H198-D210 IonicContact CG-OD2 3.45Å; H198-D210 IonicContact ND1-OD1 3.62Å; H198-D210 IonicContact ND1-OD2 2.81Å; H198-D210 PolarHBondContact ND1-OD2 3.36Å; H198-D210 PolarHBondContact O-N 3.21Å; V200-D210 HydrophobicContact CG2-CB 4.11Å; D210-T212 VanDerWaalsContact C-N 3.3Å; D210-T212 VanDerWaalsContact CG-OG1 3.24Å; D210-T212 WeakPolarHBondContact OD1-CA 3.43Å; D210-T212 WeakPolarHBondContact OD1-CB 3.25Å; D210-T212 PolarHBondContact OD1-N 3.17Å; D210-T212 PolarHBondContact OD1-OG1 2.98Å; D210-T212 PolarHBondContact OD2-OG1 3.24Å; D210-I213 PolarHBondContact OD1-N 3.16Å; D210-R214 PolarHBondContact O-N 2.91Å
211	D	93.6	Very high	95	Very high	85 Å²	85	35.9 Å²	35.9	46%	0.455	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.7	-179.5	64	-14.4	0	0	0	114.1	N159 I213 R215	N159-D211 PolarHBondContact ND2-N 3.46Å; D211-I213 VanDerWaalsContact C-N 3.34Å; D211-R215 IonicContact OD2-CZ 3.96Å; D211-R215 IonicContact OD2-NH1 2.77Å; D211-R215 PolarHBondContact OD2-NH1 3.48Å
212	T	94.8	Very high	95.1	Very high	99 Å²	99	32.7 Å²	32.7	61%	0.607	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-32.4	172.5	80.6	0	0	0	0	111.7	H198 D210	H198-T212 PolarHBondContact CE1-OG1 2.92Å; H198-T212 PolarHBondContact ND1-OG1 2.8Å; D210-T212 VanDerWaalsContact C-N 3.3Å; D210-T212 VanDerWaalsContact CG-OG1 3.24Å; D210-T212 WeakPolarHBondContact OD1-CA 3.43Å; D210-T212 WeakPolarHBondContact OD1-CB 3.25Å; D210-T212 PolarHBondContact OD1-N 3.17Å; D210-T212 PolarHBondContact OD1-OG1 2.98Å; D210-T212 PolarHBondContact OD2-OG1 3.24Å
213	I	94.5	Very high	95.1	Very high	78 Å²	78	34 Å²	34	40%	0.4	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-43.4	173	-64	-62.7	0	0	0	111.5	L195 H198 V209 D210 D211	L195-I213 HydrophobicContact CD2-CD1 3.92Å; L195-I213 HydrophobicContact CD2-CG1 4.07Å; L195-I213 HydrophobicContact CD2-CG2 4.08Å; H198-I213 HydrophobicContact CB-CD1 4.28Å; H198-I213 HydrophobicContact CB-CG1 3.49Å; H198-I213 VanDerWaalsContact CB-CG1 3.49Å; V209-I213 HydrophobicContact CB-CB 4.35Å; V209-I213 HydrophobicContact CB-CG2 4.32Å; V209-I213 HydrophobicContact CG1-CG2 4.49Å; V209-I213 HydrophobicContact CG2-CG2 4.41Å; D210-I213 PolarHBondContact OD1-N 3.16Å; D211-I213 VanDerWaalsContact C-N 3.34Å
214	R	93.8	Very high	95	Very high	117 Å²	117	36.1 Å²	36.1	44%	0.442	19%	0.185	S	C	.	.			trans	-163.2	117.9	-177.3	178.6	170.6	-70.9	-139	-10	112	Y108 N159 S163 T164 V209 D210 G216	Y108-R214 WeakPolarHBondContact OH-CD 3.4Å; Y108-R214 PolarHBondContact OH-NH1 3.12Å; N159-R214 PolarHBondContact ND2-O 3.32Å; S163-R214 WeakPolarHBondContact O-CD 3.48Å; T164-R214 HydrophobicContact CG2-CG 4.3Å; T164-R214 WeakPolarHBondContact CG2-O 3.35Å; V209-R214 HydrophobicContact CG2-CB 4.11Å; D210-R214 PolarHBondContact O-N 2.91Å; R214-G216 PolarHBondContact O-N 3.34Å
215	R	95.2	Very high	95.1	Very high	81 Å²	81	35.6 Å²	35.6	31%	0.306	18%	0.178	S	C	.	.			trans	-66.2	133.2	166.6	-163.8	68.1	-178.4	173.2	7.3	110.5	D211 E220	D211-R215 IonicContact OD2-CZ 3.96Å; D211-R215 IonicContact OD2-NH1 2.77Å; D211-R215 PolarHBondContact OD2-NH1 3.48Å; R215-E220 HydrophobicContact CG-CB 4.42Å
216	G	96.1	Very high	95.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.			trans	-80.7	137.8	175.5	0	0	0	0	0	113	N159 R214 L218 P219 E220	N159-G216 PolarHBondContact OD1-N 2.64Å; R214-G216 PolarHBondContact O-N 3.34Å; G216-L218 VanDerWaalsContact C-N 3.31Å; G216-L218 PolarHBondContact O-N 3.22Å; G216-P219 WeakPolarHBondContact O-CB 3.43Å; G216-P219 WeakPolarHBondContact O-CD 3.31Å; G216-E220 WeakPolarHBondContact O-CB 3.46Å; G216-E220 PolarHBondContact O-N 3.19Å
217	I	96.4	Very high	95.1	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.046	19%	0.188	C	C	.	.	H	α-helix	trans	-54.7	-40.7	175.1	-59.1	-62.1	0	0	0	112.8	M99 M102 E106 Y108 C161 S163 M221	M99-I217 HydrophobicContact CG-CG2 4.12Å; M102-I217 HydrophobicContact CB-CG2 4.03Å; E106-I217 HydrophobicContact CB-CD1 4.27Å; E106-I217 HydrophobicContact CG-CD1 3.99Å; Y108-I217 HydrophobicContact CD2-CD1 4.09Å; Y108-I217 HydrophobicContact CD2-CG1 4.11Å; Y108-I217 HydrophobicContact CE2-CD1 3.81Å; Y108-I217 HydrophobicContact CE2-CG1 3.88Å; C161-I217 PolarHBondContact SG-N 3.5Å; S163-I217 PolarHBondContact OG-N 2.8Å; I217-M221 WeakPolarHBondContact O-CB 3.42Å; I217-M221 PolarHBondContact O-N 2.96Å
218	L	96.4	Very high	95.1	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-51.8	176	-66.6	-175.3	0	0	0	112.5	M99 C161 F162 G216 E220 M221 L222 T260 T264	M99-L218 HydrophobicContact CG-CD2 4.24Å; M99-L218 HydrophobicContact SD-CD2 3.89Å; C161-L218 HydrophobicContact CB-CB 4.37Å; C161-L218 PolarHBondContact SG-N 3.12Å; F162-L218 HydrophobicContact CD2-CD1 3.84Å; F162-L218 HydrophobicContact CD2-CG 4.18Å; F162-L218 HydrophobicContact CE2-CD1 3.76Å; F162-L218 HydrophobicContact CE2-CD2 4.47Å; F162-L218 HydrophobicContact CE2-CG 4.34Å; G216-L218 VanDerWaalsContact C-N 3.31Å; G216-L218 PolarHBondContact O-N 3.22Å; L218-E220 VanDerWaalsContact C-N 3.29Å; L218-E220 PolarHBondContact O-N 3.27Å; L218-M221 HydrophobicContact CD2-CE 3.78Å; L218-M221 PolarHBondContact O-N 3.24Å; L218-L222 VanDerWaalsContact O-CB 3.31Å; L218-L222 WeakPolarHBondContact O-CB 3.35Å; L218-L222 WeakPolarHBondContact O-CD1 3.36Å; L218-L222 VanDerWaalsContact O-CG 3.23Å; L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 3.34Å; L218-T260 HydrophobicContact CD2-CG2 3.93Å; L218-T264 HydrophobicContact CD1-CG2 3.93Å
219	P	96.7	Very high	95	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-48.5	-45.4	169.3	-29.2	28.7	0	0	0	114.3	C155 C161 G216 Q223	C155-P219 WeakPolarHBondContact O-CG 3.48Å; C161-P219 HydrophobicContact CB-CG 4.29Å; G216-P219 WeakPolarHBondContact O-CB 3.43Å; G216-P219 WeakPolarHBondContact O-CD 3.31Å; P219-Q223 VanDerWaalsContact O-CB 3.29Å; P219-Q223 WeakPolarHBondContact O-CB 3.28Å; P219-Q223 PolarHBondContact O-N 3.49Å
220	E	95.6	Very high	94.8	Very high	62 Å²	62	48 Å²	48	29%	0.29	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-55.1	-180	-168.6	-176.5	177.7	0	0	111.4	M102 R215 G216 L218 L222 Q223 E224	M102-E220 HydrophobicContact CE-CB 4.11Å; M102-E220 HydrophobicContact CE-CG 3.69Å; R215-E220 HydrophobicContact CG-CB 4.42Å; G216-E220 WeakPolarHBondContact O-CB 3.46Å; G216-E220 PolarHBondContact O-N 3.19Å; L218-E220 VanDerWaalsContact C-N 3.29Å; L218-E220 PolarHBondContact O-N 3.27Å; E220-L222 VanDerWaalsContact C-N 3.28Å; E220-L222 PolarHBondContact O-N 3.37Å; E220-Q223 PolarHBondContact O-N 2.83Å; E220-Q223 VanDerWaalsContact O-N 3.09Å; E220-E224 PolarHBondContact O-N 3.28Å
221	M	95.6	Very high	94.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-53	-44.5	176.7	-175.5	-175	65.7	0	0	112.1	V95 I98 M99 M102 I217 L218 I225 T260	V95-M221 HydrophobicContact CG1-CE 4.45Å; I98-M221 HydrophobicContact CB-SD 4.02Å; I98-M221 HydrophobicContact CG2-CG 3.7Å; I98-M221 HydrophobicContact CG2-SD 3.7Å; M99-M221 HydrophobicContact CB-SD 4.06Å; M102-M221 HydrophobicContact CE-CB 4.19Å; M102-M221 HydrophobicContact SD-CB 3.49Å; M102-M221 WeakPolarHBondContact SD-CB 3.35Å; M102-M221 HydrophobicContact SD-CG 3.76Å; I217-M221 WeakPolarHBondContact O-CB 3.42Å; I217-M221 PolarHBondContact O-N 2.96Å; L218-M221 HydrophobicContact CD2-CE 3.78Å; L218-M221 PolarHBondContact O-N 3.24Å; M221-I225 HydrophobicContact CG-CD1 3.82Å; M221-I225 WeakPolarHBondContact O-CB 3.38Å; M221-I225 WeakPolarHBondContact O-CD1 3.38Å; M221-I225 WeakPolarHBondContact O-CG1 3.23Å; M221-I225 PolarHBondContact O-N 3.22Å; M221-T260 HydrophobicContact CE-CG2 3.58Å
222	L	96.6	Very high	94.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-70.3	-38.5	-179.5	-71.1	167.1	0	0	0	111.9	P152 C155 I156 L218 E220 I225 L226 A257 T260	P152-L222 HydrophobicContact CB-CD2 4.14Å; P152-L222 HydrophobicContact CG-CD2 4.33Å; C155-L222 HydrophobicContact CB-CD1 3.61Å; I156-L222 HydrophobicContact CD1-CB 3.93Å; I156-L222 HydrophobicContact CG1-CB 3.92Å; L218-L222 VanDerWaalsContact O-CB 3.31Å; L218-L222 WeakPolarHBondContact O-CB 3.35Å; L218-L222 WeakPolarHBondContact O-CD1 3.36Å; L218-L222 VanDerWaalsContact O-CG 3.23Å; L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 3.34Å; E220-L222 VanDerWaalsContact C-N 3.28Å; E220-L222 PolarHBondContact O-N 3.37Å; L222-I225 PolarHBondContact O-N 3.03Å; L222-L226 WeakPolarHBondContact O-CB 3.28Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.48Å; L222-L226 PolarHBondContact O-N 2.72Å; L222-A257 HydrophobicContact CD2-CB 4.42Å; L222-T260 HydrophobicContact CD1-CG2 4.06Å; L222-T260 HydrophobicContact CD2-CG2 4.04Å; L222-T260 HydrophobicContact CG-CG2 4.23Å
223	Q	95.3	Very high	94.5	Very high	31 Å²	31	48.2 Å²	48.2	15%	0.145	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-45.5	175.7	-175	68.8	77.4	0	0	111.2	I156 P219 E220 L226 N227 Y343	I156-Q223 HydrophobicContact CD1-CB 4.23Å; I156-Q223 HydrophobicContact CG1-CB 4.43Å; I156-Q223 VanDerWaalsContact CG2-OE1 3.23Å; P219-Q223 VanDerWaalsContact O-CB 3.29Å; P219-Q223 WeakPolarHBondContact O-CB 3.28Å; P219-Q223 PolarHBondContact O-N 3.49Å; E220-Q223 PolarHBondContact O-N 2.83Å; E220-Q223 VanDerWaalsContact O-N 3.09Å; Q223-L226 PolarHBondContact O-N 3.42Å; Q223-N227 PolarHBondContact NE2-ND2 3.14Å; Q223-N227 PolarHBondContact NE2-OD1 3.44Å; Q223-N227 VanDerWaalsContact O-CB 3.29Å; Q223-N227 WeakPolarHBondContact O-CB 3.04Å; Q223-N227 PolarHBondContact O-N 2.96Å; Q223-N227 PolarHBondContact O-ND2 3.45Å; Q223-N227 PolarHBondContact O-OD1 2.91Å; Q223-Y343 PolarHBondContact NE2-OH 3.01Å
224	E	94	Very high	94.4	Very high	105 Å²	105	50.6 Å²	50.6	49%	0.491	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-45.8	175.6	-69.6	-166	145.4	0	0	112.1	E220 L226 N227 T228	E220-E224 PolarHBondContact O-N 3.28Å; E224-L226 PolarHBondContact O-N 3.07Å; E224-N227 PolarHBondContact O-N 3.2Å; E224-T228 WeakPolarHBondContact O-CB 3.01Å; E224-T228 PolarHBondContact O-N 2.98Å; E224-T228 PolarHBondContact O-OG1 2.95Å
225	I	94.5	Very high	94.4	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.062	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-44.3	178.9	-73.9	169	0	0	0	111.3	M221 L222 R229 L253 I256 A257	M221-I225 HydrophobicContact CG-CD1 3.82Å; M221-I225 WeakPolarHBondContact O-CB 3.38Å; M221-I225 WeakPolarHBondContact O-CD1 3.38Å; M221-I225 WeakPolarHBondContact O-CG1 3.23Å; M221-I225 PolarHBondContact O-N 3.22Å; L222-I225 PolarHBondContact O-N 3.03Å; I225-R229 WeakPolarHBondContact O-CB 3.37Å; I225-R229 PolarHBondContact O-N 2.88Å; I225-L253 HydrophobicContact CB-CD2 4.28Å; I225-L253 HydrophobicContact CG1-CD2 4.26Å; I225-L253 HydrophobicContact CG2-CB 4.22Å; I225-L253 HydrophobicContact CG2-CD2 3.91Å; I225-L253 WeakPolarHBondContact CG2-O 3.4Å; I225-I256 HydrophobicContact CD1-CB 4.16Å; I225-I256 HydrophobicContact CD1-CG2 3.5Å; I225-A257 HydrophobicContact CG2-CB 4.06Å
226	L	93.1	Very high	94.2	Very high	20 Å²	20	44.7 Å²	44.7	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-45.2	178.5	-69.8	-179.3	0	0	0	111.7	P152 I156 L222 Q223 E224 R229 I230 A257	P152-L226 HydrophobicContact CB-CD1 4.14Å; I156-L226 HydrophobicContact CD1-CD1 3.65Å; L222-L226 WeakPolarHBondContact O-CB 3.28Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.48Å; L222-L226 PolarHBondContact O-N 2.72Å; Q223-L226 PolarHBondContact O-N 3.42Å; E224-L226 PolarHBondContact O-N 3.07Å; L226-R229 WeakPolarHBondContact O-CB 3.46Å; L226-R229 PolarHBondContact O-N 3.29Å; L226-I230 WeakPolarHBondContact O-CG1 3.37Å; L226-I230 PolarHBondContact O-N 2.75Å; L226-A257 HydrophobicContact CD2-CB 4.41Å
227	N	93.9	Very high	93.8	Very high	72 Å²	72	53.7 Å²	53.7	39%	0.385	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-47.6	177.1	-71.5	-5.9	0	0	0	111.3	Q223 E224 R229 I230 M231	Q223-N227 PolarHBondContact NE2-ND2 3.14Å; Q223-N227 PolarHBondContact NE2-OD1 3.44Å; Q223-N227 VanDerWaalsContact O-CB 3.29Å; Q223-N227 WeakPolarHBondContact O-CB 3.04Å; Q223-N227 PolarHBondContact O-N 2.96Å; Q223-N227 PolarHBondContact O-ND2 3.45Å; Q223-N227 PolarHBondContact O-OD1 2.91Å; E224-N227 PolarHBondContact O-N 3.2Å; N227-R229 VanDerWaalsContact C-N 3.28Å; N227-R229 PolarHBondContact O-N 2.96Å; N227-I230 PolarHBondContact O-N 3.02Å; N227-M231 PolarHBondContact O-N 3.4Å
228	T	94	Very high	93.5	Very high	53 Å²	53	58.3 Å²	58.3	33%	0.325	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-39	176	-56.8	0	0	0	0	111.1	E224 M231 V232 L253	E224-T228 WeakPolarHBondContact O-CB 3.01Å; E224-T228 PolarHBondContact O-N 2.98Å; E224-T228 PolarHBondContact O-OG1 2.95Å; T228-M231 HydrophobicContact CG2-CE 4.35Å; T228-M231 PolarHBondContact O-N 3.34Å; T228-V232 HydrophobicContact CG2-CG2 4.31Å; T228-V232 WeakPolarHBondContact O-CB 2.94Å; T228-V232 VanDerWaalsContact O-CG2 3.3Å; T228-V232 WeakPolarHBondContact O-CG2 3.37Å; T228-V232 PolarHBondContact O-N 2.96Å; T228-L253 HydrophobicContact CG2-CD1 3.87Å; T228-L253 HydrophobicContact CG2-CD2 4.33Å
229	R	93.8	Very high	93.1	Very high	38 Å²	38	64.2 Å²	64.2	14%	0.143	30%	0.303	C	S	.	.	H	α-helix	trans	-67.4	-36.2	177.8	-175.4	175.1	170.8	-119.5	1.5	112.5	I225 L226 N227 K233 Q250 L253	I225-R229 WeakPolarHBondContact O-CB 3.37Å; I225-R229 PolarHBondContact O-N 2.88Å; L226-R229 WeakPolarHBondContact O-CB 3.46Å; L226-R229 PolarHBondContact O-N 3.29Å; N227-R229 VanDerWaalsContact C-N 3.28Å; N227-R229 PolarHBondContact O-N 2.96Å; R229-K233 WeakPolarHBondContact O-CB 3.27Å; R229-K233 WeakPolarHBondContact O-CG 3.14Å; R229-K233 PolarHBondContact O-N 3.46Å; R229-Q250 HydrophobicContact CG-CB 4.47Å; R229-L253 HydrophobicContact CB-CB 3.97Å; R229-L253 HydrophobicContact CB-CD1 3.97Å; R229-L253 HydrophobicContact CG-CB 4.2Å
230	I	91.5	Very high	92.2	Very high	117 Å²	117	68.1 Å²	68.1	60%	0.6	34%	0.335	S	S	*	.	H	α-helix	trans	-64.3	-47.8	172.9	-67.5	162.9	0	0	0	109.7	L226 N227 K233 K234	L226-I230 WeakPolarHBondContact O-CG1 3.37Å; L226-I230 PolarHBondContact O-N 2.75Å; N227-I230 PolarHBondContact O-N 3.02Å; I230-K233 PolarHBondContact O-N 2.69Å; I230-K234 PolarHBondContact O-N 2.93Å
231	M	93.4	Very high	91.5	Very high	115 Å²	115	70.2 Å²	70.2	57%	0.567	36%	0.357	S	S	*	.	H	α-helix	trans	-58.3	-51.3	176.4	-177.6	-179.5	68.2	0	0	112	N227 T228 K233 K234 C235	N227-M231 PolarHBondContact O-N 3.4Å; T228-M231 HydrophobicContact CG2-CE 4.35Å; T228-M231 PolarHBondContact O-N 3.34Å; M231-K233 VanDerWaalsContact C-N 3.31Å; M231-K233 PolarHBondContact O-N 3.26Å; M231-K234 WeakPolarHBondContact O-CB 3.09Å; M231-K234 PolarHBondContact O-N 3.14Å; M231-C235 PolarHBondContact O-N 2.74Å; M231-C235 PolarHBondContact O-SG 2.85Å
232	V	93.1	Very high	90.7	Very high	8 Å²	8	73.9 Å²	73.9	5%	0.048	38%	0.376	C	S	.	.	H	α-helix	trans	-58.1	-43	177.9	171	0	0	0	0	111.1	T228 K234 C235 M236 L246 R249 Q250 L253	T228-V232 HydrophobicContact CG2-CG2 4.31Å; T228-V232 WeakPolarHBondContact O-CB 2.94Å; T228-V232 VanDerWaalsContact O-CG2 3.3Å; T228-V232 WeakPolarHBondContact O-CG2 3.37Å; T228-V232 PolarHBondContact O-N 2.96Å; V232-K234 VanDerWaalsContact C-N 3.32Å; V232-K234 PolarHBondContact O-N 3.37Å; V232-C235 PolarHBondContact O-N 2.68Å; V232-M236 HydrophobicContact CG1-SD 4.5Å; V232-M236 WeakPolarHBondContact O-CG 3.21Å; V232-M236 PolarHBondContact O-N 3.19Å; V232-L246 HydrophobicContact CG1-CB 4.17Å; V232-L246 HydrophobicContact CG1-CD2 4.27Å; V232-L246 VanDerWaalsContact CG1-O 3.26Å; V232-L246 WeakPolarHBondContact CG1-O 3.4Å; V232-R249 HydrophobicContact CG1-CB 4.01Å; V232-R249 HydrophobicContact CG2-CB 4.42Å; V232-Q250 HydrophobicContact CG1-CB 4Å; V232-L253 HydrophobicContact CG2-CD1 4.23Å
233	K	92	Very high	90.1	Very high	91 Å²	91	80 Å²	80	40%	0.396	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-31.2	175.9	-81.8	-176.5	166.8	-166.1	0	113.7	R229 I230 M231 Q250	R229-K233 WeakPolarHBondContact O-CB 3.27Å; R229-K233 WeakPolarHBondContact O-CG 3.14Å; R229-K233 PolarHBondContact O-N 3.46Å; I230-K233 PolarHBondContact O-N 2.69Å; M231-K233 VanDerWaalsContact C-N 3.31Å; M231-K233 PolarHBondContact O-N 3.26Å; K233-Q250 HydrophobicContact CG-CB 4.34Å
234	K	91.9	Very high	89.4	Confident	129 Å²	129	81.8 Å²	81.8	56%	0.561	42%	0.416	S	S	*	.	H	α-helix	trans	-67	-51.1	171.2	-177.7	178.5	169.6	-178.5	0	109.9	I230 M231 V232 M236 K237 E238	I230-K234 PolarHBondContact O-N 2.93Å; M231-K234 WeakPolarHBondContact O-CB 3.09Å; M231-K234 PolarHBondContact O-N 3.14Å; V232-K234 VanDerWaalsContact C-N 3.32Å; V232-K234 PolarHBondContact O-N 3.37Å; K234-M236 PolarHBondContact O-N 3.27Å; K234-K237 WeakPolarHBondContact O-CB 3.47Å; K234-K237 PolarHBondContact O-N 2.9Å; K234-E238 WeakPolarHBondContact CE-OE1 3.26Å; K234-E238 WeakPolarHBondContact CG-OE1 3.2Å; K234-E238 IonicContact NZ-OE1 3.96Å; K234-E238 PolarHBondContact O-N 3.46Å
235	C	92.7	Very high	88.9	Confident	37 Å²	37	79.7 Å²	79.7	25%	0.25	41%	0.408	C	S	.	.	H	α-helix	trans	-58.2	-33	176.9	-58.2	0	0	0	0	113	M231 V232 K237 E238 Y239 L246	M231-C235 PolarHBondContact O-N 2.74Å; M231-C235 PolarHBondContact O-SG 2.85Å; V232-C235 PolarHBondContact O-N 2.68Å; C235-K237 PolarHBondContact O-N 3.49Å; C235-E238 PolarHBondContact O-N 2.74Å; C235-Y239 HydrophobicContact CB-CD2 4.3Å; C235-Y239 WeakPolarHBondContact O-CD2 3.38Å; C235-Y239 PolarHBondContact O-N 2.81Å; C235-L246 HydrophobicContact CB-CD1 4.04Å
236	M	90.6	Very high	88.7	Confident	36 Å²	36	80 Å²	80	18%	0.177	41%	0.409	C	S	.	.	H	α-helix	trans	-62.3	-27.2	174.6	-75.7	177.8	77.2	0	0	114.3	V232 K234 K243 L246 D247 Q250	V232-M236 HydrophobicContact CG1-SD 4.5Å; V232-M236 WeakPolarHBondContact O-CG 3.21Å; V232-M236 PolarHBondContact O-N 3.19Å; K234-M236 PolarHBondContact O-N 3.27Å; M236-K243 HydrophobicContact CE-CG 4.48Å; M236-L246 HydrophobicContact CG-CB 3.35Å; M236-L246 HydrophobicContact CG-CD1 4.14Å; M236-L246 HydrophobicContact CG-CG 4.38Å; M236-L246 HydrophobicContact SD-CB 4.24Å; M236-D247 HydrophobicContact CE-CB 3.67Å; M236-Q250 HydrophobicContact CE-CG 4.36Å; M236-Q250 HydrophobicContact SD-CB 4.25Å; M236-Q250 HydrophobicContact SD-CG 3.66Å
237	K	89.2	Confident	88.5	Confident	189 Å²	189	80.8 Å²	80.8	82%	0.822	41%	0.413	S	S	*	.	H	α-helix	trans	-81.7	-35.6	176.8	-64.9	-178.3	176.8	-170.7	0	111.5	K234 C235	K234-K237 WeakPolarHBondContact O-CB 3.47Å; K234-K237 PolarHBondContact O-N 2.9Å; C235-K237 PolarHBondContact O-N 3.49Å
238	E	89.8	Confident	88.1	Confident	107 Å²	107	77.3 Å²	77.3	50%	0.5	40%	0.395	S	S	.	.	H	α-helix	trans	-80	-40.3	-178.1	-67.3	167.3	-173.2	0	0	112.3	K234 C235	K234-E238 WeakPolarHBondContact CE-OE1 3.26Å; K234-E238 WeakPolarHBondContact CG-OE1 3.2Å; K234-E238 IonicContact NZ-OE1 3.96Å; K234-E238 PolarHBondContact O-N 3.46Å; C235-E238 PolarHBondContact O-N 2.74Å
239	Y	88.2	Confident	88	Confident	125 Å²	125	79.5 Å²	79.5	49%	0.49	40%	0.397	S	S	.	.			trans	-114	77.4	-171.2	-60.6	-85.1	0	0	0	112.3	C235 S241 N242	C235-Y239 HydrophobicContact CB-CD2 4.3Å; C235-Y239 WeakPolarHBondContact O-CD2 3.38Å; C235-Y239 PolarHBondContact O-N 2.81Å; Y239-S241 PolarHBondContact O-N 2.71Å; Y239-N242 PolarHBondContact O-N 3.12Å; Y239-N242 VanDerWaalsContact O-N 3.15Å
240	A	78.2	Confident	88	Confident	82 Å²	82	79 Å²	79	68%	0.678	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-57.1	-31.3	-179.5	0	0	0	0	0	114.1	N242 K243	A240-N242 VanDerWaalsContact C-N 3.34Å; A240-N242 PolarHBondContact O-N 3.36Å; A240-K243 VanDerWaalsContact O-CB 3.28Å; A240-K243 WeakPolarHBondContact O-CB 3.38Å; A240-K243 PolarHBondContact O-N 3.01Å
241	S	80.2	Confident	87.9	Confident	105 Å²	105	77.5 Å²	77.5	73%	0.734	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-61.8	-36.5	177.5	50.4	0	0	0	0	113.5	Y239	Y239-S241 PolarHBondContact O-N 2.71Å
242	N	79.7	Confident	87.9	Confident	79 Å²	79	72 Å²	72	42%	0.422	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-96	12.3	-176.9	-71.1	-26	0	0	0	113.2	Y239 A240 V244 I245 L246	Y239-N242 PolarHBondContact O-N 3.12Å; Y239-N242 VanDerWaalsContact O-N 3.15Å; A240-N242 VanDerWaalsContact C-N 3.34Å; A240-N242 PolarHBondContact O-N 3.36Å; N242-V244 VanDerWaalsContact C-N 3.27Å; N242-V244 PolarHBondContact O-N 3.09Å; N242-V244 VanDerWaalsContact O-N 3.13Å; N242-I245 PolarHBondContact O-N 3.24Å; N242-L246 HydrophobicContact CB-CD1 4.04Å; N242-L246 HydrophobicContact CB-CG 4.26Å; N242-L246 WeakPolarHBondContact O-CG 3.23Å; N242-L246 PolarHBondContact O-N 3.12Å
243	K	83.3	Confident	87.9	Confident	128 Å²	128	71.9 Å²	71.9	56%	0.557	36%	0.36	S	S	*	.	H	α-helix	trans	-54.5	-36.9	-171.5	-175	175.1	-179.7	179.1	0	113.8	M236 A240 D247	M236-K243 HydrophobicContact CE-CG 4.48Å; A240-K243 VanDerWaalsContact O-CB 3.28Å; A240-K243 WeakPolarHBondContact O-CB 3.38Å; A240-K243 PolarHBondContact O-N 3.01Å; K243-D247 WeakPolarHBondContact O-CB 3.42Å; K243-D247 PolarHBondContact O-N 3.44Å
244	V	80.2	Confident	88	Confident	70 Å²	70	72.4 Å²	72.4	42%	0.424	36%	0.362	S	S	.	.	H	α-helix	trans	-71	-44.5	-177.8	-162.8	0	0	0	0	112.1	D67 N242 D247 A248	D67-V244 HydrophobicContact CB-CG1 3.76Å; D67-V244 WeakPolarHBondContact OD2-CG1 3.38Å; N242-V244 VanDerWaalsContact C-N 3.27Å; N242-V244 PolarHBondContact O-N 3.09Å; N242-V244 VanDerWaalsContact O-N 3.13Å; V244-D247 PolarHBondContact O-N 3.36Å; V244-A248 PolarHBondContact O-N 3.18Å
245	I	84.1	Confident	88	Confident	61 Å²	61	69.4 Å²	69.4	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-46.6	176.3	-64.7	174.6	0	0	0	110.2	E74 N242 A248 R249	E74-I245 HydrophobicContact CG-CG2 3.95Å; N242-I245 PolarHBondContact O-N 3.24Å; I245-A248 WeakPolarHBondContact O-CB 3.39Å; I245-A248 PolarHBondContact O-N 2.79Å; I245-R249 PolarHBondContact O-N 3.29Å; I245-R249 VanDerWaalsContact O-N 3.12Å
246	L	89.4	Confident	88	Confident	18 Å²	18	67.7 Å²	67.7	9%	0.094	34%	0.34	C	S	.	.	H	α-helix	trans	-70.3	-33.2	-179.5	-63.5	173.4	0	0	0	112.1	V232 C235 M236 N242 R249 Q250	V232-L246 HydrophobicContact CG1-CB 4.17Å; V232-L246 HydrophobicContact CG1-CD2 4.27Å; V232-L246 VanDerWaalsContact CG1-O 3.26Å; V232-L246 WeakPolarHBondContact CG1-O 3.4Å; C235-L246 HydrophobicContact CB-CD1 4.04Å; M236-L246 HydrophobicContact CG-CB 3.35Å; M236-L246 HydrophobicContact CG-CD1 4.14Å; M236-L246 HydrophobicContact CG-CG 4.38Å; M236-L246 HydrophobicContact SD-CB 4.24Å; N242-L246 HydrophobicContact CB-CD1 4.04Å; N242-L246 HydrophobicContact CB-CG 4.26Å; N242-L246 WeakPolarHBondContact O-CG 3.23Å; N242-L246 PolarHBondContact O-N 3.12Å; L246-R249 PolarHBondContact O-N 2.77Å; L246-Q250 PolarHBondContact O-N 3.03Å
247	D	89	Confident	88.2	Confident	36 Å²	36	66 Å²	66	19%	0.193	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-41.9	170.9	-176.9	51.4	0	0	0	111.8	R71 M236 K243 V244 R249 Q250 M251	R71-D247 IonicContact NH2-OD2 3.86Å; R71-D247 PolarHBondContact NH2-OD2 3.41Å; M236-D247 HydrophobicContact CE-CB 3.67Å; K243-D247 WeakPolarHBondContact O-CB 3.42Å; K243-D247 PolarHBondContact O-N 3.44Å; V244-D247 PolarHBondContact O-N 3.36Å; D247-R249 VanDerWaalsContact C-N 3.31Å; D247-R249 PolarHBondContact O-N 3.48Å; D247-Q250 WeakPolarHBondContact O-CG 3.43Å; D247-Q250 PolarHBondContact O-N 3.42Å; D247-Q250 PolarHBondContact OD1-NE2 3.36Å; D247-M251 VanDerWaalsContact O-CB 3.23Å; D247-M251 WeakPolarHBondContact O-CB 3.37Å; D247-M251 PolarHBondContact O-N 3.03Å
248	A	86.8	Confident	88.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56	-46.4	173.5	0	0	0	0	0	111.7	R71 E74 V244 I245 M251 G252	R71-A248 HydrophobicContact CB-CB 4.15Å; R71-A248 HydrophobicContact CG-CB 3.69Å; E74-A248 HydrophobicContact CB-CB 4.23Å; V244-A248 PolarHBondContact O-N 3.18Å; I245-A248 WeakPolarHBondContact O-CB 3.39Å; I245-A248 PolarHBondContact O-N 2.79Å; A248-M251 PolarHBondContact O-N 2.88Å; A248-G252 PolarHBondContact O-N 2.99Å
249	R	91.4	Very high	88.4	Confident	99 Å²	99	57.4 Å²	57.4	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-50.3	177.3	-70.2	-178.6	-176.8	-178.4	1.9	112.3	E74 V232 I245 L246 D247 M251 G252 L253	E74-R249 HydrophobicContact CB-CG 4.48Å; E74-R249 IonicContact OE1-NH2 3.87Å; E74-R249 IonicContact OE2-CZ 3.13Å; E74-R249 IonicContact OE2-NE 2.68Å; E74-R249 PolarHBondContact OE2-NE 2.98Å; E74-R249 IonicContact OE2-NH2 2.72Å; E74-R249 PolarHBondContact OE2-NH2 3.15Å; V232-R249 HydrophobicContact CG1-CB 4.01Å; V232-R249 HydrophobicContact CG2-CB 4.42Å; I245-R249 PolarHBondContact O-N 3.29Å; I245-R249 VanDerWaalsContact O-N 3.12Å; L246-R249 PolarHBondContact O-N 2.77Å; D247-R249 VanDerWaalsContact C-N 3.31Å; D247-R249 PolarHBondContact O-N 3.48Å; R249-M251 VanDerWaalsContact C-N 3.28Å; R249-M251 PolarHBondContact O-N 3.02Å; R249-G252 PolarHBondContact O-N 3.47Å; R249-L253 WeakPolarHBondContact O-CB 3.23Å; R249-L253 VanDerWaalsContact O-CG 3.31Å; R249-L253 WeakPolarHBondContact O-CG 3.19Å; R249-L253 PolarHBondContact O-N 2.99Å
250	Q	92.8	Very high	88.7	Confident	27 Å²	27	51.6 Å²	51.6	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-32.1	-179	77.3	78.7	28.9	0	0	112.4	R229 V232 K233 M236 L246 D247 K254	R229-Q250 HydrophobicContact CG-CB 4.47Å; V232-Q250 HydrophobicContact CG1-CB 4Å; K233-Q250 HydrophobicContact CG-CB 4.34Å; M236-Q250 HydrophobicContact CE-CG 4.36Å; M236-Q250 HydrophobicContact SD-CB 4.25Å; M236-Q250 HydrophobicContact SD-CG 3.66Å; L246-Q250 PolarHBondContact O-N 3.03Å; D247-Q250 WeakPolarHBondContact O-CG 3.43Å; D247-Q250 PolarHBondContact O-N 3.42Å; D247-Q250 PolarHBondContact OD1-NE2 3.36Å; Q250-K254 WeakPolarHBondContact O-CB 3.4Å; Q250-K254 PolarHBondContact O-N 3.34Å
251	M	90.1	Very high	89.4	Confident	86 Å²	86	50.4 Å²	50.4	42%	0.424	26%	0.255	S	S	.	.	H	α-helix	trans	-69.2	-43.4	174.7	-170.8	-178.8	-61.1	0	0	111.4	M75 D247 A248 R249 K254 L255	M75-M251 HydrophobicContact CE-CB 4.49Å; M75-M251 HydrophobicContact CE-CG 4.46Å; M75-M251 HydrophobicContact CE-SD 4.47Å; D247-M251 VanDerWaalsContact O-CB 3.23Å; D247-M251 WeakPolarHBondContact O-CB 3.37Å; D247-M251 PolarHBondContact O-N 3.03Å; A248-M251 PolarHBondContact O-N 2.88Å; R249-M251 VanDerWaalsContact C-N 3.28Å; R249-M251 PolarHBondContact O-N 3.02Å; M251-K254 PolarHBondContact O-N 3.39Å; M251-L255 WeakPolarHBondContact O-CB 3.4Å; M251-L255 PolarHBondContact O-N 3.43Å
252	G	92.2	Very high	89.9	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-46.3	173.2	0	0	0	0	0	112.5	A248 R249 L255 I256	A248-G252 PolarHBondContact O-N 2.99Å; R249-G252 PolarHBondContact O-N 3.47Å; G252-L255 WeakPolarHBondContact O-CB 3.47Å; G252-L255 PolarHBondContact O-N 3.31Å; G252-I256 PolarHBondContact O-N 3.14Å
253	L	94.5	Very high	90.6	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-43.9	175.7	-70.1	162.4	0	0	0	112.1	L78 I225 T228 R229 V232 R249 L255 I256 A257	L78-L253 HydrophobicContact CD1-CD2 3.76Å; L78-L253 HydrophobicContact CD1-CG 4.15Å; L78-L253 HydrophobicContact CD2-CD2 4.23Å; L78-L253 HydrophobicContact CD2-CG 3.91Å; I225-L253 HydrophobicContact CB-CD2 4.28Å; I225-L253 HydrophobicContact CG1-CD2 4.26Å; I225-L253 HydrophobicContact CG2-CB 4.22Å; I225-L253 HydrophobicContact CG2-CD2 3.91Å; I225-L253 WeakPolarHBondContact CG2-O 3.4Å; T228-L253 HydrophobicContact CG2-CD1 3.87Å; T228-L253 HydrophobicContact CG2-CD2 4.33Å; R229-L253 HydrophobicContact CB-CB 3.97Å; R229-L253 HydrophobicContact CB-CD1 3.97Å; R229-L253 HydrophobicContact CG-CB 4.2Å; V232-L253 HydrophobicContact CG2-CD1 4.23Å; R249-L253 WeakPolarHBondContact O-CB 3.23Å; R249-L253 VanDerWaalsContact O-CG 3.31Å; R249-L253 WeakPolarHBondContact O-CG 3.19Å; R249-L253 PolarHBondContact O-N 2.99Å; L253-L255 VanDerWaalsContact C-N 3.3Å; L253-L255 PolarHBondContact O-N 3.48Å; L253-I256 PolarHBondContact O-N 2.87Å; L253-A257 PolarHBondContact O-N 3.42Å; L253-A257 VanDerWaalsContact O-N 3.14Å
254	K	93.3	Very high	91.1	Very high	101 Å²	101	37.4 Å²	37.4	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-59	-43.5	174.1	-174.7	-174.1	177.3	-177.8	0	110.9	Q250 M251 N258	Q250-K254 WeakPolarHBondContact O-CB 3.4Å; Q250-K254 PolarHBondContact O-N 3.34Å; M251-K254 PolarHBondContact O-N 3.39Å; K254-N258 WeakPolarHBondContact O-CB 3.2Å; K254-N258 PolarHBondContact O-N 2.9Å; K254-N258 VanDerWaalsContact O-N 3.16Å; K254-N258 PolarHBondContact O-OD1 2.85Å
255	L	92	Very high	91.6	Very high	66 Å²	66	35.7 Å²	35.7	35%	0.346	18%	0.182	S	C	.	.	H	α-helix	trans	-60.4	-53.3	-179.9	179.8	65.1	0	0	0	110.6	M251 G252 L253 A257 N258 V259	M251-L255 WeakPolarHBondContact O-CB 3.4Å; M251-L255 PolarHBondContact O-N 3.43Å; G252-L255 WeakPolarHBondContact O-CB 3.47Å; G252-L255 PolarHBondContact O-N 3.31Å; L253-L255 VanDerWaalsContact C-N 3.3Å; L253-L255 PolarHBondContact O-N 3.48Å; L255-A257 PolarHBondContact O-N 3.48Å; L255-N258 PolarHBondContact O-N 3.02Å; L255-V259 HydrophobicContact CD1-CG1 3.93Å; L255-V259 HydrophobicContact CG-CG1 4.48Å; L255-V259 WeakPolarHBondContact O-CG2 3.46Å; L255-V259 PolarHBondContact O-N 3.49Å
256	I	93.5	Very high	91.8	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-52.1	-178.4	-59.7	-62.2	0	0	0	111.1	F79 R94 I98 I225 G252 L253 N258 V259 T260	F79-I256 HydrophobicContact CD1-CD1 3.76Å; F79-I256 HydrophobicContact CD1-CG1 3.7Å; F79-I256 HydrophobicContact CE1-CD1 3.59Å; F79-I256 HydrophobicContact CE1-CG1 3.29Å; F79-I256 HydrophobicContact CG-CD1 4.41Å; F79-I256 HydrophobicContact CZ-CD1 4.08Å; F79-I256 HydrophobicContact CZ-CG1 4.09Å; R94-I256 HydrophobicContact CB-CD1 3.54Å; I98-I256 HydrophobicContact CD1-CD1 4.36Å; I98-I256 HydrophobicContact CD1-CG1 4.14Å; I98-I256 HydrophobicContact CD1-CG2 4.06Å; I225-I256 HydrophobicContact CD1-CB 4.16Å; I225-I256 HydrophobicContact CD1-CG2 3.5Å; G252-I256 PolarHBondContact O-N 3.14Å; L253-I256 PolarHBondContact O-N 2.87Å; I256-N258 PolarHBondContact O-N 3.4Å; I256-V259 WeakPolarHBondContact O-CG2 3.31Å; I256-V259 PolarHBondContact O-N 3.16Å; I256-T260 PolarHBondContact O-N 2.84Å; I256-T260 PolarHBondContact O-OG1 3.04Å
257	A	94.1	Very high	91.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-52.1	-44.7	179.2	0	0	0	0	0	112.1	P152 L222 I225 L226 L253 L255	P152-A257 HydrophobicContact CG-CB 4.08Å; P152-A257 VanDerWaalsContact CG-O 3.31Å; P152-A257 WeakPolarHBondContact CG-O 3.4Å; L222-A257 HydrophobicContact CD2-CB 4.42Å; I225-A257 HydrophobicContact CG2-CB 4.06Å; L226-A257 HydrophobicContact CD2-CB 4.41Å; L253-A257 PolarHBondContact O-N 3.42Å; L253-A257 VanDerWaalsContact O-N 3.14Å; L255-A257 PolarHBondContact O-N 3.48Å
258	N	91	Very high	91.1	Very high	87 Å²	87	42.2 Å²	42.2	47%	0.465	21%	0.211	S	C	.	.	H	α-helix	trans	-70.7	-34.2	179.6	-73.6	23.9	0	0	0	113.4	K254 L255 I256	K254-N258 WeakPolarHBondContact O-CB 3.2Å; K254-N258 PolarHBondContact O-N 2.9Å; K254-N258 VanDerWaalsContact O-N 3.16Å; K254-N258 PolarHBondContact O-OD1 2.85Å; L255-N258 PolarHBondContact O-N 3.02Å; I256-N258 PolarHBondContact O-N 3.4Å
259	V	93.3	Very high	91.1	Very high	29 Å²	29	45.6 Å²	45.6	18%	0.176	24%	0.235	C	C	.	.	H	α-helix	trans	-87.1	-13.1	-178.7	-58	0	0	0	0	114.2	V95 L255 I256 Y261 G262 Y263	V95-V259 HydrophobicContact CG2-CG2 3.57Å; L255-V259 HydrophobicContact CD1-CG1 3.93Å; L255-V259 HydrophobicContact CG-CG1 4.48Å; L255-V259 WeakPolarHBondContact O-CG2 3.46Å; L255-V259 PolarHBondContact O-N 3.49Å; I256-V259 WeakPolarHBondContact O-CG2 3.31Å; I256-V259 PolarHBondContact O-N 3.16Å; V259-Y261 PolarHBondContact O-N 2.85Å; V259-G262 CarbonylContact O-C 3.59Å; V259-G262 WeakPolarHBondContact O-CA 3.21Å; V259-G262 PolarHBondContact O-N 2.9Å; V259-G262 VanDerWaalsContact O-N 3.12Å; V259-Y263 PolarHBondContact O-N 3.38Å
260	T	94.1	Very high	90.9	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-42.9	178.1	-65.9	0	0	0	0	112.4	L218 M221 L222 I256 Y263	L218-T260 HydrophobicContact CD2-CG2 3.93Å; M221-T260 HydrophobicContact CE-CG2 3.58Å; L222-T260 HydrophobicContact CD1-CG2 4.06Å; L222-T260 HydrophobicContact CD2-CG2 4.04Å; L222-T260 HydrophobicContact CG-CG2 4.23Å; I256-T260 PolarHBondContact O-N 2.84Å; I256-T260 PolarHBondContact O-OG1 3.04Å; T260-Y263 WeakPolarHBondContact O-CB 3.35Å; T260-Y263 PolarHBondContact O-N 2.9Å
261	Y	91.9	Very high	90.8	Very high	56 Å²	56	43.9 Å²	43.9	22%	0.22	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-47.8	170.9	159.1	-103	0	0	0	111	Y151 V259 Y263 T264 S265 A278 I281 V282	Y151-Y261 AromaticContact CD2-CD1 3.54Å; Y151-Y261 HydrophobicContact CD2-CD1 3.54Å; Y151-Y261 HydrophobicContact CD2-CD2 4.13Å; Y151-Y261 HydrophobicContact CD2-CE1 4.03Å; Y151-Y261 AromaticContact CD2-CG 3.61Å; Y151-Y261 HydrophobicContact CD2-CG 3.61Å; Y151-Y261 AromaticContact CE2-CD1 3.78Å; Y151-Y261 HydrophobicContact CE2-CD1 3.78Å; Y151-Y261 AromaticContact CE2-CE1 3.78Å; Y151-Y261 HydrophobicContact CE2-CE1 3.78Å; Y151-Y261 HydrophobicContact CE2-CG 4.19Å; Y151-Y261 HydrophobicContact CG-CG 4.38Å; V259-Y261 PolarHBondContact O-N 2.85Å; Y261-Y263 PolarHBondContact O-N 3.01Å; Y261-Y263 VanDerWaalsContact O-N 3.07Å; Y261-T264 PolarHBondContact O-N 3.2Å; Y261-T264 PolarHBondContact O-OG1 3.02Å; Y261-S265 PolarHBondContact O-N 2.74Å; Y261-A278 HydrophobicContact CE2-CB 4.21Å; Y261-I281 HydrophobicContact CD2-CB 4.14Å; Y261-I281 HydrophobicContact CD2-CD1 4.03Å; Y261-I281 HydrophobicContact CD2-CG2 3.83Å; Y261-I281 HydrophobicContact CE2-CB 4.45Å; Y261-I281 HydrophobicContact CE2-CG2 4.38Å; Y261-V282 HydrophobicContact CE2-CG2 3.65Å; Y261-V282 WeakPolarHBondContact OH-CG2 3.45Å
262	G	92.3	Very high	90.9	Very high	33 Å²	33	40.8 Å²	40.8	34%	0.34	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-13.7	178.2	0	0	0	0	0	114.9	V259 A266	V259-G262 CarbonylContact O-C 3.59Å; V259-G262 WeakPolarHBondContact O-CA 3.21Å; V259-G262 PolarHBondContact O-N 2.9Å; V259-G262 VanDerWaalsContact O-N 3.12Å; G262-A266 WeakPolarHBondContact O-CB 3.43Å
263	Y	94	Very high	90.9	Very high	5 Å²	5	41 Å²	41	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-76.1	-42.5	169.5	-178.5	-96.3	0	0	0	111.5	Q92 V95 E96 M99 F162 V259 T260 Y261 R271 M272	Q92-Y263 HydrophobicContact CB-CD2 4.05Å; Q92-Y263 HydrophobicContact CB-CE2 4.27Å; Q92-Y263 HydrophobicContact CG-CD2 4.11Å; V95-Y263 HydrophobicContact CB-CD2 4.31Å; V95-Y263 HydrophobicContact CB-CG 4.38Å; V95-Y263 HydrophobicContact CG1-CD1 4.28Å; V95-Y263 HydrophobicContact CG1-CD2 4.34Å; V95-Y263 HydrophobicContact CG1-CG 3.96Å; E96-Y263 HydrophobicContact CG-CE2 3.49Å; E96-Y263 VanDerWaalsContact CG-CE2 3.49Å; E96-Y263 VanDerWaalsContact CG-OH 3.26Å; E96-Y263 WeakPolarHBondContact CG-OH 3.4Å; E96-Y263 WeakPolarHBondContact OE1-CE2 3.48Å; E96-Y263 PolarHBondContact OE1-OH 3.38Å; M99-Y263 HydrophobicContact CE-CE1 3.82Å; M99-Y263 HydrophobicContact SD-CE1 4.22Å; F162-Y263 HydrophobicContact CE2-CD1 4.42Å; F162-Y263 HydrophobicContact CE2-CE1 4.31Å; F162-Y263 HydrophobicContact CZ-CD1 4.28Å; F162-Y263 HydrophobicContact CZ-CE1 4.14Å; V259-Y263 PolarHBondContact O-N 3.38Å; T260-Y263 WeakPolarHBondContact O-CB 3.35Å; T260-Y263 PolarHBondContact O-N 2.9Å; Y261-Y263 PolarHBondContact O-N 3.01Å; Y261-Y263 VanDerWaalsContact O-N 3.07Å; Y263-R271 HydrophobicContact CE2-CB 4.47Å; Y263-M272 HydrophobicContact CE1-CB 4.12Å; Y263-M272 HydrophobicContact CE1-CE 4.41Å; Y263-M272 WeakPolarHBondContact OH-CB 3.48Å
264	T	92.8	Very high	90.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-67.9	-35.9	178.6	64.9	0	0	0	0	112.5	F162 L218 Y261 A266 P273 C274 I277	F162-T264 HydrophobicContact CE2-CG2 4.11Å; F162-T264 HydrophobicContact CZ-CG2 3.88Å; L218-T264 HydrophobicContact CD1-CG2 3.93Å; Y261-T264 PolarHBondContact O-N 3.2Å; Y261-T264 PolarHBondContact O-OG1 3.02Å; T264-A266 PolarHBondContact O-N 3.01Å; T264-P273 WeakPolarHBondContact O-CA 3.13Å; T264-C274 PolarHBondContact O-N 3.02Å; T264-I277 HydrophobicContact CG2-CG2 3.9Å
265	S	90.4	Very high	90.9	Very high	34 Å²	34	36 Å²	36	24%	0.238	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	9	-176.2	75.6	0	0	0	0	115.1	Y261 N267	Y261-S265 PolarHBondContact O-N 2.74Å; S265-N267 VanDerWaalsContact C-N 3.32Å; S265-N267 PolarHBondContact O-N 3.22Å; S265-N267 PolarHBondContact O-OD1 3.34Å
266	A	88.9	Confident	91	Very high	15 Å²	15	33.3 Å²	33.3	12%	0.124	18%	0.177	C	C	.	.			trans	-83.3	61	-167.1	0	0	0	0	0	113.8	G262 T264 F268 G270	G262-A266 WeakPolarHBondContact O-CB 3.43Å; T264-A266 PolarHBondContact O-N 3.01Å; A266-F268 VanDerWaalsContact C-N 3.32Å; A266-F268 PolarHBondContact O-N 2.84Å; A266-F268 VanDerWaalsContact O-N 3.16Å; A266-G270 WeakPolarHBondContact O-CA 3.47Å; A266-G270 PolarHBondContact O-N 2.69Å
267	N	82.7	Confident	91.1	Very high	41 Å²	41	33.2 Å²	33.2	22%	0.219	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.2	-169.3	-67	24.9	0	0	0	115.3	M121 S122 P124 S265 V275	M121-N267 HydrophobicContact CE-CB 3.83Å; M121-N267 WeakPolarHBondContact CE-ND2 3.36Å; M121-N267 WeakPolarHBondContact CE-OD1 3.36Å; S122-N267 PolarHBondContact O-ND2 3.13Å; P124-N267 WeakPolarHBondContact CD-ND2 3.49Å; S265-N267 VanDerWaalsContact C-N 3.32Å; S265-N267 PolarHBondContact O-N 3.22Å; S265-N267 PolarHBondContact O-OD1 3.34Å; N267-V275 WeakPolarHBondContact ND2-CG2 3.45Å
268	F	81.2	Confident	91.1	Very high	196 Å²	196	33.3 Å²	33.3	86%	0.86	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-48.5	-176.7	-173.3	-102.4	0	0	0	113.7	A266	A266-F268 VanDerWaalsContact C-N 3.32Å; A266-F268 PolarHBondContact O-N 2.84Å; A266-F268 VanDerWaalsContact O-N 3.16Å
269	S	86.6	Confident	91.3	Very high	71 Å²	71	29.3 Å²	29.3	50%	0.497	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-2.7	-172.5	62.3	0	0	0	0	114.4	R118	R118-S269 PolarHBondContact NH1-O 2.75Å
270	G	87	Confident	91.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.			trans	-60.9	143.3	-178	0	0	0	0	0	113.5	R118 A266	R118-G270 WeakPolarHBondContact CD-O 3.3Å; R118-G270 PolarHBondContact NH1-O 2.89Å; A266-G270 WeakPolarHBondContact O-CA 3.47Å; A266-G270 PolarHBondContact O-N 2.69Å
271	R	90.4	Very high	91.7	Very high	90 Å²	90	27.9 Å²	27.9	34%	0.34	15%	0.147	S	C	.	.	S	Bend	trans	-82.8	-38.4	179.7	-75	172.9	-175.3	163.3	5.6	112.5	E96 P113 Y263	E96-R271 VanDerWaalsContact CD-CD 3.44Å; E96-R271 WeakPolarHBondContact OE1-CB 3.1Å; E96-R271 WeakPolarHBondContact OE1-CD 3.49Å; E96-R271 WeakPolarHBondContact OE2-CD 3.47Å; E96-R271 IonicContact OE2-CZ 2.66Å; E96-R271 IonicContact OE2-NE 3.45Å; E96-R271 IonicContact OE2-NH1 3.54Å; E96-R271 PolarHBondContact OE2-NH1 2.98Å; P113-R271 WeakPolarHBondContact CD-O 3.37Å; P113-R271 WeakPolarHBondContact CG-O 3.17Å; Y263-R271 HydrophobicContact CE2-CB 4.47Å
272	M	92.6	Very high	91.9	Very high	22 Å²	22	25.4 Å²	25.4	11%	0.108	14%	0.138	C	C	.	.	S	Bend	trans	-138	65.9	173.6	-166.2	178.6	73.3	0	0	110.7	M99 A110 L111 F162 Y263	M99-M272 HydrophobicContact CE-CE 3.7Å; M99-M272 HydrophobicContact SD-CE 4.21Å; A110-M272 HydrophobicContact CB-SD 4.27Å; L111-M272 HydrophobicContact CB-CG 4.26Å; L111-M272 HydrophobicContact CB-SD 4.11Å; F162-M272 HydrophobicContact CD1-CE 3.93Å; F162-M272 HydrophobicContact CD2-CE 3.67Å; F162-M272 HydrophobicContact CE1-CE 3.83Å; F162-M272 HydrophobicContact CE1-CG 4.35Å; F162-M272 WeakPolarHBondContact CE1-O 3.28Å; F162-M272 HydrophobicContact CE2-CE 3.56Å; F162-M272 HydrophobicContact CG-CE 3.85Å; F162-M272 HydrophobicContact CZ-CE 3.64Å; F162-M272 VanDerWaalsContact CZ-O 3.27Å; F162-M272 WeakPolarHBondContact CZ-O 3.17Å; Y263-M272 HydrophobicContact CE1-CB 4.12Å; Y263-M272 HydrophobicContact CE1-CE 4.41Å; Y263-M272 WeakPolarHBondContact OH-CB 3.48Å
273	P	93.6	Very high	92.1	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.026	13%	0.132	C	C	.	.			trans	-77.1	151.6	179.7	34	-33.3	0	0	0	111.5	R118 M121 T264	R118-P273 HydrophobicContact CG-CG 4.31Å; M121-P273 HydrophobicContact CE-CB 3.98Å; M121-P273 HydrophobicContact CE-CG 3.86Å; M121-P273 HydrophobicContact SD-CB 4.42Å; M121-P273 HydrophobicContact SD-CG 4.34Å; T264-P273 WeakPolarHBondContact O-CA 3.13Å
274	C	94.1	Very high	92.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	14%	0.137	C	C	.	.			trans	-149.2	106.9	178.1	173.4	0	0	0	0	108.4	F162 T264 E276 I277 A278	F162-C274 HydrophobicContact CD1-CB 4Å; F162-C274 HydrophobicContact CE1-CB 3.56Å; T264-C274 PolarHBondContact O-N 3.02Å; C274-E276 VanDerWaalsContact C-N 3.3Å; C274-E276 PolarHBondContact O-N 3.35Å; C274-E276 PolarHBondContact SG-OE2 3.46Å; C274-I277 HydrophobicContact CB-CD1 3.98Å; C274-I277 HydrophobicContact CB-CG1 4.41Å; C274-I277 PolarHBondContact O-N 3.26Å; C274-I277 VanDerWaalsContact SG-CD1 3.58Å; C274-A278 PolarHBondContact O-N 3.37Å
275	V	93.2	Very high	92.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.9	-36.9	-176.4	157.3	0	0	0	0	111.6	M121 S122 P124 N267 I277 A278 D279	M121-V275 HydrophobicContact CE-CG2 4.01Å; M121-V275 HydrophobicContact CG-CG2 4.23Å; M121-V275 HydrophobicContact SD-CB 4.45Å; M121-V275 HydrophobicContact SD-CG2 3.98Å; S122-V275 WeakPolarHBondContact O-CG2 3.31Å; P124-V275 HydrophobicContact CG-CG2 4.26Å; N267-V275 WeakPolarHBondContact ND2-CG2 3.45Å; V275-I277 VanDerWaalsContact C-N 3.26Å; V275-I277 PolarHBondContact O-N 2.96Å; V275-A278 PolarHBondContact O-N 3.33Å; V275-A278 VanDerWaalsContact O-N 3.12Å; V275-D279 WeakPolarHBondContact CG1-OD2 3.44Å; V275-D279 WeakPolarHBondContact O-CB 3.47Å; V275-D279 PolarHBondContact O-N 2.78Å
276	E	93.7	Very high	92.7	Very high	9 Å²	9	28.7 Å²	28.7	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-39	-179.6	-58.4	81.7	174.3	0	0	111.8	F180 G181 V206 C274 S280	F180-E276 WeakPolarHBondContact CA-OE1 3.36Å; F180-E276 HydrophobicContact CD2-CG 4.23Å; F180-E276 HydrophobicContact CE2-CB 4.4Å; F180-E276 HydrophobicContact CE2-CG 4.5Å; G181-E276 WeakPolarHBondContact CA-OE2 3.47Å; G181-E276 VanDerWaalsContact N-CD 3.28Å; G181-E276 PolarHBondContact N-OE1 2.72Å; G181-E276 PolarHBondContact N-OE2 3.25Å; V206-E276 HydrophobicContact CG1-CB 3.92Å; V206-E276 HydrophobicContact CG2-CB 3.88Å; V206-E276 HydrophobicContact CG2-CG 4.43Å; C274-E276 VanDerWaalsContact C-N 3.3Å; C274-E276 PolarHBondContact O-N 3.35Å; C274-E276 PolarHBondContact SG-OE2 3.46Å; E276-S280 VanDerWaalsContact O-CB 3.24Å; E276-S280 WeakPolarHBondContact O-CB 3.36Å; E276-S280 PolarHBondContact O-N 3.47Å; E276-S280 PolarHBondContact O-OG 2.79Å
277	I	95.3	Very high	93	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-74.1	-46.6	175.2	-64.5	166.6	0	0	0	110.4	F162 F208 T264 C274 V275 D279 S280 I281	F162-I277 HydrophobicContact CB-CD1 4.26Å; F162-I277 HydrophobicContact CD1-CD1 3.5Å; F162-I277 HydrophobicContact CD2-CD1 4.39Å; F162-I277 HydrophobicContact CE1-CD1 3.94Å; F162-I277 HydrophobicContact CG-CD1 3.77Å; F208-I277 HydrophobicContact CE1-CG1 4.23Å; F208-I277 HydrophobicContact CZ-CG1 4.47Å; T264-I277 HydrophobicContact CG2-CG2 3.9Å; C274-I277 HydrophobicContact CB-CD1 3.98Å; C274-I277 HydrophobicContact CB-CG1 4.41Å; C274-I277 PolarHBondContact O-N 3.26Å; C274-I277 VanDerWaalsContact SG-CD1 3.58Å; V275-I277 VanDerWaalsContact C-N 3.26Å; V275-I277 PolarHBondContact O-N 2.96Å; I277-D279 PolarHBondContact O-N 3.44Å; I277-S280 PolarHBondContact O-N 3.33Å; I277-I281 HydrophobicContact CG2-CD1 3.69Å; I277-I281 HydrophobicContact CG2-CG1 4.45Å; I277-I281 WeakPolarHBondContact O-CD1 3.43Å; I277-I281 VanDerWaalsContact O-CG1 3.25Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.03Å
278	A	95.1	Very high	93.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-48.6	-178.5	0	0	0	0	0	112.2	Y261 C274 V275 I281 V282	Y261-A278 HydrophobicContact CE2-CB 4.21Å; C274-A278 PolarHBondContact O-N 3.37Å; V275-A278 PolarHBondContact O-N 3.33Å; V275-A278 VanDerWaalsContact O-N 3.12Å; A278-I281 PolarHBondContact O-N 2.75Å; A278-V282 WeakPolarHBondContact O-CG2 3.47Å; A278-V282 PolarHBondContact O-N 3.25Å
279	D	95.4	Very high	94.4	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-65.4	-40	178.1	-80.2	-11.4	0	0	0	111.5	P124 E125 C126 A204 V275 I277 I281 V282 Q283	P124-D279 WeakPolarHBondContact CB-OD1 3.18Å; E125-D279 PolarHBondContact N-OD1 3.08Å; E125-D279 PolarHBondContact N-OD2 2.97Å; C126-D279 HydrophobicContact CB-CB 3.92Å; C126-D279 WeakPolarHBondContact CB-OD1 3.28Å; C126-D279 PolarHBondContact N-OD1 3.48Å; C126-D279 VanDerWaalsContact N-OD1 3.13Å; A204-D279 HydrophobicContact CB-CB 4.27Å; V275-D279 WeakPolarHBondContact CG1-OD2 3.44Å; V275-D279 WeakPolarHBondContact O-CB 3.47Å; V275-D279 PolarHBondContact O-N 2.78Å; I277-D279 PolarHBondContact O-N 3.44Å; D279-I281 VanDerWaalsContact C-N 3.34Å; D279-I281 PolarHBondContact O-N 3.16Å; D279-V282 PolarHBondContact O-N 3.47Å; D279-Q283 WeakPolarHBondContact O-CB 3.38Å; D279-Q283 PolarHBondContact O-N 3.19Å
280	S	96.8	Very high	94.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.9	-42.7	174.7	-64.7	0	0	0	0	112.4	Y160 S202 V206 F208 E276 I277 K284	Y160-S280 WeakPolarHBondContact CE2-O 3.23Å; S202-S280 WeakPolarHBondContact CB-OG 3.32Å; S202-S280 PolarHBondContact OG-OG 3.23Å; V206-S280 WeakPolarHBondContact CB-OG 3.01Å; F208-S280 WeakPolarHBondContact CE2-OG 3.44Å; E276-S280 VanDerWaalsContact O-CB 3.24Å; E276-S280 WeakPolarHBondContact O-CB 3.36Å; E276-S280 PolarHBondContact O-N 3.47Å; E276-S280 PolarHBondContact O-OG 2.79Å; I277-S280 PolarHBondContact O-N 3.33Å; S280-K284 WeakPolarHBondContact O-CB 3.08Å; S280-K284 PolarHBondContact O-N 2.89Å
281	I	97	Very high	95.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-65.1	-49.2	177.1	-65.6	160.9	0	0	0	110.7	Y151 C155 Y160 Y261 I277 A278 D279 G285	Y151-I281 HydrophobicContact CD1-CG2 3.71Å; Y151-I281 HydrophobicContact CD2-CG2 4.29Å; Y151-I281 HydrophobicContact CE1-CG2 4.44Å; Y151-I281 HydrophobicContact CG-CG2 3.62Å; C155-I281 WeakPolarHBondContact SG-CD1 3.26Å; Y160-I281 HydrophobicContact CD2-CG1 3.9Å; Y261-I281 HydrophobicContact CD2-CB 4.14Å; Y261-I281 HydrophobicContact CD2-CD1 4.03Å; Y261-I281 HydrophobicContact CD2-CG2 3.83Å; Y261-I281 HydrophobicContact CE2-CB 4.45Å; Y261-I281 HydrophobicContact CE2-CG2 4.38Å; I277-I281 HydrophobicContact CG2-CD1 3.69Å; I277-I281 HydrophobicContact CG2-CG1 4.45Å; I277-I281 WeakPolarHBondContact O-CD1 3.43Å; I277-I281 VanDerWaalsContact O-CG1 3.25Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.03Å; A278-I281 PolarHBondContact O-N 2.75Å; D279-I281 VanDerWaalsContact C-N 3.34Å; D279-I281 PolarHBondContact O-N 3.16Å; I281-G285 PolarHBondContact O-N 3.14Å
282	V	96.2	Very high	95.7	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.024	9%	0.088	C	C	.	.	H	α-helix	trans	-63.6	-48.8	-178	171.8	0	0	0	0	111.2	C126 I127 A128 Y261 A278 D279 G285 R286	C126-V282 HydrophobicContact CB-CB 4.31Å; C126-V282 HydrophobicContact CB-CG1 4.14Å; I127-V282 VanDerWaalsContact C-CG1 3.42Å; A128-V282 HydrophobicContact CB-CG1 4.41Å; Y261-V282 HydrophobicContact CE2-CG2 3.65Å; Y261-V282 WeakPolarHBondContact OH-CG2 3.45Å; A278-V282 WeakPolarHBondContact O-CG2 3.47Å; A278-V282 PolarHBondContact O-N 3.25Å; D279-V282 PolarHBondContact O-N 3.47Å; V282-G285 PolarHBondContact O-N 3.19Å; V282-R286 PolarHBondContact O-N 3.12Å
283	Q	96.6	Very high	95.9	Very high	48 Å²	48	17.4 Å²	17.4	22%	0.224	9%	0.088	C	C	.	.	H	α-helix	trans	-68.9	-36.2	-177	-169.9	61.6	19.6	0	0	111.7	C126 P203 A204 D279 G285 R286 E287	C126-Q283 HydrophobicContact CB-CB 4.19Å; P203-Q283 HydrophobicContact CB-CG 3.92Å; A204-Q283 HydrophobicContact CB-CB 4.33Å; D279-Q283 WeakPolarHBondContact O-CB 3.38Å; D279-Q283 PolarHBondContact O-N 3.19Å; Q283-G285 VanDerWaalsContact C-N 3.35Å; Q283-R286 WeakPolarHBondContact O-CB 3.33Å; Q283-R286 PolarHBondContact O-N 3.34Å; Q283-E287 PolarHBondContact O-N 3.45Å
284	K	97.1	Very high	96	Very high	26 Å²	26	24.9 Å²	24.9	11%	0.113	12%	0.115	C	C	.	.	H	α-helix	trans	-69.4	-33.3	173.5	-167	49.7	144.2	169.9	0	112.1	I154 Y158 Y160 P203 S280 E287 T288	I154-K284 HydrophobicContact CG2-CB 3.94Å; I154-K284 HydrophobicContact CG2-CG 3.96Å; Y158-K284 HydrophobicContact CD2-CG 3.84Å; Y158-K284 VanDerWaalsContact CE1-CE 3.49Å; Y158-K284 HydrophobicContact CE2-CD 4.16Å; Y158-K284 HydrophobicContact CE2-CG 3.73Å; Y158-K284 HydrophobicContact CG-CG 4.49Å; Y160-K284 HydrophobicContact CE2-CB 4.04Å; Y160-K284 HydrophobicContact CE2-CG 4.33Å; P203-K284 HydrophobicContact CG-CD 3.92Å; S280-K284 WeakPolarHBondContact O-CB 3.08Å; S280-K284 PolarHBondContact O-N 2.89Å; K284-E287 WeakPolarHBondContact CD-OE2 3.48Å; K284-E287 WeakPolarHBondContact CE-OE2 3.49Å; K284-E287 VanDerWaalsContact NZ-CD 3.33Å; K284-E287 IonicContact NZ-OE1 2.95Å; K284-E287 PolarHBondContact NZ-OE1 3.19Å; K284-E287 IonicContact NZ-OE2 3.15Å; K284-E287 PolarHBondContact NZ-OE2 3.3Å; K284-E287 PolarHBondContact O-N 3.42Å; K284-T288 WeakPolarHBondContact O-CB 3.35Å; K284-T288 PolarHBondContact O-N 3.19Å; K284-T288 PolarHBondContact O-OG1 3.35Å
285	G	96.5	Very high	96.2	Very high	1 Å²	1	27 Å²	27	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-65	-42.8	171.9	0	0	0	0	0	112.4	I281 V282 Q283 T288 L289	I281-G285 PolarHBondContact O-N 3.14Å; V282-G285 PolarHBondContact O-N 3.19Å; Q283-G285 VanDerWaalsContact C-N 3.35Å; G285-T288 PolarHBondContact O-N 3.15Å; G285-L289 PolarHBondContact O-N 3.4Å
286	R	96.7	Very high	96.3	Very high	68 Å²	68	27 Å²	27	26%	0.257	13%	0.125	S	C	.	.	H	α-helix	trans	-59.1	-51.9	171.9	170.6	165	-172	152.9	8.5	112.2	L129 V282 Q283 T288 L289 E290	L129-R286 HydrophobicContact CB-CG 4.16Å; V282-R286 PolarHBondContact O-N 3.12Å; Q283-R286 WeakPolarHBondContact O-CB 3.33Å; Q283-R286 PolarHBondContact O-N 3.34Å; R286-T288 VanDerWaalsContact C-N 3.28Å; R286-T288 PolarHBondContact O-N 3.21Å; R286-L289 PolarHBondContact O-N 2.99Å; R286-E290 HydrophobicContact CG-CG 4.31Å; R286-E290 IonicContact CZ-OE1 3.4Å; R286-E290 VanDerWaalsContact CZ-OE1 3.28Å; R286-E290 IonicContact NE-OE1 3.29Å; R286-E290 PolarHBondContact NE-OE1 2.89Å; R286-E290 IonicContact NE-OE2 2.73Å; R286-E290 IonicContact NH2-OE1 3.67Å; R286-E290 PolarHBondContact NH2-OE1 2.86Å; R286-E290 WeakPolarHBondContact O-CB 3.21Å; R286-E290 WeakPolarHBondContact O-CG 3.28Å; R286-E290 PolarHBondContact O-N 2.8Å
287	E	96.2	Very high	96.5	Very high	69 Å²	69	30.3 Å²	30.3	32%	0.322	14%	0.144	S	C	.	.	H	α-helix	trans	-57.6	-42	177.6	-172.8	-161.6	171.1	0	0	111.8	P203 Q283 K284 L289 E290 A291	P203-E287 WeakPolarHBondContact CG-OE2 3.43Å; Q283-E287 PolarHBondContact O-N 3.45Å; K284-E287 WeakPolarHBondContact CD-OE2 3.48Å; K284-E287 WeakPolarHBondContact CE-OE2 3.49Å; K284-E287 VanDerWaalsContact NZ-CD 3.33Å; K284-E287 IonicContact NZ-OE1 2.95Å; K284-E287 PolarHBondContact NZ-OE1 3.19Å; K284-E287 IonicContact NZ-OE2 3.15Å; K284-E287 PolarHBondContact NZ-OE2 3.3Å; K284-E287 PolarHBondContact O-N 3.42Å; E287-L289 PolarHBondContact O-N 3.43Å; E287-E290 PolarHBondContact O-N 3.1Å; E287-A291 WeakPolarHBondContact O-CB 3.33Å; E287-A291 PolarHBondContact O-N 2.95Å
288	T	97	Very high	96.5	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-44.9	177.9	-56.9	0	0	0	0	111.3	F147 L150 K284 G285 R286 A291 A292 V345	F147-T288 HydrophobicContact CE1-CG2 3.98Å; F147-T288 HydrophobicContact CE2-CG2 4.23Å; F147-T288 HydrophobicContact CZ-CG2 3.71Å; L150-T288 HydrophobicContact CD1-CG2 4.35Å; K284-T288 WeakPolarHBondContact O-CB 3.35Å; K284-T288 PolarHBondContact O-N 3.19Å; K284-T288 PolarHBondContact O-OG1 3.35Å; G285-T288 PolarHBondContact O-N 3.15Å; R286-T288 VanDerWaalsContact C-N 3.28Å; R286-T288 PolarHBondContact O-N 3.21Å; T288-A291 PolarHBondContact O-N 2.82Å; T288-A292 PolarHBondContact O-N 2.84Å; T288-V345 HydrophobicContact CG2-CG1 4.08Å
289	L	96.4	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.1	-41.4	177	-174.2	57.3	0	0	0	111.8	L129 F147 G285 R286 E287 A291 A292 I293 T311 M314	L129-L289 HydrophobicContact CB-CD2 4.39Å; L129-L289 HydrophobicContact CD2-CB 4.5Å; L129-L289 HydrophobicContact CD2-CD2 3.98Å; L129-L289 HydrophobicContact CD2-CG 4.09Å; F147-L289 HydrophobicContact CE2-CD1 4.18Å; G285-L289 PolarHBondContact O-N 3.4Å; R286-L289 PolarHBondContact O-N 2.99Å; E287-L289 PolarHBondContact O-N 3.43Å; L289-A291 VanDerWaalsContact C-N 3.3Å; L289-A291 PolarHBondContact O-N 3.25Å; L289-A292 PolarHBondContact O-N 2.93Å; L289-I293 HydrophobicContact CD1-CD1 4.28Å; L289-I293 HydrophobicContact CD1-CG1 4.37Å; L289-I293 HydrophobicContact CG-CD1 3.91Å; L289-I293 HydrophobicContact CG-CG1 4.47Å; L289-I293 WeakPolarHBondContact O-CB 3.36Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 2.85Å; L289-T311 WeakPolarHBondContact CD2-O 3.38Å; L289-M314 HydrophobicContact CD1-CB 4.17Å; L289-M314 HydrophobicContact CD1-CG 4.48Å
290	E	96.5	Very high	96.2	Very high	61 Å²	61	47 Å²	47	29%	0.285	23%	0.231	S	C	.	.	H	α-helix	trans	-64.7	-31.2	175.4	-70	176.4	167.8	0	0	112.5	L129 R286 E287 R294	L129-E290 HydrophobicContact CD2-CG 3.79Å; R286-E290 HydrophobicContact CG-CG 4.31Å; R286-E290 IonicContact CZ-OE1 3.4Å; R286-E290 VanDerWaalsContact CZ-OE1 3.28Å; R286-E290 IonicContact NE-OE1 3.29Å; R286-E290 PolarHBondContact NE-OE1 2.89Å; R286-E290 IonicContact NE-OE2 2.73Å; R286-E290 IonicContact NH2-OE1 3.67Å; R286-E290 PolarHBondContact NH2-OE1 2.86Å; R286-E290 WeakPolarHBondContact O-CB 3.21Å; R286-E290 WeakPolarHBondContact O-CG 3.28Å; R286-E290 PolarHBondContact O-N 2.8Å; E287-E290 PolarHBondContact O-N 3.1Å; E290-R294 WeakPolarHBondContact O-CB 3.41Å; E290-R294 VanDerWaalsContact O-CG 3.31Å; E290-R294 WeakPolarHBondContact O-CG 3.23Å; E290-R294 PolarHBondContact O-N 3.17Å; E290-R294 VanDerWaalsContact O-N 3.14Å; E290-R294 PolarHBondContact O-NE 2.8Å; E290-R294 VanDerWaalsContact O-NE 3.16Å
291	A	96.6	Very high	96	Very high	40 Å²	40	55.4 Å²	55.4	33%	0.331	26%	0.263	S	S	.	.	H	α-helix	trans	-69.7	-45.2	171.2	0	0	0	0	0	112	E287 T288 L289 R294 M295	E287-A291 WeakPolarHBondContact O-CB 3.33Å; E287-A291 PolarHBondContact O-N 2.95Å; T288-A291 PolarHBondContact O-N 2.82Å; L289-A291 VanDerWaalsContact C-N 3.3Å; L289-A291 PolarHBondContact O-N 3.25Å; A291-R294 PolarHBondContact O-N 2.81Å; A291-M295 PolarHBondContact O-N 2.88Å
292	A	97.1	Very high	95.8	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-43.8	175.5	0	0	0	0	0	112.2	F147 T288 L289 R294 M295 V296 M314 V337	F147-A292 HydrophobicContact CE2-CB 4.35Å; F147-A292 HydrophobicContact CZ-CB 4.18Å; T288-A292 PolarHBondContact O-N 2.84Å; L289-A292 PolarHBondContact O-N 2.93Å; A292-R294 PolarHBondContact O-N 2.8Å; A292-M295 PolarHBondContact O-N 2.82Å; A292-V296 WeakPolarHBondContact O-CG2 3.29Å; A292-V296 PolarHBondContact O-N 2.87Å; A292-M314 HydrophobicContact CB-CE 4.02Å; A292-M314 HydrophobicContact CB-SD 4.25Å; A292-V337 HydrophobicContact CB-CG1 3.67Å; A292-V337 HydrophobicContact CB-CG2 4.24Å
293	I	96.8	Very high	95.6	Very high	20 Å²	20	60.8 Å²	60.8	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-44.9	176.8	-69.2	166.2	0	0	0	111.1	L129 M131 L289 V296 N297 V306 M314	L129-I293 HydrophobicContact CD2-CD1 3.86Å; M131-I293 HydrophobicContact SD-CD1 3.72Å; L289-I293 HydrophobicContact CD1-CD1 4.28Å; L289-I293 HydrophobicContact CD1-CG1 4.37Å; L289-I293 HydrophobicContact CG-CD1 3.91Å; L289-I293 HydrophobicContact CG-CG1 4.47Å; L289-I293 WeakPolarHBondContact O-CB 3.36Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 2.85Å; I293-V296 PolarHBondContact O-N 2.67Å; I293-N297 WeakPolarHBondContact O-CB 3.28Å; I293-N297 PolarHBondContact O-N 3.23Å; I293-N297 PolarHBondContact O-ND2 3.34Å; I293-V306 HydrophobicContact CB-CG2 4.37Å; I293-V306 HydrophobicContact CG1-CG1 4.19Å; I293-V306 HydrophobicContact CG1-CG2 4.24Å; I293-V306 HydrophobicContact CG2-CB 4.18Å; I293-V306 HydrophobicContact CG2-CG2 4.09Å; I293-M314 HydrophobicContact CG1-SD 4.33Å
294	R	96.7	Very high	95.6	Very high	160 Å²	160	59.1 Å²	59.1	60%	0.604	29%	0.285	S	S	*	.	H	α-helix	trans	-60.8	-46.6	176.2	-78.9	-179	-67.2	158.1	-1.9	111.6	E290 A291 A292 V296 N297 S298	E290-R294 WeakPolarHBondContact O-CB 3.41Å; E290-R294 VanDerWaalsContact O-CG 3.31Å; E290-R294 WeakPolarHBondContact O-CG 3.23Å; E290-R294 PolarHBondContact O-N 3.17Å; E290-R294 VanDerWaalsContact O-N 3.14Å; E290-R294 PolarHBondContact O-NE 2.8Å; E290-R294 VanDerWaalsContact O-NE 3.16Å; A291-R294 PolarHBondContact O-N 2.81Å; A292-R294 PolarHBondContact O-N 2.8Å; R294-V296 PolarHBondContact O-N 2.98Å; R294-N297 PolarHBondContact O-N 2.64Å; R294-S298 WeakPolarHBondContact O-CB 3.14Å; R294-S298 PolarHBondContact O-N 3.42Å; R294-S298 PolarHBondContact O-OG 2.95Å
295	M	96.6	Very high	95.5	Very high	46 Å²	46	62.9 Å²	62.9	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-47.5	177.3	179.1	-173.9	-74.1	0	0	112	A291 A292 S298 H299 W302 A336 V337 V340	A291-M295 PolarHBondContact O-N 2.88Å; A292-M295 PolarHBondContact O-N 2.82Å; M295-S298 PolarHBondContact O-N 3.06Å; M295-H299 WeakPolarHBondContact O-CB 3.43Å; M295-H299 PolarHBondContact O-N 2.92Å; M295-W302 HydrophobicContact CG-CZ3 4.37Å; M295-A336 HydrophobicContact SD-CB 4.13Å; M295-V337 HydrophobicContact SD-CB 4.49Å; M295-V337 HydrophobicContact SD-CG2 3.66Å; M295-V340 HydrophobicContact CE-CB 4.18Å; M295-V340 HydrophobicContact CE-CG1 3.61Å; M295-V340 HydrophobicContact CE-CG2 3.54Å
296	V	96.9	Very high	95.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-47.5	179.5	171.8	0	0	0	0	111.2	A292 I293 R294 S298 W302 A304 V306 M314 V316 I333	A292-V296 WeakPolarHBondContact O-CG2 3.29Å; A292-V296 PolarHBondContact O-N 2.87Å; I293-V296 PolarHBondContact O-N 2.67Å; R294-V296 PolarHBondContact O-N 2.98Å; V296-S298 VanDerWaalsContact C-N 3.32Å; V296-S298 PolarHBondContact O-N 3.01Å; V296-W302 HydrophobicContact CG2-CZ3 4.47Å; V296-A304 HydrophobicContact CG1-CB 4.15Å; V296-V306 HydrophobicContact CB-CG2 4.04Å; V296-V306 HydrophobicContact CG1-CG2 3.86Å; V296-M314 HydrophobicContact CG2-CE 3.92Å; V296-M314 HydrophobicContact CG2-SD 4.23Å; V296-V316 HydrophobicContact CG1-CG1 3.69Å; V296-V316 HydrophobicContact CG1-CG2 4.06Å; V296-I333 HydrophobicContact CG1-CD1 4.45Å; V296-I333 HydrophobicContact CG2-CD1 4.46Å; V296-I333 HydrophobicContact CG2-CG2 3.57Å
297	N	96	Very high	95.4	Very high	80 Å²	80	60.5 Å²	60.5	43%	0.428	29%	0.294	S	S	.	.	H	α-helix	trans	-71	-23.2	-177	-71.3	-17.2	0	0	0	113.8	I293 R294 V306	I293-N297 WeakPolarHBondContact O-CB 3.28Å; I293-N297 PolarHBondContact O-N 3.23Å; I293-N297 PolarHBondContact O-ND2 3.34Å; R294-N297 PolarHBondContact O-N 2.64Å; N297-V306 PolarHBondContact OD1-N 3.41Å
298	S	95.4	Very high	95.4	Very high	94 Å²	94	57.2 Å²	57.2	66%	0.657	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.4	-179.7	76.5	0	0	0	0	114.4	R294 M295 V296 E300	R294-S298 WeakPolarHBondContact O-CB 3.14Å; R294-S298 PolarHBondContact O-N 3.42Å; R294-S298 PolarHBondContact O-OG 2.95Å; M295-S298 PolarHBondContact O-N 3.06Å; V296-S298 VanDerWaalsContact C-N 3.32Å; V296-S298 PolarHBondContact O-N 3.01Å; S298-E300 PolarHBondContact O-N 2.74Å
299	H	94.1	Very high	95.2	Very high	76 Å²	76	57 Å²	57	35%	0.352	28%	0.277	S	S	.	.			trans	-95.2	93.2	-175.1	-159.8	94.1	0	0	0	111.6	M295 R301 W302	M295-H299 WeakPolarHBondContact O-CB 3.43Å; M295-H299 PolarHBondContact O-N 2.92Å; H299-R301 VanDerWaalsContact C-N 3.27Å; H299-R301 PolarHBondContact O-N 3.13Å; H299-R301 VanDerWaalsContact O-N 3.12Å; H299-W302 HydrophobicContact CB-CD2 3.96Å; H299-W302 HydrophobicContact CB-CE3 3.35Å; H299-W302 HydrophobicContact CB-CH2 4.44Å; H299-W302 HydrophobicContact CB-CZ3 3.62Å; H299-W302 AromaticContact CD2-CD2 3.41Å; H299-W302 VanDerWaalsContact CD2-CD2 3.41Å; H299-W302 AromaticContact CD2-CE2 3.61Å; H299-W302 AromaticContact CD2-CE3 3.75Å; H299-W302 AromaticContact CD2-CG 3.71Å; H299-W302 AromaticContact CD2-NE1 3.99Å; H299-W302 AromaticContact CG-CD2 3.78Å; H299-W302 AromaticContact CG-CE3 3.59Å; H299-W302 AromaticContact CG-CZ3 3.74Å; H299-W302 AromaticContact NE2-CE2 3.95Å; H299-W302 PolarHBondContact O-N 2.91Å; H299-W302 VanDerWaalsContact O-N 3.09Å
300	E	90.9	Very high	94.9	Very high	184 Å²	184	57.9 Å²	57.9	86%	0.86	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-50.4	-41.4	-173	-61.8	-177.6	169.2	0	0	113.9	S298 W302 N303	S298-E300 PolarHBondContact O-N 2.74Å; E300-W302 VanDerWaalsContact C-N 3.27Å; E300-W302 PolarHBondContact O-N 2.87Å; E300-N303 PolarHBondContact O-N 3.16Å; E300-N303 VanDerWaalsContact O-N 3.12Å
301	R	92.1	Very high	94.6	Very high	178 Å²	178	56.3 Å²	56.3	67%	0.672	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-60.2	-32.3	-177.5	178.4	177.7	164.5	-168	-14.3	113.7	H299 E332	H299-R301 VanDerWaalsContact C-N 3.27Å; H299-R301 PolarHBondContact O-N 3.13Å; H299-R301 VanDerWaalsContact O-N 3.12Å; R301-E332 IonicContact NH2-OE1 3.71Å; R301-E332 PolarHBondContact NH2-OE1 3.35Å; R301-E332 VanDerWaalsContact NH2-OE1 3.15Å; R301-E332 IonicContact NH2-OE2 2.67Å
302	W	93.8	Very high	94.4	Very high	9 Å²	9	57.2 Å²	57.2	3%	0.034	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-78.6	-24.6	-179.6	-64.7	-31.8	0	0	0	112.3	M295 V296 H299 E300 A304 I329 E332 I333 A336	M295-W302 HydrophobicContact CG-CZ3 4.37Å; V296-W302 HydrophobicContact CG2-CZ3 4.47Å; H299-W302 HydrophobicContact CB-CD2 3.96Å; H299-W302 HydrophobicContact CB-CE3 3.35Å; H299-W302 HydrophobicContact CB-CH2 4.44Å; H299-W302 HydrophobicContact CB-CZ3 3.62Å; H299-W302 AromaticContact CD2-CD2 3.41Å; H299-W302 VanDerWaalsContact CD2-CD2 3.41Å; H299-W302 AromaticContact CD2-CE2 3.61Å; H299-W302 AromaticContact CD2-CE3 3.75Å; H299-W302 AromaticContact CD2-CG 3.71Å; H299-W302 AromaticContact CD2-NE1 3.99Å; H299-W302 AromaticContact CG-CD2 3.78Å; H299-W302 AromaticContact CG-CE3 3.59Å; H299-W302 AromaticContact CG-CZ3 3.74Å; H299-W302 AromaticContact NE2-CE2 3.95Å; H299-W302 PolarHBondContact O-N 2.91Å; H299-W302 VanDerWaalsContact O-N 3.09Å; E300-W302 VanDerWaalsContact C-N 3.27Å; E300-W302 PolarHBondContact O-N 2.87Å; W302-A304 VanDerWaalsContact C-N 3.26Å; W302-A304 HydrophobicContact CB-CB 3.86Å; W302-A304 PolarHBondContact O-N 2.64Å; W302-I329 HydrophobicContact CB-CG2 4.24Å; W302-I329 HydrophobicContact CG-CG2 4.15Å; W302-E332 HydrophobicContact CZ2-CB 4.36Å; W302-E332 PolarHBondContact NE1-OE2 3.03Å; W302-I333 HydrophobicContact CD2-CD1 4.26Å; W302-I333 HydrophobicContact CD2-CG1 3.66Å; W302-I333 HydrophobicContact CE3-CD1 4.17Å; W302-I333 HydrophobicContact CE3-CG1 3.6Å; W302-I333 HydrophobicContact CG-CG1 4.37Å; W302-I333 HydrophobicContact CH2-CB 4.44Å; W302-I333 HydrophobicContact CH2-CG1 3.92Å; W302-I333 HydrophobicContact CZ2-CG1 3.93Å; W302-I333 HydrophobicContact CZ3-CG1 3.76Å; W302-A336 HydrophobicContact CH2-CB 3.89Å; W302-A336 HydrophobicContact CZ2-CB 4.19Å
303	N	92.3	Very high	94.3	Very high	108 Å²	108	57.7 Å²	57.7	58%	0.578	28%	0.279	S	S	*	.			trans	46.1	50.5	-172.6	-169.1	35	0	0	0	112.1	E300	E300-N303 PolarHBondContact O-N 3.16Å; E300-N303 VanDerWaalsContact O-N 3.12Å
304	A	95.2	Very high	94.3	Very high	13 Å²	13	56.8 Å²	56.8	11%	0.107	27%	0.274	C	S	.	.			trans	-120.8	142.4	-165.5	0	0	0	0	0	111.3	V296 W302 V316 L318	V296-A304 HydrophobicContact CG1-CB 4.15Å; W302-A304 VanDerWaalsContact C-N 3.26Å; W302-A304 HydrophobicContact CB-CB 3.86Å; W302-A304 PolarHBondContact O-N 2.64Å; A304-V316 HydrophobicContact CB-CG1 3.66Å; A304-L318 HydrophobicContact CB-CD2 3.6Å
305	K	95.7	Very high	94.3	Very high	106 Å²	106	49.1 Å²	49.1	46%	0.461	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.8	177.1	-174.9	-173.3	173.2	-162	0	110.5	E134 I307 A317	E134-K305 IonicContact OE1-NZ 3.74Å; E134-K305 PolarHBondContact OE1-NZ 3.01Å; K305-I307 PolarHBondContact O-N 3.28Å; K305-A317 PolarHBondContact N-O 2.93Å; K305-A317 PolarHBondContact O-N 2.88Å
306	V	96.4	Very high	94.3	Very high	7 Å²	7	47 Å²	47	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	119.3	167.9	-175.6	0	0	0	0	109.2	M131 I293 V296 N297 Y308 M314 F315 V316	M131-V306 HydrophobicContact CE-CG1 4.14Å; M131-V306 HydrophobicContact SD-CG1 4.1Å; I293-V306 HydrophobicContact CB-CG2 4.37Å; I293-V306 HydrophobicContact CG1-CG1 4.19Å; I293-V306 HydrophobicContact CG1-CG2 4.24Å; I293-V306 HydrophobicContact CG2-CB 4.18Å; I293-V306 HydrophobicContact CG2-CG2 4.09Å; V296-V306 HydrophobicContact CB-CG2 4.04Å; V296-V306 HydrophobicContact CG1-CG2 3.86Å; N297-V306 PolarHBondContact OD1-N 3.41Å; V306-Y308 WeakPolarHBondContact CG1-O 3.15Å; V306-M314 HydrophobicContact CG1-CB 4.14Å; V306-M314 HydrophobicContact CG2-SD 4.29Å; V306-F315 CarbonylContact C-O 3.57Å; V306-F315 WeakPolarHBondContact CA-O 3.26Å; V306-V316 HydrophobicContact CG2-CG2 4.29Å
307	I	95.1	Very high	94.3	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-18.1	-179	58.5	170.5	0	0	0	113.5	V142 K305 F315 A317 L358	V142-I307 HydrophobicContact CG1-CD1 4.01Å; V142-I307 HydrophobicContact CG1-CG1 4.48Å; V142-I307 HydrophobicContact CG2-CD1 3.9Å; K305-I307 PolarHBondContact O-N 3.28Å; I307-F315 HydrophobicContact CG1-CB 4.18Å; I307-F315 PolarHBondContact N-O 3.07Å; I307-A317 HydrophobicContact CD1-CB 4.18Å; I307-A317 HydrophobicContact CG1-CB 4.4Å; I307-A317 HydrophobicContact CG2-CB 3.7Å; I307-L358 HydrophobicContact CB-CD1 4.5Å; I307-L358 HydrophobicContact CD1-CD1 3.48Å; I307-L358 VanDerWaalsContact CD1-CD1 3.48Å; I307-L358 HydrophobicContact CD1-CG 4.48Å; I307-L358 HydrophobicContact CG1-CD1 3.81Å
308	Y	95.2	Very high	94.4	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	158.8	176.3	178.9	-123.3	0	0	0	111.5	M131 P133 V306 D310 M314 F315 K362 Y364	M131-Y308 HydrophobicContact CB-CD2 4.38Å; M131-Y308 WeakPolarHBondContact O-CE2 3.34Å; P133-Y308 HydrophobicContact CB-CD2 3.68Å; P133-Y308 HydrophobicContact CB-CE2 4.39Å; P133-Y308 HydrophobicContact CB-CG 4.04Å; P133-Y308 HydrophobicContact CG-CD2 3.93Å; P133-Y308 HydrophobicContact CG-CE2 4.14Å; V306-Y308 WeakPolarHBondContact CG1-O 3.15Å; Y308-D310 HydrophobicContact CE1-CB 4.1Å; Y308-M314 WeakPolarHBondContact O-CA 3.35Å; Y308-F315 HydrophobicContact CD1-CD1 4.3Å; Y308-F315 AromaticContact CD1-CD2 3.75Å; Y308-F315 HydrophobicContact CD1-CD2 3.75Å; Y308-F315 HydrophobicContact CD1-CE1 4.36Å; Y308-F315 AromaticContact CD1-CE2 3.86Å; Y308-F315 HydrophobicContact CD1-CE2 3.86Å; Y308-F315 HydrophobicContact CD1-CG 4.01Å; Y308-F315 HydrophobicContact CD1-CZ 4.18Å; Y308-F315 HydrophobicContact CE1-CE2 4.26Å; Y308-F315 PolarHBondContact O-N 3.27Å; Y308-K362 PolarHBondContact OH-N 2.94Å; Y308-Y364 HydrophobicContact CE1-CD1 4.03Å; Y308-Y364 AromaticContact CE1-CE1 3.8Å; Y308-Y364 HydrophobicContact CE1-CE1 3.8Å
309	G	92.9	Very high	94.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	134.6	174.2	0	0	0	0	0	112	M131 S313	M131-G309 PolarHBondContact N-O 3.19Å; G309-S313 CarbonylContact C-O 3.42Å; G309-S313 WeakPolarHBondContact CA-O 3.34Å
310	D	91.2	Very high	94.2	Very high	19 Å²	19	42.1 Å²	42.1	10%	0.102	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	99.2	-179.2	-176	3.7	0	0	0	109.4	N130 Y308 D312 S313 K362	N130-D310 PolarHBondContact OD1-OD1 2.85Å; Y308-D310 HydrophobicContact CE1-CB 4.1Å; D310-D312 VanDerWaalsContact C-N 3.26Å; D310-D312 PolarHBondContact O-N 3.49Å; D310-S313 PolarHBondContact N-O 3.28Å; D310-S313 PolarHBondContact O-N 2.87Å; D310-S313 PolarHBondContact O-OG 3.45Å; D310-S313 VanDerWaalsContact O-OG 3.06Å; D310-K362 VanDerWaalsContact CG-NZ 3.29Å; D310-K362 WeakPolarHBondContact OD1-CE 3.25Å; D310-K362 IonicContact OD1-NZ 2.69Å; D310-K362 PolarHBondContact OD1-NZ 3.17Å; D310-K362 VanDerWaalsContact OD2-CE 3.26Å; D310-K362 WeakPolarHBondContact OD2-CE 3.41Å; D310-K362 WeakPolarHBondContact OD2-CG 3.31Å; D310-K362 IonicContact OD2-NZ 2.87Å; D310-K362 PolarHBondContact OD2-NZ 2.65Å; D310-K362 VanDerWaalsContact OD2-NZ 3.13Å
311	T	90.3	Very high	94.4	Very high	28 Å²	28	37.3 Å²	37.3	17%	0.172	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-65.4	172.8	-54.3	0	0	0	0	116.7	A128 L129 N130 L289	A128-T311 HydrophobicContact CB-CG2 4.04Å; L129-T311 WeakPolarHBondContact O-CA 3.39Å; L129-T311 PolarHBondContact O-N 2.67Å; N130-T311 PolarHBondContact OD1-OG1 2.86Å; L289-T311 WeakPolarHBondContact CD2-O 3.38Å
312	D	92.5	Very high	94.5	Very high	60 Å²	60	32.9 Å²	32.9	32%	0.321	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-9.2	-178.7	46.1	3.4	0	0	0	113.5	F147 L150 D310	F147-D312 HydrophobicContact CB-CB 4.42Å; F147-D312 WeakPolarHBondContact CD2-O 3.46Å; F147-D312 PolarHBondContact N-O 3.02Å; L150-D312 HydrophobicContact CB-CB 3.92Å; L150-D312 HydrophobicContact CD2-CB 3.79Å; D310-D312 VanDerWaalsContact C-N 3.26Å; D310-D312 PolarHBondContact O-N 3.49Å
313	S	94.9	Very high	94.5	Very high	12 Å²	12	34.7 Å²	34.7	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	150.4	-178.4	62.9	0	0	0	0	114.1	L145 G309 D310	L145-S313 CarbonylContact O-C 3.59Å; L145-S313 WeakPolarHBondContact O-CA 3.4Å; G309-S313 CarbonylContact C-O 3.42Å; G309-S313 WeakPolarHBondContact CA-O 3.34Å; D310-S313 PolarHBondContact N-O 3.28Å; D310-S313 PolarHBondContact O-N 2.87Å; D310-S313 PolarHBondContact O-OG 3.45Å; D310-S313 VanDerWaalsContact O-OG 3.06Å
314	M	95.6	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.1	169.6	60.9	174.5	173.4	0	0	112.2	L145 L289 A292 I293 V296 V306 Y308 I333 V337 L347	L145-M314 HydrophobicContact CB-CE 4.34Å; L145-M314 HydrophobicContact CB-CG 4.26Å; L145-M314 PolarHBondContact N-O 2.86Å; L145-M314 PolarHBondContact O-N 2.76Å; L289-M314 HydrophobicContact CD1-CB 4.17Å; L289-M314 HydrophobicContact CD1-CG 4.48Å; A292-M314 HydrophobicContact CB-CE 4.02Å; A292-M314 HydrophobicContact CB-SD 4.25Å; I293-M314 HydrophobicContact CG1-SD 4.33Å; V296-M314 HydrophobicContact CG2-CE 3.92Å; V296-M314 HydrophobicContact CG2-SD 4.23Å; V306-M314 HydrophobicContact CG1-CB 4.14Å; V306-M314 HydrophobicContact CG2-SD 4.29Å; Y308-M314 WeakPolarHBondContact O-CA 3.35Å; M314-I333 HydrophobicContact CE-CG2 4.17Å; M314-V337 HydrophobicContact CE-CG2 4.44Å; M314-L347 HydrophobicContact CE-CD1 4.43Å; M314-L347 HydrophobicContact CE-CD2 3.41Å; M314-L347 VanDerWaalsContact CE-CD2 3.41Å
315	F	97.2	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.1	-175.5	-75.9	-127.8	0	0	0	108.7	V142 L143 V144 V306 I307 Y308 Y353 L358 Y364	V142-F315 HydrophobicContact CG1-CB 4Å; V142-F315 HydrophobicContact CG1-CD1 4.08Å; V142-F315 HydrophobicContact CG1-CG 4.49Å; L143-F315 CarbonylContact O-C 3.02Å; L143-F315 VanDerWaalsContact O-CA 3.28Å; L143-F315 WeakPolarHBondContact O-CA 3.43Å; V144-F315 HydrophobicContact CG1-CE2 4.21Å; V144-F315 HydrophobicContact CG1-CZ 4.39Å; V144-F315 HydrophobicContact CG2-CD1 4.32Å; V144-F315 HydrophobicContact CG2-CE1 4.09Å; V144-F315 HydrophobicContact CG2-CZ 4.2Å; V306-F315 CarbonylContact C-O 3.57Å; V306-F315 WeakPolarHBondContact CA-O 3.26Å; I307-F315 HydrophobicContact CG1-CB 4.18Å; I307-F315 PolarHBondContact N-O 3.07Å; Y308-F315 HydrophobicContact CD1-CD1 4.3Å; Y308-F315 AromaticContact CD1-CD2 3.75Å; Y308-F315 HydrophobicContact CD1-CD2 3.75Å; Y308-F315 HydrophobicContact CD1-CE1 4.36Å; Y308-F315 AromaticContact CD1-CE2 3.86Å; Y308-F315 HydrophobicContact CD1-CE2 3.86Å; Y308-F315 HydrophobicContact CD1-CG 4.01Å; Y308-F315 HydrophobicContact CD1-CZ 4.18Å; Y308-F315 HydrophobicContact CE1-CE2 4.26Å; Y308-F315 PolarHBondContact O-N 3.27Å; F315-Y353 HydrophobicContact CD1-CE2 4.49Å; F315-Y353 HydrophobicContact CE1-CD2 4.11Å; F315-Y353 AromaticContact CE1-CE2 3.68Å; F315-Y353 HydrophobicContact CE1-CE2 3.68Å; F315-Y353 HydrophobicContact CZ-CE2 4.26Å; F315-L358 HydrophobicContact CD1-CD2 3.96Å; F315-L358 HydrophobicContact CE1-CD2 4.04Å; F315-Y364 HydrophobicContact CE1-CD2 4.14Å; F315-Y364 HydrophobicContact CE1-CE2 4.08Å; F315-Y364 HydrophobicContact CE1-CG 4.42Å; F315-Y364 HydrophobicContact CZ-CD1 4.47Å; F315-Y364 HydrophobicContact CZ-CD2 4.19Å; F315-Y364 HydrophobicContact CZ-CE1 4.01Å; F315-Y364 AromaticContact CZ-CE2 3.69Å; F315-Y364 HydrophobicContact CZ-CE2 3.69Å; F315-Y364 AromaticContact CZ-CZ 3.58Å
316	V	97.4	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.6	-171.3	-173.3	0	0	0	0	110.1	V142 L143 L145 V296 A304 V306 I333	V142-V316 CarbonylContact C-O 3.4Å; V142-V316 WeakPolarHBondContact CA-O 3.42Å; L143-V316 HydrophobicContact CB-CB 4.1Å; L143-V316 HydrophobicContact CD1-CB 4.21Å; L143-V316 HydrophobicContact CD1-CG1 4.45Å; L143-V316 HydrophobicContact CG-CB 4.34Å; L143-V316 PolarHBondContact N-O 3.47Å; L143-V316 PolarHBondContact O-N 3.37Å; L145-V316 HydrophobicContact CD1-CB 4.32Å; L145-V316 HydrophobicContact CD1-CG2 3.54Å; V296-V316 HydrophobicContact CG1-CG1 3.69Å; V296-V316 HydrophobicContact CG1-CG2 4.06Å; A304-V316 HydrophobicContact CB-CG1 3.66Å; V306-V316 HydrophobicContact CG2-CG2 4.29Å; V316-I333 HydrophobicContact CG1-CD1 4.36Å
317	A	97	Very high	94.8	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.3	174.3	0	0	0	0	0	111.3	Y140 K305 I307	Y140-A317 HydrophobicContact CD2-CB 4.43Å; Y140-A317 HydrophobicContact CE2-CB 3.66Å; K305-A317 PolarHBondContact N-O 2.93Å; K305-A317 PolarHBondContact O-N 2.88Å; I307-A317 HydrophobicContact CD1-CB 4.18Å; I307-A317 HydrophobicContact CG1-CB 4.4Å; I307-A317 HydrophobicContact CG2-CB 3.7Å
318	L	96.8	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.			trans	-123.7	73.5	173.1	-63.6	-179.4	0	0	0	110.4	P141 L143 A304 G320 R321 A326 I329	P141-L318 PolarHBondContact O-N 2.88Å; L143-L318 HydrophobicContact CD1-CD1 3.82Å; L143-L318 HydrophobicContact CD1-CG 4.35Å; L143-L318 HydrophobicContact CD2-CD1 3.8Å; L143-L318 HydrophobicContact CG-CD1 3.78Å; L143-L318 HydrophobicContact CG-CG 4.25Å; A304-L318 HydrophobicContact CB-CD2 3.6Å; L318-G320 PolarHBondContact O-N 3.11Å; L318-R321 HydrophobicContact CB-CB 3.98Å; L318-R321 HydrophobicContact CB-CG 3.91Å; L318-R321 PolarHBondContact O-N 3.3Å; L318-A326 HydrophobicContact CD1-CB 3.87Å; L318-I329 HydrophobicContact CD1-CB 4.1Å; L318-I329 HydrophobicContact CD1-CD1 4.09Å; L318-I329 HydrophobicContact CD1-CG2 4.04Å; L318-I329 HydrophobicContact CD2-CD1 4.38Å; L318-I329 HydrophobicContact CD2-CG2 4.01Å
319	P	94.3	Very high	95	Very high	64 Å²	64	38.8 Å²	38.8	42%	0.416	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	134.7	178.7	27.7	-34.6	0	0	0	111	Y140 R321	Y140-P319 HydrophobicContact CD1-CB 4.27Å; Y140-P319 HydrophobicContact CG-CB 4.36Å; P319-R321 VanDerWaalsContact C-N 3.29Å; P319-R321 PolarHBondContact O-N 3.48Å
320	G	92.4	Very high	95.2	Very high	80 Å²	80	38.8 Å²	38.8	83%	0.825	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	3.9	178.9	0	0	0	0	0	115.9	L318	L318-G320 PolarHBondContact O-N 3.11Å
321	R	94.2	Very high	95.5	Very high	84 Å²	84	40.6 Å²	40.6	32%	0.317	23%	0.228	S	C	.	.			trans	-93.5	152.5	173.1	-62.7	-62.5	-174.9	179.3	-2.3	112.2	P141 L318 P319 E325 I329	P141-R321 WeakPolarHBondContact CD-O 3.31Å; P141-R321 VanDerWaalsContact CG-O 3.28Å; P141-R321 WeakPolarHBondContact CG-O 3.25Å; L318-R321 HydrophobicContact CB-CB 3.98Å; L318-R321 HydrophobicContact CB-CG 3.91Å; L318-R321 PolarHBondContact O-N 3.3Å; P319-R321 VanDerWaalsContact C-N 3.29Å; P319-R321 PolarHBondContact O-N 3.48Å; R321-E325 VanDerWaalsContact CA-OE2 3.27Å; R321-E325 WeakPolarHBondContact CA-OE2 3.31Å; R321-E325 HydrophobicContact CB-CB 4.23Å; R321-E325 WeakPolarHBondContact CD-OE2 3.14Å; R321-E325 IonicContact CZ-OE1 2.61Å; R321-E325 IonicContact NH1-OE1 3.55Å; R321-E325 PolarHBondContact NH1-OE1 3.2Å; R321-I329 HydrophobicContact CG-CD1 4.17Å
322	D	93.9	Very high	95.8	Very high	84 Å²	84	42.6 Å²	42.6	45%	0.449	24%	0.236	S	C	.	.			trans	-85.6	178.8	169.4	78.1	36.1	0	0	0	112.9	E324 E325 A326	D322-E324 WeakPolarHBondContact OD1-CA 3.45Å; D322-E324 WeakPolarHBondContact OD1-CB 3.33Å; D322-E324 PolarHBondContact OD1-N 2.69Å; D322-E325 PolarHBondContact N-OE2 2.94Å; D322-E325 PolarHBondContact OD1-N 3.45Å; D322-A326 VanDerWaalsContact O-CB 3.26Å; D322-A326 WeakPolarHBondContact O-CB 3.34Å; D322-A326 PolarHBondContact O-N 2.96Å
323	K	94.9	Very high	96.1	Very high	47 Å²	47	39.8 Å²	39.8	20%	0.204	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-42.5	179.4	-172.9	-178.4	62.5	167.3	0	112.2	A326 F327 L354 Y369 A372 Q374	K323-A326 WeakPolarHBondContact O-CB 3.41Å; K323-A326 PolarHBondContact O-N 3.44Å; K323-F327 HydrophobicContact CD-CE2 4.31Å; K323-F327 HydrophobicContact CG-CD2 4.01Å; K323-F327 HydrophobicContact CG-CE2 3.85Å; K323-F327 WeakPolarHBondContact O-CD2 3.34Å; K323-F327 PolarHBondContact O-N 3.42Å; K323-L354 HydrophobicContact CB-CD2 4.28Å; K323-Y369 HydrophobicContact CD-CD1 3.9Å; K323-Y369 HydrophobicContact CD-CD2 4.33Å; K323-Y369 HydrophobicContact CD-CE1 4.25Å; K323-Y369 HydrophobicContact CD-CG 3.94Å; K323-A372 WeakPolarHBondContact CE-O 3.27Å; K323-A372 PolarHBondContact NZ-O 3.36Å; K323-Q374 PolarHBondContact NZ-O 3.01Å
324	E	95.2	Very high	96.2	Very high	110 Å²	110	39.8 Å²	39.8	51%	0.514	22%	0.222	S	C	.	.	H	α-helix	trans	-70.6	-42.1	-177.3	-63.5	-172.2	-167.2	0	0	112.2	D322 A326 F327 K328	D322-E324 WeakPolarHBondContact OD1-CA 3.45Å; D322-E324 WeakPolarHBondContact OD1-CB 3.33Å; D322-E324 PolarHBondContact OD1-N 2.69Å; E324-A326 VanDerWaalsContact C-N 3.31Å; E324-F327 PolarHBondContact O-N 3.1Å; E324-K328 WeakPolarHBondContact O-CG 3.44Å; E324-K328 PolarHBondContact O-N 2.89Å; E324-K328 IonicContact OE2-NZ 2.66Å
325	E	95.3	Very high	96.3	Very high	57 Å²	57	42.5 Å²	42.5	27%	0.266	24%	0.244	S	C	.	.	H	α-helix	trans	-57.6	-44.8	169.8	-69.7	-172.7	113.1	0	0	111.2	R321 D322 F327 K328 I329	R321-E325 VanDerWaalsContact CA-OE2 3.27Å; R321-E325 WeakPolarHBondContact CA-OE2 3.31Å; R321-E325 HydrophobicContact CB-CB 4.23Å; R321-E325 WeakPolarHBondContact CD-OE2 3.14Å; R321-E325 IonicContact CZ-OE1 2.61Å; R321-E325 IonicContact NH1-OE1 3.55Å; R321-E325 PolarHBondContact NH1-OE1 3.2Å; D322-E325 PolarHBondContact N-OE2 2.94Å; D322-E325 PolarHBondContact OD1-N 3.45Å; E325-F327 VanDerWaalsContact C-N 3.33Å; E325-F327 PolarHBondContact O-N 2.79Å; E325-K328 PolarHBondContact O-N 2.93Å; E325-K328 VanDerWaalsContact O-N 3.14Å; E325-I329 WeakPolarHBondContact O-CG1 3.35Å; E325-I329 PolarHBondContact O-N 3.28Å
326	A	97.1	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-41.5	176.7	0	0	0	0	0	112.1	P141 L143 L318 D322 K323 E324 K328 G330 V352	P141-A326 HydrophobicContact CB-CB 3.61Å; P141-A326 HydrophobicContact CG-CB 4.13Å; L143-A326 HydrophobicContact CD2-CB 3.84Å; L143-A326 WeakPolarHBondContact CD2-O 3.31Å; L318-A326 HydrophobicContact CD1-CB 3.87Å; D322-A326 VanDerWaalsContact O-CB 3.26Å; D322-A326 WeakPolarHBondContact O-CB 3.34Å; D322-A326 PolarHBondContact O-N 2.96Å; K323-A326 WeakPolarHBondContact O-CB 3.41Å; K323-A326 PolarHBondContact O-N 3.44Å; E324-A326 VanDerWaalsContact C-N 3.31Å; A326-K328 PolarHBondContact O-N 2.82Å; A326-G330 PolarHBondContact O-N 3.46Å; A326-V352 HydrophobicContact CB-CG1 4.16Å; A326-V352 HydrophobicContact CB-CG2 4.22Å
327	F	97.5	Very high	96.3	Very high	27 Å²	27	43.9 Å²	43.9	12%	0.118	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-37.9	174.1	-86	-80.8	0	0	0	113.1	K323 E324 E325 A331 F349 V352 Y369 S371 A372	K323-F327 HydrophobicContact CD-CE2 4.31Å; K323-F327 HydrophobicContact CG-CD2 4.01Å; K323-F327 HydrophobicContact CG-CE2 3.85Å; K323-F327 WeakPolarHBondContact O-CD2 3.34Å; K323-F327 PolarHBondContact O-N 3.42Å; E324-F327 PolarHBondContact O-N 3.1Å; E325-F327 VanDerWaalsContact C-N 3.33Å; E325-F327 PolarHBondContact O-N 2.79Å; F327-A331 PolarHBondContact O-N 2.89Å; F327-F349 HydrophobicContact CB-CE1 4.29Å; F327-F349 AromaticContact CD1-CE1 3.42Å; F327-F349 HydrophobicContact CD1-CE1 3.42Å; F327-F349 VanDerWaalsContact CD1-CE1 3.42Å; F327-F349 AromaticContact CD1-CZ 3.66Å; F327-F349 HydrophobicContact CD1-CZ 3.66Å; F327-F349 HydrophobicContact CE1-CE1 4Å; F327-F349 AromaticContact CE1-CZ 3.96Å; F327-F349 HydrophobicContact CE1-CZ 3.96Å; F327-F349 HydrophobicContact CG-CE1 4.14Å; F327-F349 HydrophobicContact CG-CZ 4.21Å; F327-F349 WeakPolarHBondContact O-CE1 3.35Å; F327-V352 HydrophobicContact CD1-CG2 4.35Å; F327-V352 HydrophobicContact CD2-CG2 3.87Å; F327-V352 HydrophobicContact CE1-CG2 4.1Å; F327-V352 HydrophobicContact CE2-CB 4.12Å; F327-V352 HydrophobicContact CE2-CG2 3.59Å; F327-V352 HydrophobicContact CG-CG2 4.2Å; F327-V352 HydrophobicContact CZ-CB 4.24Å; F327-V352 HydrophobicContact CZ-CG2 3.71Å; F327-Y369 WeakPolarHBondContact CZ-O 3.4Å; F327-S371 VanDerWaalsContact CE1-CA 3.47Å; F327-S371 WeakPolarHBondContact CE2-O 3.29Å; F327-S371 VanDerWaalsContact CZ-CA 3.45Å; F327-S371 WeakPolarHBondContact CZ-O 3.28Å; F327-A372 HydrophobicContact CB-CB 4.27Å; F327-A372 HydrophobicContact CD2-CB 3.81Å; F327-A372 HydrophobicContact CE2-CB 4.44Å; F327-A372 HydrophobicContact CG-CB 4.06Å
328	K	96.8	Very high	96.3	Very high	124 Å²	124	45.3 Å²	45.3	54%	0.539	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-51.8	176.4	-67.8	160.7	-170.4	158.9	0	111.2	E324 E325 A326 G330 A331 E332	E324-K328 WeakPolarHBondContact O-CG 3.44Å; E324-K328 PolarHBondContact O-N 2.89Å; E324-K328 IonicContact OE2-NZ 2.66Å; E325-K328 PolarHBondContact O-N 2.93Å; E325-K328 VanDerWaalsContact O-N 3.14Å; A326-K328 PolarHBondContact O-N 2.82Å; K328-G330 VanDerWaalsContact C-N 3.34Å; K328-G330 PolarHBondContact O-N 3.05Å; K328-A331 PolarHBondContact O-N 3.49Å; K328-E332 PolarHBondContact O-N 3.35Å
329	I	97	Very high	96.3	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.077	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-40.7	179.2	-65.9	165.4	0	0	0	111	L143 W302 L318 R321 E325 A331 E332 I333	L143-I329 HydrophobicContact CD1-CG2 4.36Å; W302-I329 HydrophobicContact CB-CG2 4.24Å; W302-I329 HydrophobicContact CG-CG2 4.15Å; L318-I329 HydrophobicContact CD1-CB 4.1Å; L318-I329 HydrophobicContact CD1-CD1 4.09Å; L318-I329 HydrophobicContact CD1-CG2 4.04Å; L318-I329 HydrophobicContact CD2-CD1 4.38Å; L318-I329 HydrophobicContact CD2-CG2 4.01Å; R321-I329 HydrophobicContact CG-CD1 4.17Å; E325-I329 WeakPolarHBondContact O-CG1 3.35Å; E325-I329 PolarHBondContact O-N 3.28Å; I329-A331 VanDerWaalsContact C-N 3.31Å; I329-A331 PolarHBondContact O-N 3.33Å; I329-E332 PolarHBondContact O-N 3.05Å; I329-I333 HydrophobicContact CG2-CD1 3.76Å; I329-I333 HydrophobicContact CG2-CG1 4.31Å; I329-I333 WeakPolarHBondContact O-CG1 3.28Å; I329-I333 PolarHBondContact O-N 2.94Å
330	G	97.4	Very high	96.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-34.7	176.3	0	0	0	0	0	113.8	A326 K328 A334	A326-G330 PolarHBondContact O-N 3.46Å; K328-G330 VanDerWaalsContact C-N 3.34Å; K328-G330 PolarHBondContact O-N 3.05Å; G330-A334 VanDerWaalsContact O-CB 3.31Å; G330-A334 WeakPolarHBondContact O-CB 3.47Å; G330-A334 PolarHBondContact O-N 2.66Å; G330-A334 VanDerWaalsContact O-N 3.1Å
331	A	97.3	Very high	96.7	Very high	56 Å²	56	52.3 Å²	52.3	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-70.4	-41.7	172.7	0	0	0	0	0	112.4	F327 K328 I329 A334 A335	F327-A331 PolarHBondContact O-N 2.89Å; K328-A331 PolarHBondContact O-N 3.49Å; I329-A331 VanDerWaalsContact C-N 3.31Å; I329-A331 PolarHBondContact O-N 3.33Å; A331-A334 PolarHBondContact O-N 3.05Å; A331-A335 PolarHBondContact O-N 2.69Å
332	E	97.1	Very high	96.7	Very high	71 Å²	71	50.7 Å²	50.7	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-49.2	174.9	-70.6	-175.7	-176.8	0	0	111.6	R301 W302 K328 I329 A334 A335 A336	R301-E332 IonicContact NH2-OE1 3.71Å; R301-E332 PolarHBondContact NH2-OE1 3.35Å; R301-E332 VanDerWaalsContact NH2-OE1 3.15Å; R301-E332 IonicContact NH2-OE2 2.67Å; W302-E332 HydrophobicContact CZ2-CB 4.36Å; W302-E332 PolarHBondContact NE1-OE2 3.03Å; K328-E332 PolarHBondContact O-N 3.35Å; I329-E332 PolarHBondContact O-N 3.05Å; E332-A334 PolarHBondContact O-N 3.09Å; E332-A335 PolarHBondContact O-N 2.99Å; E332-A336 WeakPolarHBondContact O-CB 3.38Å; E332-A336 PolarHBondContact O-N 3.39Å
333	I	97.7	Very high	96.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-45.7	177.6	-65.8	168	0	0	0	110.9	L143 L145 V296 W302 M314 V316 I329 A335 A336 V337 L347	L143-I333 HydrophobicContact CD1-CD1 3.97Å; L145-I333 HydrophobicContact CD2-CB 4.1Å; L145-I333 HydrophobicContact CD2-CG2 3.74Å; V296-I333 HydrophobicContact CG1-CD1 4.45Å; V296-I333 HydrophobicContact CG2-CD1 4.46Å; V296-I333 HydrophobicContact CG2-CG2 3.57Å; W302-I333 HydrophobicContact CD2-CD1 4.26Å; W302-I333 HydrophobicContact CD2-CG1 3.66Å; W302-I333 HydrophobicContact CE3-CD1 4.17Å; W302-I333 HydrophobicContact CE3-CG1 3.6Å; W302-I333 HydrophobicContact CG-CG1 4.37Å; W302-I333 HydrophobicContact CH2-CB 4.44Å; W302-I333 HydrophobicContact CH2-CG1 3.92Å; W302-I333 HydrophobicContact CZ2-CG1 3.93Å; W302-I333 HydrophobicContact CZ3-CG1 3.76Å; M314-I333 HydrophobicContact CE-CG2 4.17Å; V316-I333 HydrophobicContact CG1-CD1 4.36Å; I329-I333 HydrophobicContact CG2-CD1 3.76Å; I329-I333 HydrophobicContact CG2-CG1 4.31Å; I329-I333 WeakPolarHBondContact O-CG1 3.28Å; I329-I333 PolarHBondContact O-N 2.94Å; I333-A335 VanDerWaalsContact C-N 3.29Å; I333-A335 PolarHBondContact O-N 3.17Å; I333-A336 PolarHBondContact O-N 3.42Å; I333-V337 HydrophobicContact CG2-CG2 4.15Å; I333-V337 WeakPolarHBondContact O-CB 3.35Å; I333-V337 WeakPolarHBondContact O-CG2 3.37Å; I333-V337 PolarHBondContact O-N 2.84Å; I333-L347 HydrophobicContact CG2-CD2 4.42Å
334	A	97.8	Very high	96.7	Very high	12 Å²	12	53.3 Å²	53.3	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-37	179.8	0	0	0	0	0	112.7	L145 G330 A331 E332 T338 F349	L145-A334 HydrophobicContact CD2-CB 4.2Å; G330-A334 VanDerWaalsContact O-CB 3.31Å; G330-A334 WeakPolarHBondContact O-CB 3.47Å; G330-A334 PolarHBondContact O-N 2.66Å; G330-A334 VanDerWaalsContact O-N 3.1Å; A331-A334 PolarHBondContact O-N 3.05Å; E332-A334 PolarHBondContact O-N 3.09Å; A334-T338 VanDerWaalsContact O-CB 3.28Å; A334-T338 WeakPolarHBondContact O-CB 3.46Å; A334-T338 PolarHBondContact O-N 2.61Å; A334-T338 PolarHBondContact O-OG1 3.36Å; A334-F349 HydrophobicContact CB-CB 4.02Å
335	A	97.7	Very high	96.8	Very high	58 Å²	58	48.1 Å²	48.1	48%	0.479	26%	0.259	S	S	.	.	H	α-helix	trans	-67.7	-55	174.6	0	0	0	0	0	111.4	A331 E332 I333 V337 T338 E339	A331-A335 PolarHBondContact O-N 2.69Å; E332-A335 PolarHBondContact O-N 2.99Å; I333-A335 VanDerWaalsContact C-N 3.29Å; I333-A335 PolarHBondContact O-N 3.17Å; A335-V337 PolarHBondContact O-N 2.97Å; A335-T338 WeakPolarHBondContact O-CB 3.4Å; A335-T338 PolarHBondContact O-N 2.79Å; A335-E339 PolarHBondContact O-N 2.96Å
336	A	97.3	Very high	96.8	Very high	27 Å²	27	50.5 Å²	50.5	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-42.8	-176.4	0	0	0	0	0	113.2	M295 W302 E332 I333 T338 E339 V340	M295-A336 HydrophobicContact SD-CB 4.13Å; W302-A336 HydrophobicContact CH2-CB 3.89Å; W302-A336 HydrophobicContact CZ2-CB 4.19Å; E332-A336 WeakPolarHBondContact O-CB 3.38Å; E332-A336 PolarHBondContact O-N 3.39Å; I333-A336 PolarHBondContact O-N 3.42Å; A336-T338 VanDerWaalsContact C-N 3.33Å; A336-T338 PolarHBondContact O-N 3.4Å; A336-E339 PolarHBondContact O-N 2.69Å; A336-V340 PolarHBondContact O-N 3.4Å
337	V	97.5	Very high	96.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-69.3	-31.3	176.3	177.6	0	0	0	0	111.8	F147 A292 M295 M314 I333 A335 V340 N341 L347	F147-V337 HydrophobicContact CE1-CG1 4.19Å; F147-V337 HydrophobicContact CZ-CG1 3.83Å; A292-V337 HydrophobicContact CB-CG1 3.67Å; A292-V337 HydrophobicContact CB-CG2 4.24Å; M295-V337 HydrophobicContact SD-CB 4.49Å; M295-V337 HydrophobicContact SD-CG2 3.66Å; M314-V337 HydrophobicContact CE-CG2 4.44Å; I333-V337 HydrophobicContact CG2-CG2 4.15Å; I333-V337 WeakPolarHBondContact O-CB 3.35Å; I333-V337 WeakPolarHBondContact O-CG2 3.37Å; I333-V337 PolarHBondContact O-N 2.84Å; A335-V337 PolarHBondContact O-N 2.97Å; V337-V340 WeakPolarHBondContact O-CG2 3.44Å; V337-N341 PolarHBondContact O-ND2 2.88Å; V337-L347 HydrophobicContact CB-CB 4.25Å; V337-L347 HydrophobicContact CB-CD2 3.67Å; V337-L347 HydrophobicContact CG1-CB 4.09Å; V337-L347 HydrophobicContact CG1-CD2 3.8Å; V337-L347 HydrophobicContact CG1-CG 4.49Å; V337-L347 HydrophobicContact CG2-CD2 3.95Å
338	T	97.7	Very high	96.8	Very high	35 Å²	35	53.1 Å²	53.1	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-71.5	-38.6	175.2	-62.1	0	0	0	0	111.6	A334 A335 A336 V340 N341 K346 L347	A334-T338 VanDerWaalsContact O-CB 3.28Å; A334-T338 WeakPolarHBondContact O-CB 3.46Å; A334-T338 PolarHBondContact O-N 2.61Å; A334-T338 PolarHBondContact O-OG1 3.36Å; A335-T338 WeakPolarHBondContact O-CB 3.4Å; A335-T338 PolarHBondContact O-N 2.79Å; A336-T338 VanDerWaalsContact C-N 3.33Å; A336-T338 PolarHBondContact O-N 3.4Å; T338-V340 PolarHBondContact O-N 2.73Å; T338-N341 PolarHBondContact O-N 2.82Å; T338-K346 HydrophobicContact CG2-CB 4.13Å; T338-K346 HydrophobicContact CG2-CD 4.4Å; T338-K346 HydrophobicContact CG2-CG 3.91Å; T338-L347 PolarHBondContact OG1-N 3.24Å; T338-L347 PolarHBondContact OG1-O 3.12Å
339	E	97.1	Very high	96.8	Very high	169 Å²	169	49 Å²	49	79%	0.79	26%	0.262	S	S	*	.	H	α-helix	trans	-63.4	-38.3	-177.7	-173	177.1	167.1	0	0	113.2	A335 A336 N341	A335-E339 PolarHBondContact O-N 2.96Å; A336-E339 PolarHBondContact O-N 2.69Å; E339-N341 PolarHBondContact O-N 3.16Å
340	V	96.6	Very high	96.7	Very high	95 Å²	95	51.3 Å²	51.3	58%	0.576	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.2	178.6	-59.9	0	0	0	0	114.4	M295 A336 V337 T338	M295-V340 HydrophobicContact CE-CB 4.18Å; M295-V340 HydrophobicContact CE-CG1 3.61Å; M295-V340 HydrophobicContact CE-CG2 3.54Å; A336-V340 PolarHBondContact O-N 3.4Å; V337-V340 WeakPolarHBondContact O-CG2 3.44Å; T338-V340 PolarHBondContact O-N 2.73Å
341	N	96.5	Very high	96.6	Very high	27 Å²	27	52.4 Å²	52.4	14%	0.144	28%	0.277	C	S	.	.	S	Bend	trans	-109.3	143.9	-176.1	-87.1	-73.3	0	0	0	111.9	V337 T338 E339 V345	V337-N341 PolarHBondContact O-ND2 2.88Å; T338-N341 PolarHBondContact O-N 2.82Å; E339-N341 PolarHBondContact O-N 3.16Å; N341-V345 HydrophobicContact CB-CB 4.06Å; N341-V345 HydrophobicContact CB-CG1 3.91Å
342	P	95.9	Very high	96.6	Very high	49 Å²	49	49.7 Å²	49.7	32%	0.318	26%	0.255	S	S	.	.			trans	-67.7	143.8	177.9	28.3	-35	0	0	0	111.7	A157 Y158 V345	A157-P342 HydrophobicContact CB-CB 4.09Å; A157-P342 HydrophobicContact CB-CG 3.83Å; Y158-P342 HydrophobicContact CE1-CG 4.18Å; Y158-P342 HydrophobicContact CE2-CG 4.05Å; Y158-P342 WeakPolarHBondContact OH-CG 3.35Å; P342-V345 WeakPolarHBondContact O-CB 3.35Å; P342-V345 PolarHBondContact O-N 3.24Å
343	Y	94.1	Very high	96.7	Very high	164 Å²	164	46.4 Å²	46.4	64%	0.643	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	135.5	172.9	175.5	-89.7	0	0	0	111	A157 Q223	A157-Y343 WeakPolarHBondContact CB-O 3.02Å; Q223-Y343 PolarHBondContact NE2-OH 3.01Å
344	P	94.8	Very high	96.6	Very high	22 Å²	22	48.4 Å²	48.4	14%	0.143	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	cis	-101.2	22.6	5.6	40.1	-36.6	0	0	0	114.3	I156 K346	I156-P344 HydrophobicContact CB-CG 4.02Å; I156-P344 HydrophobicContact CD1-CG 3.92Å; I156-P344 VanDerWaalsContact CG2-CD 3.48Å; I156-P344 HydrophobicContact CG2-CG 3.85Å; P344-K346 PolarHBondContact O-N 3.15Å
345	V	96.4	Very high	96.4	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.012	26%	0.259	C	S	.	.			trans	-65.1	110.5	-179.9	178.3	0	0	0	0	109.5	F147 I154 A157 T288 N341 P342	F147-V345 HydrophobicContact CD1-CG1 4.01Å; F147-V345 HydrophobicContact CE1-CG1 3.94Å; I154-V345 HydrophobicContact CG1-CG2 4.35Å; A157-V345 HydrophobicContact CB-CG2 4.07Å; T288-V345 HydrophobicContact CG2-CG1 4.08Å; N341-V345 HydrophobicContact CB-CB 4.06Å; N341-V345 HydrophobicContact CB-CG1 3.91Å; P342-V345 WeakPolarHBondContact O-CB 3.35Å; P342-V345 PolarHBondContact O-N 3.24Å
346	K	96.3	Very high	96.3	Very high	107 Å²	107	47.3 Å²	47.3	47%	0.465	24%	0.238	S	C	.	.			trans	-131.6	127.1	-174.1	175.9	163.3	-172.9	162.3	0	111.6	Q148 T338 P344	Q148-K346 PolarHBondContact N-O 3.16Å; T338-K346 HydrophobicContact CG2-CB 4.13Å; T338-K346 HydrophobicContact CG2-CD 4.4Å; T338-K346 HydrophobicContact CG2-CG 3.91Å; P344-K346 PolarHBondContact O-N 3.15Å
347	L	97.1	Very high	96.1	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	136.8	169.4	-170.3	65.5	0	0	0	109.6	L145 F147 M314 I333 V337 T338	L145-L347 HydrophobicContact CB-CD1 3.93Å; L145-L347 HydrophobicContact CB-CD2 4.01Å; L145-L347 HydrophobicContact CB-CG 4.05Å; L145-L347 HydrophobicContact CD2-CD2 3.78Å; L145-L347 HydrophobicContact CD2-CG 4.34Å; F147-L347 HydrophobicContact CD1-CB 4.23Å; F147-L347 HydrophobicContact CD1-CD1 4.14Å; F147-L347 HydrophobicContact CD2-CD1 3.91Å; F147-L347 HydrophobicContact CE1-CB 4Å; F147-L347 HydrophobicContact CE1-CD1 4.19Å; F147-L347 HydrophobicContact CE2-CD1 3.96Å; F147-L347 HydrophobicContact CG-CD1 4Å; F147-L347 HydrophobicContact CZ-CB 4.48Å; F147-L347 HydrophobicContact CZ-CD1 4.1Å; M314-L347 HydrophobicContact CE-CD1 4.43Å; M314-L347 HydrophobicContact CE-CD2 3.41Å; M314-L347 VanDerWaalsContact CE-CD2 3.41Å; I333-L347 HydrophobicContact CG2-CD2 4.42Å; V337-L347 HydrophobicContact CB-CB 4.25Å; V337-L347 HydrophobicContact CB-CD2 3.67Å; V337-L347 HydrophobicContact CG1-CB 4.09Å; V337-L347 HydrophobicContact CG1-CD2 3.8Å; V337-L347 HydrophobicContact CG1-CG 4.49Å; V337-L347 HydrophobicContact CG2-CD2 3.95Å; T338-L347 PolarHBondContact OG1-N 3.24Å; T338-L347 PolarHBondContact OG1-O 3.12Å
348	K	95.8	Very high	95.9	Very high	78 Å²	78	46.8 Å²	46.8	34%	0.339	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.3	174.8	-170.3	-158.6	159.5	-156.8	0	109.1	L145 D146 Q148 E350	L145-K348 CarbonylContact C-O 3.59Å; L145-K348 VanDerWaalsContact CA-O 3.3Å; L145-K348 WeakPolarHBondContact CA-O 3.37Å; D146-K348 PolarHBondContact N-O 2.7Å; D146-K348 WeakPolarHBondContact O-CA 3.17Å; D146-K348 WeakPolarHBondContact O-CB 3.39Å; D146-K348 PolarHBondContact O-N 2.89Å; Q148-K348 HydrophobicContact CG-CB 3.7Å; Q148-K348 HydrophobicContact CG-CG 4.44Å; K348-E350 HydrophobicContact CD-CG 4.21Å; K348-E350 IonicContact NZ-OE1 3.17Å; K348-E350 PolarHBondContact NZ-OE1 3.02Å; K348-E350 PolarHBondContact O-N 2.8Å
349	F	97.1	Very high	95.5	Very high	37 Å²	37	46.4 Å²	46.4	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.2	160.3	176.4	-144.9	0	0	0	109.2	L143 L145 F327 A334 K351 V352	L143-F349 HydrophobicContact CB-CE2 4.19Å; L143-F349 HydrophobicContact CD2-CE2 3.87Å; L143-F349 HydrophobicContact CD2-CZ 4.06Å; L145-F349 HydrophobicContact CD2-CB 4.34Å; L145-F349 HydrophobicContact CG-CD2 4.36Å; F327-F349 HydrophobicContact CB-CE1 4.29Å; F327-F349 AromaticContact CD1-CE1 3.42Å; F327-F349 HydrophobicContact CD1-CE1 3.42Å; F327-F349 VanDerWaalsContact CD1-CE1 3.42Å; F327-F349 AromaticContact CD1-CZ 3.66Å; F327-F349 HydrophobicContact CD1-CZ 3.66Å; F327-F349 HydrophobicContact CE1-CE1 4Å; F327-F349 AromaticContact CE1-CZ 3.96Å; F327-F349 HydrophobicContact CE1-CZ 3.96Å; F327-F349 HydrophobicContact CG-CE1 4.14Å; F327-F349 HydrophobicContact CG-CZ 4.21Å; F327-F349 WeakPolarHBondContact O-CE1 3.35Å; A334-F349 HydrophobicContact CB-CB 4.02Å; F349-K351 WeakPolarHBondContact CE2-O 3.39Å; F349-V352 HydrophobicContact CE2-CG2 3.96Å; F349-V352 HydrophobicContact CZ-CG2 3.56Å
350	E	94.7	Very high	95.1	Very high	65 Å²	65	40.9 Å²	40.9	30%	0.304	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-50.9	-175.3	-70.2	-117.6	112.3	0	0	112.6	V144 D146 K348	V144-E350 PolarHBondContact O-N 2.67Å; D146-E350 HydrophobicContact CB-CG 3.84Å; K348-E350 HydrophobicContact CD-CG 4.21Å; K348-E350 IonicContact NZ-OE1 3.17Å; K348-E350 PolarHBondContact NZ-OE1 3.02Å; K348-E350 PolarHBondContact O-N 2.8Å
351	K	96.6	Very high	94.9	Very high	22 Å²	22	40.2 Å²	40.2	10%	0.096	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	163.7	-167.6	57.8	-170	171.6	-169.3	0	111.7	V144 F349 Y353 Y369 D380	V144-K351 HydrophobicContact CB-CG 3.86Å; V144-K351 HydrophobicContact CG2-CG 4Å; V144-K351 PolarHBondContact N-O 3.04Å; F349-K351 WeakPolarHBondContact CE2-O 3.39Å; K351-Y353 PolarHBondContact NZ-OH 2.94Å; K351-Y369 CarbonylContact C-O 3.53Å; K351-Y369 WeakPolarHBondContact CA-O 3.36Å; K351-Y369 VanDerWaalsContact CB-O 3.23Å; K351-Y369 WeakPolarHBondContact CB-O 2.76Å; K351-D380 IonicContact NZ-OD2 3.49Å; K351-D380 PolarHBondContact NZ-OD2 2.83Å
352	V	97.9	Very high	94.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.9	168.2	-175.9	0	0	0	0	109	P141 L143 A326 F327 F349 S368 Y369	P141-V352 HydrophobicContact CB-CG1 3.79Å; L143-V352 HydrophobicContact CD2-CG2 3.94Å; A326-V352 HydrophobicContact CB-CG1 4.16Å; A326-V352 HydrophobicContact CB-CG2 4.22Å; F327-V352 HydrophobicContact CD1-CG2 4.35Å; F327-V352 HydrophobicContact CD2-CG2 3.87Å; F327-V352 HydrophobicContact CE1-CG2 4.1Å; F327-V352 HydrophobicContact CE2-CB 4.12Å; F327-V352 HydrophobicContact CE2-CG2 3.59Å; F327-V352 HydrophobicContact CG-CG2 4.2Å; F327-V352 HydrophobicContact CZ-CB 4.24Å; F327-V352 HydrophobicContact CZ-CG2 3.71Å; F349-V352 HydrophobicContact CE2-CG2 3.96Å; F349-V352 HydrophobicContact CZ-CG2 3.56Å; V352-S368 CarbonylContact O-C 3.5Å; V352-S368 WeakPolarHBondContact O-CA 3.33Å; V352-Y369 PolarHBondContact N-O 3.09Å; V352-Y369 PolarHBondContact O-N 3.42Å
353	Y	97.7	Very high	94.3	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.7	163.8	-77.5	-54.9	0	0	0	110.8	P141 V142 V144 F315 K351 C356 Y364 Y367 D380	P141-Y353 WeakPolarHBondContact CA-O 3.23Å; V142-Y353 PolarHBondContact N-O 3.32Å; V142-Y353 PolarHBondContact O-N 3.11Å; V144-Y353 HydrophobicContact CG2-CD2 3.5Å; V144-Y353 HydrophobicContact CG2-CE2 3.39Å; F315-Y353 HydrophobicContact CD1-CE2 4.49Å; F315-Y353 HydrophobicContact CE1-CD2 4.11Å; F315-Y353 AromaticContact CE1-CE2 3.68Å; F315-Y353 HydrophobicContact CE1-CE2 3.68Å; F315-Y353 HydrophobicContact CZ-CE2 4.26Å; K351-Y353 PolarHBondContact NZ-OH 2.94Å; Y353-C356 HydrophobicContact CD1-CB 4.34Å; Y353-C356 HydrophobicContact CD2-CB 4.35Å; Y353-C356 HydrophobicContact CG-CB 3.92Å; Y353-Y364 HydrophobicContact CE2-CD2 4.44Å; Y353-Y364 HydrophobicContact CE2-CE2 4.48Å; Y353-Y367 CarbonylContact C-O 3.55Å; Y353-Y367 WeakPolarHBondContact CA-O 3.39Å; Y353-D380 HydrophobicContact CE1-CB 4.09Å; Y353-D380 PolarHBondContact OH-OD2 3.36Å
354	L	96	Very high	94.2	Very high	42 Å²	42	37.7 Å²	37.7	22%	0.22	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	104.5	175.2	179.5	63.1	0	0	0	111.4	S139 P141 K323 Y367 Y369	S139-L354 WeakPolarHBondContact O-CD1 2.97Å; P141-L354 HydrophobicContact CG-CD1 4.24Å; K323-L354 HydrophobicContact CB-CD2 4.28Å; L354-Y367 PolarHBondContact N-O 2.71Å; L354-Y369 HydrophobicContact CB-CD2 4.35Å; L354-Y369 HydrophobicContact CB-CE2 3.98Å; L354-Y369 WeakPolarHBondContact O-CE2 3.2Å
355	P	94.6	Very high	94.1	Very high	44 Å²	44	37.7 Å²	37.7	29%	0.286	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.9	175.4	-17.2	34	-39	0	0	0	113.3	F137 C138 G366 Y367	F137-P355 HydrophobicContact CE2-CB 3.72Å; F137-P355 HydrophobicContact CE2-CG 4.11Å; F137-P355 HydrophobicContact CZ-CB 3.89Å; F137-P355 HydrophobicContact CZ-CG 4.27Å; C138-P355 VanDerWaalsContact O-CA 3.31Å; C138-P355 WeakPolarHBondContact O-CA 3.23Å; C138-P355 WeakPolarHBondContact O-CB 3.28Å; P355-G366 WeakPolarHBondContact O-CA 3.15Å; P355-Y367 PolarHBondContact O-N 3.06Å
356	C	95	Very high	94	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.8	164.8	58.6	0	0	0	0	113.8	C138 Y353 V365	C138-C356 PolarHBondContact N-O 3.17Å; C138-C356 PolarHBondContact O-N 2.94Å; C138-C356 VanDerWaalsContact O-N 3.1Å; Y353-C356 HydrophobicContact CD1-CB 4.34Å; Y353-C356 HydrophobicContact CD2-CB 4.35Å; Y353-C356 HydrophobicContact CG-CB 3.92Å; C356-V365 CarbonylContact C-O 3.54Å; C356-V365 VanDerWaalsContact CA-O 3.31Å; C356-V365 WeakPolarHBondContact CA-O 3.43Å; C356-V365 WeakPolarHBondContact CB-O 3.47Å
357	V	93.5	Very high	94	Very high	14 Å²	14	38 Å²	38	9%	0.085	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122	166.4	172.9	0	0	0	0	108.4	M136 F137 Y364 V365 L461	M136-V357 WeakPolarHBondContact O-CA 3.45Å; F137-V357 HydrophobicContact CD2-CG2 3.83Å; V357-Y364 VanDerWaalsContact O-CA 3.31Å; V357-Y364 WeakPolarHBondContact O-CA 3.31Å; V357-Y364 WeakPolarHBondContact O-CB 3.39Å; V357-V365 HydrophobicContact CB-CG1 3.99Å; V357-V365 PolarHBondContact N-O 2.69Å; V357-V365 PolarHBondContact O-N 3.12Å; V357-L461 HydrophobicContact CG1-CD1 3.4Å; V357-L461 HydrophobicContact CG2-CD1 4.49Å
358	L	93	Very high	94	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.8	163.3	-59.3	-170.8	0	0	0	107.9	P133 S135 M136 I307 F315 Y364	P133-L358 HydrophobicContact CB-CB 4.24Å; P133-L358 HydrophobicContact CB-CD1 4.4Å; S135-L358 WeakPolarHBondContact CA-O 3.49Å; M136-L358 PolarHBondContact N-O 3.42Å; M136-L358 PolarHBondContact O-N 3.03Å; I307-L358 HydrophobicContact CB-CD1 4.5Å; I307-L358 HydrophobicContact CD1-CD1 3.48Å; I307-L358 VanDerWaalsContact CD1-CD1 3.48Å; I307-L358 HydrophobicContact CD1-CG 4.48Å; I307-L358 HydrophobicContact CG1-CD1 3.81Å; F315-L358 HydrophobicContact CD1-CD2 3.96Å; F315-L358 HydrophobicContact CE1-CD2 4.04Å; L358-Y364 HydrophobicContact CD2-CG 4.29Å
359	Q	88.1	Confident	94.1	Very high	28 Å²	28	35.9 Å²	35.9	13%	0.131	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-62	-171.7	-154.2	-126.8	-36.9	0	0	112.6	S135 R363 R457	S135-Q359 PolarHBondContact OG-O 3.23Å; Q359-R363 HydrophobicContact CB-CB 4.38Å; Q359-R363 WeakPolarHBondContact CB-O 3.33Å; Q359-R363 PolarHBondContact N-O 3.42Å; Q359-R457 WeakPolarHBondContact CG-O 3.39Å; Q359-R457 VanDerWaalsContact NE2-CG 3.25Å
360	T	90.2	Very high	94	Very high	52 Å²	52	40.4 Å²	40.4	32%	0.319	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	177.5	172.5	57.5	0	0	0	0	108.6	K362 R363	T360-K362 PolarHBondContact O-N 3.22Å; T360-K362 VanDerWaalsContact O-N 3.17Å; T360-R363 PolarHBondContact N-O 3.27Å; T360-R363 PolarHBondContact O-N 3.34Å; T360-R363 VanDerWaalsContact O-O 3.14Å; T360-R363 WeakPolarHBondContact OG1-CD 3.27Å
361	K	91	Very high	94	Very high	81 Å²	81	39.6 Å²	39.6	35%	0.352	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	127.6	178.7	-46.7	-159.8	-168.4	-166.4	0	111.5	N130 M131 E132 R363	N130-K361 HydrophobicContact CB-CD 4.1Å; N130-K361 PolarHBondContact O-NZ 3.29Å; M131-K361 WeakPolarHBondContact O-CD 3.44Å; M131-K361 WeakPolarHBondContact O-CE 3.48Å; E132-K361 VanDerWaalsContact OE1-CG 3.27Å; E132-K361 WeakPolarHBondContact OE1-CG 3.38Å; E132-K361 WeakPolarHBondContact OE2-CE 3.46Å; E132-K361 IonicContact OE2-NZ 2.71Å; E132-K361 PolarHBondContact OE2-NZ 2.87Å; K361-R363 PolarHBondContact O-N 2.96Å
362	K	89.4	Confident	93.9	Very high	103 Å²	103	40 Å²	40	45%	0.448	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	17.5	179.4	-43.2	-162.1	178.8	-133.8	0	114.5	Y308 D310 T360 K382 G383	Y308-K362 PolarHBondContact OH-N 2.94Å; D310-K362 VanDerWaalsContact CG-NZ 3.29Å; D310-K362 WeakPolarHBondContact OD1-CE 3.25Å; D310-K362 IonicContact OD1-NZ 2.69Å; D310-K362 PolarHBondContact OD1-NZ 3.17Å; D310-K362 VanDerWaalsContact OD2-CE 3.26Å; D310-K362 WeakPolarHBondContact OD2-CE 3.41Å; D310-K362 WeakPolarHBondContact OD2-CG 3.31Å; D310-K362 IonicContact OD2-NZ 2.87Å; D310-K362 PolarHBondContact OD2-NZ 2.65Å; D310-K362 VanDerWaalsContact OD2-NZ 3.13Å; T360-K362 PolarHBondContact O-N 3.22Å; T360-K362 VanDerWaalsContact O-N 3.17Å; K362-K382 CarbonylContact O-C 3.44Å; K362-G383 WeakPolarHBondContact O-CA 3.22Å
363	R	90.6	Very high	93.7	Very high	57 Å²	57	46.9 Å²	46.9	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	100	176.2	-72.2	176.6	170.6	-92.3	5.6	110.2	Q359 T360 K361 K382 G383 E385	Q359-R363 HydrophobicContact CB-CB 4.38Å; Q359-R363 WeakPolarHBondContact CB-O 3.33Å; Q359-R363 PolarHBondContact N-O 3.42Å; T360-R363 PolarHBondContact N-O 3.27Å; T360-R363 PolarHBondContact O-N 3.34Å; T360-R363 VanDerWaalsContact O-O 3.14Å; T360-R363 WeakPolarHBondContact OG1-CD 3.27Å; K361-R363 PolarHBondContact O-N 2.96Å; R363-K382 WeakPolarHBondContact CA-O 3.45Å; R363-G383 PolarHBondContact NH1-O 3.48Å; R363-E385 IonicContact CZ-OE1 3.64Å; R363-E385 IonicContact NH1-OE1 2.7Å; R363-E385 PolarHBondContact NH1-OE1 2.99Å; R363-E385 IonicContact NH1-OE2 3.72Å; R363-E385 IonicContact NH2-OE1 3.66Å
364	Y	92.5	Very high	93.6	Very high	28 Å²	28	48.4 Å²	48.4	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	156.7	178.7	51.8	-95	0	0	0	111	Y308 F315 Y353 V357 L358 K382	Y308-Y364 HydrophobicContact CE1-CD1 4.03Å; Y308-Y364 AromaticContact CE1-CE1 3.8Å; Y308-Y364 HydrophobicContact CE1-CE1 3.8Å; F315-Y364 HydrophobicContact CE1-CD2 4.14Å; F315-Y364 HydrophobicContact CE1-CE2 4.08Å; F315-Y364 HydrophobicContact CE1-CG 4.42Å; F315-Y364 HydrophobicContact CZ-CD1 4.47Å; F315-Y364 HydrophobicContact CZ-CD2 4.19Å; F315-Y364 HydrophobicContact CZ-CE1 4.01Å; F315-Y364 AromaticContact CZ-CE2 3.69Å; F315-Y364 HydrophobicContact CZ-CE2 3.69Å; F315-Y364 AromaticContact CZ-CZ 3.58Å; Y353-Y364 HydrophobicContact CE2-CD2 4.44Å; Y353-Y364 HydrophobicContact CE2-CE2 4.48Å; V357-Y364 VanDerWaalsContact O-CA 3.31Å; V357-Y364 WeakPolarHBondContact O-CA 3.31Å; V357-Y364 WeakPolarHBondContact O-CB 3.39Å; L358-Y364 HydrophobicContact CD2-CG 4.29Å; Y364-K382 HydrophobicContact CD1-CB 4.42Å; Y364-K382 HydrophobicContact CD2-CB 3.99Å; Y364-K382 HydrophobicContact CD2-CG 3.94Å; Y364-K382 HydrophobicContact CE1-CB 4.09Å; Y364-K382 HydrophobicContact CE1-CG 4.39Å; Y364-K382 HydrophobicContact CE2-CB 3.63Å; Y364-K382 HydrophobicContact CE2-CG 3.22Å; Y364-K382 HydrophobicContact CG-CB 4.37Å; Y364-K382 PolarHBondContact N-O 3.09Å; Y364-K382 VanDerWaalsContact N-O 3.11Å; Y364-K382 PolarHBondContact O-N 2.78Å
365	V	93.1	Very high	93.4	Very high	21 Å²	21	57 Å²	57	13%	0.127	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144	-178.4	59.1	0	0	0	0	110.1	C356 V357 F379 D380 A381 I384	C356-V365 CarbonylContact C-O 3.54Å; C356-V365 VanDerWaalsContact CA-O 3.31Å; C356-V365 WeakPolarHBondContact CA-O 3.43Å; C356-V365 WeakPolarHBondContact CB-O 3.47Å; V357-V365 HydrophobicContact CB-CG1 3.99Å; V357-V365 PolarHBondContact N-O 2.69Å; V357-V365 PolarHBondContact O-N 3.12Å; V365-F379 HydrophobicContact CG2-CD2 4.36Å; V365-F379 HydrophobicContact CG2-CE1 4.34Å; V365-F379 HydrophobicContact CG2-CE2 3.47Å; V365-F379 VanDerWaalsContact CG2-CE2 3.47Å; V365-F379 HydrophobicContact CG2-CZ 3.46Å; V365-F379 VanDerWaalsContact CG2-CZ 3.46Å; V365-D380 WeakPolarHBondContact CA-O 3.4Å; V365-A381 HydrophobicContact CG2-CB 4.27Å; V365-I384 HydrophobicContact CB-CD1 3.78Å; V365-I384 HydrophobicContact CG1-CD1 4.29Å; V365-I384 HydrophobicContact CG2-CD1 3.8Å
366	G	93.7	Very high	93.4	Very high	6 Å²	6	62.3 Å²	62.3	6%	0.062	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	168.8	177.9	0	0	0	0	0	114	P355 D380	P355-G366 WeakPolarHBondContact O-CA 3.15Å; G366-D380 PolarHBondContact N-O 2.85Å; G366-D380 PolarHBondContact O-N 3.38Å
367	Y	97.1	Very high	93.4	Very high	111 Å²	111	64 Å²	64	44%	0.435	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.5	171.3	-78.4	-53.8	0	0	0	109.1	Y353 L354 P355 P377 F379	Y353-Y367 CarbonylContact C-O 3.55Å; Y353-Y367 WeakPolarHBondContact CA-O 3.39Å; L354-Y367 PolarHBondContact N-O 2.71Å; P355-Y367 PolarHBondContact O-N 3.06Å; Y367-P377 HydrophobicContact CD1-CB 3.72Å; Y367-P377 HydrophobicContact CD1-CG 3.61Å; Y367-P377 HydrophobicContact CE1-CG 4.22Å; Y367-P377 HydrophobicContact CG-CB 3.92Å; Y367-P377 HydrophobicContact CG-CG 3.9Å; Y367-F379 HydrophobicContact CD1-CB 4.34Å; Y367-F379 HydrophobicContact CD1-CD2 4.49Å; Y367-F379 HydrophobicContact CE1-CB 4.13Å; Y367-F379 HydrophobicContact CE1-CD2 4.07Å
368	S	96.6	Very high	93.5	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.028	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.4	-176.1	58.3	0	0	0	0	113.2	V352 Q374 I378	V352-S368 CarbonylContact O-C 3.5Å; V352-S368 WeakPolarHBondContact O-CA 3.33Å; S368-Q374 PolarHBondContact O-NE2 3.1Å; S368-I378 PolarHBondContact N-O 2.81Å; S368-I378 PolarHBondContact O-N 3.23Å; S368-I378 PolarHBondContact OG-O 2.95Å
369	Y	97.9	Very high	93.5	Very high	32 Å²	32	72.3 Å²	72.3	13%	0.125	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128	172.3	-57.6	-95.9	0	0	0	108.4	K323 F327 K351 V352 L354 Q374 P377	K323-Y369 HydrophobicContact CD-CD1 3.9Å; K323-Y369 HydrophobicContact CD-CD2 4.33Å; K323-Y369 HydrophobicContact CD-CE1 4.25Å; K323-Y369 HydrophobicContact CD-CG 3.94Å; F327-Y369 WeakPolarHBondContact CZ-O 3.4Å; K351-Y369 CarbonylContact C-O 3.53Å; K351-Y369 WeakPolarHBondContact CA-O 3.36Å; K351-Y369 VanDerWaalsContact CB-O 3.23Å; K351-Y369 WeakPolarHBondContact CB-O 2.76Å; V352-Y369 PolarHBondContact N-O 3.09Å; V352-Y369 PolarHBondContact O-N 3.42Å; L354-Y369 HydrophobicContact CB-CD2 4.35Å; L354-Y369 HydrophobicContact CB-CE2 3.98Å; L354-Y369 WeakPolarHBondContact O-CE2 3.2Å; Y369-Q374 HydrophobicContact CD1-CB 4.26Å; Y369-Q374 HydrophobicContact CD1-CG 4.15Å; Y369-Q374 WeakPolarHBondContact CD1-O 3.46Å; Y369-P377 HydrophobicContact CE1-CB 3.99Å; Y369-P377 HydrophobicContact CE2-CB 4.04Å
370	E	95.4	Very high	93.7	Very high	131 Å²	131	72 Å²	72	61%	0.612	34%	0.342	S	S	*	.	S	Bend	trans	-93.8	-13.4	176.4	-59.9	-170.1	162.1	0	0	112.4
371	S	94.6	Very high	93.7	Very high	49 Å²	49	70 Å²	70	34%	0.343	33%	0.331	S	S	.	.	S	Bend	trans	-146.7	158.1	174.1	58.4	0	0	0	0	111.9	F327 D373 Q374	F327-S371 VanDerWaalsContact CE1-CA 3.47Å; F327-S371 WeakPolarHBondContact CE2-O 3.29Å; F327-S371 VanDerWaalsContact CZ-CA 3.45Å; F327-S371 WeakPolarHBondContact CZ-O 3.28Å; S371-D373 VanDerWaalsContact C-N 3.32Å; S371-D373 PolarHBondContact O-N 3.47Å; S371-Q374 WeakPolarHBondContact O-CB 3.41Å; S371-Q374 PolarHBondContact O-N 2.68Å
372	A	94.1	Very high	93.6	Very high	30 Å²	30	69.9 Å²	69.9	25%	0.248	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-39.6	177	0	0	0	0	0	111.9	K323 F327 Q374	K323-A372 WeakPolarHBondContact CE-O 3.27Å; K323-A372 PolarHBondContact NZ-O 3.36Å; F327-A372 HydrophobicContact CB-CB 4.27Å; F327-A372 HydrophobicContact CD2-CB 3.81Å; F327-A372 HydrophobicContact CE2-CB 4.44Å; F327-A372 HydrophobicContact CG-CB 4.06Å; A372-Q374 PolarHBondContact O-N 2.98Å
373	D	94.4	Very high	93.4	Very high	144 Å²	144	66.2 Å²	66.2	77%	0.77	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.3	-178.9	-50.8	-66.7	0	0	0	113.9	S371 R375	S371-D373 VanDerWaalsContact C-N 3.32Å; S371-D373 PolarHBondContact O-N 3.47Å; D373-R375 PolarHBondContact O-N 2.87Å
374	Q	93.7	Very high	93	Very high	34 Å²	34	64.6 Å²	64.6	16%	0.159	32%	0.317	C	S	.	.			trans	-63.5	117.9	179.2	-178.7	177.6	-15	0	0	110.6	K323 S368 Y369 S371 A372 E376	K323-Q374 PolarHBondContact NZ-O 3.01Å; S368-Q374 PolarHBondContact O-NE2 3.1Å; Y369-Q374 HydrophobicContact CD1-CB 4.26Å; Y369-Q374 HydrophobicContact CD1-CG 4.15Å; Y369-Q374 WeakPolarHBondContact CD1-O 3.46Å; S371-Q374 WeakPolarHBondContact O-CB 3.41Å; S371-Q374 PolarHBondContact O-N 2.68Å; A372-Q374 PolarHBondContact O-N 2.98Å; Q374-E376 VanDerWaalsContact CG-O 3.23Å; Q374-E376 WeakPolarHBondContact CG-O 3.47Å; Q374-E376 PolarHBondContact NE2-O 2.81Å
375	R	92.6	Very high	92.4	Very high	222 Å²	222	64.9 Å²	64.9	84%	0.838	32%	0.319	S	S	*	.			trans	-82.6	-56.6	177.9	-63.1	-175.8	-179.7	-172	-1.4	112	D373	D373-R375 PolarHBondContact O-N 2.87Å
376	E	94.6	Very high	91.5	Very high	155 Å²	155	67.8 Å²	67.8	72%	0.724	34%	0.337	S	S	*	.	S	Bend	trans	-82.2	123.4	-179.7	-64	-56	135.3	0	0	111.1	Q374	Q374-E376 VanDerWaalsContact CG-O 3.23Å; Q374-E376 WeakPolarHBondContact CG-O 3.47Å; Q374-E376 PolarHBondContact NE2-O 2.81Å
377	P	95.4	Very high	90.6	Very high	39 Å²	39	71.2 Å²	71.2	25%	0.253	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-72.8	153.7	176.5	28.6	-33.5	0	0	0	112.6	Y367 Y369	Y367-P377 HydrophobicContact CD1-CB 3.72Å; Y367-P377 HydrophobicContact CD1-CG 3.61Å; Y367-P377 HydrophobicContact CE1-CG 4.22Å; Y367-P377 HydrophobicContact CG-CB 3.92Å; Y367-P377 HydrophobicContact CG-CG 3.9Å; Y369-P377 HydrophobicContact CE1-CB 3.99Å; Y369-P377 HydrophobicContact CE2-CB 4.04Å
378	I	94.7	Very high	89.4	Confident	83 Å²	83	70.4 Å²	70.4	43%	0.426	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121	167.1	-63	163.3	0	0	0	108	S368 D380	S368-I378 PolarHBondContact N-O 2.81Å; S368-I378 PolarHBondContact O-N 3.23Å; S368-I378 PolarHBondContact OG-O 2.95Å; I378-D380 PolarHBondContact O-N 3.24Å
379	F	93.2	Very high	88.1	Confident	108 Å²	108	77.2 Å²	77.2	47%	0.474	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	109.7	171	179.5	-97.8	0	0	0	109.7	V365 Y367 A381	V365-F379 HydrophobicContact CG2-CD2 4.36Å; V365-F379 HydrophobicContact CG2-CE1 4.34Å; V365-F379 HydrophobicContact CG2-CE2 3.47Å; V365-F379 VanDerWaalsContact CG2-CE2 3.47Å; V365-F379 HydrophobicContact CG2-CZ 3.46Å; V365-F379 VanDerWaalsContact CG2-CZ 3.46Å; Y367-F379 HydrophobicContact CD1-CB 4.34Å; Y367-F379 HydrophobicContact CD1-CD2 4.49Å; Y367-F379 HydrophobicContact CE1-CB 4.13Å; Y367-F379 HydrophobicContact CE1-CD2 4.07Å; F379-A381 HydrophobicContact CD1-CB 4.46Å; F379-A381 HydrophobicContact CE1-CB 3.81Å; F379-A381 HydrophobicContact CZ-CB 4.34Å
380	D	92.8	Very high	86.8	Confident	22 Å²	22	80 Å²	80	12%	0.118	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.3	175.5	-166.2	10	0	0	0	110.8	K351 Y353 V365 G366 I378 K382	K351-D380 IonicContact NZ-OD2 3.49Å; K351-D380 PolarHBondContact NZ-OD2 2.83Å; Y353-D380 HydrophobicContact CE1-CB 4.09Å; Y353-D380 PolarHBondContact OH-OD2 3.36Å; V365-D380 WeakPolarHBondContact CA-O 3.4Å; G366-D380 PolarHBondContact N-O 2.85Å; G366-D380 PolarHBondContact O-N 3.38Å; I378-D380 PolarHBondContact O-N 3.24Å; D380-K382 VanDerWaalsContact OD1-CE 3.29Å; D380-K382 WeakPolarHBondContact OD1-CE 3.41Å; D380-K382 IonicContact OD1-NZ 2.67Å; D380-K382 PolarHBondContact OD1-NZ 3.07Å; D380-K382 VanDerWaalsContact OD2-CE 3.23Å; D380-K382 WeakPolarHBondContact OD2-CE 3.43Å; D380-K382 IonicContact OD2-NZ 3.7Å; D380-K382 PolarHBondContact OD2-NZ 2.78Å
381	A	89.4	Confident	85.4	Confident	9 Å²	9	75.4 Å²	75.4	7%	0.074	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	116.2	-172.1	0	0	0	0	0	109.3	V365 F379 I384 V387	V365-A381 HydrophobicContact CG2-CB 4.27Å; F379-A381 HydrophobicContact CD1-CB 4.46Å; F379-A381 HydrophobicContact CE1-CB 3.81Å; F379-A381 HydrophobicContact CZ-CB 4.34Å; A381-I384 HydrophobicContact CB-CD1 3.77Å; A381-I384 HydrophobicContact CB-CG1 3.75Å; A381-V387 HydrophobicContact CB-CG1 3.88Å; A381-V387 WeakPolarHBondContact O-CG1 3.31Å
382	K	89.8	Confident	83.9	Confident	80 Å²	80	78.8 Å²	78.8	35%	0.348	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.1	178	-56.6	-52.5	-171.3	-144.9	0	110.2	K362 R363 Y364 D380 I384	K362-K382 CarbonylContact O-C 3.44Å; R363-K382 WeakPolarHBondContact CA-O 3.45Å; Y364-K382 HydrophobicContact CD1-CB 4.42Å; Y364-K382 HydrophobicContact CD2-CB 3.99Å; Y364-K382 HydrophobicContact CD2-CG 3.94Å; Y364-K382 HydrophobicContact CE1-CB 4.09Å; Y364-K382 HydrophobicContact CE1-CG 4.39Å; Y364-K382 HydrophobicContact CE2-CB 3.63Å; Y364-K382 HydrophobicContact CE2-CG 3.22Å; Y364-K382 HydrophobicContact CG-CB 4.37Å; Y364-K382 PolarHBondContact N-O 3.09Å; Y364-K382 VanDerWaalsContact N-O 3.11Å; Y364-K382 PolarHBondContact O-N 2.78Å; D380-K382 VanDerWaalsContact OD1-CE 3.29Å; D380-K382 WeakPolarHBondContact OD1-CE 3.41Å; D380-K382 IonicContact OD1-NZ 2.67Å; D380-K382 PolarHBondContact OD1-NZ 3.07Å; D380-K382 VanDerWaalsContact OD2-CE 3.23Å; D380-K382 WeakPolarHBondContact OD2-CE 3.43Å; D380-K382 IonicContact OD2-NZ 3.7Å; D380-K382 PolarHBondContact OD2-NZ 2.78Å; K382-I384 PolarHBondContact O-N 2.84Å
383	G	84.8	Confident	82.1	Confident	25 Å²	25	85.6 Å²	85.6	26%	0.258	41%	0.405	S	S	.	.	S	Bend	trans	67	-12.4	175	0	0	0	0	0	117.1	K362 R363 R388	K362-G383 WeakPolarHBondContact O-CA 3.22Å; R363-G383 PolarHBondContact NH1-O 3.48Å; G383-R388 WeakPolarHBondContact O-CD 3.26Å
384	I	83.1	Confident	79.6	Confident	24 Å²	24	84.5 Å²	84.5	12%	0.123	39%	0.394	C	S	.	.	S	Bend	trans	-74.5	164.8	176.7	64.5	151.7	0	0	0	112.6	V365 A381 K382 T386 V387 R388	V365-I384 HydrophobicContact CB-CD1 3.78Å; V365-I384 HydrophobicContact CG1-CD1 4.29Å; V365-I384 HydrophobicContact CG2-CD1 3.8Å; A381-I384 HydrophobicContact CB-CD1 3.77Å; A381-I384 HydrophobicContact CB-CG1 3.75Å; K382-I384 PolarHBondContact O-N 2.84Å; I384-T386 HydrophobicContact CD1-CG2 4.16Å; I384-T386 VanDerWaalsContact CD1-OG1 3.22Å; I384-T386 WeakPolarHBondContact CD1-OG1 3.31Å; I384-T386 WeakPolarHBondContact CG1-OG1 3.03Å; I384-T386 PolarHBondContact O-N 3.26Å; I384-V387 VanDerWaalsContact O-CG2 3.28Å; I384-V387 WeakPolarHBondContact O-CG2 3.42Å; I384-V387 PolarHBondContact O-N 3.02Å; I384-V387 VanDerWaalsContact O-N 3.12Å; I384-R388 WeakPolarHBondContact O-CG 3.39Å; I384-R388 PolarHBondContact O-N 2.95Å
385	E	79.2	Confident	76.9	Confident	33 Å²	33	86.1 Å²	86.1	15%	0.154	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.4	-167.7	-78.1	65.1	-122.4	0	0	115.5	R363 T391 A454 R457	R363-E385 IonicContact CZ-OE1 3.64Å; R363-E385 IonicContact NH1-OE1 2.7Å; R363-E385 PolarHBondContact NH1-OE1 2.99Å; R363-E385 IonicContact NH1-OE2 3.72Å; R363-E385 IonicContact NH2-OE1 3.66Å; E385-T391 HydrophobicContact CB-CG2 3.84Å; E385-T391 HydrophobicContact CG-CG2 3.57Å; E385-T391 PolarHBondContact O-OG1 3.17Å; E385-A454 HydrophobicContact CB-CB 4.42Å; E385-A454 HydrophobicContact CG-CB 4.1Å; E385-R457 IonicContact OE1-CZ 2.69Å; E385-R457 IonicContact OE1-NE 3.45Å; E385-R457 IonicContact OE1-NH2 3.58Å; E385-R457 PolarHBondContact OE1-NH2 3.25Å; E385-R457 IonicContact OE2-CZ 3.93Å; E385-R457 VanDerWaalsContact OE2-CZ 3.28Å; E385-R457 IonicContact OE2-NE 3.36Å; E385-R457 PolarHBondContact OE2-NE 3.16Å; E385-R457 IonicContact OE2-NH2 3.79Å; E385-R457 PolarHBondContact OE2-NH2 2.8Å
386	T	74.8	Confident	74.3	Confident	82 Å²	82	78.5 Å²	78.5	50%	0.503	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-24.8	176.1	56.3	0	0	0	0	114	I384	I384-T386 HydrophobicContact CD1-CG2 4.16Å; I384-T386 VanDerWaalsContact CD1-OG1 3.22Å; I384-T386 WeakPolarHBondContact CD1-OG1 3.31Å; I384-T386 WeakPolarHBondContact CG1-OG1 3.03Å; I384-T386 PolarHBondContact O-N 3.26Å
387	V	74.1	Confident	71.9	Confident	79 Å²	79	72.5 Å²	72.5	48%	0.479	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-11.7	-179.8	-64.3	0	0	0	0	113.4	A381 I384	A381-V387 HydrophobicContact CB-CG1 3.88Å; A381-V387 WeakPolarHBondContact O-CG1 3.31Å; I384-V387 VanDerWaalsContact O-CG2 3.28Å; I384-V387 WeakPolarHBondContact O-CG2 3.42Å; I384-V387 PolarHBondContact O-N 3.02Å; I384-V387 VanDerWaalsContact O-N 3.12Å
388	R	72.3	Confident	69.4	Low	94 Å²	94	71 Å²	71	36%	0.355	34%	0.343	S	S	.	.			trans	-75.5	157.2	174	-60.7	179	68.4	91.1	-0.9	110.8	G383 I384 D390	G383-R388 WeakPolarHBondContact O-CD 3.26Å; I384-R388 WeakPolarHBondContact O-CG 3.39Å; I384-R388 PolarHBondContact O-N 2.95Å; R388-D390 WeakPolarHBondContact CB-OD1 3.31Å; R388-D390 IonicContact CZ-OD1 2.74Å; R388-D390 IonicContact CZ-OD2 2.92Å; R388-D390 IonicContact NE-OD1 2.64Å; R388-D390 PolarHBondContact NE-OD1 3.09Å; R388-D390 IonicContact NE-OD2 3.13Å; R388-D390 PolarHBondContact NE-OD2 3Å; R388-D390 IonicContact NH2-OD1 2.67Å; R388-D390 IonicContact NH2-OD2 2.65Å; R388-D390 PolarHBondContact NH2-OD2 3.32Å
389	R	70.3	Confident	66.9	Low	146 Å²	146	68.1 Å²	68.1	55%	0.551	33%	0.328	S	S	*	.	S	Bend	trans	-120.4	24.3	-179	-53.8	-178.4	-174.4	179.5	-2.3	112.5	R409	R389-R409 PolarHBondContact O-NH1 3.31Å
390	D	70	Confident	64.5	Low	92 Å²	92	66.6 Å²	66.6	49%	0.492	32%	0.319	S	S	.	.	S	Bend	trans	-117.7	-10.2	177.9	64.9	-28.1	0	0	0	112.9	R388	R388-D390 WeakPolarHBondContact CB-OD1 3.31Å; R388-D390 IonicContact CZ-OD1 2.74Å; R388-D390 IonicContact CZ-OD2 2.92Å; R388-D390 IonicContact NE-OD1 2.64Å; R388-D390 PolarHBondContact NE-OD1 3.09Å; R388-D390 IonicContact NE-OD2 3.13Å; R388-D390 PolarHBondContact NE-OD2 3Å; R388-D390 IonicContact NH2-OD1 2.67Å; R388-D390 IonicContact NH2-OD2 2.65Å; R388-D390 PolarHBondContact NH2-OD2 3.32Å
391	T	65	Low	62.3	Low	34 Å²	34	70.3 Å²	70.3	21%	0.209	33%	0.334	C	S	.	.	S	Bend	trans	-75.7	167.7	169	43.8	0	0	0	0	111.5	E385 Y393	E385-T391 HydrophobicContact CB-CG2 3.84Å; E385-T391 HydrophobicContact CG-CG2 3.57Å; E385-T391 PolarHBondContact O-OG1 3.17Å; T391-Y393 PolarHBondContact O-N 3.1Å
392	F	62.9	Low	60.9	Low	120 Å²	120	72 Å²	72	53%	0.526	35%	0.353	S	S	.	.	S	Bend	trans	-60.5	104.8	163	125.2	-93.2	0	0	0	108.8	Y446 L451	F392-Y446 HydrophobicContact CB-CD1 4.41Å; F392-L451 HydrophobicContact CD1-CD2 4.43Å; F392-L451 HydrophobicContact CE1-CD2 4.01Å
393	Y	56.3	Low	59.7	Low	172 Å²	172	76.3 Å²	76.3	68%	0.675	38%	0.379	S	S	*	.			trans	-122.7	155.8	155.6	-142	-98.4	0	0	0	104.9	T391 C395	T391-Y393 PolarHBondContact O-N 3.1Å; Y393-C395 PolarHBondContact O-N 2.83Å
394	F	43.5	Very low	58.9	Low	121 Å²	121	78.3 Å²	78.3	53%	0.531	39%	0.387	S	S	.	.			trans	-74.2	71.6	168.6	-130.8	-77.3	0	0	0	108.5	Q396 F542	F394-Q396 PolarHBondContact O-N 2.8Å; F394-F542 AromaticContact CE1-CD2 3.57Å; F394-F542 HydrophobicContact CE1-CD2 3.57Å; F394-F542 AromaticContact CE1-CE2 3.52Å; F394-F542 HydrophobicContact CE1-CE2 3.52Å; F394-F542 HydrophobicContact CE1-CG 4.28Å; F394-F542 HydrophobicContact CE1-CZ 4.21Å; F394-F542 HydrophobicContact CZ-CB 4.42Å; F394-F542 HydrophobicContact CZ-CD1 4.35Å; F394-F542 AromaticContact CZ-CD2 3.66Å; F394-F542 HydrophobicContact CZ-CD2 3.66Å; F394-F542 AromaticContact CZ-CE2 3.9Å; F394-F542 HydrophobicContact CZ-CE2 3.9Å; F394-F542 AromaticContact CZ-CG 3.89Å; F394-F542 HydrophobicContact CZ-CG 3.89Å; F394-F542 HydrophobicContact CZ-CZ 4.34Å
395	C	36.3	Very low	58.4	Low	69 Å²	69	85.2 Å²	85.2	47%	0.466	41%	0.411	S	S	.	.			trans	-81.8	78.8	-174.3	-142.8	0	0	0	0	108	Y393 R397	Y393-C395 PolarHBondContact O-N 2.83Å; C395-R397 PolarHBondContact O-N 3.49Å
396	Q	37.9	Very low	58.4	Low	61 Å²	61	92.4 Å²	92.4	29%	0.285	45%	0.449	S	S	.	.			trans	-48.8	116.2	179.7	-67.9	157.9	22.4	0	0	110.1	F394 D537	F394-Q396 PolarHBondContact O-N 2.8Å; Q396-D537 WeakPolarHBondContact CA-OD1 3.45Å; Q396-D537 HydrophobicContact CB-CB 3.92Å; Q396-D537 WeakPolarHBondContact CB-OD1 3.38Å; Q396-D537 HydrophobicContact CG-CB 4.35Å; Q396-D537 VanDerWaalsContact CG-O 3.27Å; Q396-D537 WeakPolarHBondContact CG-O 3.5Å; Q396-D537 PolarHBondContact OE1-O 3.3Å; Q396-D537 VanDerWaalsContact OE1-O 3.09Å
397	R	44.7	Very low	58.2	Low	30 Å²	30	92.3 Å²	92.3	11%	0.113	47%	0.465	C	S	.	.			trans	-145.1	116.3	166.5	-73	-171	62.9	125	-6.5	110	C395 Q399 R409 P411 D537	C395-R397 PolarHBondContact O-N 3.49Å; R397-Q399 PolarHBondContact O-N 2.99Å; R397-R409 WeakPolarHBondContact CD-O 3.36Å; R397-R409 PolarHBondContact NE-O 3.46Å; R397-R409 PolarHBondContact NH2-O 2.57Å; R397-P411 HydrophobicContact CB-CB 4.47Å; R397-P411 HydrophobicContact CB-CG 4.17Å; R397-D537 VanDerWaalsContact CA-OD1 3.26Å; R397-D537 WeakPolarHBondContact CA-OD1 3.33Å; R397-D537 PolarHBondContact N-OD1 3.39Å
398	V	42.1	Very low	58	Low	8 Å²	8	90.8 Å²	90.8	5%	0.048	45%	0.452	C	S	.	.			trans	-75.7	90.7	166.7	163.7	0	0	0	0	111.4	M18 I536 D537	M18-V398 HydrophobicContact CB-CG1 3.31Å; M18-V398 HydrophobicContact CG-CG1 3.44Å; M18-V398 VanDerWaalsContact CG-CG1 3.44Å; M18-V398 HydrophobicContact SD-CG1 3.69Å; V398-I536 HydrophobicContact CB-CG1 4.43Å; V398-I536 HydrophobicContact CG2-CD1 4.38Å; V398-I536 HydrophobicContact CG2-CG1 3.51Å; V398-D537 VanDerWaalsContact CB-OD2 3.31Å; V398-D537 WeakPolarHBondContact CB-OD2 3.33Å; V398-D537 HydrophobicContact CG2-CB 4.14Å; V398-D537 WeakPolarHBondContact CG2-OD2 3.2Å; V398-D537 PolarHBondContact N-OD1 3.38Å; V398-D537 VanDerWaalsContact N-OD1 3.1Å; V398-D537 PolarHBondContact N-OD2 2.88Å; V398-D537 VanDerWaalsContact N-OD2 3.07Å
399	Q	41.8	Very low	57.8	Low	21 Å²	21	91.7 Å²	91.7	10%	0.098	46%	0.456	C	S	.	.			trans	52.6	-143.6	168.1	179	164.6	10.3	0	0	116.1	R397 P411 E429	R397-Q399 PolarHBondContact O-N 2.99Å; Q399-P411 HydrophobicContact CB-CG 4.26Å; Q399-E429 VanDerWaalsContact CD-OE2 3.24Å; Q399-E429 PolarHBondContact NE2-OE1 3.03Å; Q399-E429 PolarHBondContact NE2-OE2 3.24Å; Q399-E429 VanDerWaalsContact OE1-CG 3.31Å; Q399-E429 PolarHBondContact OE1-OE2 2.88Å
400	R	43.7	Very low	58.1	Low	76 Å²	76	87.4 Å²	87.4	29%	0.287	45%	0.446	S	S	.	.			cis	-93.2	167.4	29.4	-61.8	164	168.8	143.1	-7.8	117.7	E15 M18 G402 E408	E15-R400 VanDerWaalsContact CD-NE 3.28Å; E15-R400 IonicContact OE1-CZ 3.37Å; E15-R400 IonicContact OE1-NE 3.28Å; E15-R400 PolarHBondContact OE1-NE 3.18Å; E15-R400 IonicContact OE1-NH1 2.69Å; E15-R400 IonicContact OE1-NH2 2.75Å; E15-R400 PolarHBondContact OE1-NH2 3.18Å; E15-R400 IonicContact OE2-CZ 3.99Å; E15-R400 IonicContact OE2-NE 3.34Å; E15-R400 PolarHBondContact OE2-NE 3.24Å; E15-R400 IonicContact OE2-NH2 3.22Å; E15-R400 PolarHBondContact OE2-NH2 2.76Å; M18-R400 VanDerWaalsContact SD-CA 3.6Å; R400-G402 PolarHBondContact O-N 2.69Å; R400-E408 IonicContact CZ-OE1 3.75Å; R400-E408 IonicContact NH1-OE1 2.67Å; R400-E408 PolarHBondContact NH1-OE1 3.27Å
401	K	47.2	Very low	58.4	Low	100 Å²	100	84 Å²	84	44%	0.435	43%	0.429	S	S	.	.	S	Bend	trans	-82.2	26.2	167.7	-92.7	-176.8	177.3	-173.2	0	115.3	M18 Y23	M18-K401 HydrophobicContact CE-CB 3.87Å; M18-K401 HydrophobicContact CE-CD 4.26Å; M18-K401 HydrophobicContact CE-CG 3.93Å; Y23-K401 WeakPolarHBondContact OH-CD 3.29Å
402	G	58.8	Low	59.3	Low	46 Å²	46	88.6 Å²	88.6	47%	0.474	44%	0.443	S	S	.	.	S	Bend	trans	-115.5	171	163.1	0	0	0	0	0	108.8	R400	R400-G402 PolarHBondContact O-N 2.69Å
403	L	64.1	Low	60.5	Low	170 Å²	170	84 Å²	84	89%	0.89	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-54	130.5	170.1	-71	168.2	0	0	0	109.4	R405	L403-R405 PolarHBondContact O-N 3.28Å
404	P	69.9	Low	62.2	Low	67 Å²	67	76 Å²	76	44%	0.435	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-62	138.2	-179.7	26.2	-34.3	0	0	0	109.8	E408 V410	P404-E408 WeakPolarHBondContact CA-OE2 3.17Å; P404-V410 HydrophobicContact CB-CG2 3.72Å; P404-V410 HydrophobicContact CG-CG2 3.84Å
405	R	72	Confident	64.6	Low	168 Å²	168	70.3 Å²	70.3	63%	0.634	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-74.7	154.5	178	-54.3	-178.7	-179.6	-171.6	0.7	110.1	L403 G407 E408	L403-R405 PolarHBondContact O-N 3.28Å; R405-G407 PolarHBondContact O-N 3.34Å; R405-E408 HydrophobicContact CB-CG 3.98Å; R405-E408 WeakPolarHBondContact CD-OE1 3.45Å; R405-E408 WeakPolarHBondContact CG-OE1 3.07Å; R405-E408 PolarHBondContact N-OE2 3.34Å; R405-E408 WeakPolarHBondContact O-CB 3.06Å; R405-E408 PolarHBondContact O-N 3.3Å
406	I	78.8	Confident	67.3	Low	184 Å²	184	70.5 Å²	70.5	94%	0.944	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	123.9	174.7	-62	172.6	0	0	0	109.3
407	G	71.5	Confident	69.7	Low	81 Å²	81	69.7 Å²	69.7	84%	0.835	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-7	-177.8	0	0	0	0	0	115.5	R405	R405-G407 PolarHBondContact O-N 3.34Å
408	E	68.8	Low	71.8	Confident	46 Å²	46	75.9 Å²	75.9	22%	0.215	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-72.2	145.5	169.6	-69.6	176.8	174.2	0	0	110.8	R400 P404 R405	R400-E408 IonicContact CZ-OE1 3.75Å; R400-E408 IonicContact NH1-OE1 2.67Å; R400-E408 PolarHBondContact NH1-OE1 3.27Å; P404-E408 WeakPolarHBondContact CA-OE2 3.17Å; R405-E408 HydrophobicContact CB-CG 3.98Å; R405-E408 WeakPolarHBondContact CD-OE1 3.45Å; R405-E408 WeakPolarHBondContact CG-OE1 3.07Å; R405-E408 PolarHBondContact N-OE2 3.34Å; R405-E408 WeakPolarHBondContact O-CB 3.06Å; R405-E408 PolarHBondContact O-N 3.3Å
409	R	68.8	Low	73.9	Confident	113 Å²	113	81.6 Å²	81.6	43%	0.426	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-89.9	131.8	171.5	-65.5	171.4	163	-108.8	-6.5	108.8	R389 R397	R389-R409 PolarHBondContact O-NH1 3.31Å; R397-R409 WeakPolarHBondContact CD-O 3.36Å; R397-R409 PolarHBondContact NE-O 3.46Å; R397-R409 PolarHBondContact NH2-O 2.57Å
410	V	75.8	Confident	76	Confident	56 Å²	56	92.7 Å²	92.7	34%	0.339	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-101.1	123	175.4	-179.3	0	0	0	0	108.7	P404 E429	P404-V410 HydrophobicContact CB-CG2 3.72Å; P404-V410 HydrophobicContact CG-CG2 3.84Å; V410-E429 WeakPolarHBondContact CG1-OE1 3.34Å
411	P	75.7	Confident	78.2	Confident	21 Å²	21	91.4 Å²	91.4	14%	0.136	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-75	141.3	173.5	34	-37	0	0	0	110.4	R397 Q399 P430	R397-P411 HydrophobicContact CB-CB 4.47Å; R397-P411 HydrophobicContact CB-CG 4.17Å; Q399-P411 HydrophobicContact CB-CG 4.26Å; P411-P430 HydrophobicContact CB-CG 4.07Å; P411-P430 HydrophobicContact CG-CG 4.39Å; P411-P430 WeakPolarHBondContact O-CD 3.33Å
412	Y	84.9	Confident	80.3	Confident	130 Å²	130	90.5 Å²	90.5	51%	0.51	49%	0.492	S	S	.	.			trans	-150.7	162	178.5	68.8	-88	0	0	0	112	I414 V427	Y412-I414 HydrophobicContact CD2-CD1 4.08Å; Y412-I414 HydrophobicContact CE2-CD1 4.06Å; Y412-V427 HydrophobicContact CD2-CG1 4.12Å; Y412-V427 HydrophobicContact CD2-CG2 4.49Å; Y412-V427 HydrophobicContact CG-CG1 4.18Å
413	V	88.9	Confident	81.8	Confident	25 Å²	25	92.5 Å²	92.5	15%	0.152	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.2	173.9	-67.1	0	0	0	0	110.3	R428 L433 L441 Y446	V413-R428 HydrophobicContact CG2-CB 4.36Å; V413-R428 WeakPolarHBondContact CG2-O 3.49Å; V413-R428 PolarHBondContact N-O 2.95Å; V413-R428 PolarHBondContact O-N 2.88Å; V413-R428 VanDerWaalsContact O-O 3.11Å; V413-L433 HydrophobicContact CG2-CB 4.33Å; V413-L433 HydrophobicContact CG2-CD2 4.21Å; V413-L441 HydrophobicContact CB-CD2 3.94Å; V413-L441 HydrophobicContact CG1-CD2 4.32Å; V413-L441 HydrophobicContact CG2-CD2 4.4Å; V413-Y446 WeakPolarHBondContact CA-OH 3.17Å
414	I	91.5	Very high	83.2	Confident	3 Å²	3	91 Å²	91	2%	0.015	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119	173.2	-54.4	-55.1	0	0	0	109.8	Y412 L423 C426 V427 N442 Y445 Y446	Y412-I414 HydrophobicContact CD2-CD1 4.08Å; Y412-I414 HydrophobicContact CE2-CD1 4.06Å; I414-L423 HydrophobicContact CB-CD1 4.5Å; I414-L423 HydrophobicContact CD1-CD1 3.86Å; I414-L423 HydrophobicContact CD1-CG 4.31Å; I414-L423 HydrophobicContact CG1-CD1 4Å; I414-L423 HydrophobicContact CG2-CD1 3.67Å; I414-C426 HydrophobicContact CG2-CB 4.06Å; I414-V427 HydrophobicContact CD1-CB 4.45Å; I414-V427 HydrophobicContact CD1-CG2 3.65Å; I414-N442 HydrophobicContact CG2-CB 4.15Å; I414-N442 PolarHBondContact O-N 3.26Å; I414-Y445 HydrophobicContact CB-CD1 3.79Å; I414-Y445 HydrophobicContact CB-CE1 3.97Å; I414-Y445 HydrophobicContact CB-CG 4.4Å; I414-Y445 HydrophobicContact CG1-CD1 3.91Å; I414-Y445 HydrophobicContact CG1-CE1 3.52Å; I414-Y445 HydrophobicContact CG2-CD1 3.92Å; I414-Y445 HydrophobicContact CG2-CD2 4.47Å; I414-Y445 HydrophobicContact CG2-CE1 4.36Å; I414-Y445 HydrophobicContact CG2-CG 4.01Å; I414-Y446 HydrophobicContact CB-CE2 4.38Å; I414-Y446 PolarHBondContact N-OH 3.27Å
415	V	93.3	Very high	84.3	Confident	2 Å²	2	90.6 Å²	90.6	1%	0.012	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-96.3	165.6	175.8	-60.9	0	0	0	0	111.3	G417 C426 R428 L433 L439 K440	V415-G417 PolarHBondContact O-N 2.85Å; V415-C426 WeakPolarHBondContact CG2-O 3.24Å; V415-C426 PolarHBondContact N-O 2.73Å; V415-R428 HydrophobicContact CB-CG 4.46Å; V415-R428 HydrophobicContact CG1-CB 4.03Å; V415-R428 HydrophobicContact CG1-CG 3.96Å; V415-R428 HydrophobicContact CG2-CB 4.48Å; V415-R428 HydrophobicContact CG2-CG 3.63Å; V415-L433 HydrophobicContact CG1-CD1 4.22Å; V415-L439 HydrophobicContact CG1-CB 4.22Å; V415-L439 HydrophobicContact CG2-CD2 4.32Å; V415-K440 CarbonylContact C-O 3.6Å; V415-K440 WeakPolarHBondContact CA-O 3.46Å; V415-K440 WeakPolarHBondContact CB-O 3.31Å
416	C	92.6	Very high	85.3	Confident	73 Å²	73	83 Å²	83	49%	0.493	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-63.1	131.4	167.8	-64	0	0	0	0	109.6	K440	C416-K440 PolarHBondContact N-O 3.07Å
417	G	89.3	Confident	85.9	Confident	44 Å²	44	76.6 Å²	76.6	45%	0.454	42%	0.424	S	S	.	.			trans	-120.8	176.2	172.3	0	0	0	0	0	111	V415	V415-G417 PolarHBondContact O-N 2.85Å
418	E	89.1	Confident	86.8	Confident	160 Å²	160	76.5 Å²	76.5	75%	0.748	40%	0.398	S	S	*	.			trans	-60.9	154.4	175.9	-67.8	174.6	-173	0	0	112	R420 S421	E418-R420 PolarHBondContact O-N 3.36Å; E418-S421 WeakPolarHBondContact O-CB 3.37Å; E418-S421 PolarHBondContact O-N 2.7Å; E418-S421 PolarHBondContact O-OG 3.37Å
419	P	85.4	Confident	87.5	Confident	127 Å²	127	77 Å²	77	83%	0.825	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	133	171.9	-25.5	35	0	0	0	111.5	S421	P419-S421 PolarHBondContact O-N 2.95Å
420	R	86	Confident	88.1	Confident	254 Å²	254	72.4 Å²	72.4	96%	0.958	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	5.7	-174.5	-47.9	176.1	177.8	174.5	-1	116.3	E418	E418-R420 PolarHBondContact O-N 3.36Å
421	S	89.3	Confident	88.1	Confident	50 Å²	50	72.7 Å²	72.7	35%	0.35	38%	0.38	S	S	.	.			trans	-58	147.5	168.7	58	0	0	0	0	111.7	E418 P419 C426	E418-S421 WeakPolarHBondContact O-CB 3.37Å; E418-S421 PolarHBondContact O-N 2.7Å; E418-S421 PolarHBondContact O-OG 3.37Å; P419-S421 PolarHBondContact O-N 2.95Å; S421-C426 PolarHBondContact OG-SG 2.91Å
422	T	92.3	Very high	88.5	Confident	80 Å²	80	74.8 Å²	74.8	49%	0.491	39%	0.389	S	S	.	.			trans	-75.7	153.1	177.4	65.6	0	0	0	0	110.7	I424 S425 C426	T422-I424 PolarHBondContact O-N 3.31Å; T422-I424 VanDerWaalsContact OG1-CG2 3.3Å; T422-I424 WeakPolarHBondContact OG1-CG2 3.43Å; T422-S425 PolarHBondContact N-OG 3.26Å; T422-S425 VanDerWaalsContact N-OG 3.13Å; T422-S425 PolarHBondContact O-N 3.09Å; T422-S425 VanDerWaalsContact O-N 3.17Å; T422-S425 PolarHBondContact O-OG 3.05Å; T422-S425 WeakPolarHBondContact OG1-CB 3.45Å; T422-S425 PolarHBondContact OG1-N 3.03Å; T422-S425 VanDerWaalsContact OG1-N 3.15Å; T422-S425 PolarHBondContact OG1-OG 3.08Å; T422-C426 PolarHBondContact O-N 3.41Å; T422-C426 PolarHBondContact O-SG 3.09Å
423	L	90.8	Very high	88.5	Confident	88 Å²	88	70.5 Å²	70.5	46%	0.461	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.5	176.8	-176.3	62.6	0	0	0	111.5	I414 C426 V427 Y445	I414-L423 HydrophobicContact CB-CD1 4.5Å; I414-L423 HydrophobicContact CD1-CD1 3.86Å; I414-L423 HydrophobicContact CD1-CG 4.31Å; I414-L423 HydrophobicContact CG1-CD1 4Å; I414-L423 HydrophobicContact CG2-CD1 3.67Å; L423-C426 CarbonylContact O-C 3.59Å; L423-C426 WeakPolarHBondContact O-CB 3.07Å; L423-C426 PolarHBondContact O-N 2.84Å; L423-C426 VanDerWaalsContact O-N 3.13Å; L423-V427 PolarHBondContact O-N 3.18Å; L423-Y445 HydrophobicContact CD1-CD2 3.72Å; L423-Y445 HydrophobicContact CD1-CE2 3.41Å; L423-Y445 VanDerWaalsContact CD1-CE2 3.41Å; L423-Y445 HydrophobicContact CD1-CG 4.48Å; L423-Y445 HydrophobicContact CD2-CE2 3.74Å; L423-Y445 HydrophobicContact CG-CE2 4.25Å
424	I	92.5	Very high	88.1	Confident	139 Å²	139	71.5 Å²	71.5	71%	0.713	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-65.7	-37.1	178.2	-169.7	167.8	0	0	0	112.5	T422 C426 V427	T422-I424 PolarHBondContact O-N 3.31Å; T422-I424 VanDerWaalsContact OG1-CG2 3.3Å; T422-I424 WeakPolarHBondContact OG1-CG2 3.43Å; I424-C426 PolarHBondContact O-N 3.34Å; I424-V427 WeakPolarHBondContact O-CB 3.47Å; I424-V427 PolarHBondContact O-N 3.28Å; I424-V427 VanDerWaalsContact O-N 3.15Å
425	S	92.8	Very high	87.6	Confident	58 Å²	58	79.6 Å²	79.6	41%	0.406	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-70	-17.7	174.2	60.1	0	0	0	0	113.3	T422 R428	T422-S425 PolarHBondContact N-OG 3.26Å; T422-S425 VanDerWaalsContact N-OG 3.13Å; T422-S425 PolarHBondContact O-N 3.09Å; T422-S425 VanDerWaalsContact O-N 3.17Å; T422-S425 PolarHBondContact O-OG 3.05Å; T422-S425 WeakPolarHBondContact OG1-CB 3.45Å; T422-S425 PolarHBondContact OG1-N 3.03Å; T422-S425 VanDerWaalsContact OG1-N 3.15Å; T422-S425 PolarHBondContact OG1-OG 3.08Å; S425-R428 PolarHBondContact O-NH1 3.14Å
426	C	92.6	Very high	87.2	Confident	8 Å²	8	82.5 Å²	82.5	5%	0.054	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-90.6	-1	173.5	-57.5	0	0	0	0	113.7	I414 V415 S421 T422 L423 I424 R428	I414-C426 HydrophobicContact CG2-CB 4.06Å; V415-C426 WeakPolarHBondContact CG2-O 3.24Å; V415-C426 PolarHBondContact N-O 2.73Å; S421-C426 PolarHBondContact OG-SG 2.91Å; T422-C426 PolarHBondContact O-N 3.41Å; T422-C426 PolarHBondContact O-SG 3.09Å; L423-C426 CarbonylContact O-C 3.59Å; L423-C426 WeakPolarHBondContact O-CB 3.07Å; L423-C426 PolarHBondContact O-N 2.84Å; L423-C426 VanDerWaalsContact O-N 3.13Å; I424-C426 PolarHBondContact O-N 3.34Å; C426-R428 PolarHBondContact O-N 2.95Å
427	V	92.2	Very high	86.8	Confident	51 Å²	51	84.5 Å²	84.5	31%	0.309	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.2	174	176.7	0	0	0	0	108.9	Y412 I414 L423 I424	Y412-V427 HydrophobicContact CD2-CG1 4.12Å; Y412-V427 HydrophobicContact CD2-CG2 4.49Å; Y412-V427 HydrophobicContact CG-CG1 4.18Å; I414-V427 HydrophobicContact CD1-CB 4.45Å; I414-V427 HydrophobicContact CD1-CG2 3.65Å; L423-V427 PolarHBondContact O-N 3.18Å; I424-V427 WeakPolarHBondContact O-CB 3.47Å; I424-V427 PolarHBondContact O-N 3.28Å; I424-V427 VanDerWaalsContact O-N 3.15Å
428	R	90	Very high	86.7	Confident	79 Å²	79	89.2 Å²	89.2	30%	0.298	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.4	168.3	-67.6	-66.5	179	-74.3	-5.3	109.7	V413 V415 S425 C426 E432 L439	V413-R428 HydrophobicContact CG2-CB 4.36Å; V413-R428 WeakPolarHBondContact CG2-O 3.49Å; V413-R428 PolarHBondContact N-O 2.95Å; V413-R428 PolarHBondContact O-N 2.88Å; V413-R428 VanDerWaalsContact O-O 3.11Å; V415-R428 HydrophobicContact CB-CG 4.46Å; V415-R428 HydrophobicContact CG1-CB 4.03Å; V415-R428 HydrophobicContact CG1-CG 3.96Å; V415-R428 HydrophobicContact CG2-CB 4.48Å; V415-R428 HydrophobicContact CG2-CG 3.63Å; S425-R428 PolarHBondContact O-NH1 3.14Å; C426-R428 PolarHBondContact O-N 2.95Å; R428-E432 WeakPolarHBondContact CD-OE2 3.3Å; R428-L439 HydrophobicContact CG-CD1 4.09Å
429	E	84.3	Confident	86.7	Confident	55 Å²	55	83 Å²	83	26%	0.257	43%	0.425	S	S	.	.			trans	-89.2	143.5	-179.5	-120.1	162.4	-133.2	0	0	109.3	Q399 V410 W431 E432	Q399-E429 VanDerWaalsContact CD-OE2 3.24Å; Q399-E429 PolarHBondContact NE2-OE1 3.03Å; Q399-E429 PolarHBondContact NE2-OE2 3.24Å; Q399-E429 VanDerWaalsContact OE1-CG 3.31Å; Q399-E429 PolarHBondContact OE1-OE2 2.88Å; V410-E429 WeakPolarHBondContact CG1-OE1 3.34Å; E429-W431 VanDerWaalsContact C-N 3.3Å; E429-W431 HydrophobicContact CB-CE3 4.04Å; E429-W431 HydrophobicContact CB-CH2 3.56Å; E429-W431 HydrophobicContact CB-CZ2 4.41Å; E429-W431 HydrophobicContact CB-CZ3 3.37Å; E429-W431 HydrophobicContact CG-CH2 4.07Å; E429-W431 HydrophobicContact CG-CZ3 3.67Å; E429-W431 PolarHBondContact O-N 3.07Å; E429-W431 WeakPolarHBondContact OE2-CH2 3.38Å; E429-W431 WeakPolarHBondContact OE2-CZ3 3.32Å; E429-E432 HydrophobicContact CB-CG 4.45Å; E429-E432 WeakPolarHBondContact CB-OE1 3.35Å; E429-E432 PolarHBondContact N-OE1 3.4Å; E429-E432 VanDerWaalsContact O-CB 3.3Å; E429-E432 WeakPolarHBondContact O-CB 3.29Å; E429-E432 PolarHBondContact O-N 3.25Å
430	P	80.6	Confident	86.8	Confident	18 Å²	18	84.1 Å²	84.1	12%	0.117	42%	0.417	C	S	.	.	H	α-helix	trans	-60.1	-29.4	-157.2	-28.6	35.4	0	0	0	116.5	P411 E432	P411-P430 HydrophobicContact CB-CG 4.07Å; P411-P430 HydrophobicContact CG-CG 4.39Å; P411-P430 WeakPolarHBondContact O-CD 3.33Å; P430-E432 VanDerWaalsContact C-N 3.35Å
431	W	76.3	Confident	87	Confident	61 Å²	61	74.2 Å²	74.2	23%	0.231	38%	0.382	C	S	.	.	H	α-helix	trans	-78.3	-19.1	177.3	87.5	82	0	0	0	112.4	E429 V434 R435	E429-W431 VanDerWaalsContact C-N 3.3Å; E429-W431 HydrophobicContact CB-CE3 4.04Å; E429-W431 HydrophobicContact CB-CH2 3.56Å; E429-W431 HydrophobicContact CB-CZ2 4.41Å; E429-W431 HydrophobicContact CB-CZ3 3.37Å; E429-W431 HydrophobicContact CG-CH2 4.07Å; E429-W431 HydrophobicContact CG-CZ3 3.67Å; E429-W431 PolarHBondContact O-N 3.07Å; E429-W431 WeakPolarHBondContact OE2-CH2 3.38Å; E429-W431 WeakPolarHBondContact OE2-CZ3 3.32Å; W431-V434 PolarHBondContact O-N 2.9Å; W431-R435 WeakPolarHBondContact O-CB 3.46Å; W431-R435 VanDerWaalsContact O-CG 3.31Å; W431-R435 WeakPolarHBondContact O-CG 3.42Å; W431-R435 PolarHBondContact O-N 2.91Å
432	E	84.5	Confident	87	Confident	66 Å²	66	73.8 Å²	73.8	31%	0.308	38%	0.376	S	S	.	.	H	α-helix	trans	-66.1	-44.2	174.1	-65	-176.5	-107.9	0	0	110.3	R428 E429 P430 V434 R435 N436 L439	R428-E432 WeakPolarHBondContact CD-OE2 3.3Å; E429-E432 HydrophobicContact CB-CG 4.45Å; E429-E432 WeakPolarHBondContact CB-OE1 3.35Å; E429-E432 PolarHBondContact N-OE1 3.4Å; E429-E432 VanDerWaalsContact O-CB 3.3Å; E429-E432 WeakPolarHBondContact O-CB 3.29Å; E429-E432 PolarHBondContact O-N 3.25Å; P430-E432 VanDerWaalsContact C-N 3.35Å; E432-V434 VanDerWaalsContact C-N 3.29Å; E432-V434 PolarHBondContact O-N 3.29Å; E432-R435 PolarHBondContact O-N 3.47Å; E432-R435 VanDerWaalsContact O-N 3.17Å; E432-N436 WeakPolarHBondContact O-CB 3.37Å; E432-N436 PolarHBondContact O-N 2.87Å; E432-L439 HydrophobicContact CB-CD1 4.3Å
433	L	84.6	Confident	86.8	Confident	39 Å²	39	77.5 Å²	77.5	20%	0.204	38%	0.382	C	S	.	.	H	α-helix	trans	-56.2	-44.1	172.8	177.4	67.6	0	0	0	111.3	V413 V415 R435 L439 L441	V413-L433 HydrophobicContact CG2-CB 4.33Å; V413-L433 HydrophobicContact CG2-CD2 4.21Å; V415-L433 HydrophobicContact CG1-CD1 4.22Å; L433-R435 VanDerWaalsContact C-N 3.34Å; L433-R435 PolarHBondContact O-N 3.18Å; L433-L439 HydrophobicContact CD1-CB 3.87Å; L433-L439 WeakPolarHBondContact CD1-O 3.33Å; L433-L441 HydrophobicContact CD1-CG 4.47Å; L433-L441 HydrophobicContact CD2-CD1 4.2Å; L433-L441 HydrophobicContact CD2-CD2 3.62Å; L433-L441 HydrophobicContact CD2-CG 3.74Å
434	V	80.1	Confident	86.7	Confident	47 Å²	47	77.6 Å²	77.6	29%	0.285	39%	0.387	S	S	.	.	H	α-helix	trans	-68.6	-30.4	178.8	173.4	0	0	0	0	112.9	W431 E432 Y541 F542 L545	W431-V434 PolarHBondContact O-N 2.9Å; E432-V434 VanDerWaalsContact C-N 3.29Å; E432-V434 PolarHBondContact O-N 3.29Å; V434-Y541 HydrophobicContact CG1-CE1 4.33Å; V434-Y541 WeakPolarHBondContact CG1-OH 3.38Å; V434-F542 HydrophobicContact CG2-CD1 4.17Å; V434-F542 HydrophobicContact CG2-CE1 3.67Å; V434-L545 HydrophobicContact CB-CD1 4.43Å; V434-L545 HydrophobicContact CG1-CD1 3.58Å; V434-L545 HydrophobicContact CG2-CD1 3.97Å
435	R	81	Confident	86.6	Confident	172 Å²	172	72.6 Å²	72.6	65%	0.649	36%	0.359	S	S	*	.	H	α-helix	trans	-89.1	-26.3	-178	-75.8	-175.2	-179.6	-148.8	-16.3	114.5	W431 E432 L433 P437	W431-R435 WeakPolarHBondContact O-CB 3.46Å; W431-R435 VanDerWaalsContact O-CG 3.31Å; W431-R435 WeakPolarHBondContact O-CG 3.42Å; W431-R435 PolarHBondContact O-N 2.91Å; E432-R435 PolarHBondContact O-N 3.47Å; E432-R435 VanDerWaalsContact O-N 3.17Å; L433-R435 VanDerWaalsContact C-N 3.34Å; L433-R435 PolarHBondContact O-N 3.18Å; R435-P437 WeakPolarHBondContact O-CD 3.37Å
436	N	85.5	Confident	86.4	Confident	64 Å²	64	72.1 Å²	72.1	34%	0.342	35%	0.349	S	S	.	.			trans	-112.5	99.5	-173.3	-175	-5.7	0	0	0	110	E432 N438 L439	E432-N436 WeakPolarHBondContact O-CB 3.37Å; E432-N436 PolarHBondContact O-N 2.87Å; N436-N438 PolarHBondContact O-N 3.1Å; N436-N438 WeakPolarHBondContact OD1-CB 3.45Å; N436-N438 PolarHBondContact OD1-N 2.9Å; N436-L439 HydrophobicContact CB-CD1 3.92Å; N436-L439 HydrophobicContact CB-CG 3.93Å; N436-L439 WeakPolarHBondContact O-CB 3.3Å; N436-L439 PolarHBondContact O-N 2.84Å
437	P	82.8	Confident	86.1	Confident	114 Å²	114	73.5 Å²	73.5	74%	0.74	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.9	-176.9	27.5	-35.7	0	0	0	113.9	R435 L439	R435-P437 WeakPolarHBondContact O-CD 3.37Å; P437-L439 VanDerWaalsContact C-N 3.32Å
438	N	87.2	Confident	85.9	Confident	143 Å²	143	73 Å²	73	77%	0.765	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.9	173.9	-59.3	-41.6	0	0	0	112.8	N436	N436-N438 PolarHBondContact O-N 3.1Å; N436-N438 WeakPolarHBondContact OD1-CB 3.45Å; N436-N438 PolarHBondContact OD1-N 2.9Å
439	L	89	Confident	85.8	Confident	31 Å²	31	77.7 Å²	77.7	16%	0.162	37%	0.371	C	S	.	.			trans	-84	125.3	176.7	-62.8	-178.3	0	0	0	110.3	V415 R428 E432 L433 N436 P437	V415-L439 HydrophobicContact CG1-CB 4.22Å; V415-L439 HydrophobicContact CG2-CD2 4.32Å; R428-L439 HydrophobicContact CG-CD1 4.09Å; E432-L439 HydrophobicContact CB-CD1 4.3Å; L433-L439 HydrophobicContact CD1-CB 3.87Å; L433-L439 WeakPolarHBondContact CD1-O 3.33Å; N436-L439 HydrophobicContact CB-CD1 3.92Å; N436-L439 HydrophobicContact CB-CG 3.93Å; N436-L439 WeakPolarHBondContact O-CB 3.3Å; N436-L439 PolarHBondContact O-N 2.84Å; P437-L439 VanDerWaalsContact C-N 3.32Å
440	K	89	Confident	85.8	Confident	149 Å²	149	77.4 Å²	77.4	65%	0.648	37%	0.37	S	S	*	.			trans	-118.2	142.4	173.3	-63.7	-174.9	179.9	-178.3	0	109.7	V415 C416	V415-K440 CarbonylContact C-O 3.6Å; V415-K440 WeakPolarHBondContact CA-O 3.46Å; V415-K440 WeakPolarHBondContact CB-O 3.31Å; C416-K440 PolarHBondContact N-O 3.07Å
441	L	89.2	Confident	86	Confident	46 Å²	46	80 Å²	80	24%	0.241	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-63.3	139.4	174.2	-74	170.4	0	0	0	110.8	V413 L433 Y443 Y446	V413-L441 HydrophobicContact CB-CD2 3.94Å; V413-L441 HydrophobicContact CG1-CD2 4.32Å; V413-L441 HydrophobicContact CG2-CD2 4.4Å; L433-L441 HydrophobicContact CD1-CG 4.47Å; L433-L441 HydrophobicContact CD2-CD1 4.2Å; L433-L441 HydrophobicContact CD2-CD2 3.62Å; L433-L441 HydrophobicContact CD2-CG 3.74Å; L441-Y443 VanDerWaalsContact C-N 3.31Å; L441-Y443 HydrophobicContact CB-CE1 4.17Å; L441-Y443 HydrophobicContact CB-CE2 4.34Å; L441-Y443 HydrophobicContact CD1-CE1 4.44Å; L441-Y443 VanDerWaalsContact O-CD2 3.28Å; L441-Y443 WeakPolarHBondContact O-CD2 3.21Å; L441-Y443 PolarHBondContact O-N 2.88Å; L441-Y446 HydrophobicContact CD2-CE2 4.03Å
442	N	90.6	Very high	86.6	Confident	41 Å²	41	77.7 Å²	77.7	22%	0.219	38%	0.375	C	S	.	.			trans	-81	79.1	175	-169.6	-23.8	0	0	0	110.3	I414 V444 Y445 Y446	I414-N442 HydrophobicContact CG2-CB 4.15Å; I414-N442 PolarHBondContact O-N 3.26Å; N442-V444 PolarHBondContact O-N 3.12Å; N442-Y445 VanDerWaalsContact CG-CB 3.44Å; N442-Y445 WeakPolarHBondContact O-CB 2.94Å; N442-Y445 PolarHBondContact O-N 3.4Å; N442-Y445 WeakPolarHBondContact OD1-CB 3.45Å; N442-Y445 PolarHBondContact OD1-N 3.49Å; N442-Y446 VanDerWaalsContact O-CD2 3.23Å; N442-Y446 WeakPolarHBondContact O-CD2 3.42Å; N442-Y446 PolarHBondContact O-N 3.17Å; N442-Y446 VanDerWaalsContact O-N 3.16Å
443	Y	88	Confident	86.7	Confident	158 Å²	158	76.8 Å²	76.8	62%	0.62	38%	0.375	S	S	*	.	H	α-helix	trans	-55	-39.1	-178.9	-61.6	-73.5	0	0	0	112.7	L441 Y445 Y446 V447	L441-Y443 VanDerWaalsContact C-N 3.31Å; L441-Y443 HydrophobicContact CB-CE1 4.17Å; L441-Y443 HydrophobicContact CB-CE2 4.34Å; L441-Y443 HydrophobicContact CD1-CE1 4.44Å; L441-Y443 VanDerWaalsContact O-CD2 3.28Å; L441-Y443 WeakPolarHBondContact O-CD2 3.21Å; L441-Y443 PolarHBondContact O-N 2.88Å; Y443-Y445 VanDerWaalsContact C-N 3.35Å; Y443-Y445 PolarHBondContact O-N 3.38Å; Y443-Y446 PolarHBondContact O-N 3.39Å; Y443-V447 WeakPolarHBondContact O-CG2 3.47Å; Y443-V447 PolarHBondContact O-N 3.5Å
444	V	88.1	Confident	86.7	Confident	91 Å²	91	76.2 Å²	76.2	55%	0.552	38%	0.376	S	S	*	.	H	α-helix	trans	-61.4	-42.8	177.2	-176.7	0	0	0	0	111	N442 V447 V448	N442-V444 PolarHBondContact O-N 3.12Å; V444-V447 PolarHBondContact O-N 3.38Å; V444-V448 HydrophobicContact CG1-CG2 4.03Å; V444-V448 VanDerWaalsContact O-CB 3.29Å; V444-V448 WeakPolarHBondContact O-CB 3.4Å; V444-V448 WeakPolarHBondContact O-CG2 3.45Å; V444-V448 PolarHBondContact O-N 3.03Å
445	Y	89.5	Confident	87	Confident	34 Å²	34	78.2 Å²	78.2	13%	0.133	38%	0.384	C	S	.	.	H	α-helix	trans	-58.7	-50	173.1	167.6	-90	0	0	0	111.7	I414 L423 N442 Y443 V447 R449 Q450	I414-Y445 HydrophobicContact CB-CD1 3.79Å; I414-Y445 HydrophobicContact CB-CE1 3.97Å; I414-Y445 HydrophobicContact CB-CG 4.4Å; I414-Y445 HydrophobicContact CG1-CD1 3.91Å; I414-Y445 HydrophobicContact CG1-CE1 3.52Å; I414-Y445 HydrophobicContact CG2-CD1 3.92Å; I414-Y445 HydrophobicContact CG2-CD2 4.47Å; I414-Y445 HydrophobicContact CG2-CE1 4.36Å; I414-Y445 HydrophobicContact CG2-CG 4.01Å; L423-Y445 HydrophobicContact CD1-CD2 3.72Å; L423-Y445 HydrophobicContact CD1-CE2 3.41Å; L423-Y445 VanDerWaalsContact CD1-CE2 3.41Å; L423-Y445 HydrophobicContact CD1-CG 4.48Å; L423-Y445 HydrophobicContact CD2-CE2 3.74Å; L423-Y445 HydrophobicContact CG-CE2 4.25Å; N442-Y445 VanDerWaalsContact CG-CB 3.44Å; N442-Y445 WeakPolarHBondContact O-CB 2.94Å; N442-Y445 PolarHBondContact O-N 3.4Å; N442-Y445 WeakPolarHBondContact OD1-CB 3.45Å; N442-Y445 PolarHBondContact OD1-N 3.49Å; Y443-Y445 VanDerWaalsContact C-N 3.35Å; Y443-Y445 PolarHBondContact O-N 3.38Å; Y445-V447 PolarHBondContact O-N 3.23Å; Y445-R449 HydrophobicContact CD2-CB 3.95Å; Y445-R449 HydrophobicContact CD2-CG 3.66Å; Y445-R449 HydrophobicContact CE2-CB 3.78Å; Y445-R449 HydrophobicContact CE2-CG 3.82Å; Y445-R449 HydrophobicContact CG-CG 4.46Å; Y445-R449 WeakPolarHBondContact O-CA 3.43Å; Y445-R449 WeakPolarHBondContact O-CB 3.4Å; Y445-R449 PolarHBondContact O-N 3.31Å; Y445-Q450 HydrophobicContact CE1-CG 4.24Å; Y445-Q450 PolarHBondContact OH-NE2 3.47Å
446	Y	88.9	Confident	87.3	Confident	47 Å²	47	71.1 Å²	71.1	18%	0.184	36%	0.36	C	S	.	.	I	π-helix	trans	-63.3	-41.8	-178.5	-73.3	-76.6	0	0	0	112.1	F392 V413 I414 L441 N442 Y443 Q450 L451	F392-Y446 HydrophobicContact CB-CD1 4.41Å; V413-Y446 WeakPolarHBondContact CA-OH 3.17Å; I414-Y446 HydrophobicContact CB-CE2 4.38Å; I414-Y446 PolarHBondContact N-OH 3.27Å; L441-Y446 HydrophobicContact CD2-CE2 4.03Å; N442-Y446 VanDerWaalsContact O-CD2 3.23Å; N442-Y446 WeakPolarHBondContact O-CD2 3.42Å; N442-Y446 PolarHBondContact O-N 3.17Å; N442-Y446 VanDerWaalsContact O-N 3.16Å; Y443-Y446 PolarHBondContact O-N 3.39Å; Y446-Q450 HydrophobicContact CD1-CG 4.27Å; Y446-Q450 WeakPolarHBondContact O-CA 3.46Å; Y446-Q450 VanDerWaalsContact O-CB 3.24Å; Y446-Q450 WeakPolarHBondContact O-CB 3.44Å; Y446-Q450 PolarHBondContact O-N 2.94Å; Y446-Q450 VanDerWaalsContact O-N 3.13Å; Y446-L451 PolarHBondContact O-N 3.07Å
447	V	87	Confident	87.2	Confident	38 Å²	38	71.5 Å²	71.5	23%	0.23	36%	0.356	C	S	.	.	I	π-helix	trans	-67.1	-56.8	176.9	180	0	0	0	0	111	Y443 V444 Y445 L451 V452 F470	Y443-V447 WeakPolarHBondContact O-CG2 3.47Å; Y443-V447 PolarHBondContact O-N 3.5Å; V444-V447 PolarHBondContact O-N 3.38Å; Y445-V447 PolarHBondContact O-N 3.23Å; V447-L451 HydrophobicContact CG2-CD1 4.32Å; V447-L451 PolarHBondContact O-N 2.79Å; V447-V452 HydrophobicContact CG1-CG2 3.99Å; V447-V452 WeakPolarHBondContact O-CG2 3.22Å; V447-V452 PolarHBondContact O-N 2.88Å; V447-F470 HydrophobicContact CB-CD2 4.49Å; V447-F470 HydrophobicContact CB-CE2 4.13Å; V447-F470 HydrophobicContact CB-CZ 4.28Å; V447-F470 HydrophobicContact CG1-CD1 4.26Å; V447-F470 HydrophobicContact CG1-CD2 3.53Å; V447-F470 HydrophobicContact CG1-CE1 4.37Å; V447-F470 HydrophobicContact CG1-CE2 3.65Å; V447-F470 HydrophobicContact CG1-CG 3.85Å; V447-F470 HydrophobicContact CG1-CZ 4.08Å; V447-F470 HydrophobicContact CG2-CE2 4.28Å
448	V	88.2	Confident	87.2	Confident	40 Å²	40	68.8 Å²	68.8	24%	0.242	34%	0.337	C	S	.	.	I	π-helix	trans	-75.5	-28.7	-170.1	179.8	0	0	0	0	113.2	V444 P453 F470	V444-V448 HydrophobicContact CG1-CG2 4.03Å; V444-V448 VanDerWaalsContact O-CB 3.29Å; V444-V448 WeakPolarHBondContact O-CB 3.4Å; V444-V448 WeakPolarHBondContact O-CG2 3.45Å; V444-V448 PolarHBondContact O-N 3.03Å; V448-P453 WeakPolarHBondContact O-CD 3.15Å; V448-F470 HydrophobicContact CG2-CD1 4Å; V448-F470 HydrophobicContact CG2-CE1 3.67Å
449	R	87.4	Confident	87.2	Confident	177 Å²	177	63.3 Å²	63.3	67%	0.668	31%	0.31	S	S	*	.	I	π-helix	trans	-103.5	-23.6	-177.4	-57.7	-64.9	-169.5	167.3	0.1	114.7	Y445	Y445-R449 HydrophobicContact CD2-CB 3.95Å; Y445-R449 HydrophobicContact CD2-CG 3.66Å; Y445-R449 HydrophobicContact CE2-CB 3.78Å; Y445-R449 HydrophobicContact CE2-CG 3.82Å; Y445-R449 HydrophobicContact CG-CG 4.46Å; Y445-R449 WeakPolarHBondContact O-CA 3.43Å; Y445-R449 WeakPolarHBondContact O-CB 3.4Å; Y445-R449 PolarHBondContact O-N 3.31Å
450	Q	84	Confident	87.2	Confident	50 Å²	50	65.7 Å²	65.7	23%	0.234	32%	0.323	C	S	.	.	I	π-helix	trans	-109.5	-52.6	-179.3	-55.1	-72.3	-24.3	0	0	111.7	Y445 Y446	Y445-Q450 HydrophobicContact CE1-CG 4.24Å; Y445-Q450 PolarHBondContact OH-NE2 3.47Å; Y446-Q450 HydrophobicContact CD1-CG 4.27Å; Y446-Q450 WeakPolarHBondContact O-CA 3.46Å; Y446-Q450 VanDerWaalsContact O-CB 3.24Å; Y446-Q450 WeakPolarHBondContact O-CB 3.44Å; Y446-Q450 PolarHBondContact O-N 2.94Å; Y446-Q450 VanDerWaalsContact O-N 3.13Å
451	L	85.4	Confident	87	Confident	73 Å²	73	61 Å²	61	38%	0.382	31%	0.305	S	S	.	.	I	π-helix	trans	-77.2	-58.3	-175.4	-64.5	176.3	0	0	0	113.2	F392 Y446 V447 A454 L455	F392-L451 HydrophobicContact CD1-CD2 4.43Å; F392-L451 HydrophobicContact CE1-CD2 4.01Å; Y446-L451 PolarHBondContact O-N 3.07Å; V447-L451 HydrophobicContact CG2-CD1 4.32Å; V447-L451 PolarHBondContact O-N 2.79Å; L451-A454 WeakPolarHBondContact O-CA 3.48Å; L451-A454 WeakPolarHBondContact O-CB 3.45Å; L451-A454 PolarHBondContact O-N 3.13Å; L451-L455 WeakPolarHBondContact O-CG 3.46Å; L451-L455 PolarHBondContact O-N 2.92Å
452	V	87.8	Confident	86.9	Confident	11 Å²	11	63.6 Å²	63.6	7%	0.067	31%	0.314	C	S	.	.	H	α-helix	trans	-54.6	-45.2	-175.3	169.3	0	0	0	0	112.2	V447 A454 L455 N456 C466 H467	V447-V452 HydrophobicContact CG1-CG2 3.99Å; V447-V452 WeakPolarHBondContact O-CG2 3.22Å; V447-V452 PolarHBondContact O-N 2.88Å; V452-A454 VanDerWaalsContact C-N 3.28Å; V452-A454 PolarHBondContact O-N 3.29Å; V452-L455 PolarHBondContact O-N 3.1Å; V452-N456 WeakPolarHBondContact O-CB 3.36Å; V452-N456 PolarHBondContact O-N 3.16Å; V452-C466 HydrophobicContact CG1-CB 4.48Å; V452-H467 HydrophobicContact CG1-CB 4.04Å
453	P	87.3	Confident	86.7	Confident	48 Å²	48	69.2 Å²	69.2	31%	0.312	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-30	177.1	-23.2	36.5	0	0	0	113.2	V448 R457	V448-P453 WeakPolarHBondContact O-CD 3.15Å; P453-R457 VanDerWaalsContact O-CG 3.3Å; P453-R457 WeakPolarHBondContact O-CG 3.49Å; P453-R457 PolarHBondContact O-N 2.95Å; P453-R457 PolarHBondContact O-NH1 3.31Å
454	A	84.1	Confident	86.7	Confident	26 Å²	26	66.8 Å²	66.8	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-75.5	-37.1	176.4	0	0	0	0	0	112.6	E385 L451 V452	E385-A454 HydrophobicContact CB-CB 4.42Å; E385-A454 HydrophobicContact CG-CB 4.1Å; L451-A454 WeakPolarHBondContact O-CA 3.48Å; L451-A454 WeakPolarHBondContact O-CB 3.45Å; L451-A454 PolarHBondContact O-N 3.13Å; V452-A454 VanDerWaalsContact C-N 3.28Å; V452-A454 PolarHBondContact O-N 3.29Å
455	L	86.8	Confident	86.7	Confident	89 Å²	89	65.9 Å²	65.9	47%	0.466	33%	0.333	S	S	.	.	H	α-helix	trans	-72.3	-48.5	175.9	-62.6	173.2	0	0	0	111	L451 V452 R457 V458 C459 C466	L451-L455 WeakPolarHBondContact O-CG 3.46Å; L451-L455 PolarHBondContact O-N 2.92Å; V452-L455 PolarHBondContact O-N 3.1Å; L455-R457 PolarHBondContact O-N 3.4Å; L455-R457 VanDerWaalsContact O-N 3.13Å; L455-V458 CarbonylContact O-C 3.47Å; L455-V458 PolarHBondContact O-N 2.85Å; L455-C459 WeakPolarHBondContact O-CB 3.46Å; L455-C459 PolarHBondContact O-N 3.02Å; L455-C459 PolarHBondContact O-SG 3.44Å; L455-C459 VanDerWaalsContact O-SG 3.38Å; L455-C466 HydrophobicContact CB-CB 4.14Å; L455-C466 VanDerWaalsContact CB-SG 3.53Å; L455-C466 HydrophobicContact CD1-CB 4.5Å
456	N	88.7	Confident	86.6	Confident	24 Å²	24	65 Å²	65	13%	0.128	33%	0.332	C	S	.	.	H	α-helix	trans	-58.3	-29.1	178.4	-77.6	15.1	0	0	0	113.2	V452 V458 N460 D465 C466	V452-N456 WeakPolarHBondContact O-CB 3.36Å; V452-N456 PolarHBondContact O-N 3.16Å; N456-V458 PolarHBondContact O-N 3.06Å; N456-V458 VanDerWaalsContact O-N 3.1Å; N456-N460 WeakPolarHBondContact CA-OD1 3.47Å; N456-N460 VanDerWaalsContact CB-OD1 3.26Å; N456-N460 WeakPolarHBondContact CB-OD1 3.24Å; N456-N460 WeakPolarHBondContact O-CB 3.3Å; N456-N460 PolarHBondContact O-N 3.01Å; N456-N460 VanDerWaalsContact O-N 3.07Å; N456-N460 PolarHBondContact O-OD1 3.49Å; N456-N460 VanDerWaalsContact O-OD1 3.08Å; N456-D465 PolarHBondContact ND2-OD1 2.95Å; N456-D465 PolarHBondContact OD1-OD1 3.3Å; N456-C466 WeakPolarHBondContact OD1-CA 3.22Å; N456-C466 WeakPolarHBondContact OD1-CB 3.45Å; N456-C466 PolarHBondContact OD1-N 2.86Å; N456-C466 PolarHBondContact OD1-SG 2.83Å; N456-C466 VanDerWaalsContact OD1-SG 3.37Å
457	R	83	Confident	86.5	Confident	72 Å²	72	66.3 Å²	66.3	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-57	-23.1	171.8	-84.2	-170.5	-76.3	-79.5	3.6	114	Q359 E385 P453 L455	Q359-R457 WeakPolarHBondContact CG-O 3.39Å; Q359-R457 VanDerWaalsContact NE2-CG 3.25Å; E385-R457 IonicContact OE1-CZ 2.69Å; E385-R457 IonicContact OE1-NE 3.45Å; E385-R457 IonicContact OE1-NH2 3.58Å; E385-R457 PolarHBondContact OE1-NH2 3.25Å; E385-R457 IonicContact OE2-CZ 3.93Å; E385-R457 VanDerWaalsContact OE2-CZ 3.28Å; E385-R457 IonicContact OE2-NE 3.36Å; E385-R457 PolarHBondContact OE2-NE 3.16Å; E385-R457 IonicContact OE2-NH2 3.79Å; E385-R457 PolarHBondContact OE2-NH2 2.8Å; P453-R457 VanDerWaalsContact O-CG 3.3Å; P453-R457 WeakPolarHBondContact O-CG 3.49Å; P453-R457 PolarHBondContact O-N 2.95Å; P453-R457 PolarHBondContact O-NH1 3.31Å; L455-R457 PolarHBondContact O-N 3.4Å; L455-R457 VanDerWaalsContact O-N 3.13Å
458	V	83.2	Confident	86.4	Confident	56 Å²	56	68.8 Å²	68.8	34%	0.339	35%	0.352	S	S	.	.	H	α-helix	trans	-112.6	-47.1	176.9	-178.7	0	0	0	0	111	L455 N456 N460 L461 F462	L455-V458 CarbonylContact O-C 3.47Å; L455-V458 PolarHBondContact O-N 2.85Å; N456-V458 PolarHBondContact O-N 3.06Å; N456-V458 VanDerWaalsContact O-N 3.1Å; V458-N460 VanDerWaalsContact C-N 3.3Å; V458-N460 PolarHBondContact O-N 2.91Å; V458-L461 VanDerWaalsContact O-CB 3.24Å; V458-L461 WeakPolarHBondContact O-CB 3.47Å; V458-L461 WeakPolarHBondContact O-CG 3.34Å; V458-L461 PolarHBondContact O-N 2.86Å; V458-F462 HydrophobicContact CG1-CE2 4.08Å; V458-F462 WeakPolarHBondContact O-CD2 3.35Å
459	C	87.2	Confident	86.2	Confident	29 Å²	29	71.4 Å²	71.4	20%	0.196	36%	0.364	C	S	.	.	H	α-helix	trans	-62.3	-32.5	-177	-64	0	0	0	0	113.3	L455 L461 F462 N463 L464 C466	L455-C459 WeakPolarHBondContact O-CB 3.46Å; L455-C459 PolarHBondContact O-N 3.02Å; L455-C459 PolarHBondContact O-SG 3.44Å; L455-C459 VanDerWaalsContact O-SG 3.38Å; C459-L461 PolarHBondContact O-N 2.96Å; C459-F462 CarbonylContact O-C 3.6Å; C459-F462 WeakPolarHBondContact O-CA 3.19Å; C459-F462 PolarHBondContact O-N 3.17Å; C459-N463 PolarHBondContact O-N 3.32Å; C459-L464 CarbonylContact C-O 3.58Å; C459-L464 HydrophobicContact CB-CB 4.07Å; C459-L464 VanDerWaalsContact CB-O 3.22Å; C459-L464 WeakPolarHBondContact CB-O 3.33Å; C459-L464 PolarHBondContact O-N 2.86Å; C459-C466 PolarHBondContact SG-SG 3.41Å
460	N	87.6	Confident	86.1	Confident	81 Å²	81	65.4 Å²	65.4	43%	0.433	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-64.4	-24.2	175.7	-66.6	21.6	0	0	0	112.3	N456 V458 F462 N463 L464	N456-N460 WeakPolarHBondContact CA-OD1 3.47Å; N456-N460 VanDerWaalsContact CB-OD1 3.26Å; N456-N460 WeakPolarHBondContact CB-OD1 3.24Å; N456-N460 WeakPolarHBondContact O-CB 3.3Å; N456-N460 PolarHBondContact O-N 3.01Å; N456-N460 VanDerWaalsContact O-N 3.07Å; N456-N460 PolarHBondContact O-OD1 3.49Å; N456-N460 VanDerWaalsContact O-OD1 3.08Å; V458-N460 VanDerWaalsContact C-N 3.3Å; V458-N460 PolarHBondContact O-N 2.91Å; N460-F462 PolarHBondContact O-N 2.86Å; N460-N463 PolarHBondContact O-N 3.47Å; N460-L464 PolarHBondContact N-O 3.41Å; N460-L464 PolarHBondContact OD1-O 3.48Å
461	L	84.9	Confident	86	Confident	50 Å²	50	66.6 Å²	66.6	26%	0.262	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-68.1	-16.3	173.4	-54.1	175.4	0	0	0	112.6	V357 V458 C459	V357-L461 HydrophobicContact CG1-CD1 3.4Å; V357-L461 HydrophobicContact CG2-CD1 4.49Å; V458-L461 VanDerWaalsContact O-CB 3.24Å; V458-L461 WeakPolarHBondContact O-CB 3.47Å; V458-L461 WeakPolarHBondContact O-CG 3.34Å; V458-L461 PolarHBondContact O-N 2.86Å; C459-L461 PolarHBondContact O-N 2.96Å
462	F	86.7	Confident	85.8	Confident	100 Å²	100	69 Å²	69	44%	0.439	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-110.5	14.8	176.6	-56.8	-80.6	0	0	0	112	F137 V458 C459 N460 L464	F137-F462 HydrophobicContact CB-CE1 4.22Å; F137-F462 HydrophobicContact CB-CZ 3.95Å; F137-F462 AromaticContact CD1-CE1 3.87Å; F137-F462 HydrophobicContact CD1-CE1 3.87Å; F137-F462 HydrophobicContact CD1-CZ 4.08Å; F137-F462 AromaticContact CD2-CZ 3.9Å; F137-F462 HydrophobicContact CD2-CZ 3.9Å; F137-F462 HydrophobicContact CE1-CE1 4.35Å; F137-F462 HydrophobicContact CE2-CZ 4.41Å; F137-F462 AromaticContact CG-CE1 3.95Å; F137-F462 HydrophobicContact CG-CE1 3.95Å; F137-F462 AromaticContact CG-CZ 3.71Å; F137-F462 HydrophobicContact CG-CZ 3.71Å; V458-F462 HydrophobicContact CG1-CE2 4.08Å; V458-F462 WeakPolarHBondContact O-CD2 3.35Å; C459-F462 CarbonylContact O-C 3.6Å; C459-F462 WeakPolarHBondContact O-CA 3.19Å; C459-F462 PolarHBondContact O-N 3.17Å; N460-F462 PolarHBondContact O-N 2.86Å; F462-L464 VanDerWaalsContact C-N 3.29Å; F462-L464 HydrophobicContact CB-CD1 4.38Å; F462-L464 HydrophobicContact CB-CG 4.49Å; F462-L464 PolarHBondContact O-N 2.85Å
463	N	86.3	Confident	85.5	Confident	159 Å²	159	73.6 Å²	73.6	85%	0.85	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	34.2	-175	-56.6	-50.8	0	0	0	114.4	C459 N460	C459-N463 PolarHBondContact O-N 3.32Å; N460-N463 PolarHBondContact O-N 3.47Å
464	L	87.8	Confident	84.8	Confident	108 Å²	108	73.8 Å²	73.8	57%	0.565	39%	0.388	S	S	*	.			trans	-113.8	120.6	177.1	-65	173.1	0	0	0	111	C459 N460 F462	C459-L464 CarbonylContact C-O 3.58Å; C459-L464 HydrophobicContact CB-CB 4.07Å; C459-L464 VanDerWaalsContact CB-O 3.22Å; C459-L464 WeakPolarHBondContact CB-O 3.33Å; C459-L464 PolarHBondContact O-N 2.86Å; N460-L464 PolarHBondContact N-O 3.41Å; N460-L464 PolarHBondContact OD1-O 3.48Å; F462-L464 VanDerWaalsContact C-N 3.29Å; F462-L464 HydrophobicContact CB-CD1 4.38Å; F462-L464 HydrophobicContact CB-CG 4.49Å; F462-L464 PolarHBondContact O-N 2.85Å
465	D	89.5	Confident	83.8	Confident	71 Å²	71	75.8 Å²	75.8	38%	0.38	41%	0.411	S	S	.	.			trans	-95.3	118.8	170.7	-162	-28.1	0	0	0	111.2	N456 H467 L469	N456-D465 PolarHBondContact ND2-OD1 2.95Å; N456-D465 PolarHBondContact OD1-OD1 3.3Å; D465-H467 VanDerWaalsContact C-N 3.27Å; D465-H467 PolarHBondContact O-N 3.38Å; D465-H467 WeakPolarHBondContact OD1-CB 3.18Å; D465-H467 PolarHBondContact OD1-N 3.04Å; D465-L469 PolarHBondContact O-N 3.03Å
466	C	87	Confident	82.4	Confident	15 Å²	15	82 Å²	82	10%	0.101	43%	0.428	C	S	.	.	H	α-helix	trans	-75.6	-15	177.6	-55.5	0	0	0	0	113	V452 L455 N456 C459 F470	V452-C466 HydrophobicContact CG1-CB 4.48Å; L455-C466 HydrophobicContact CB-CB 4.14Å; L455-C466 VanDerWaalsContact CB-SG 3.53Å; L455-C466 HydrophobicContact CD1-CB 4.5Å; N456-C466 WeakPolarHBondContact OD1-CA 3.22Å; N456-C466 WeakPolarHBondContact OD1-CB 3.45Å; N456-C466 PolarHBondContact OD1-N 2.86Å; N456-C466 PolarHBondContact OD1-SG 2.83Å; N456-C466 VanDerWaalsContact OD1-SG 3.37Å; C459-C466 PolarHBondContact SG-SG 3.41Å; C466-F470 WeakPolarHBondContact O-CB 3.42Å; C466-F470 PolarHBondContact O-N 2.84Å
467	H	86.6	Confident	80.7	Confident	76 Å²	76	85.2 Å²	85.2	35%	0.352	45%	0.453	S	S	.	.	H	α-helix	trans	-66.8	-49	171.9	-174.9	-87.3	0	0	0	110.5	V452 D465 L469 F470 V471	V452-H467 HydrophobicContact CG1-CB 4.04Å; D465-H467 VanDerWaalsContact C-N 3.27Å; D465-H467 PolarHBondContact O-N 3.38Å; D465-H467 WeakPolarHBondContact OD1-CB 3.18Å; D465-H467 PolarHBondContact OD1-N 3.04Å; H467-L469 VanDerWaalsContact C-N 3.34Å; H467-L469 PolarHBondContact O-N 3.35Å; H467-F470 WeakPolarHBondContact O-CB 3.42Å; H467-F470 PolarHBondContact O-N 3.49Å; H467-F470 VanDerWaalsContact O-N 3.11Å; H467-V471 WeakPolarHBondContact O-CG2 3.42Å; H467-V471 PolarHBondContact O-N 2.8Å
468	D	85.4	Confident	78.7	Confident	90 Å²	90	85.6 Å²	85.6	48%	0.481	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-40.6	178.6	-70.7	-10.5	0	0	0	111.4	F470 V471 Q472	D468-F470 VanDerWaalsContact C-N 3.31Å; D468-F470 PolarHBondContact O-N 3Å; D468-V471 PolarHBondContact O-N 3.02Å; D468-Q472 VanDerWaalsContact O-CG 3.29Å; D468-Q472 WeakPolarHBondContact O-CG 2.93Å; D468-Q472 PolarHBondContact O-N 3.36Å
469	L	84.2	Confident	76.9	Confident	94 Å²	94	87.6 Å²	87.6	49%	0.492	50%	0.502	S	S	.	.	H	α-helix	trans	-58.7	-42.1	172.3	-175	64.6	0	0	0	111.8	D465 H467 Q472 I473	D465-L469 PolarHBondContact O-N 3.03Å; H467-L469 VanDerWaalsContact C-N 3.34Å; H467-L469 PolarHBondContact O-N 3.35Å; L469-Q472 PolarHBondContact O-N 3.08Å; L469-I473 HydrophobicContact CD1-CD1 4.22Å; L469-I473 HydrophobicContact CG-CD1 4Å; L469-I473 WeakPolarHBondContact O-CD1 3.26Å; L469-I473 VanDerWaalsContact O-CG1 3.26Å; L469-I473 WeakPolarHBondContact O-CG1 3.33Å; L469-I473 PolarHBondContact O-N 3.37Å
470	F	83.9	Confident	75	Confident	52 Å²	52	90.3 Å²	90.3	23%	0.228	52%	0.521	C	S	.	.	H	α-helix	trans	-65.9	-40.5	176.2	174	-112.3	0	0	0	112.7	V447 V448 C466 H467 D468 I473 S474	V447-F470 HydrophobicContact CB-CD2 4.49Å; V447-F470 HydrophobicContact CB-CE2 4.13Å; V447-F470 HydrophobicContact CB-CZ 4.28Å; V447-F470 HydrophobicContact CG1-CD1 4.26Å; V447-F470 HydrophobicContact CG1-CD2 3.53Å; V447-F470 HydrophobicContact CG1-CE1 4.37Å; V447-F470 HydrophobicContact CG1-CE2 3.65Å; V447-F470 HydrophobicContact CG1-CG 3.85Å; V447-F470 HydrophobicContact CG1-CZ 4.08Å; V447-F470 HydrophobicContact CG2-CE2 4.28Å; V448-F470 HydrophobicContact CG2-CD1 4Å; V448-F470 HydrophobicContact CG2-CE1 3.67Å; C466-F470 WeakPolarHBondContact O-CB 3.42Å; C466-F470 PolarHBondContact O-N 2.84Å; H467-F470 WeakPolarHBondContact O-CB 3.42Å; H467-F470 PolarHBondContact O-N 3.49Å; H467-F470 VanDerWaalsContact O-N 3.11Å; D468-F470 VanDerWaalsContact C-N 3.31Å; D468-F470 PolarHBondContact O-N 3Å; F470-I473 PolarHBondContact O-N 2.75Å; F470-S474 WeakPolarHBondContact O-CB 3.01Å; F470-S474 PolarHBondContact O-N 2.83Å; F470-S474 PolarHBondContact O-OG 2.88Å
471	V	82.9	Confident	73.3	Confident	75 Å²	75	91.5 Å²	91.5	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-44.4	175.2	173.3	0	0	0	0	110.7	H467 D468 I473 S474 G475	H467-V471 WeakPolarHBondContact O-CG2 3.42Å; H467-V471 PolarHBondContact O-N 2.8Å; D468-V471 PolarHBondContact O-N 3.02Å; V471-I473 VanDerWaalsContact C-N 3.33Å; V471-I473 PolarHBondContact O-N 2.78Å; V471-S474 PolarHBondContact O-N 3.2Å; V471-S474 PolarHBondContact O-OG 3.3Å; V471-G475 PolarHBondContact O-N 2.9Å
472	Q	81.9	Confident	72	Confident	123 Å²	123	95.3 Å²	95.3	58%	0.575	56%	0.562	S	S	*	*	H	α-helix	trans	-63.3	-35.2	177.9	-71.7	174.1	19.5	0	0	113.4	D468 L469	D468-Q472 VanDerWaalsContact O-CG 3.29Å; D468-Q472 WeakPolarHBondContact O-CG 2.93Å; D468-Q472 PolarHBondContact O-N 3.36Å; L469-Q472 PolarHBondContact O-N 3.08Å
473	I	79.7	Confident	70.9	Confident	107 Å²	107	93.9 Å²	93.9	55%	0.549	56%	0.558	S	S	.	*	H	α-helix	trans	-74.8	-48.6	177	-68.5	165.6	0	0	0	110.6	L469 F470 V471 G475 R476	L469-I473 HydrophobicContact CD1-CD1 4.22Å; L469-I473 HydrophobicContact CG-CD1 4Å; L469-I473 WeakPolarHBondContact O-CD1 3.26Å; L469-I473 VanDerWaalsContact O-CG1 3.26Å; L469-I473 WeakPolarHBondContact O-CG1 3.33Å; L469-I473 PolarHBondContact O-N 3.37Å; F470-I473 PolarHBondContact O-N 2.75Å; V471-I473 VanDerWaalsContact C-N 3.33Å; V471-I473 PolarHBondContact O-N 2.78Å; I473-G475 VanDerWaalsContact C-N 3.33Å; I473-G475 PolarHBondContact O-N 2.91Å; I473-R476 PolarHBondContact O-N 3.02Å
474	S	73.5	Confident	70.3	Confident	53 Å²	53	89 Å²	89	37%	0.371	54%	0.535	S	S	.	.	H	α-helix	trans	-68.1	-28.4	-176.3	53.5	0	0	0	0	113.7	F470 V471 R476 S477	F470-S474 WeakPolarHBondContact O-CB 3.01Å; F470-S474 PolarHBondContact O-N 2.83Å; F470-S474 PolarHBondContact O-OG 2.88Å; V471-S474 PolarHBondContact O-N 3.2Å; V471-S474 PolarHBondContact O-OG 3.3Å; S474-R476 PolarHBondContact O-N 2.93Å; S474-S477 PolarHBondContact O-OG 3.42Å; S474-S477 VanDerWaalsContact O-OG 3.08Å
475	G	63.2	Low	69.6	Low	68 Å²	68	87.9 Å²	87.9	70%	0.701	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.9	175	0	0	0	0	0	115.6	V471 I473	V471-G475 PolarHBondContact O-N 2.9Å; I473-G475 VanDerWaalsContact C-N 3.33Å; I473-G475 PolarHBondContact O-N 2.91Å
476	R	57.2	Low	68.8	Low	218 Å²	218	89.9 Å²	89.9	82%	0.823	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.5	-178.7	-65.5	-177.4	-177.5	-159.2	-1.3	114.5	I473 S474	I473-R476 PolarHBondContact O-N 3.02Å; S474-R476 PolarHBondContact O-N 2.93Å
477	S	52.3	Low	68.1	Low	93 Å²	93	91.4 Å²	91.4	65%	0.65	56%	0.558	S	S	*	*			trans	-105.2	66	-172.3	43.9	0	0	0	0	113	S474 A479	S474-S477 PolarHBondContact O-OG 3.42Å; S474-S477 VanDerWaalsContact O-OG 3.08Å; S477-A479 PolarHBondContact O-N 3.49Å
478	G	42.7	Very low	67.4	Low	79 Å²	79	92.9 Å²	92.9	81%	0.814	57%	0.567	S	S	*	*			trans	-89.7	71.6	169.1	0	0	0	0	0	112.1	S480	G478-S480 PolarHBondContact O-N 3.44Å
479	A	44.9	Very low	67.2	Low	99 Å²	99	93.1 Å²	93.1	82%	0.818	58%	0.576	S	S	*	*			trans	-85.8	106.7	177.3	0	0	0	0	0	111.1	S477	S477-A479 PolarHBondContact O-N 3.49Å
480	S	46.2	Very low	67.1	Low	85 Å²	85	91.9 Å²	91.9	59%	0.594	57%	0.57	S	S	*	*			trans	-66.4	157.6	160.8	48.8	0	0	0	0	110.5	G478 D482	G478-S480 PolarHBondContact O-N 3.44Å; S480-D482 PolarHBondContact O-N 3.13Å
481	A	52.4	Low	66.9	Low	106 Å²	106	91.7 Å²	91.7	88%	0.876	57%	0.574	S	S	*	*	S	Bend	trans	-74.2	-13.7	178.3	0	0	0	0	0	113.4
482	D	57.9	Low	66.9	Low	130 Å²	130	94.3 Å²	94.3	70%	0.695	58%	0.583	S	S	*	*	S	Bend	trans	-89.2	151.6	179.8	-50.3	-58.7	0	0	0	111.4	S480 C484	S480-D482 PolarHBondContact O-N 3.13Å; D482-C484 PolarHBondContact O-N 3.21Å
483	M	63.9	Low	67.1	Low	70 Å²	70	92.6 Å²	92.6	35%	0.345	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-55.3	130.8	175	-72.5	178.5	61	0	0	110.7	C487 I488 L561	M483-C487 HydrophobicContact CE-CB 4.02Å; M483-I488 HydrophobicContact CB-CD1 4.13Å; M483-I488 HydrophobicContact CB-CG1 3.86Å; M483-I488 HydrophobicContact CE-CG1 3.96Å; M483-L561 HydrophobicContact CE-CD1 3.49Å; M483-L561 VanDerWaalsContact CE-CD1 3.49Å; M483-L561 HydrophobicContact SD-CD1 3.83Å
484	C	73.2	Confident	67.4	Low	56 Å²	56	88.4 Å²	88.4	38%	0.378	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-68.1	157.7	173.8	70.9	0	0	0	0	111.2	D482 D486 C487 I488	D482-C484 PolarHBondContact O-N 3.21Å; C484-D486 PolarHBondContact O-N 2.84Å; C484-D486 VanDerWaalsContact O-N 3.09Å; C484-C487 PolarHBondContact O-N 3.33Å; C484-C487 VanDerWaalsContact O-N 3.13Å; C484-I488 WeakPolarHBondContact O-CG1 3.36Å; C484-I488 PolarHBondContact O-N 3.49Å; C484-I488 VanDerWaalsContact O-N 3.13Å
485	S	72.4	Confident	68	Low	86 Å²	86	89 Å²	89	60%	0.601	55%	0.553	S	S	*	*	H	α-helix	trans	-46.3	-40.2	175.1	44.8	0	0	0	0	113	I488 S489	S485-I488 PolarHBondContact O-N 3.16Å; S485-S489 PolarHBondContact O-N 3Å
486	D	73	Confident	69.1	Low	112 Å²	112	90.3 Å²	90.3	60%	0.599	54%	0.543	S	S	*	.	H	α-helix	trans	-69.4	-44	-173.1	-44.5	-17.2	0	0	0	110.1	C484 I488 S489 D490	C484-D486 PolarHBondContact O-N 2.84Å; C484-D486 VanDerWaalsContact O-N 3.09Å; D486-I488 VanDerWaalsContact C-N 3.3Å; D486-I488 PolarHBondContact O-N 2.87Å; D486-S489 PolarHBondContact O-N 3.05Å; D486-S489 PolarHBondContact O-OG 2.92Å; D486-D490 PolarHBondContact O-N 2.89Å
487	C	72.5	Confident	70.5	Confident	48 Å²	48	83 Å²	83	32%	0.324	52%	0.522	S	S	.	.	H	α-helix	trans	-67.9	-28.8	175.6	-66.6	0	0	0	0	112.9	M483 C484 D490 S494	M483-C487 HydrophobicContact CE-CB 4.02Å; C484-C487 PolarHBondContact O-N 3.33Å; C484-C487 VanDerWaalsContact O-N 3.13Å; C487-D490 CarbonylContact O-C 3.5Å; C487-S494 VanDerWaalsContact CA-OG 3.3Å; C487-S494 WeakPolarHBondContact CA-OG 3.19Å; C487-S494 PolarHBondContact O-OG 3.4Å
488	I	73.3	Confident	72.1	Confident	106 Å²	106	80 Å²	80	54%	0.544	50%	0.499	S	S	.	.	H	α-helix	trans	-73	-34.6	173.5	-64.1	169.5	0	0	0	110.7	M483 C484 S485 D486	M483-I488 HydrophobicContact CB-CD1 4.13Å; M483-I488 HydrophobicContact CB-CG1 3.86Å; M483-I488 HydrophobicContact CE-CG1 3.96Å; C484-I488 WeakPolarHBondContact O-CG1 3.36Å; C484-I488 PolarHBondContact O-N 3.49Å; C484-I488 VanDerWaalsContact O-N 3.13Å; S485-I488 PolarHBondContact O-N 3.16Å; D486-I488 VanDerWaalsContact C-N 3.3Å; D486-I488 PolarHBondContact O-N 2.87Å
489	S	80.1	Confident	74.3	Confident	96 Å²	96	78.5 Å²	78.5	67%	0.671	47%	0.471	S	S	*	.	H	α-helix	trans	-72.1	-28.8	-179.5	74.4	0	0	0	0	114.1	S485 D486	S485-S489 PolarHBondContact O-N 3Å; D486-S489 PolarHBondContact O-N 3.05Å; D486-S489 PolarHBondContact O-OG 2.92Å
490	D	82	Confident	76.5	Confident	68 Å²	68	76.8 Å²	76.8	36%	0.364	45%	0.452	S	S	.	.			trans	-132.3	79.8	173.9	-172.9	-7.6	0	0	0	110.7	D486 C487 M492 N493 S494	D486-D490 PolarHBondContact O-N 2.89Å; C487-D490 CarbonylContact O-C 3.5Å; D490-M492 VanDerWaalsContact C-N 3.26Å; D490-M492 PolarHBondContact O-N 2.88Å; D490-M492 PolarHBondContact OD1-N 3.13Å; D490-N493 HydrophobicContact CB-CB 4.35Å; D490-N493 WeakPolarHBondContact OD1-CB 3.47Å; D490-N493 PolarHBondContact OD1-N 2.99Å; D490-N493 WeakPolarHBondContact OD2-CB 3.17Å; D490-S494 WeakPolarHBondContact O-CB 3.11Å; D490-S494 PolarHBondContact O-N 3.07Å; D490-S494 PolarHBondContact O-OG 2.94Å
491	P	79.6	Confident	78.5	Confident	48 Å²	48	77 Å²	77	31%	0.312	44%	0.444	S	S	.	.	H	α-helix	trans	-68.5	-25.9	-179	27.3	-34.1	0	0	0	112.2	Y495 M565	P491-Y495 WeakPolarHBondContact O-CB 3.41Å; P491-Y495 PolarHBondContact O-N 2.9Å; P491-M565 HydrophobicContact CB-CG 4.47Å; P491-M565 HydrophobicContact CB-SD 4.36Å
492	M	83.5	Confident	80.2	Confident	129 Å²	129	73.5 Å²	73.5	64%	0.635	41%	0.41	S	S	*	.	H	α-helix	trans	-73.7	-43.9	-178.1	-73.4	-66.6	172.3	0	0	112.2	D490 Y495 L496 M565	D490-M492 VanDerWaalsContact C-N 3.26Å; D490-M492 PolarHBondContact O-N 2.88Å; D490-M492 PolarHBondContact OD1-N 3.13Å; M492-Y495 PolarHBondContact O-N 3.31Å; M492-L496 WeakPolarHBondContact O-CB 3.34Å; M492-L496 PolarHBondContact O-N 3.17Å; M492-M565 HydrophobicContact CE-CE 3.81Å; M492-M565 HydrophobicContact SD-CE 4.04Å
493	N	86.3	Confident	81.8	Confident	88 Å²	88	74.4 Å²	74.4	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-69.3	-36.3	174	-171.7	17.7	0	0	0	111.7	D490 L496 T497	D490-N493 HydrophobicContact CB-CB 4.35Å; D490-N493 WeakPolarHBondContact OD1-CB 3.47Å; D490-N493 PolarHBondContact OD1-N 2.99Å; D490-N493 WeakPolarHBondContact OD2-CB 3.17Å; N493-L496 PolarHBondContact O-N 3.48Å; N493-T497 VanDerWaalsContact O-CB 3.31Å; N493-T497 WeakPolarHBondContact O-CB 3.34Å; N493-T497 PolarHBondContact O-N 3.41Å; N493-T497 PolarHBondContact O-OG1 3.45Å
494	S	84.6	Confident	83.1	Confident	18 Å²	18	75 Å²	75	13%	0.126	41%	0.408	C	S	.	.	H	α-helix	trans	-59.5	-46.2	171.6	-58.3	0	0	0	0	111.6	C487 D490 T497 L498	C487-S494 VanDerWaalsContact CA-OG 3.3Å; C487-S494 WeakPolarHBondContact CA-OG 3.19Å; C487-S494 PolarHBondContact O-OG 3.4Å; D490-S494 WeakPolarHBondContact O-CB 3.11Å; D490-S494 PolarHBondContact O-N 3.07Å; D490-S494 PolarHBondContact O-OG 2.94Å; S494-T497 PolarHBondContact O-N 3.15Å; S494-L498 WeakPolarHBondContact O-CG 3.32Å; S494-L498 PolarHBondContact O-N 3.46Å
495	Y	86	Confident	83.8	Confident	67 Å²	67	72.8 Å²	72.8	26%	0.263	39%	0.394	S	S	.	.	H	α-helix	trans	-61.7	-47.8	175.7	178.5	-88.1	0	0	0	112.2	P491 M492 T497 L498 Q499 F558 L561 T562 M565	P491-Y495 WeakPolarHBondContact O-CB 3.41Å; P491-Y495 PolarHBondContact O-N 2.9Å; M492-Y495 PolarHBondContact O-N 3.31Å; Y495-T497 VanDerWaalsContact C-N 3.3Å; Y495-T497 PolarHBondContact O-N 3.3Å; Y495-L498 PolarHBondContact O-N 3.16Å; Y495-Q499 VanDerWaalsContact O-CB 3.31Å; Y495-Q499 WeakPolarHBondContact O-CB 3.34Å; Y495-Q499 PolarHBondContact O-N 2.86Å; Y495-F558 AromaticContact CD2-CE2 3.89Å; Y495-F558 HydrophobicContact CD2-CE2 3.89Å; Y495-F558 HydrophobicContact CD2-CZ 4.32Å; Y495-F558 HydrophobicContact CE1-CE2 4.41Å; Y495-F558 HydrophobicContact CE2-CD2 4.49Å; Y495-F558 HydrophobicContact CE2-CE1 4.45Å; Y495-F558 AromaticContact CE2-CE2 3.46Å; Y495-F558 HydrophobicContact CE2-CE2 3.46Å; Y495-F558 VanDerWaalsContact CE2-CE2 3.46Å; Y495-F558 AromaticContact CE2-CZ 3.45Å; Y495-F558 HydrophobicContact CE2-CZ 3.45Å; Y495-F558 VanDerWaalsContact CE2-CZ 3.45Å; Y495-F558 AromaticContact CZ-CE2 3.76Å; Y495-F558 AromaticContact CZ-CZ 3.61Å; Y495-L561 VanDerWaalsContact CA-CD2 3.49Å; Y495-L561 HydrophobicContact CD2-CD2 4.43Å; Y495-T562 HydrophobicContact CD2-CG2 4.42Å; Y495-T562 HydrophobicContact CE2-CG2 3.83Å; Y495-M565 HydrophobicContact CD2-SD 4.05Å; Y495-M565 HydrophobicContact CG-SD 4.42Å
496	L	87.1	Confident	84.7	Confident	94 Å²	94	74 Å²	74	49%	0.492	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-40.9	177.6	-177.8	62.8	0	0	0	111.6	M492 N493 Q499 C500	M492-L496 WeakPolarHBondContact O-CB 3.34Å; M492-L496 PolarHBondContact O-N 3.17Å; N493-L496 PolarHBondContact O-N 3.48Å; L496-Q499 PolarHBondContact O-N 3.04Å; L496-C500 WeakPolarHBondContact O-CB 3.43Å; L496-C500 PolarHBondContact O-N 2.97Å; L496-C500 PolarHBondContact O-SG 3.43Å
497	T	87.3	Confident	85.5	Confident	65 Å²	65	77.3 Å²	77.3	40%	0.399	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-49.2	177.7	-62.1	0	0	0	0	111.4	N493 S494 Y495 Q499 C500 Q501	N493-T497 VanDerWaalsContact O-CB 3.31Å; N493-T497 WeakPolarHBondContact O-CB 3.34Å; N493-T497 PolarHBondContact O-N 3.41Å; N493-T497 PolarHBondContact O-OG1 3.45Å; S494-T497 PolarHBondContact O-N 3.15Å; Y495-T497 VanDerWaalsContact C-N 3.3Å; Y495-T497 PolarHBondContact O-N 3.3Å; T497-Q499 VanDerWaalsContact C-N 3.34Å; T497-Q499 PolarHBondContact O-N 3.41Å; T497-C500 PolarHBondContact O-N 3.33Å; T497-Q501 WeakPolarHBondContact O-CG 3.41Å; T497-Q501 PolarHBondContact O-N 3.11Å
498	L	85.3	Confident	86.4	Confident	30 Å²	30	80.5 Å²	80.5	16%	0.157	40%	0.403	C	S	.	.	H	α-helix	trans	-63.9	-38.1	175.9	-70.4	179.8	0	0	0	112	S494 Y495 C500 Q501 L502 Q557 F558 L561	S494-L498 WeakPolarHBondContact O-CG 3.32Å; S494-L498 PolarHBondContact O-N 3.46Å; Y495-L498 PolarHBondContact O-N 3.16Å; L498-C500 VanDerWaalsContact C-N 3.34Å; L498-C500 PolarHBondContact O-N 2.93Å; L498-Q501 PolarHBondContact O-N 3.03Å; L498-L502 WeakPolarHBondContact O-CB 3.33Å; L498-L502 PolarHBondContact O-N 2.93Å; L498-Q557 HydrophobicContact CD1-CB 4.43Å; L498-Q557 HydrophobicContact CD2-CB 4.27Å; L498-F558 HydrophobicContact CB-CD2 4.01Å; L498-L561 HydrophobicContact CD1-CB 4.11Å; L498-L561 HydrophobicContact CD1-CD2 3.79Å
499	Q	88.9	Confident	87	Confident	47 Å²	47	76.8 Å²	76.8	22%	0.22	38%	0.384	C	S	.	.	H	α-helix	trans	-63.1	-40.2	175.5	-168.3	-178.2	67.3	0	0	111.8	Y495 L496 T497 L502 R503 F558	Y495-Q499 VanDerWaalsContact O-CB 3.31Å; Y495-Q499 WeakPolarHBondContact O-CB 3.34Å; Y495-Q499 PolarHBondContact O-N 2.86Å; L496-Q499 PolarHBondContact O-N 3.04Å; T497-Q499 VanDerWaalsContact C-N 3.34Å; T497-Q499 PolarHBondContact O-N 3.41Å; Q499-L502 PolarHBondContact O-N 3.04Å; Q499-R503 WeakPolarHBondContact O-CG 3.2Å; Q499-R503 PolarHBondContact O-N 2.9Å; Q499-F558 HydrophobicContact CB-CE2 3.95Å; Q499-F558 HydrophobicContact CG-CE2 4.37Å
500	C	90.7	Very high	87.4	Confident	64 Å²	64	75.8 Å²	75.8	43%	0.432	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-45.1	174.8	-68.2	0	0	0	0	111.6	L496 T497 L498 L502 R503 D504	L496-C500 WeakPolarHBondContact O-CB 3.43Å; L496-C500 PolarHBondContact O-N 2.97Å; L496-C500 PolarHBondContact O-SG 3.43Å; T497-C500 PolarHBondContact O-N 3.33Å; L498-C500 VanDerWaalsContact C-N 3.34Å; L498-C500 PolarHBondContact O-N 2.93Å; C500-L502 VanDerWaalsContact C-N 3.33Å; C500-L502 PolarHBondContact O-N 3.44Å; C500-R503 PolarHBondContact O-N 3.36Å; C500-D504 WeakPolarHBondContact O-CB 3.39Å; C500-D504 PolarHBondContact O-N 3.06Å
501	Q	88	Confident	87.7	Confident	88 Å²	88	75.8 Å²	75.8	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-41.9	175.6	-70.6	177.7	9.2	0	0	112.2	T497 L498 D504 A505	T497-Q501 WeakPolarHBondContact O-CG 3.41Å; T497-Q501 PolarHBondContact O-N 3.11Å; L498-Q501 PolarHBondContact O-N 3.03Å; Q501-D504 PolarHBondContact O-N 3.37Å; Q501-A505 WeakPolarHBondContact O-CB 3.13Å; Q501-A505 PolarHBondContact O-N 3.49Å
502	L	89.3	Confident	87.8	Confident	33 Å²	33	73.9 Å²	73.9	17%	0.173	37%	0.37	C	S	.	.	H	α-helix	trans	-63.9	-46.4	177.7	-175.7	62.3	0	0	0	111.8	L498 Q499 C500 D504 A505 E506 F551 A555 F558	L498-L502 WeakPolarHBondContact O-CB 3.33Å; L498-L502 PolarHBondContact O-N 2.93Å; Q499-L502 PolarHBondContact O-N 3.04Å; C500-L502 VanDerWaalsContact C-N 3.33Å; C500-L502 PolarHBondContact O-N 3.44Å; L502-D504 VanDerWaalsContact C-N 3.34Å; L502-D504 PolarHBondContact O-N 2.88Å; L502-A505 PolarHBondContact O-N 3.24Å; L502-E506 WeakPolarHBondContact O-CB 3.35Å; L502-E506 PolarHBondContact O-N 3.27Å; L502-F551 HydrophobicContact CD1-CD2 3.9Å; L502-F551 HydrophobicContact CD1-CE2 3.65Å; L502-F551 HydrophobicContact CD1-CZ 4.41Å; L502-A555 HydrophobicContact CD1-CB 4.05Å; L502-F558 HydrophobicContact CD2-CB 4.42Å; L502-F558 HydrophobicContact CD2-CD1 4.14Å; L502-F558 HydrophobicContact CD2-CG 4.14Å
503	R	91.2	Very high	87.7	Confident	149 Å²	149	70.5 Å²	70.5	56%	0.562	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-39.1	174.8	-75.4	178.6	176.5	172.2	3.1	112.5	Q499 C500 R507	Q499-R503 WeakPolarHBondContact O-CG 3.2Å; Q499-R503 PolarHBondContact O-N 2.9Å; C500-R503 PolarHBondContact O-N 3.36Å; R503-R507 VanDerWaalsContact O-CB 3.32Å; R503-R507 WeakPolarHBondContact O-CB 3.3Å; R503-R507 PolarHBondContact O-N 3.47Å
504	D	90.9	Very high	87.5	Confident	82 Å²	82	74.3 Å²	74.3	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-67.4	-39.3	175.9	-95.5	-2	0	0	0	112.2	C500 Q501 L502 K508	C500-D504 WeakPolarHBondContact O-CB 3.39Å; C500-D504 PolarHBondContact O-N 3.06Å; Q501-D504 PolarHBondContact O-N 3.37Å; L502-D504 VanDerWaalsContact C-N 3.34Å; L502-D504 PolarHBondContact O-N 2.88Å; D504-K508 WeakPolarHBondContact O-CB 3.43Å; D504-K508 WeakPolarHBondContact O-CD 3.35Å; D504-K508 WeakPolarHBondContact O-CG 3.36Å; D504-K508 PolarHBondContact O-N 2.87Å
505	A	87.9	Confident	87.3	Confident	10 Å²	10	78.3 Å²	78.3	8%	0.083	38%	0.381	C	S	.	.	H	α-helix	trans	-65.5	-45.4	174.5	0	0	0	0	0	111.4	Q501 L502 K508 L509 F551	Q501-A505 WeakPolarHBondContact O-CB 3.13Å; Q501-A505 PolarHBondContact O-N 3.49Å; L502-A505 PolarHBondContact O-N 3.24Å; A505-K508 PolarHBondContact O-N 3.28Å; A505-L509 WeakPolarHBondContact O-CB 3.23Å; A505-L509 PolarHBondContact O-N 3.11Å; A505-F551 HydrophobicContact CB-CB 4.14Å; A505-F551 HydrophobicContact CB-CD2 4.04Å
506	E	90.4	Very high	86.6	Confident	113 Å²	113	76 Å²	76	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-58	-48.5	174.5	-174.5	-175.7	-168.1	0	0	111.6	L502 K508 L509 S510 F551	L502-E506 WeakPolarHBondContact O-CB 3.35Å; L502-E506 PolarHBondContact O-N 3.27Å; E506-K508 PolarHBondContact O-N 3.25Å; E506-L509 PolarHBondContact O-N 2.88Å; E506-S510 WeakPolarHBondContact O-CB 3.33Å; E506-S510 PolarHBondContact O-N 3.45Å; E506-F551 HydrophobicContact CB-CD2 4.37Å; E506-F551 HydrophobicContact CB-CE2 3.97Å; E506-F551 HydrophobicContact CG-CE2 4.48Å
507	R	91.6	Very high	85.9	Confident	181 Å²	181	75.6 Å²	75.6	68%	0.683	37%	0.37	S	S	*	.	H	α-helix	trans	-60.1	-43.6	177.5	-176.1	179.5	179.2	-175.8	1.7	111.8	R503 C511	R503-R507 VanDerWaalsContact O-CB 3.32Å; R503-R507 WeakPolarHBondContact O-CB 3.3Å; R503-R507 PolarHBondContact O-N 3.47Å; R507-C511 WeakPolarHBondContact O-CB 3.37Å; R507-C511 PolarHBondContact O-N 3.38Å; R507-C511 PolarHBondContact O-SG 3.03Å
508	K	90.5	Very high	85.2	Confident	115 Å²	115	75.7 Å²	75.7	50%	0.5	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-42	176.1	-73.8	163.6	-171.3	161	0	111.3	D504 A505 E506 C511 A512 I547	D504-K508 WeakPolarHBondContact O-CB 3.43Å; D504-K508 WeakPolarHBondContact O-CD 3.35Å; D504-K508 WeakPolarHBondContact O-CG 3.36Å; D504-K508 PolarHBondContact O-N 2.87Å; A505-K508 PolarHBondContact O-N 3.28Å; E506-K508 PolarHBondContact O-N 3.25Å; K508-C511 PolarHBondContact O-N 2.95Å; K508-A512 WeakPolarHBondContact O-CB 3.49Å; K508-A512 PolarHBondContact O-N 2.83Å; K508-I547 HydrophobicContact CB-CD1 4.31Å; K508-I547 HydrophobicContact CB-CG1 4.5Å; K508-I547 HydrophobicContact CB-CG2 3.94Å
509	L	86.3	Confident	84.2	Confident	28 Å²	28	77.6 Å²	77.6	15%	0.147	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-47	178.7	-174.6	58.7	0	0	0	111.1	A505 E506 C511 A512 I513 R544 I547 C548 F551	A505-L509 WeakPolarHBondContact O-CB 3.23Å; A505-L509 PolarHBondContact O-N 3.11Å; E506-L509 PolarHBondContact O-N 2.88Å; L509-C511 PolarHBondContact O-N 3.47Å; L509-A512 PolarHBondContact O-N 3.01Å; L509-I513 HydrophobicContact CD1-CD1 4.17Å; L509-I513 HydrophobicContact CD1-CG1 4.44Å; L509-I513 HydrophobicContact CG-CD1 3.95Å; L509-I513 WeakPolarHBondContact O-CG1 3.37Å; L509-I513 PolarHBondContact O-N 3.47Å; L509-R544 HydrophobicContact CD1-CG 4.47Å; L509-I547 HydrophobicContact CB-CG2 3.75Å; L509-I547 HydrophobicContact CD1-CG2 4.13Å; L509-C548 HydrophobicContact CD1-CB 4.36Å; L509-F551 HydrophobicContact CD2-CB 4.47Å; L509-F551 HydrophobicContact CD2-CD1 4.17Å; L509-F551 HydrophobicContact CD2-CG 4.24Å
510	S	87.2	Confident	82.9	Confident	74 Å²	74	76.8 Å²	76.8	52%	0.517	38%	0.382	S	S	.	.	H	α-helix	trans	-58	-44.6	175	-179.7	0	0	0	0	112	E506 A512 I513 R514	E506-S510 WeakPolarHBondContact O-CB 3.33Å; E506-S510 PolarHBondContact O-N 3.45Å; S510-A512 PolarHBondContact O-N 2.93Å; S510-I513 PolarHBondContact O-N 3.07Å; S510-R514 WeakPolarHBondContact O-CB 3.43Å; S510-R514 PolarHBondContact O-N 3.26Å
511	C	88.7	Confident	81.4	Confident	69 Å²	69	79.6 Å²	79.6	47%	0.466	39%	0.389	S	S	.	.	H	α-helix	trans	-62	-43.6	174.3	-67.7	0	0	0	0	112.5	R507 K508 L509 R514 L515	R507-C511 WeakPolarHBondContact O-CB 3.37Å; R507-C511 PolarHBondContact O-N 3.38Å; R507-C511 PolarHBondContact O-SG 3.03Å; K508-C511 PolarHBondContact O-N 2.95Å; L509-C511 PolarHBondContact O-N 3.47Å; C511-R514 PolarHBondContact O-N 2.91Å; C511-L515 WeakPolarHBondContact O-CG 3.26Å; C511-L515 PolarHBondContact O-N 2.99Å
512	A	82.9	Confident	79.5	Confident	7 Å²	7	84.8 Å²	84.8	6%	0.058	41%	0.406	C	S	.	.	H	α-helix	trans	-66.4	-38.3	178.6	0	0	0	0	0	112.7	K508 L509 S510 C516 R544 I547	K508-A512 WeakPolarHBondContact O-CB 3.49Å; K508-A512 PolarHBondContact O-N 2.83Å; L509-A512 PolarHBondContact O-N 3.01Å; S510-A512 PolarHBondContact O-N 2.93Å; A512-C516 PolarHBondContact O-N 2.86Å; A512-C516 PolarHBondContact O-SG 3.48Å; A512-R544 HydrophobicContact CB-CB 4.32Å; A512-R544 HydrophobicContact CB-CG 4.37Å; A512-I547 HydrophobicContact CB-CD1 4.27Å
513	I	80.9	Confident	77.4	Confident	59 Å²	59	86.2 Å²	86.2	30%	0.303	42%	0.416	S	S	.	.	H	α-helix	trans	-65.2	-45.5	173.6	-69.2	167.9	0	0	0	110.2	L509 S510 L515 C516 Q517	L509-I513 HydrophobicContact CD1-CD1 4.17Å; L509-I513 HydrophobicContact CD1-CG1 4.44Å; L509-I513 HydrophobicContact CG-CD1 3.95Å; L509-I513 WeakPolarHBondContact O-CG1 3.37Å; L509-I513 PolarHBondContact O-N 3.47Å; S510-I513 PolarHBondContact O-N 3.07Å; I513-L515 VanDerWaalsContact C-N 3.34Å; I513-L515 PolarHBondContact O-N 3.25Å; I513-C516 CarbonylContact O-C 3.46Å; I513-C516 WeakPolarHBondContact O-CA 3.41Å; I513-C516 WeakPolarHBondContact O-CB 3.31Å; I513-C516 PolarHBondContact O-N 3.17Å; I513-C516 VanDerWaalsContact O-N 3.09Å; I513-Q517 HydrophobicContact CG2-CG 4.41Å; I513-Q517 WeakPolarHBondContact O-CG 3.3Å; I513-Q517 PolarHBondContact O-N 3.26Å
514	R	82.7	Confident	75.3	Confident	168 Å²	168	84.5 Å²	84.5	63%	0.634	41%	0.414	S	S	*	.	H	α-helix	trans	-62	-38.7	177.5	-171	176.6	179.9	-176.4	1	112.7	S510 C511 Q517 I518	S510-R514 WeakPolarHBondContact O-CB 3.43Å; S510-R514 PolarHBondContact O-N 3.26Å; C511-R514 PolarHBondContact O-N 2.91Å; R514-Q517 PolarHBondContact O-N 3.28Å; R514-I518 HydrophobicContact CG-CD1 4.11Å; R514-I518 VanDerWaalsContact O-CG1 3.29Å; R514-I518 WeakPolarHBondContact O-CG1 3.49Å; R514-I518 PolarHBondContact O-N 2.96Å
515	L	79.6	Confident	72.9	Confident	101 Å²	101	83.2 Å²	83.2	53%	0.529	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-41.2	172.1	-72.7	171.1	0	0	0	111.9	C511 I513 C519	C511-L515 WeakPolarHBondContact O-CG 3.26Å; C511-L515 PolarHBondContact O-N 2.99Å; I513-L515 VanDerWaalsContact C-N 3.34Å; I513-L515 PolarHBondContact O-N 3.25Å; L515-C519 VanDerWaalsContact O-CB 3.28Å; L515-C519 WeakPolarHBondContact O-CB 3.3Å; L515-C519 PolarHBondContact O-N 3.04Å
516	C	70.8	Confident	70.5	Confident	19 Å²	19	84.1 Å²	84.1	13%	0.128	42%	0.417	C	S	.	.	H	α-helix	trans	-61.7	-41.7	172.5	-66.7	0	0	0	0	112.1	A512 I513 C519 S520 F528	A512-C516 PolarHBondContact O-N 2.86Å; A512-C516 PolarHBondContact O-SG 3.48Å; I513-C516 CarbonylContact O-C 3.46Å; I513-C516 WeakPolarHBondContact O-CA 3.41Å; I513-C516 WeakPolarHBondContact O-CB 3.31Å; I513-C516 PolarHBondContact O-N 3.17Å; I513-C516 VanDerWaalsContact O-N 3.09Å; C516-C519 PolarHBondContact O-N 2.8Å; C516-S520 WeakPolarHBondContact O-CB 3.38Å; C516-S520 PolarHBondContact O-N 3.15Å; C516-S520 PolarHBondContact O-OG 3.24Å; C516-F528 HydrophobicContact CB-CE2 4.48Å; C516-F528 HydrophobicContact CB-CZ 4.12Å
517	Q	72.8	Confident	68.2	Low	86 Å²	86	80.8 Å²	80.8	40%	0.402	41%	0.413	S	S	.	.	H	α-helix	trans	-62	-54.3	177.3	-73.9	168.3	-25.1	0	0	111.1	I513 R514 C519 S520 E521 F528	I513-Q517 HydrophobicContact CG2-CG 4.41Å; I513-Q517 WeakPolarHBondContact O-CG 3.3Å; I513-Q517 PolarHBondContact O-N 3.26Å; R514-Q517 PolarHBondContact O-N 3.28Å; Q517-C519 VanDerWaalsContact C-N 3.27Å; Q517-C519 PolarHBondContact O-N 2.95Å; Q517-S520 WeakPolarHBondContact CA-OG 3.44Å; Q517-S520 CarbonylContact O-C 3.5Å; Q517-S520 WeakPolarHBondContact O-CA 3.45Å; Q517-S520 PolarHBondContact O-N 3.27Å; Q517-S520 PolarHBondContact O-OG 3.41Å; Q517-E521 WeakPolarHBondContact O-CG 3.41Å; Q517-E521 PolarHBondContact O-N 2.91Å; Q517-F528 HydrophobicContact CG-CE2 4.24Å
518	I	71.9	Confident	65.7	Low	66 Å²	66	76.7 Å²	76.7	34%	0.338	40%	0.4	S	S	.	.	H	α-helix	trans	-54.9	-44.5	176.1	-66.5	164.5	0	0	0	110.6	R514 S520 E521 Y522	R514-I518 HydrophobicContact CG-CD1 4.11Å; R514-I518 VanDerWaalsContact O-CG1 3.29Å; R514-I518 WeakPolarHBondContact O-CG1 3.49Å; R514-I518 PolarHBondContact O-N 2.96Å; I518-S520 PolarHBondContact O-N 2.83Å; I518-E521 PolarHBondContact O-N 2.94Å; I518-Y522 HydrophobicContact CG2-CD2 3.79Å; I518-Y522 HydrophobicContact CG2-CE2 4.03Å; I518-Y522 WeakPolarHBondContact O-CB 3.41Å; I518-Y522 WeakPolarHBondContact O-CD2 3.39Å; I518-Y522 PolarHBondContact O-N 3.37Å
519	C	64.4	Low	63.4	Low	71 Å²	71	74.3 Å²	74.3	48%	0.48	40%	0.397	S	S	.	.	H	α-helix	trans	-62.8	-40.1	176.5	-170.6	0	0	0	0	112.4	L515 C516 Q517 T523	L515-C519 VanDerWaalsContact O-CB 3.28Å; L515-C519 WeakPolarHBondContact O-CB 3.3Å; L515-C519 PolarHBondContact O-N 3.04Å; C516-C519 PolarHBondContact O-N 2.8Å; Q517-C519 VanDerWaalsContact C-N 3.27Å; Q517-C519 PolarHBondContact O-N 2.95Å; C519-T523 WeakPolarHBondContact O-CB 3.46Å; C519-T523 WeakPolarHBondContact O-CG2 3.35Å; C519-T523 PolarHBondContact O-N 3.47Å; C519-T523 PolarHBondContact O-OG1 3.13Å
520	S	62	Low	61.1	Low	30 Å²	30	83 Å²	83	21%	0.21	44%	0.436	C	S	.	.	H	α-helix	trans	-69.2	-35.8	177.6	70.6	0	0	0	0	112.8	C516 Q517 I518 T523 H524 S525	C516-S520 WeakPolarHBondContact O-CB 3.38Å; C516-S520 PolarHBondContact O-N 3.15Å; C516-S520 PolarHBondContact O-OG 3.24Å; Q517-S520 WeakPolarHBondContact CA-OG 3.44Å; Q517-S520 CarbonylContact O-C 3.5Å; Q517-S520 WeakPolarHBondContact O-CA 3.45Å; Q517-S520 PolarHBondContact O-N 3.27Å; Q517-S520 PolarHBondContact O-OG 3.41Å; I518-S520 PolarHBondContact O-N 2.83Å; S520-T523 WeakPolarHBondContact CA-OG1 3.44Å; S520-T523 PolarHBondContact O-OG1 3.4Å; S520-H524 WeakPolarHBondContact O-CA 3.32Å; S520-H524 PolarHBondContact O-N 3.28Å; S520-H524 VanDerWaalsContact O-N 3.09Å; S520-S525 PolarHBondContact O-N 3.4Å
521	E	59.2	Low	59.2	Low	123 Å²	123	86.3 Å²	86.3	58%	0.575	45%	0.448	S	S	*	.	H	α-helix	trans	-66.4	-48.9	174.1	-71.9	167.7	-169.1	0	0	110.9	Q517 I518 T523 H524	Q517-E521 WeakPolarHBondContact O-CG 3.41Å; Q517-E521 PolarHBondContact O-N 2.91Å; I518-E521 PolarHBondContact O-N 2.94Å; E521-T523 VanDerWaalsContact C-N 3.28Å; E521-T523 PolarHBondContact O-N 3.47Å; E521-H524 PolarHBondContact O-CE1 2.96Å; E521-H524 PolarHBondContact O-N 3.27Å; E521-H524 PolarHBondContact O-ND1 3.41Å
522	Y	48	Very low	57.7	Low	197 Å²	197	83.3 Å²	83.3	77%	0.773	43%	0.429	S	S	*	.	H	α-helix	trans	-64.9	-26.9	177.2	-96.3	-83.9	0	0	0	114.3	I518	I518-Y522 HydrophobicContact CG2-CD2 3.79Å; I518-Y522 HydrophobicContact CG2-CE2 4.03Å; I518-Y522 WeakPolarHBondContact O-CB 3.41Å; I518-Y522 WeakPolarHBondContact O-CD2 3.39Å; I518-Y522 PolarHBondContact O-N 3.37Å
523	T	45.5	Very low	56.7	Low	63 Å²	63	86.1 Å²	86.1	39%	0.387	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.8	174.8	50.2	0	0	0	0	112.7	C519 S520 E521 S525	C519-T523 WeakPolarHBondContact O-CB 3.46Å; C519-T523 WeakPolarHBondContact O-CG2 3.35Å; C519-T523 PolarHBondContact O-N 3.47Å; C519-T523 PolarHBondContact O-OG1 3.13Å; S520-T523 WeakPolarHBondContact CA-OG1 3.44Å; S520-T523 PolarHBondContact O-OG1 3.4Å; E521-T523 VanDerWaalsContact C-N 3.28Å; E521-T523 PolarHBondContact O-N 3.47Å; T523-S525 PolarHBondContact O-N 3.36Å; T523-S525 VanDerWaalsContact OG1-CB 3.31Å; T523-S525 WeakPolarHBondContact OG1-CB 3.28Å
524	H	46.5	Very low	56	Low	112 Å²	112	86.1 Å²	86.1	52%	0.519	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.1	35.8	-166.4	-63.3	-50.9	0	0	0	112.7	H50 S520 E521	H50-H524 AromaticContact NE2-CD2 3.61Å; S520-H524 WeakPolarHBondContact O-CA 3.32Å; S520-H524 PolarHBondContact O-N 3.28Å; S520-H524 VanDerWaalsContact O-N 3.09Å; E521-H524 PolarHBondContact O-CE1 2.96Å; E521-H524 PolarHBondContact O-N 3.27Å; E521-H524 PolarHBondContact O-ND1 3.41Å
525	S	40.3	Very low	55.2	Low	56 Å²	56	79.2 Å²	79.2	39%	0.392	43%	0.428	S	S	.	.			trans	-75.5	141.2	-171.3	-172.1	0	0	0	0	110.4	S520 T523 G527	S520-S525 PolarHBondContact O-N 3.4Å; T523-S525 PolarHBondContact O-N 3.36Å; T523-S525 VanDerWaalsContact OG1-CB 3.31Å; T523-S525 WeakPolarHBondContact OG1-CB 3.28Å; S525-G527 PolarHBondContact O-N 3.01Å
526	P	38.3	Very low	54.4	Low	28 Å²	28	75.7 Å²	75.7	18%	0.182	41%	0.409	C	S	.	.			trans	-77.7	83.6	-159	-23.1	41.1	0	0	0	114.1	W21 R47	W21-P526 HydrophobicContact CZ2-CB 3.95Å; W21-P526 HydrophobicContact CZ2-CG 3.72Å; R47-P526 HydrophobicContact CB-CB 4.38Å; R47-P526 HydrophobicContact CB-CG 3.82Å; R47-P526 HydrophobicContact CG-CG 4.47Å
527	G	41.5	Very low	53.9	Low	44 Å²	44	75.8 Å²	75.8	45%	0.454	41%	0.408	S	S	.	.			trans	72.8	164	177.7	0	0	0	0	0	113.4	S525 P529	S525-G527 PolarHBondContact O-N 3.01Å; G527-P529 WeakPolarHBondContact O-CD 3.29Å
528	F	39	Very low	53.6	Low	95 Å²	95	73.7 Å²	73.7	42%	0.417	40%	0.402	S	S	.	.			trans	-62.9	124.7	141.6	-92.5	-115.7	0	0	0	106	C516 Q517	C516-F528 HydrophobicContact CB-CE2 4.48Å; C516-F528 HydrophobicContact CB-CZ 4.12Å; Q517-F528 HydrophobicContact CG-CE2 4.24Å
529	P	42.8	Very low	53.4	Low	65 Å²	65	73.6 Å²	73.6	42%	0.422	41%	0.406	S	S	.	.			trans	-52.5	157.6	144	-12.7	27.3	0	0	0	107.2	G527 D531 G532	G527-P529 WeakPolarHBondContact O-CD 3.29Å; P529-D531 HydrophobicContact CB-CB 4.27Å; P529-D531 PolarHBondContact O-N 3.26Å; P529-G532 PolarHBondContact O-N 2.74Å
530	E	38.3	Very low	53.9	Low	210 Å²	210	71.9 Å²	71.9	98%	0.981	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.6	169.9	-65.1	176.5	158.3	0	0	110.8
531	D	47.8	Very low	54.4	Low	144 Å²	144	71.6 Å²	71.6	77%	0.77	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.1	172.4	-45.6	-46.1	0	0	0	116.5	P529	P529-D531 HydrophobicContact CB-CB 4.27Å; P529-D531 PolarHBondContact O-N 3.26Å
532	G	56.4	Low	55.2	Low	6 Å²	6	67.3 Å²	67.3	6%	0.062	37%	0.367	C	S	.	.			trans	70.3	-178.1	180	0	0	0	0	0	117.2	P529	P529-G532 PolarHBondContact O-N 2.74Å
533	C	62.9	Low	56.7	Low	65 Å²	65	63.2 Å²	63.2	44%	0.439	36%	0.355	S	S	.	.			trans	-67	135.1	174.2	172.2	0	0	0	0	111.6	Y541 R544	C533-Y541 WeakPolarHBondContact O-CD2 3.29Å; C533-Y541 WeakPolarHBondContact O-CE2 3.31Å; C533-R544 PolarHBondContact O-NH2 3.4Å
534	V	66.1	Low	58.4	Low	60 Å²	60	61.6 Å²	61.6	36%	0.364	34%	0.342	S	S	.	.			trans	-123.7	29.3	-177.6	-60.2	0	0	0	0	114.5	L19 I536 Y541	L19-V534 HydrophobicContact CD1-CG2 3.66Å; L19-V534 HydrophobicContact CD2-CG2 3.82Å; L19-V534 HydrophobicContact CG-CG2 4.41Å; V534-I536 PolarHBondContact O-N 2.92Å; V534-I536 VanDerWaalsContact O-N 3.14Å; V534-Y541 HydrophobicContact CB-CE2 4.2Å; V534-Y541 HydrophobicContact CG1-CE2 4.14Å
535	S	64.7	Low	60.1	Low	23 Å²	23	58.7 Å²	58.7	16%	0.161	33%	0.33	C	S	.	.			trans	-69.1	106.5	177.2	-177.1	0	0	0	0	111.7	D537 C538 Y541	S535-D537 PolarHBondContact O-N 3.44Å; S535-C538 WeakPolarHBondContact O-CB 3.4Å; S535-C538 PolarHBondContact O-N 3.43Å; S535-C538 VanDerWaalsContact O-N 3.09Å; S535-Y541 VanDerWaalsContact O-CB 3.29Å; S535-Y541 WeakPolarHBondContact O-CB 3.39Å
536	I	63.7	Low	62.1	Low	27 Å²	27	60.8 Å²	60.8	14%	0.138	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-1	177.2	68.1	168.7	0	0	0	114.1	V398 V534 Y541 F542	V398-I536 HydrophobicContact CB-CG1 4.43Å; V398-I536 HydrophobicContact CG2-CD1 4.38Å; V398-I536 HydrophobicContact CG2-CG1 3.51Å; V534-I536 PolarHBondContact O-N 2.92Å; V534-I536 VanDerWaalsContact O-N 3.14Å; I536-Y541 HydrophobicContact CG2-CD1 4.46Å; I536-Y541 HydrophobicContact CG2-CE1 4.11Å; I536-F542 HydrophobicContact CB-CE2 4.25Å; I536-F542 HydrophobicContact CB-CZ 4Å; I536-F542 HydrophobicContact CG2-CZ 4.25Å; I536-F542 VanDerWaalsContact O-CE2 3.3Å; I536-F542 WeakPolarHBondContact O-CE2 3.39Å
537	D	60.3	Low	64.3	Low	21 Å²	21	61.1 Å²	61.1	11%	0.112	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-14.1	168	-68.9	-19.5	0	0	0	111.3	Q396 R397 V398 S535 P539	Q396-D537 WeakPolarHBondContact CA-OD1 3.45Å; Q396-D537 HydrophobicContact CB-CB 3.92Å; Q396-D537 WeakPolarHBondContact CB-OD1 3.38Å; Q396-D537 HydrophobicContact CG-CB 4.35Å; Q396-D537 VanDerWaalsContact CG-O 3.27Å; Q396-D537 WeakPolarHBondContact CG-O 3.5Å; Q396-D537 PolarHBondContact OE1-O 3.3Å; Q396-D537 VanDerWaalsContact OE1-O 3.09Å; R397-D537 VanDerWaalsContact CA-OD1 3.26Å; R397-D537 WeakPolarHBondContact CA-OD1 3.33Å; R397-D537 PolarHBondContact N-OD1 3.39Å; V398-D537 VanDerWaalsContact CB-OD2 3.31Å; V398-D537 WeakPolarHBondContact CB-OD2 3.33Å; V398-D537 HydrophobicContact CG2-CB 4.14Å; V398-D537 WeakPolarHBondContact CG2-OD2 3.2Å; V398-D537 PolarHBondContact N-OD1 3.38Å; V398-D537 VanDerWaalsContact N-OD1 3.1Å; V398-D537 PolarHBondContact N-OD2 2.88Å; V398-D537 VanDerWaalsContact N-OD2 3.07Å; S535-D537 PolarHBondContact O-N 3.44Å; D537-P539 WeakPolarHBondContact O-CD 3.47Å
538	C	65.5	Low	66.4	Low	41 Å²	41	61.6 Å²	61.6	28%	0.277	33%	0.332	S	S	.	.			trans	-80.8	119.3	179.6	-171.7	0	0	0	0	111.3	S535 V540 Y541	S535-C538 WeakPolarHBondContact O-CB 3.4Å; S535-C538 PolarHBondContact O-N 3.43Å; S535-C538 VanDerWaalsContact O-N 3.09Å; C538-V540 PolarHBondContact O-N 3.41Å; C538-Y541 WeakPolarHBondContact O-CB 3.48Å; C538-Y541 PolarHBondContact O-N 3.47Å
539	P	69.2	Low	68.5	Low	65 Å²	65	62 Å²	62	42%	0.422	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-31	175.1	24.8	-33.4	0	0	0	112	D537 Y541 Q543	D537-P539 WeakPolarHBondContact O-CD 3.47Å; P539-Y541 PolarHBondContact O-N 3.47Å; P539-Q543 WeakPolarHBondContact O-CB 3.34Å; P539-Q543 VanDerWaalsContact O-CG 3.3Å; P539-Q543 WeakPolarHBondContact O-CG 3.27Å; P539-Q543 PolarHBondContact O-N 2.9Å; P539-Q543 VanDerWaalsContact O-N 3.08Å
540	V	73	Confident	70.5	Confident	35 Å²	35	63.7 Å²	63.7	21%	0.212	34%	0.344	C	S	.	.	H	α-helix	trans	-65.6	-26.6	176.2	-170.7	0	0	0	0	111.7	C538 R544	C538-V540 PolarHBondContact O-N 3.41Å; V540-R544 WeakPolarHBondContact O-CB 3.25Å; V540-R544 PolarHBondContact O-N 3.36Å
541	Y	72.9	Confident	72.8	Confident	23 Å²	23	56.5 Å²	56.5	9%	0.09	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-53.4	177.6	175.7	-113	0	0	0	111.6	V434 C533 V534 S535 I536 C538 P539 R544 L545	V434-Y541 HydrophobicContact CG1-CE1 4.33Å; V434-Y541 WeakPolarHBondContact CG1-OH 3.38Å; C533-Y541 WeakPolarHBondContact O-CD2 3.29Å; C533-Y541 WeakPolarHBondContact O-CE2 3.31Å; V534-Y541 HydrophobicContact CB-CE2 4.2Å; V534-Y541 HydrophobicContact CG1-CE2 4.14Å; S535-Y541 VanDerWaalsContact O-CB 3.29Å; S535-Y541 WeakPolarHBondContact O-CB 3.39Å; I536-Y541 HydrophobicContact CG2-CD1 4.46Å; I536-Y541 HydrophobicContact CG2-CE1 4.11Å; C538-Y541 WeakPolarHBondContact O-CB 3.48Å; C538-Y541 PolarHBondContact O-N 3.47Å; P539-Y541 PolarHBondContact O-N 3.47Å; Y541-R544 PolarHBondContact O-N 3.18Å; Y541-L545 HydrophobicContact CD1-CD1 4.21Å; Y541-L545 HydrophobicContact CE1-CD1 3.73Å; Y541-L545 HydrophobicContact CE2-CD1 4.19Å; Y541-L545 HydrophobicContact CE2-CG 4.49Å; Y541-L545 WeakPolarHBondContact O-CG 3.41Å; Y541-L545 PolarHBondContact O-N 2.89Å; Y541-L545 VanDerWaalsContact O-N 3.07Å
542	F	76.3	Confident	74.7	Confident	33 Å²	33	52.8 Å²	52.8	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-68.3	-37.6	177.4	-64.1	-80.3	0	0	0	112.3	F394 V434 I536 R544 L545 L546	F394-F542 AromaticContact CE1-CD2 3.57Å; F394-F542 HydrophobicContact CE1-CD2 3.57Å; F394-F542 AromaticContact CE1-CE2 3.52Å; F394-F542 HydrophobicContact CE1-CE2 3.52Å; F394-F542 HydrophobicContact CE1-CG 4.28Å; F394-F542 HydrophobicContact CE1-CZ 4.21Å; F394-F542 HydrophobicContact CZ-CB 4.42Å; F394-F542 HydrophobicContact CZ-CD1 4.35Å; F394-F542 AromaticContact CZ-CD2 3.66Å; F394-F542 HydrophobicContact CZ-CD2 3.66Å; F394-F542 AromaticContact CZ-CE2 3.9Å; F394-F542 HydrophobicContact CZ-CE2 3.9Å; F394-F542 AromaticContact CZ-CG 3.89Å; F394-F542 HydrophobicContact CZ-CG 3.89Å; F394-F542 HydrophobicContact CZ-CZ 4.34Å; V434-F542 HydrophobicContact CG2-CD1 4.17Å; V434-F542 HydrophobicContact CG2-CE1 3.67Å; I536-F542 HydrophobicContact CB-CE2 4.25Å; I536-F542 HydrophobicContact CB-CZ 4Å; I536-F542 HydrophobicContact CG2-CZ 4.25Å; I536-F542 VanDerWaalsContact O-CE2 3.3Å; I536-F542 WeakPolarHBondContact O-CE2 3.39Å; F542-R544 VanDerWaalsContact C-N 3.33Å; F542-R544 PolarHBondContact O-N 2.94Å; F542-L545 PolarHBondContact O-N 2.99Å; F542-L546 WeakPolarHBondContact O-CG 3.38Å; F542-L546 PolarHBondContact O-N 3.21Å
543	Q	79.5	Confident	76	Confident	111 Å²	111	54.6 Å²	54.6	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-44.3	172.9	-74.3	175.3	-16.9	0	0	111.4	P539 L545 L546 I547	P539-Q543 WeakPolarHBondContact O-CB 3.34Å; P539-Q543 VanDerWaalsContact O-CG 3.3Å; P539-Q543 WeakPolarHBondContact O-CG 3.27Å; P539-Q543 PolarHBondContact O-N 2.9Å; P539-Q543 VanDerWaalsContact O-N 3.08Å; Q543-L545 PolarHBondContact O-N 2.63Å; Q543-L546 PolarHBondContact O-N 3.33Å; Q543-I547 WeakPolarHBondContact O-CB 3.47Å; Q543-I547 WeakPolarHBondContact O-CD1 3.16Å; Q543-I547 WeakPolarHBondContact O-CG1 3.36Å; Q543-I547 PolarHBondContact O-N 2.97Å
544	R	81.5	Confident	76.9	Confident	30 Å²	30	52.3 Å²	52.3	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-41.2	177	-174.7	-173.1	65.2	178	-0.5	111.9	L509 A512 C533 V540 Y541 F542 I547 C548	L509-R544 HydrophobicContact CD1-CG 4.47Å; A512-R544 HydrophobicContact CB-CB 4.32Å; A512-R544 HydrophobicContact CB-CG 4.37Å; C533-R544 PolarHBondContact O-NH2 3.4Å; V540-R544 WeakPolarHBondContact O-CB 3.25Å; V540-R544 PolarHBondContact O-N 3.36Å; Y541-R544 PolarHBondContact O-N 3.18Å; F542-R544 VanDerWaalsContact C-N 3.33Å; F542-R544 PolarHBondContact O-N 2.94Å; R544-I547 PolarHBondContact O-N 2.84Å; R544-C548 VanDerWaalsContact O-CB 3.3Å; R544-C548 WeakPolarHBondContact O-CB 3.47Å; R544-C548 PolarHBondContact O-N 3.08Å
545	L	81.1	Confident	77.9	Confident	51 Å²	51	51 Å²	51	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-52.3	174.8	-69.6	171.2	0	0	0	111.1	V434 Y541 F542 Q543 I547 C548 D549	V434-L545 HydrophobicContact CB-CD1 4.43Å; V434-L545 HydrophobicContact CG1-CD1 3.58Å; V434-L545 HydrophobicContact CG2-CD1 3.97Å; Y541-L545 HydrophobicContact CD1-CD1 4.21Å; Y541-L545 HydrophobicContact CE1-CD1 3.73Å; Y541-L545 HydrophobicContact CE2-CD1 4.19Å; Y541-L545 HydrophobicContact CE2-CG 4.49Å; Y541-L545 WeakPolarHBondContact O-CG 3.41Å; Y541-L545 PolarHBondContact O-N 2.89Å; Y541-L545 VanDerWaalsContact O-N 3.07Å; F542-L545 PolarHBondContact O-N 2.99Å; Q543-L545 PolarHBondContact O-N 2.63Å; L545-I547 VanDerWaalsContact C-N 3.32Å; L545-I547 PolarHBondContact O-N 2.86Å; L545-C548 WeakPolarHBondContact O-CA 3.37Å; L545-C548 WeakPolarHBondContact O-CB 3.31Å; L545-C548 PolarHBondContact O-N 3.39Å; L545-D549 PolarHBondContact O-N 3.4Å
546	L	83	Confident	78.9	Confident	99 Å²	99	56.2 Å²	56.2	52%	0.518	31%	0.307	S	S	.	.	H	α-helix	trans	-59.7	-39.1	178	-70.2	168.2	0	0	0	112.8	F542 Q543 N550	F542-L546 WeakPolarHBondContact O-CG 3.38Å; F542-L546 PolarHBondContact O-N 3.21Å; Q543-L546 PolarHBondContact O-N 3.33Å; L546-N550 WeakPolarHBondContact O-CB 3.01Å; L546-N550 PolarHBondContact O-N 2.94Å; L546-N550 PolarHBondContact O-ND2 3.42Å; L546-N550 VanDerWaalsContact O-ND2 3.11Å
547	I	85.1	Confident	79.7	Confident	36 Å²	36	59.4 Å²	59.4	19%	0.185	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-38.3	175.7	-68.4	162	0	0	0	110.7	K508 L509 A512 Q543 R544 L545 F551	K508-I547 HydrophobicContact CB-CD1 4.31Å; K508-I547 HydrophobicContact CB-CG1 4.5Å; K508-I547 HydrophobicContact CB-CG2 3.94Å; L509-I547 HydrophobicContact CB-CG2 3.75Å; L509-I547 HydrophobicContact CD1-CG2 4.13Å; A512-I547 HydrophobicContact CB-CD1 4.27Å; Q543-I547 WeakPolarHBondContact O-CB 3.47Å; Q543-I547 WeakPolarHBondContact O-CD1 3.16Å; Q543-I547 WeakPolarHBondContact O-CG1 3.36Å; Q543-I547 PolarHBondContact O-N 2.97Å; R544-I547 PolarHBondContact O-N 2.84Å; L545-I547 VanDerWaalsContact C-N 3.32Å; L545-I547 PolarHBondContact O-N 2.86Å; I547-F551 WeakPolarHBondContact O-CB 3.4Å; I547-F551 PolarHBondContact O-N 3.24Å
548	C	85.2	Confident	80.8	Confident	53 Å²	53	60.1 Å²	60.1	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-47	175.9	-166.8	0	0	0	0	111.6	L509 R544 L545 N550 F551 V552	L509-C548 HydrophobicContact CD1-CB 4.36Å; R544-C548 VanDerWaalsContact O-CB 3.3Å; R544-C548 WeakPolarHBondContact O-CB 3.47Å; R544-C548 PolarHBondContact O-N 3.08Å; L545-C548 WeakPolarHBondContact O-CA 3.37Å; L545-C548 WeakPolarHBondContact O-CB 3.31Å; L545-C548 PolarHBondContact O-N 3.39Å; C548-N550 PolarHBondContact O-N 2.9Å; C548-F551 PolarHBondContact O-N 2.89Å; C548-V552 WeakPolarHBondContact O-CG2 3.49Å; C548-V552 PolarHBondContact O-N 3.38Å
549	D	83.6	Confident	81.7	Confident	105 Å²	105	63.5 Å²	63.5	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-60.9	-44	177	-68	-25.3	0	0	0	111.4	L545 V552 A553	L545-D549 PolarHBondContact O-N 3.4Å; D549-V552 PolarHBondContact O-N 2.75Å; D549-A553 WeakPolarHBondContact O-CB 3.38Å; D549-A553 PolarHBondContact O-N 3.29Å
550	N	84.5	Confident	82.2	Confident	99 Å²	99	66.3 Å²	66.3	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-42.3	175.2	-73.5	-26	0	0	0	112.1	L546 C548 A553 S554	L546-N550 WeakPolarHBondContact O-CB 3.01Å; L546-N550 PolarHBondContact O-N 2.94Å; L546-N550 PolarHBondContact O-ND2 3.42Å; L546-N550 VanDerWaalsContact O-ND2 3.11Å; C548-N550 PolarHBondContact O-N 2.9Å; N550-A553 PolarHBondContact O-N 3.33Å; N550-S554 PolarHBondContact O-N 3.24Å; N550-S554 PolarHBondContact O-OG 3.06Å
551	F	87.3	Confident	82.4	Confident	60 Å²	60	65 Å²	65	26%	0.263	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-44.8	176	175.2	-100.1	0	0	0	111.6	L502 A505 E506 L509 I547 C548 A553 S554 A555	L502-F551 HydrophobicContact CD1-CD2 3.9Å; L502-F551 HydrophobicContact CD1-CE2 3.65Å; L502-F551 HydrophobicContact CD1-CZ 4.41Å; A505-F551 HydrophobicContact CB-CB 4.14Å; A505-F551 HydrophobicContact CB-CD2 4.04Å; E506-F551 HydrophobicContact CB-CD2 4.37Å; E506-F551 HydrophobicContact CB-CE2 3.97Å; E506-F551 HydrophobicContact CG-CE2 4.48Å; L509-F551 HydrophobicContact CD2-CB 4.47Å; L509-F551 HydrophobicContact CD2-CD1 4.17Å; L509-F551 HydrophobicContact CD2-CG 4.24Å; I547-F551 WeakPolarHBondContact O-CB 3.4Å; I547-F551 PolarHBondContact O-N 3.24Å; C548-F551 PolarHBondContact O-N 2.89Å; F551-A553 VanDerWaalsContact C-N 3.34Å; F551-A553 PolarHBondContact O-N 3.09Å; F551-S554 PolarHBondContact O-N 3.38Å; F551-A555 VanDerWaalsContact O-CB 3.25Å; F551-A555 WeakPolarHBondContact O-CB 3.33Å; F551-A555 PolarHBondContact O-N 3.42Å
552	V	86.1	Confident	82.8	Confident	65 Å²	65	64.9 Å²	64.9	39%	0.394	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-37.6	175.8	173.2	0	0	0	0	111.7	C548 D549 K556	C548-V552 WeakPolarHBondContact O-CG2 3.49Å; C548-V552 PolarHBondContact O-N 3.38Å; D549-V552 PolarHBondContact O-N 2.75Å; V552-K556 HydrophobicContact CG1-CD 4.48Å; V552-K556 WeakPolarHBondContact O-CG 3.22Å; V552-K556 PolarHBondContact O-N 3.23Å; V552-K556 VanDerWaalsContact O-N 3.09Å
553	A	84.2	Confident	83	Confident	44 Å²	44	67.5 Å²	67.5	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-66.6	-49.4	175.9	0	0	0	0	0	112.1	D549 N550 F551 A555 K556 Q557	D549-A553 WeakPolarHBondContact O-CB 3.38Å; D549-A553 PolarHBondContact O-N 3.29Å; N550-A553 PolarHBondContact O-N 3.33Å; F551-A553 VanDerWaalsContact C-N 3.34Å; F551-A553 PolarHBondContact O-N 3.09Å; A553-A555 VanDerWaalsContact C-N 3.32Å; A553-A555 PolarHBondContact O-N 3.09Å; A553-K556 PolarHBondContact O-N 3.17Å; A553-Q557 WeakPolarHBondContact O-CG 3.31Å; A553-Q557 PolarHBondContact O-N 3.24Å
554	S	83.1	Confident	82.8	Confident	17 Å²	17	65.7 Å²	65.7	12%	0.119	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-37.3	176.4	-64.2	0	0	0	0	112.3	N550 F551 Q557 F558	N550-S554 PolarHBondContact O-N 3.24Å; N550-S554 PolarHBondContact O-OG 3.06Å; F551-S554 PolarHBondContact O-N 3.38Å; S554-Q557 PolarHBondContact O-N 2.72Å; S554-F558 VanDerWaalsContact O-CB 3.27Å; S554-F558 WeakPolarHBondContact O-CB 3.33Å; S554-F558 PolarHBondContact O-N 3.19Å
555	A	86.8	Confident	82.4	Confident	34 Å²	34	66.3 Å²	66.3	28%	0.281	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-40.7	174.7	0	0	0	0	0	112.1	L502 F551 A553 Q559	L502-A555 HydrophobicContact CD1-CB 4.05Å; F551-A555 VanDerWaalsContact O-CB 3.25Å; F551-A555 WeakPolarHBondContact O-CB 3.33Å; F551-A555 PolarHBondContact O-N 3.42Å; A553-A555 VanDerWaalsContact C-N 3.32Å; A553-A555 PolarHBondContact O-N 3.09Å; A555-Q559 WeakPolarHBondContact O-CB 3.29Å; A555-Q559 PolarHBondContact O-N 3.39Å
556	K	85.3	Confident	82	Confident	132 Å²	132	70.3 Å²	70.3	57%	0.574	37%	0.368	S	S	*	.	H	α-helix	trans	-65.7	-43.8	174.5	-75.6	176.7	178.7	-176.6	0	112.7	V552 A553 F558 Q559 Q560	V552-K556 HydrophobicContact CG1-CD 4.48Å; V552-K556 WeakPolarHBondContact O-CG 3.22Å; V552-K556 PolarHBondContact O-N 3.23Å; V552-K556 VanDerWaalsContact O-N 3.09Å; A553-K556 PolarHBondContact O-N 3.17Å; K556-F558 VanDerWaalsContact C-N 3.34Å; K556-Q559 PolarHBondContact O-N 3.4Å; K556-Q560 WeakPolarHBondContact O-CG 3.39Å; K556-Q560 PolarHBondContact O-N 3.13Å
557	Q	81.2	Confident	81.2	Confident	93 Å²	93	69.9 Å²	69.9	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-42.3	176.6	-72	174.8	-38.7	0	0	111.6	L498 A553 S554 Q560 L561	L498-Q557 HydrophobicContact CD1-CB 4.43Å; L498-Q557 HydrophobicContact CD2-CB 4.27Å; A553-Q557 WeakPolarHBondContact O-CG 3.31Å; A553-Q557 PolarHBondContact O-N 3.24Å; S554-Q557 PolarHBondContact O-N 2.72Å; Q557-Q560 PolarHBondContact O-N 3.36Å; Q557-L561 PolarHBondContact O-N 3.19Å
558	F	83.4	Confident	79.8	Confident	37 Å²	37	73.7 Å²	73.7	16%	0.162	40%	0.399	C	S	.	.	H	α-helix	trans	-62.6	-43.8	174.8	-175	-97.4	0	0	0	111.4	Y495 L498 Q499 L502 S554 K556 L561 T562	Y495-F558 AromaticContact CD2-CE2 3.89Å; Y495-F558 HydrophobicContact CD2-CE2 3.89Å; Y495-F558 HydrophobicContact CD2-CZ 4.32Å; Y495-F558 HydrophobicContact CE1-CE2 4.41Å; Y495-F558 HydrophobicContact CE2-CD2 4.49Å; Y495-F558 HydrophobicContact CE2-CE1 4.45Å; Y495-F558 AromaticContact CE2-CE2 3.46Å; Y495-F558 HydrophobicContact CE2-CE2 3.46Å; Y495-F558 VanDerWaalsContact CE2-CE2 3.46Å; Y495-F558 AromaticContact CE2-CZ 3.45Å; Y495-F558 HydrophobicContact CE2-CZ 3.45Å; Y495-F558 VanDerWaalsContact CE2-CZ 3.45Å; Y495-F558 AromaticContact CZ-CE2 3.76Å; Y495-F558 AromaticContact CZ-CZ 3.61Å; L498-F558 HydrophobicContact CB-CD2 4.01Å; Q499-F558 HydrophobicContact CB-CE2 3.95Å; Q499-F558 HydrophobicContact CG-CE2 4.37Å; L502-F558 HydrophobicContact CD2-CB 4.42Å; L502-F558 HydrophobicContact CD2-CD1 4.14Å; L502-F558 HydrophobicContact CD2-CG 4.14Å; S554-F558 VanDerWaalsContact O-CB 3.27Å; S554-F558 WeakPolarHBondContact O-CB 3.33Å; S554-F558 PolarHBondContact O-N 3.19Å; K556-F558 VanDerWaalsContact C-N 3.34Å; F558-L561 PolarHBondContact O-N 2.94Å; F558-T562 HydrophobicContact CD1-CG2 4.39Å; F558-T562 HydrophobicContact CE1-CG2 4.04Å; F558-T562 HydrophobicContact CZ-CG2 4.3Å; F558-T562 PolarHBondContact O-N 3.38Å; F558-T562 PolarHBondContact O-OG1 2.95Å
559	Q	84	Confident	77.8	Confident	112 Å²	112	81.4 Å²	81.4	52%	0.523	43%	0.429	S	S	.	.	H	α-helix	trans	-61.3	-46.1	175.6	-174.5	177.3	-5.2	0	0	112.1	A555 K556 L561 T562 D563	A555-Q559 WeakPolarHBondContact O-CB 3.29Å; A555-Q559 PolarHBondContact O-N 3.39Å; K556-Q559 PolarHBondContact O-N 3.4Å; Q559-L561 VanDerWaalsContact C-N 3.31Å; Q559-L561 PolarHBondContact O-N 3.47Å; Q559-T562 VanDerWaalsContact CA-OG1 3.31Å; Q559-T562 WeakPolarHBondContact CA-OG1 3.3Å; Q559-T562 PolarHBondContact O-N 3.37Å; Q559-T562 PolarHBondContact O-OG1 2.92Å; Q559-D563 WeakPolarHBondContact O-CB 3.09Å; Q559-D563 PolarHBondContact O-N 3.27Å
560	Q	79.6	Confident	77.5	Confident	123 Å²	123	80.3 Å²	80.3	58%	0.575	42%	0.423	S	S	*	.	H	α-helix	trans	-58.3	-42.3	176.6	-74.5	173.1	-43.8	0	0	112	K556 Q557 D563 V564	K556-Q560 WeakPolarHBondContact O-CG 3.39Å; K556-Q560 PolarHBondContact O-N 3.13Å; Q557-Q560 PolarHBondContact O-N 3.36Å; Q560-D563 PolarHBondContact O-N 3.13Å; Q560-V564 WeakPolarHBondContact O-CG2 3.45Å; Q560-V564 PolarHBondContact O-N 2.83Å; Q560-V564 VanDerWaalsContact O-N 3.12Å
561	L	77.2	Confident	77.2	Confident	7 Å²	7	79.3 Å²	79.3	4%	0.037	42%	0.417	C	S	.	.	H	α-helix	trans	-67.3	-41.5	176.5	-176.1	64.6	0	0	0	111.7	M483 Y495 L498 Q557 F558 Q559 D563 V564 M565	M483-L561 HydrophobicContact CE-CD1 3.49Å; M483-L561 VanDerWaalsContact CE-CD1 3.49Å; M483-L561 HydrophobicContact SD-CD1 3.83Å; Y495-L561 VanDerWaalsContact CA-CD2 3.49Å; Y495-L561 HydrophobicContact CD2-CD2 4.43Å; L498-L561 HydrophobicContact CD1-CB 4.11Å; L498-L561 HydrophobicContact CD1-CD2 3.79Å; Q557-L561 PolarHBondContact O-N 3.19Å; F558-L561 PolarHBondContact O-N 2.94Å; Q559-L561 VanDerWaalsContact C-N 3.31Å; Q559-L561 PolarHBondContact O-N 3.47Å; L561-D563 VanDerWaalsContact C-N 3.34Å; L561-V564 PolarHBondContact O-N 3.44Å; L561-M565 HydrophobicContact CD1-CG 4.31Å; L561-M565 HydrophobicContact CD1-SD 4.31Å; L561-M565 HydrophobicContact CD2-SD 4.39Å; L561-M565 HydrophobicContact CG-CG 4.38Å; L561-M565 HydrophobicContact CG-SD 3.97Å; L561-M565 WeakPolarHBondContact O-CB 3.47Å; L561-M565 VanDerWaalsContact O-CG 3.29Å; L561-M565 WeakPolarHBondContact O-CG 3.36Å; L561-M565 PolarHBondContact O-N 2.79Å
562	T	81	Confident	76.6	Confident	21 Å²	21	80.3 Å²	80.3	13%	0.129	43%	0.426	C	S	.	.	H	α-helix	trans	-62.6	-42.1	174.7	48.2	0	0	0	0	111.8	Y495 F558 Q559 V564 M565 F566	Y495-T562 HydrophobicContact CD2-CG2 4.42Å; Y495-T562 HydrophobicContact CE2-CG2 3.83Å; F558-T562 HydrophobicContact CD1-CG2 4.39Å; F558-T562 HydrophobicContact CE1-CG2 4.04Å; F558-T562 HydrophobicContact CZ-CG2 4.3Å; F558-T562 PolarHBondContact O-N 3.38Å; F558-T562 PolarHBondContact O-OG1 2.95Å; Q559-T562 VanDerWaalsContact CA-OG1 3.31Å; Q559-T562 WeakPolarHBondContact CA-OG1 3.3Å; Q559-T562 PolarHBondContact O-N 3.37Å; Q559-T562 PolarHBondContact O-OG1 2.92Å; T562-V564 VanDerWaalsContact C-N 3.31Å; T562-V564 PolarHBondContact O-N 3.12Å; T562-M565 PolarHBondContact O-N 2.96Å; T562-F566 HydrophobicContact CG2-CE2 4.16Å; T562-F566 WeakPolarHBondContact O-CB 3.44Å; T562-F566 WeakPolarHBondContact O-CD2 3.18Å; T562-F566 PolarHBondContact O-N 2.88Å
563	D	80.5	Confident	76	Confident	88 Å²	88	81.2 Å²	81.2	47%	0.471	43%	0.428	S	S	.	.	H	α-helix	trans	-61.2	-41.4	179.9	-66.1	-15.8	0	0	0	110.5	Q559 Q560 L561 S567	Q559-D563 WeakPolarHBondContact O-CB 3.09Å; Q559-D563 PolarHBondContact O-N 3.27Å; Q560-D563 PolarHBondContact O-N 3.13Å; L561-D563 VanDerWaalsContact C-N 3.34Å; D563-S567 WeakPolarHBondContact O-CB 3.46Å; D563-S567 PolarHBondContact O-N 3.02Å; D563-S567 PolarHBondContact O-OG 2.88Å
564	V	75.6	Confident	75.5	Confident	73 Å²	73	83.6 Å²	83.6	44%	0.442	43%	0.432	S	S	.	.	H	α-helix	trans	-67.1	-41.7	174.5	172.6	0	0	0	0	112.7	Q560 L561 T562 F566 S567 T568	Q560-V564 WeakPolarHBondContact O-CG2 3.45Å; Q560-V564 PolarHBondContact O-N 2.83Å; Q560-V564 VanDerWaalsContact O-N 3.12Å; L561-V564 PolarHBondContact O-N 3.44Å; T562-V564 VanDerWaalsContact C-N 3.31Å; T562-V564 PolarHBondContact O-N 3.12Å; V564-F566 VanDerWaalsContact C-N 3.34Å; V564-S567 PolarHBondContact O-OG 3.32Å; V564-T568 PolarHBondContact O-OG1 3.2Å
565	M	73.3	Confident	75	Confident	44 Å²	44	88 Å²	88	22%	0.217	45%	0.452	C	S	.	.	H	α-helix	trans	-70.3	-27.6	179.4	-72.6	-179.3	71.7	0	0	113.2	P491 M492 Y495 L561 T562 T568	P491-M565 HydrophobicContact CB-CG 4.47Å; P491-M565 HydrophobicContact CB-SD 4.36Å; M492-M565 HydrophobicContact CE-CE 3.81Å; M492-M565 HydrophobicContact SD-CE 4.04Å; Y495-M565 HydrophobicContact CD2-SD 4.05Å; Y495-M565 HydrophobicContact CG-SD 4.42Å; L561-M565 HydrophobicContact CD1-CG 4.31Å; L561-M565 HydrophobicContact CD1-SD 4.31Å; L561-M565 HydrophobicContact CD2-SD 4.39Å; L561-M565 HydrophobicContact CG-CG 4.38Å; L561-M565 HydrophobicContact CG-SD 3.97Å; L561-M565 WeakPolarHBondContact O-CB 3.47Å; L561-M565 VanDerWaalsContact O-CG 3.29Å; L561-M565 WeakPolarHBondContact O-CG 3.36Å; L561-M565 PolarHBondContact O-N 2.79Å; T562-M565 PolarHBondContact O-N 2.96Å; M565-T568 PolarHBondContact O-OG1 3.36Å
566	F	72.4	Confident	74.2	Confident	134 Å²	134	91.9 Å²	91.9	59%	0.588	47%	0.465	S	S	*	.	H	α-helix	trans	-98.1	-18.8	178.5	-67.1	-60.7	0	0	0	113.8	T562 V564 T568	T562-F566 HydrophobicContact CG2-CE2 4.16Å; T562-F566 WeakPolarHBondContact O-CB 3.44Å; T562-F566 WeakPolarHBondContact O-CD2 3.18Å; T562-F566 PolarHBondContact O-N 2.88Å; V564-F566 VanDerWaalsContact C-N 3.34Å; F566-T568 PolarHBondContact O-N 3.36Å
567	S	66.3	Low	73.3	Confident	91 Å²	91	88.8 Å²	88.8	64%	0.636	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	0.7	171	69.2	0	0	0	0	114	D563 V564	D563-S567 WeakPolarHBondContact O-CB 3.46Å; D563-S567 PolarHBondContact O-N 3.02Å; D563-S567 PolarHBondContact O-OG 2.88Å; V564-S567 PolarHBondContact O-OG 3.32Å
568	T	55.4	Low	72.7	Confident	116 Å²	116	88.4 Å²	88.4	71%	0.712	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	14	176.5	39.5	0	0	0	0	113.1	V564 M565 F566	V564-T568 PolarHBondContact O-OG1 3.2Å; M565-T568 PolarHBondContact O-OG1 3.36Å; F566-T568 PolarHBondContact O-N 3.36Å
569	Q	43.6	Very low	71.7	Confident	215 Å²	215	93.1 Å²	93.1	100%	1.005	49%	0.485	S	S	*	.			trans	-110	0	165.2	-66.9	-171.7	-12.6	0	0	110.6

Retrieved 569 of 569 residues in 2113.3 ms (Link to these results)

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