A0A096NUP0_PAPAN Loading...

Protein transport protein SEC23

Component of the coat protein complex II (COPII) which promotes the formation of transport vesicles from the endoplasmic reticulum (ER). The coat has two main functions, the physical deformation of the endoplasmic reticulum membrane into vesicles and the selection of cargo molecules.

AlphaFold DB (A0A2J8V9H7), UniProt , Accession A0A096NUP0, Species PAPAN (Papio anubis, Olive baboon), Gene SEC23A, Length 765 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	42.1	Very low	86.6	Confident	239 Å²	239	91 Å²	91	100%	1.177	45%	0.451	S	S	*	.				0	116.5	0	-87.5	-176	-99.3	0	0	105.9
2	T	60	Low	87.5	Confident	86 Å²	86	85.2 Å²	85.2	53%	0.528	42%	0.422	S	S	.	.			trans	-66.9	129.4	176.5	-12.8	0	0	0	0	108.4	E6	T2-E6 VanDerWaalsContact CA-OE2 3.31Å; T2-E6 WeakPolarHBondContact CA-OE2 3.26Å; T2-E6 HydrophobicContact CG2-CB 3.78Å; T2-E6 WeakPolarHBondContact CG2-OE2 3.47Å
3	T	90.7	Very high	88.2	Confident	72 Å²	72	86.8 Å²	86.8	44%	0.442	43%	0.428	S	S	.	.			trans	-68.8	161.5	174.7	65.3	0	0	0	0	110.2	L5 E6 F7	T3-L5 PolarHBondContact O-N 3.19Å; T3-E6 PolarHBondContact N-OE2 3.01Å; T3-E6 PolarHBondContact O-N 3.22Å; T3-E6 VanDerWaalsContact OG1-CG 3.28Å; T3-E6 WeakPolarHBondContact OG1-CG 3.46Å; T3-E6 PolarHBondContact OG1-N 3.13Å; T3-F7 WeakPolarHBondContact O-CB 3.45Å; T3-F7 PolarHBondContact O-N 3.43Å
4	Y	92.4	Very high	88.7	Confident	94 Å²	94	86.4 Å²	86.4	37%	0.369	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-34.1	175.3	-85.9	-69.4	0	0	0	112.2	F7 I8 A515	Y4-F7 PolarHBondContact O-N 3.17Å; Y4-I8 WeakPolarHBondContact O-CB 3.47Å; Y4-I8 WeakPolarHBondContact O-CD1 3.49Å; Y4-I8 WeakPolarHBondContact O-CG1 3.41Å; Y4-I8 PolarHBondContact O-N 3.12Å; Y4-A515 HydrophobicContact CD2-CB 4.14Å; Y4-A515 WeakPolarHBondContact CD2-O 3.45Å; Y4-A515 HydrophobicContact CE2-CB 3.54Å; Y4-A515 WeakPolarHBondContact CE2-O 3.43Å
5	L	92.5	Very high	89.3	Confident	130 Å²	130	80.9 Å²	80.9	68%	0.681	39%	0.393	S	S	*	.	H	α-helix	trans	-62.9	-50.8	175.1	-68.1	174.8	0	0	0	111.4	T3 F7 I8 Q9	T3-L5 PolarHBondContact O-N 3.19Å; L5-F7 VanDerWaalsContact C-N 3.29Å; L5-F7 PolarHBondContact O-N 3.13Å; L5-I8 PolarHBondContact O-N 3.2Å; L5-Q9 PolarHBondContact O-N 2.99Å
6	E	95.1	Very high	89.8	Confident	86 Å²	86	76 Å²	76	40%	0.402	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-40	175.5	-71.8	168	177.7	0	0	111.7	T2 T3 Q9 Q10	T2-E6 VanDerWaalsContact CA-OE2 3.31Å; T2-E6 WeakPolarHBondContact CA-OE2 3.26Å; T2-E6 HydrophobicContact CG2-CB 3.78Å; T2-E6 WeakPolarHBondContact CG2-OE2 3.47Å; T3-E6 PolarHBondContact N-OE2 3.01Å; T3-E6 PolarHBondContact O-N 3.22Å; T3-E6 VanDerWaalsContact OG1-CG 3.28Å; T3-E6 WeakPolarHBondContact OG1-CG 3.46Å; T3-E6 PolarHBondContact OG1-N 3.13Å; E6-Q9 PolarHBondContact O-N 3.4Å; E6-Q10 WeakPolarHBondContact O-CB 3.35Å; E6-Q10 WeakPolarHBondContact O-CG 2.96Å; E6-Q10 PolarHBondContact O-N 3.24Å
7	F	96.3	Very high	90.3	Very high	64 Å²	64	71.6 Å²	71.6	28%	0.281	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-47.2	175.5	175.6	-90.3	0	0	0	111.4	T3 Y4 L5 N11 N22	T3-F7 WeakPolarHBondContact O-CB 3.45Å; T3-F7 PolarHBondContact O-N 3.43Å; Y4-F7 PolarHBondContact O-N 3.17Å; L5-F7 VanDerWaalsContact C-N 3.29Å; L5-F7 PolarHBondContact O-N 3.13Å; F7-N11 WeakPolarHBondContact CD2-ND2 3.25Å; F7-N11 VanDerWaalsContact CE2-ND2 3.32Å; F7-N11 WeakPolarHBondContact CE2-ND2 3.36Å; F7-N11 WeakPolarHBondContact CZ-ND2 3.46Å; F7-N11 WeakPolarHBondContact O-CB 3.47Å; F7-N11 PolarHBondContact O-N 3.42Å; F7-N11 PolarHBondContact O-ND2 3.29Å; F7-N22 HydrophobicContact CD1-CB 4.5Å; F7-N22 HydrophobicContact CE1-CB 3.95Å
8	I	96.7	Very high	90.8	Very high	16 Å²	16	68.7 Å²	68.7	8%	0.082	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-50.6	179.5	-73.3	165.8	0	0	0	110.1	Y4 L5 N11 E12 R18 D518	Y4-I8 WeakPolarHBondContact O-CB 3.47Å; Y4-I8 WeakPolarHBondContact O-CD1 3.49Å; Y4-I8 WeakPolarHBondContact O-CG1 3.41Å; Y4-I8 PolarHBondContact O-N 3.12Å; L5-I8 PolarHBondContact O-N 3.2Å; I8-N11 PolarHBondContact O-N 3.44Å; I8-E12 PolarHBondContact O-N 3.04Å; I8-R18 VanDerWaalsContact CG2-CD 3.47Å; I8-D518 HydrophobicContact CD1-CB 4.11Å; I8-D518 WeakPolarHBondContact CG2-OD2 3.31Å
9	Q	95.3	Very high	91.2	Very high	111 Å²	111	65.1 Å²	65.1	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-49.9	-179	-175.9	177.2	4.7	0	0	111.9	L5 E6 N11 E12 E13	L5-Q9 PolarHBondContact O-N 2.99Å; E6-Q9 PolarHBondContact O-N 3.4Å; Q9-N11 VanDerWaalsContact C-N 3.3Å; Q9-N11 PolarHBondContact O-N 3.25Å; Q9-E12 PolarHBondContact O-N 3.45Å; Q9-E13 HydrophobicContact CG-CG 4.45Å; Q9-E13 VanDerWaalsContact CG-OE1 3.29Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.45Å; Q9-E13 PolarHBondContact NE2-OE1 2.99Å; Q9-E13 WeakPolarHBondContact O-CG 3.17Å; Q9-E13 PolarHBondContact O-N 3.33Å
10	Q	95.7	Very high	91.6	Very high	96 Å²	96	61.9 Å²	61.9	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-36	179.8	-71.7	173.4	6.8	0	0	112.6	E6 R14	E6-Q10 WeakPolarHBondContact O-CB 3.35Å; E6-Q10 WeakPolarHBondContact O-CG 2.96Å; E6-Q10 PolarHBondContact O-N 3.24Å; Q10-R14 WeakPolarHBondContact O-CB 3.23Å; Q10-R14 PolarHBondContact O-N 3.24Å
11	N	96.3	Very high	91.9	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-71.5	-35.7	177.3	-83.2	-106.1	0	0	0	111.7	F7 I8 Q9 D15 R501	F7-N11 WeakPolarHBondContact CD2-ND2 3.25Å; F7-N11 VanDerWaalsContact CE2-ND2 3.32Å; F7-N11 WeakPolarHBondContact CE2-ND2 3.36Å; F7-N11 WeakPolarHBondContact CZ-ND2 3.46Å; F7-N11 WeakPolarHBondContact O-CB 3.47Å; F7-N11 PolarHBondContact O-N 3.42Å; F7-N11 PolarHBondContact O-ND2 3.29Å; I8-N11 PolarHBondContact O-N 3.44Å; Q9-N11 VanDerWaalsContact C-N 3.3Å; Q9-N11 PolarHBondContact O-N 3.25Å; N11-D15 WeakPolarHBondContact O-CA 3.41Å; N11-D15 WeakPolarHBondContact O-CB 3.48Å; N11-D15 PolarHBondContact O-N 2.9Å; N11-R501 PolarHBondContact OD1-NH1 3.46Å; N11-R501 VanDerWaalsContact OD1-NH1 3.17Å; N11-R501 PolarHBondContact OD1-NH2 3.16Å
12	E	97.4	Very high	94.6	Very high	21 Å²	21	47.9 Å²	47.9	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-69.5	-46.3	175.2	-178	170.4	-163.3	0	0	111.8	I8 Q9 R14 G16 R18	I8-E12 PolarHBondContact O-N 3.04Å; Q9-E12 PolarHBondContact O-N 3.45Å; E12-R14 VanDerWaalsContact C-N 3.33Å; E12-R14 PolarHBondContact O-N 3.47Å; E12-G16 WeakPolarHBondContact O-CA 3.46Å; E12-G16 PolarHBondContact O-N 2.91Å; E12-R18 HydrophobicContact CB-CG 3.96Å; E12-R18 VanDerWaalsContact CD-CG 3.43Å; E12-R18 HydrophobicContact CG-CG 3.9Å; E12-R18 WeakPolarHBondContact OE2-CD 3.46Å; E12-R18 WeakPolarHBondContact OE2-CG 3.39Å; E12-R18 IonicContact OE2-CZ 3.64Å; E12-R18 IonicContact OE2-NE 3.41Å; E12-R18 IonicContact OE2-NH1 3.67Å; E12-R18 PolarHBondContact OE2-NH1 3.09Å
13	E	95.7	Very high	96.4	Very high	107 Å²	107	44.3 Å²	44.3	50%	0.5	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-43.7	177.5	-73.1	174.6	-172.9	0	0	111.4	Q9 R48	Q9-E13 HydrophobicContact CG-CG 4.45Å; Q9-E13 VanDerWaalsContact CG-OE1 3.29Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.45Å; Q9-E13 PolarHBondContact NE2-OE1 2.99Å; Q9-E13 WeakPolarHBondContact O-CG 3.17Å; Q9-E13 PolarHBondContact O-N 3.33Å; E13-R48 VanDerWaalsContact O-CD 3.29Å; E13-R48 WeakPolarHBondContact O-CD 3.49Å
14	R	95.6	Very high	96.7	Very high	81 Å²	81	40.9 Å²	40.9	31%	0.306	19%	0.188	S	C	.	.	H	α-helix	trans	-77	-56.2	-179.2	-170.5	-176.6	61	-147.9	-9.4	112.1	Q10 E12 R48 S115	Q10-R14 WeakPolarHBondContact O-CB 3.23Å; Q10-R14 PolarHBondContact O-N 3.24Å; E12-R14 VanDerWaalsContact C-N 3.33Å; E12-R14 PolarHBondContact O-N 3.47Å; R14-R48 VanDerWaalsContact C-NH1 3.33Å; R14-R48 VanDerWaalsContact CA-NH1 3.26Å; R14-R48 VanDerWaalsContact CG-NH1 3.31Å; R14-R48 PolarHBondContact O-NH1 2.66Å; R14-S115 VanDerWaalsContact CD-OG 3.31Å; R14-S115 WeakPolarHBondContact CD-OG 3.06Å; R14-S115 PolarHBondContact NE-OG 2.71Å
15	D	97.7	Very high	96.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-102.4	-6.5	-164.4	-58.3	-43.5	0	0	0	113.3	N11 V17 S115 S116 T497 I499	N11-D15 WeakPolarHBondContact O-CA 3.41Å; N11-D15 WeakPolarHBondContact O-CB 3.48Å; N11-D15 PolarHBondContact O-N 2.9Å; D15-V17 VanDerWaalsContact C-N 3.26Å; D15-V17 HydrophobicContact CB-CG1 3.83Å; D15-V17 PolarHBondContact O-N 3.42Å; D15-S115 WeakPolarHBondContact OD1-CB 3.5Å; D15-S115 PolarHBondContact OD1-OG 2.84Å; D15-S116 WeakPolarHBondContact CA-OG 3.47Å; D15-S116 PolarHBondContact OD1-OG 3.11Å; D15-T497 HydrophobicContact CB-CG2 3.84Å; D15-I499 HydrophobicContact CB-CG2 4.11Å
16	G	97.9	Very high	96.9	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.021	14%	0.14	C	C	.	.	S	Bend	trans	64.4	31.1	-177.4	0	0	0	0	0	112.7	E12 F42 T43	E12-G16 WeakPolarHBondContact O-CA 3.46Å; E12-G16 PolarHBondContact O-N 2.91Å; G16-F42 WeakPolarHBondContact O-CA 3.29Å; G16-T43 PolarHBondContact O-N 2.88Å
17	V	98.5	Very high	96.8	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.4	-172.1	74.3	0	0	0	0	113.2	D15 F19 A40 L41 F42 I499	D15-V17 VanDerWaalsContact C-N 3.26Å; D15-V17 HydrophobicContact CB-CG1 3.83Å; D15-V17 PolarHBondContact O-N 3.42Å; V17-F19 HydrophobicContact CG1-CE2 4.26Å; V17-F19 HydrophobicContact CG2-CD2 3.84Å; V17-F19 HydrophobicContact CG2-CE2 3.43Å; V17-F19 VanDerWaalsContact CG2-CE2 3.43Å; V17-F19 HydrophobicContact CG2-CZ 4.22Å; V17-A40 HydrophobicContact CG2-CB 3.84Å; V17-L41 VanDerWaalsContact CA-O 3.29Å; V17-L41 WeakPolarHBondContact CA-O 3.01Å; V17-F42 HydrophobicContact CB-CD2 4.5Å; V17-I499 HydrophobicContact CG1-CG2 4.13Å
18	R	98.6	Very high	96.6	Very high	19 Å²	19	29 Å²	29	7%	0.072	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.9	174.4	-73.4	-76	-67.3	-100.7	5.7	109.6	I8 E12 A40 L41 D518 E520 A521 L612	I8-R18 VanDerWaalsContact CG2-CD 3.47Å; E12-R18 HydrophobicContact CB-CG 3.96Å; E12-R18 VanDerWaalsContact CD-CG 3.43Å; E12-R18 HydrophobicContact CG-CG 3.9Å; E12-R18 WeakPolarHBondContact OE2-CD 3.46Å; E12-R18 WeakPolarHBondContact OE2-CG 3.39Å; E12-R18 IonicContact OE2-CZ 3.64Å; E12-R18 IonicContact OE2-NE 3.41Å; E12-R18 IonicContact OE2-NH1 3.67Å; E12-R18 PolarHBondContact OE2-NH1 3.09Å; R18-A40 CarbonylContact O-C 3.2Å; R18-A40 WeakPolarHBondContact O-CA 3.21Å; R18-L41 HydrophobicContact CB-CB 4.38Å; R18-L41 PolarHBondContact N-O 3.43Å; R18-L41 PolarHBondContact O-N 2.93Å; R18-D518 IonicContact CZ-OD1 2.82Å; R18-D518 IonicContact CZ-OD2 3.61Å; R18-D518 VanDerWaalsContact CZ-OD2 3.3Å; R18-D518 IonicContact NE-OD1 3.56Å; R18-D518 IonicContact NE-OD2 2.89Å; R18-D518 PolarHBondContact NE-OD2 2.85Å; R18-D518 IonicContact NH2-OD1 3.61Å; R18-D518 PolarHBondContact NH2-OD1 3.26Å; R18-D518 IonicContact NH2-OD2 3.77Å; R18-D518 PolarHBondContact NH2-OD2 2.96Å; R18-D518 VanDerWaalsContact NH2-OD2 3.08Å; R18-E520 IonicContact CZ-OE2 2.78Å; R18-E520 IonicContact NH1-OE2 2.8Å; R18-E520 IonicContact NH2-OE2 3.55Å; R18-E520 PolarHBondContact NH2-OE2 3.49Å; R18-A521 HydrophobicContact CB-CB 4.04Å; R18-L612 HydrophobicContact CB-CD1 4.13Å; R18-L612 HydrophobicContact CG-CD1 4.08Å
19	F	98.8	Very high	96.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	145.3	-179.3	-82.5	-94.7	0	0	0	111.2	V17 W21 W24 A39 A40 F461 I479 I499 D518	V17-F19 HydrophobicContact CG1-CE2 4.26Å; V17-F19 HydrophobicContact CG2-CD2 3.84Å; V17-F19 HydrophobicContact CG2-CE2 3.43Å; V17-F19 VanDerWaalsContact CG2-CE2 3.43Å; V17-F19 HydrophobicContact CG2-CZ 4.22Å; F19-W21 WeakPolarHBondContact CB-O 3.04Å; F19-W21 PolarHBondContact O-N 2.94Å; F19-W24 HydrophobicContact CD1-CZ2 4.01Å; F19-W24 HydrophobicContact CE1-CH2 4.48Å; F19-W24 AromaticContact CE1-CZ2 3.57Å; F19-W24 HydrophobicContact CE1-CZ2 3.57Å; F19-W24 AromaticContact CZ-CZ2 3.98Å; F19-W24 HydrophobicContact CZ-CZ2 3.98Å; F19-A39 CarbonylContact C-O 3.6Å; F19-A39 VanDerWaalsContact CA-O 3.28Å; F19-A39 WeakPolarHBondContact CA-O 3.15Å; F19-A39 WeakPolarHBondContact CD1-O 3.29Å; F19-A40 HydrophobicContact CD1-CB 3.78Å; F19-A40 HydrophobicContact CD2-CB 4.11Å; F19-A40 HydrophobicContact CE1-CB 3.63Å; F19-A40 HydrophobicContact CE2-CB 3.98Å; F19-A40 HydrophobicContact CG-CB 4Å; F19-A40 HydrophobicContact CZ-CB 3.72Å; F19-F461 HydrophobicContact CE1-CD2 4.29Å; F19-F461 AromaticContact CE1-CE2 3.96Å; F19-F461 HydrophobicContact CE1-CE2 3.96Å; F19-F461 HydrophobicContact CZ-CE2 4.48Å; F19-I479 HydrophobicContact CE1-CD1 4.1Å; F19-I479 HydrophobicContact CZ-CD1 4.04Å; F19-I499 HydrophobicContact CE2-CD1 3.69Å; F19-I499 HydrophobicContact CE2-CG1 4.04Å; F19-I499 HydrophobicContact CZ-CD1 3.58Å; F19-I499 HydrophobicContact CZ-CG1 4.19Å; F19-D518 WeakPolarHBondContact O-CB 3.33Å
20	S	98.6	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-59	-36.1	168	49.9	0	0	0	0	112.7	P37 A39 F517 D518	S20-P37 PolarHBondContact OG-O 3.07Å; S20-A39 PolarHBondContact N-O 3.19Å; S20-A39 PolarHBondContact OG-N 3.4Å; S20-A39 PolarHBondContact OG-O 3.21Å; S20-F517 VanDerWaalsContact O-CD2 3.3Å; S20-F517 WeakPolarHBondContact O-CD2 3.33Å; S20-D518 PolarHBondContact O-N 3.49Å
21	W	98.4	Very high	95.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-134.7	123.1	178.7	-55.9	97.3	0	0	0	110.2	F19 W24 M34 V36 I513 F517 F557 F574	F19-W21 WeakPolarHBondContact CB-O 3.04Å; F19-W21 PolarHBondContact O-N 2.94Å; W21-W24 PolarHBondContact O-NE1 3.34Å; W21-M34 HydrophobicContact CB-CE 4.12Å; W21-M34 HydrophobicContact CD2-CE 3.06Å; W21-M34 HydrophobicContact CE3-CE 3.41Å; W21-M34 VanDerWaalsContact CE3-CE 3.41Å; W21-M34 HydrophobicContact CG-CE 3.39Å; W21-M34 HydrophobicContact CH2-CE 4.09Å; W21-M34 HydrophobicContact CZ2-CB 4Å; W21-M34 HydrophobicContact CZ2-CE 3.8Å; W21-M34 HydrophobicContact CZ3-CE 3.89Å; W21-V36 HydrophobicContact CZ2-CB 4.34Å; W21-V36 PolarHBondContact NE1-O 3.45Å; W21-I513 HydrophobicContact CE3-CG2 3.87Å; W21-I513 HydrophobicContact CZ3-CG2 4.05Å; W21-F517 AromaticContact CD2-CD2 3.7Å; W21-F517 HydrophobicContact CD2-CD2 3.7Å; W21-F517 HydrophobicContact CD2-CE2 4.42Å; W21-F517 AromaticContact CE2-CD2 3.6Å; W21-F517 AromaticContact CE2-CE2 3.9Å; W21-F517 HydrophobicContact CE3-CB 3.82Å; W21-F517 AromaticContact CE3-CD2 3.64Å; W21-F517 HydrophobicContact CE3-CD2 3.64Å; W21-F517 HydrophobicContact CE3-CG 4.19Å; W21-F517 HydrophobicContact CH2-CB 4.21Å; W21-F517 AromaticContact CH2-CD2 3.4Å; W21-F517 HydrophobicContact CH2-CD2 3.4Å; W21-F517 AromaticContact CH2-CE2 3.94Å; W21-F517 HydrophobicContact CH2-CE2 3.94Å; W21-F517 AromaticContact CH2-CG 3.99Å; W21-F517 HydrophobicContact CH2-CG 3.99Å; W21-F517 AromaticContact CZ2-CD2 3.47Å; W21-F517 HydrophobicContact CZ2-CD2 3.47Å; W21-F517 VanDerWaalsContact CZ2-CD2 3.47Å; W21-F517 AromaticContact CZ2-CE2 3.64Å; W21-F517 HydrophobicContact CZ2-CE2 3.64Å; W21-F517 HydrophobicContact CZ2-CG 4.48Å; W21-F517 HydrophobicContact CZ3-CB 3.58Å; W21-F517 AromaticContact CZ3-CD2 3.5Å; W21-F517 HydrophobicContact CZ3-CD2 3.5Å; W21-F517 HydrophobicContact CZ3-CE2 4.46Å; W21-F517 AromaticContact CZ3-CG 3.86Å; W21-F517 HydrophobicContact CZ3-CG 3.86Å; W21-F557 HydrophobicContact CH2-CD2 4.37Å; W21-F557 HydrophobicContact CH2-CE1 4.26Å; W21-F557 AromaticContact CH2-CE2 3.61Å; W21-F557 HydrophobicContact CH2-CE2 3.61Å; W21-F557 AromaticContact CH2-CZ 3.54Å; W21-F557 HydrophobicContact CH2-CZ 3.54Å; W21-F557 HydrophobicContact CZ2-CE2 4.24Å; W21-F557 HydrophobicContact CZ2-CZ 4.38Å; W21-F557 HydrophobicContact CZ3-CE1 4.48Å; W21-F557 HydrophobicContact CZ3-CZ 4.1Å; W21-F574 HydrophobicContact CH2-CE1 4.19Å; W21-F574 HydrophobicContact CH2-CZ 4.17Å; W21-F574 HydrophobicContact CZ3-CZ 4.23Å
22	N	98.3	Very high	95.6	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	14%	0.135	C	C	.	.	S	Bend	trans	-92.8	-4.2	178.9	-71.4	-70.1	0	0	0	113.8	F7 R501 S516	F7-N22 HydrophobicContact CD1-CB 4.5Å; F7-N22 HydrophobicContact CE1-CB 3.95Å; N22-R501 WeakPolarHBondContact O-CB 3.33Å; N22-R501 VanDerWaalsContact O-CD 3.25Å; N22-R501 WeakPolarHBondContact O-CD 3.44Å; N22-R501 PolarHBondContact OD1-NE 3.16Å; N22-S516 PolarHBondContact N-O 3.2Å; N22-S516 PolarHBondContact N-OG 2.82Å; N22-S516 PolarHBondContact ND2-O 3.18Å
23	V	97.9	Very high	95.3	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.067	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.7	165.4	177.6	0	0	0	0	107.2	A504 I513 S516	V23-A504 HydrophobicContact CG1-CB 3.45Å; V23-A504 VanDerWaalsContact CG1-CB 3.45Å; V23-I513 HydrophobicContact CG1-CG1 4.18Å; V23-S516 WeakPolarHBondContact CB-OG 3.49Å; V23-S516 PolarHBondContact N-OG 3.19Å
24	W	97.8	Very high	95.1	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.6	-172.2	-60.2	-23.7	0	0	0	111.4	F19 W21 S26 V38 I414 G477 I479 I499 R501 N502 W503 A504	F19-W24 HydrophobicContact CD1-CZ2 4.01Å; F19-W24 HydrophobicContact CE1-CH2 4.48Å; F19-W24 AromaticContact CE1-CZ2 3.57Å; F19-W24 HydrophobicContact CE1-CZ2 3.57Å; F19-W24 AromaticContact CZ-CZ2 3.98Å; F19-W24 HydrophobicContact CZ-CZ2 3.98Å; W21-W24 PolarHBondContact O-NE1 3.34Å; W24-S26 PolarHBondContact O-N 2.77Å; W24-V38 HydrophobicContact CD2-CG1 4.38Å; W24-V38 HydrophobicContact CG-CG1 4.26Å; W24-I414 HydrophobicContact CE3-CD1 3.55Å; W24-I414 HydrophobicContact CH2-CD1 4.01Å; W24-I414 HydrophobicContact CZ3-CD1 3.18Å; W24-G477 WeakPolarHBondContact CZ3-O 3.15Å; W24-I479 HydrophobicContact CH2-CD1 3.55Å; W24-I479 HydrophobicContact CH2-CG1 3.92Å; W24-I479 HydrophobicContact CZ2-CD1 4.03Å; W24-I479 HydrophobicContact CZ3-CD1 4.39Å; W24-I499 HydrophobicContact CH2-CD1 3.93Å; W24-I499 HydrophobicContact CZ2-CD1 4.26Å; W24-R501 HydrophobicContact CD2-CB 3.76Å; W24-R501 HydrophobicContact CD2-CG 4.4Å; W24-R501 HydrophobicContact CE3-CB 3.99Å; W24-R501 HydrophobicContact CG-CB 4.37Å; W24-R501 HydrophobicContact CH2-CB 3.85Å; W24-R501 HydrophobicContact CH2-CG 3.91Å; W24-R501 HydrophobicContact CZ2-CB 3.6Å; W24-R501 HydrophobicContact CZ2-CG 3.38Å; W24-R501 HydrophobicContact CZ3-CB 4.03Å; W24-N502 PolarHBondContact N-O 3.26Å; W24-W503 HydrophobicContact CB-CE3 3.6Å; W24-W503 HydrophobicContact CB-CH2 4.42Å; W24-W503 HydrophobicContact CB-CZ3 3.52Å; W24-W503 HydrophobicContact CE3-CH2 4.07Å; W24-W503 HydrophobicContact CE3-CZ2 4.26Å; W24-W503 HydrophobicContact CE3-CZ3 4.26Å; W24-W503 HydrophobicContact CG-CZ3 4.47Å; W24-W503 CarbonylContact O-C 3.59Å; W24-W503 WeakPolarHBondContact O-CA 3.37Å; W24-A504 PolarHBondContact O-N 3.07Å
25	P	95.6	Very high	95.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	134.8	172.8	31.2	-37.7	0	0	0	109	S27 E30 A31 M34 V463 W503 I513	P25-S27 PolarHBondContact O-N 3.13Å; P25-E30 HydrophobicContact CB-CB 4.18Å; P25-A31 HydrophobicContact CG-CB 3.64Å; P25-M34 HydrophobicContact CB-SD 3.78Å; P25-M34 VanDerWaalsContact CD-SD 3.55Å; P25-M34 HydrophobicContact CG-CE 4.48Å; P25-M34 HydrophobicContact CG-SD 3.39Å; P25-M34 WeakPolarHBondContact CG-SD 3.38Å; P25-V463 HydrophobicContact CG-CG2 4.33Å; P25-W503 WeakPolarHBondContact O-CZ3 3.39Å; P25-I513 HydrophobicContact CB-CD1 4.23Å
26	S	93.3	Very high	95	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.042	12%	0.121	C	C	.	.	S	Bend	trans	-67.1	-5.6	179	61.9	0	0	0	0	114	W24 N465 A504	W24-S26 PolarHBondContact O-N 2.77Å; S26-N465 VanDerWaalsContact O-CB 3.3Å; S26-N465 WeakPolarHBondContact O-CB 3.46Å; S26-N465 PolarHBondContact O-ND2 2.76Å; S26-A504 WeakPolarHBondContact CB-O 3.45Å; S26-A504 PolarHBondContact N-O 2.9Å; S26-A504 PolarHBondContact OG-O 2.96Å
27	S	92.7	Very high	95	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.021	13%	0.129	C	C	.	.	S	Bend	trans	-139.9	133.4	-161.2	120.7	0	0	0	0	111.7	P25 L29 E30 A31 H467	P25-S27 PolarHBondContact O-N 3.13Å; S27-L29 VanDerWaalsContact C-N 3.32Å; S27-L29 PolarHBondContact O-N 3.3Å; S27-E30 PolarHBondContact O-N 3.03Å; S27-E30 PolarHBondContact OG-N 3.41Å; S27-A31 PolarHBondContact O-N 3.42Å; S27-H467 PolarHBondContact OG-ND1 3.04Å
28	R	92.2	Very high	95	Very high	116 Å²	116	26.6 Å²	26.6	44%	0.438	13%	0.132	S	C	.	.	H	α-helix	trans	-57.2	-41.6	179.6	-176.6	175	-170.9	-158.1	4.1	113.1	E30 A31 T32 N436 E462 V463 N465	R28-E30 VanDerWaalsContact C-N 3.29Å; R28-E30 PolarHBondContact O-N 3.22Å; R28-A31 PolarHBondContact O-N 3.04Å; R28-T32 PolarHBondContact O-N 3.38Å; R28-T32 VanDerWaalsContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.02Å; R28-N436 PolarHBondContact NH2-ND2 3.44Å; R28-N436 VanDerWaalsContact NH2-ND2 3.19Å; R28-E462 IonicContact CZ-OE1 2.69Å; R28-E462 IonicContact NE-OE1 3.83Å; R28-E462 PolarHBondContact NE-OE1 2.73Å; R28-E462 IonicContact NH2-OE1 3.85Å; R28-E462 PolarHBondContact NH2-OE1 3.44Å; R28-V463 WeakPolarHBondContact CA-O 3.29Å; R28-V463 WeakPolarHBondContact CB-O 3.17Å; R28-V463 WeakPolarHBondContact CG-O 3.4Å; R28-N465 PolarHBondContact N-O 3.16Å
29	L	90.9	Very high	95	Very high	76 Å²	76	25.7 Å²	25.7	40%	0.398	13%	0.128	S	C	.	.	H	α-helix	trans	-59.7	-42.5	-179.4	177.6	62.1	0	0	0	111.4	S27 T32 R33 H467	S27-L29 VanDerWaalsContact C-N 3.32Å; S27-L29 PolarHBondContact O-N 3.3Å; L29-T32 PolarHBondContact O-N 3.4Å; L29-R33 WeakPolarHBondContact O-CG 3.46Å; L29-R33 PolarHBondContact O-N 2.82Å; L29-H467 HydrophobicContact CB-CB 4.44Å
30	E	89.1	Confident	95	Very high	17 Å²	17	25.7 Å²	25.7	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-77.3	-33.8	-178.9	-68	-62.2	147.2	0	0	111.8	P25 S27 R28 T32 R33 M34 A506	P25-E30 HydrophobicContact CB-CB 4.18Å; S27-E30 PolarHBondContact O-N 3.03Å; S27-E30 PolarHBondContact OG-N 3.41Å; R28-E30 VanDerWaalsContact C-N 3.29Å; R28-E30 PolarHBondContact O-N 3.22Å; E30-T32 VanDerWaalsContact C-N 3.28Å; E30-T32 PolarHBondContact O-N 3.24Å; E30-R33 CarbonylContact O-C 3.59Å; E30-R33 WeakPolarHBondContact O-CA 3.48Å; E30-R33 WeakPolarHBondContact O-CB 3.45Å; E30-R33 PolarHBondContact O-N 3.01Å; E30-R33 WeakPolarHBondContact OE1-CD 3.5Å; E30-R33 IonicContact OE1-CZ 3.62Å; E30-R33 IonicContact OE1-NE 3.66Å; E30-R33 IonicContact OE1-NH1 2.72Å; E30-R33 PolarHBondContact OE1-NH1 3.48Å; E30-R33 WeakPolarHBondContact OE2-CD 3.24Å; E30-M34 WeakPolarHBondContact O-CG 3.05Å; E30-M34 PolarHBondContact O-N 3.37Å; E30-M34 VanDerWaalsContact O-N 3.11Å; E30-A506 HydrophobicContact CB-CB 3.83Å; E30-A506 HydrophobicContact CG-CB 3.77Å
31	A	92.2	Very high	95	Very high	19 Å²	19	25.9 Å²	25.9	16%	0.157	13%	0.129	C	C	.	.	H	α-helix	trans	-55.5	-42.8	169.8	0	0	0	0	0	112.3	P25 S27 R28 R33 M34 V463	P25-A31 HydrophobicContact CG-CB 3.64Å; S27-A31 PolarHBondContact O-N 3.42Å; R28-A31 PolarHBondContact O-N 3.04Å; A31-R33 VanDerWaalsContact C-N 3.3Å; A31-R33 PolarHBondContact O-N 3.1Å; A31-M34 PolarHBondContact O-N 3.42Å; A31-V463 HydrophobicContact CB-CB 3.98Å; A31-V463 HydrophobicContact CB-CG2 4.13Å
32	T	91	Very high	95.1	Very high	93 Å²	93	26 Å²	26	57%	0.571	13%	0.13	S	C	*	.	H	α-helix	trans	-66.1	-31.8	175	-55.7	0	0	0	0	112.7	R28 L29 E30 M34	R28-T32 PolarHBondContact O-N 3.38Å; R28-T32 VanDerWaalsContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.02Å; L29-T32 PolarHBondContact O-N 3.4Å; E30-T32 VanDerWaalsContact C-N 3.28Å; E30-T32 PolarHBondContact O-N 3.24Å; T32-M34 VanDerWaalsContact C-N 3.29Å; T32-M34 PolarHBondContact O-N 2.92Å
33	R	91.7	Very high	95.1	Very high	122 Å²	122	26 Å²	26	46%	0.46	13%	0.13	S	C	.	.	H	α-helix	trans	-76.4	-12.9	178.6	-72.2	170.8	171.4	-173.7	-3.5	113.5	L29 E30 A31 V35	L29-R33 WeakPolarHBondContact O-CG 3.46Å; L29-R33 PolarHBondContact O-N 2.82Å; E30-R33 CarbonylContact O-C 3.59Å; E30-R33 WeakPolarHBondContact O-CA 3.48Å; E30-R33 WeakPolarHBondContact O-CB 3.45Å; E30-R33 PolarHBondContact O-N 3.01Å; E30-R33 WeakPolarHBondContact OE1-CD 3.5Å; E30-R33 IonicContact OE1-CZ 3.62Å; E30-R33 IonicContact OE1-NE 3.66Å; E30-R33 IonicContact OE1-NH1 2.72Å; E30-R33 PolarHBondContact OE1-NH1 3.48Å; E30-R33 WeakPolarHBondContact OE2-CD 3.24Å; A31-R33 VanDerWaalsContact C-N 3.3Å; A31-R33 PolarHBondContact O-N 3.1Å; R33-V35 PolarHBondContact O-N 3.47Å
34	M	90.9	Very high	95.1	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.034	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.1	175.8	-69.7	169.1	60.5	0	0	113.7	W21 P25 E30 A31 T32 V36 I513 F557	W21-M34 HydrophobicContact CB-CE 4.12Å; W21-M34 HydrophobicContact CD2-CE 3.06Å; W21-M34 HydrophobicContact CE3-CE 3.41Å; W21-M34 VanDerWaalsContact CE3-CE 3.41Å; W21-M34 HydrophobicContact CG-CE 3.39Å; W21-M34 HydrophobicContact CH2-CE 4.09Å; W21-M34 HydrophobicContact CZ2-CB 4Å; W21-M34 HydrophobicContact CZ2-CE 3.8Å; W21-M34 HydrophobicContact CZ3-CE 3.89Å; P25-M34 HydrophobicContact CB-SD 3.78Å; P25-M34 VanDerWaalsContact CD-SD 3.55Å; P25-M34 HydrophobicContact CG-CE 4.48Å; P25-M34 HydrophobicContact CG-SD 3.39Å; P25-M34 WeakPolarHBondContact CG-SD 3.38Å; E30-M34 WeakPolarHBondContact O-CG 3.05Å; E30-M34 PolarHBondContact O-N 3.37Å; E30-M34 VanDerWaalsContact O-N 3.11Å; A31-M34 PolarHBondContact O-N 3.42Å; T32-M34 VanDerWaalsContact C-N 3.29Å; T32-M34 PolarHBondContact O-N 2.92Å; M34-V36 PolarHBondContact O-N 3.46Å; M34-I513 HydrophobicContact CE-CG2 3.36Å; M34-I513 HydrophobicContact SD-CG2 3.89Å; M34-F557 HydrophobicContact CG-CZ 4.35Å
35	V	94.2	Very high	95.1	Very high	18 Å²	18	26 Å²	26	11%	0.109	13%	0.13	C	C	.	.	S	Bend	trans	68	-62.5	177.8	-171	0	0	0	0	113.6	R33 Q549 R552 L553	R33-V35 PolarHBondContact O-N 3.47Å; V35-Q549 HydrophobicContact CG1-CB 3.8Å; V35-Q549 HydrophobicContact CG1-CG 4.27Å; V35-Q549 WeakPolarHBondContact CG1-O 3.46Å; V35-R552 HydrophobicContact CG1-CB 4.22Å; V35-R552 HydrophobicContact CG2-CB 3.66Å; V35-L553 HydrophobicContact CB-CD1 4.4Å
36	V	97.4	Very high	95.2	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	14%	0.142	C	C	.	.	S	Bend	trans	-74.1	124.4	173.1	178.7	0	0	0	0	108.1	W21 M34 F517 A522 M526 L553	W21-V36 HydrophobicContact CZ2-CB 4.34Å; W21-V36 PolarHBondContact NE1-O 3.45Å; M34-V36 PolarHBondContact O-N 3.46Å; V36-F517 HydrophobicContact CB-CE2 4.37Å; V36-F517 HydrophobicContact CG1-CE2 4.48Å; V36-F517 HydrophobicContact CG2-CE2 4.3Å; V36-F517 HydrophobicContact CG2-CZ 4.47Å; V36-A522 HydrophobicContact CG1-CB 3.91Å; V36-M526 HydrophobicContact CG1-CG 4.26Å; V36-M526 HydrophobicContact CG1-SD 4.39Å; V36-M526 HydrophobicContact CG2-CG 4.16Å; V36-M526 HydrophobicContact CG2-SD 4.38Å; V36-L553 HydrophobicContact CG2-CD1 4.29Å
37	P	97.4	Very high	95.1	Very high	31 Å²	31	33 Å²	33	20%	0.201	16%	0.161	C	C	.	.			trans	-66.1	157.1	-178.8	28.3	-35.1	0	0	0	111.5	S20 A39 Y460 L529	S20-P37 PolarHBondContact OG-O 3.07Å; P37-A39 PolarHBondContact O-N 3.39Å; P37-A39 VanDerWaalsContact O-N 3.11Å; P37-Y460 HydrophobicContact CG-CD1 3.86Å; P37-Y460 HydrophobicContact CG-CE1 4.24Å; P37-L529 HydrophobicContact CG-CD1 4.34Å
38	V	98.4	Very high	94.9	Very high	10 Å²	10	34.8 Å²	34.8	6%	0.061	17%	0.167	C	C	.	.	S	Bend	trans	-67.6	109.3	165.3	179.3	0	0	0	0	107.4	W24 F461 V463	W24-V38 HydrophobicContact CD2-CG1 4.38Å; W24-V38 HydrophobicContact CG-CG1 4.26Å; V38-F461 HydrophobicContact CG1-CB 4.4Å; V38-F461 WeakPolarHBondContact O-CA 3.41Å; V38-F461 WeakPolarHBondContact O-CB 3.48Å; V38-F461 PolarHBondContact O-N 3.33Å; V38-V463 HydrophobicContact CG2-CG2 4.46Å
39	A	98.8	Very high	94.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.1	-175.5	0	0	0	0	0	110	F19 S20 P37 I459 Y460 L525	F19-A39 CarbonylContact C-O 3.6Å; F19-A39 VanDerWaalsContact CA-O 3.28Å; F19-A39 WeakPolarHBondContact CA-O 3.15Å; F19-A39 WeakPolarHBondContact CD1-O 3.29Å; S20-A39 PolarHBondContact N-O 3.19Å; S20-A39 PolarHBondContact OG-N 3.4Å; S20-A39 PolarHBondContact OG-O 3.21Å; P37-A39 PolarHBondContact O-N 3.39Å; P37-A39 VanDerWaalsContact O-N 3.11Å; A39-I459 CarbonylContact C-O 3.59Å; A39-I459 WeakPolarHBondContact CA-O 3.33Å; A39-I459 WeakPolarHBondContact CB-O 3.35Å; A39-Y460 HydrophobicContact CB-CD1 3.47Å; A39-Y460 VanDerWaalsContact CB-CD1 3.47Å; A39-Y460 HydrophobicContact CB-CE1 3.85Å; A39-Y460 HydrophobicContact CB-CG 4.07Å; A39-L525 HydrophobicContact CB-CD1 3.83Å; A39-L525 HydrophobicContact CB-CD2 4Å; A39-L525 HydrophobicContact CB-CG 4.37Å
40	A	98.8	Very high	94.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137	-178.4	0	0	0	0	0	112.2	V17 R18 F19 A458 I459 F461	V17-A40 HydrophobicContact CG2-CB 3.84Å; R18-A40 CarbonylContact O-C 3.2Å; R18-A40 WeakPolarHBondContact O-CA 3.21Å; F19-A40 HydrophobicContact CD1-CB 3.78Å; F19-A40 HydrophobicContact CD2-CB 4.11Å; F19-A40 HydrophobicContact CE1-CB 3.63Å; F19-A40 HydrophobicContact CE2-CB 3.98Å; F19-A40 HydrophobicContact CG-CB 4Å; F19-A40 HydrophobicContact CZ-CB 3.72Å; A40-A458 CarbonylContact O-C 3.44Å; A40-A458 WeakPolarHBondContact O-CA 3.32Å; A40-I459 PolarHBondContact N-O 3.06Å; A40-I459 PolarHBondContact O-N 3.43Å; A40-F461 HydrophobicContact CB-CE2 4.15Å
41	L	98.9	Very high	94.1	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.9	156.7	-63.4	172.1	0	0	0	107.7	V17 R18 T456 L457 A458 I524 L525 L612	V17-L41 VanDerWaalsContact CA-O 3.29Å; V17-L41 WeakPolarHBondContact CA-O 3.01Å; R18-L41 HydrophobicContact CB-CB 4.38Å; R18-L41 PolarHBondContact N-O 3.43Å; R18-L41 PolarHBondContact O-N 2.93Å; L41-T456 HydrophobicContact CB-CG2 3.94Å; L41-T456 HydrophobicContact CD2-CG2 4.32Å; L41-L457 CarbonylContact C-O 3.57Å; L41-L457 WeakPolarHBondContact CA-O 3.39Å; L41-A458 HydrophobicContact CD2-CB 4.1Å; L41-I524 HydrophobicContact CD1-CB 4.03Å; L41-I524 HydrophobicContact CD1-CG2 3.86Å; L41-I524 HydrophobicContact CD2-CG2 4.1Å; L41-L525 HydrophobicContact CD2-CD2 3.9Å; L41-L525 HydrophobicContact CD2-CG 4.37Å; L41-L525 HydrophobicContact CG-CD2 4.07Å; L41-L525 HydrophobicContact CG-CG 4.21Å; L41-L612 HydrophobicContact CD1-CB 3.87Å; L41-L612 HydrophobicContact CD1-CD1 4.05Å; L41-L612 HydrophobicContact CD1-CG 4.4Å
42	F	98.9	Very high	93.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.8	-176.4	175.4	-120.1	0	0	0	111.3	G16 V17 P44 L406 T456 L457 F481 T497	G16-F42 WeakPolarHBondContact O-CA 3.29Å; V17-F42 HydrophobicContact CB-CD2 4.5Å; F42-P44 HydrophobicContact CD1-CB 4.46Å; F42-P44 HydrophobicContact CE1-CB 3.71Å; F42-P44 HydrophobicContact CE1-CG 4.37Å; F42-P44 HydrophobicContact CZ-CB 4.01Å; F42-P44 VanDerWaalsContact O-CD 3.25Å; F42-P44 WeakPolarHBondContact O-CD 3.49Å; F42-L406 HydrophobicContact CD1-CD2 4.35Å; F42-L406 HydrophobicContact CE1-CD1 3.91Å; F42-L406 HydrophobicContact CE1-CD2 4.39Å; F42-T456 WeakPolarHBondContact O-CA 3.37Å; F42-L457 PolarHBondContact N-O 3.03Å; F42-L457 PolarHBondContact O-N 3.49Å; F42-F481 HydrophobicContact CB-CE1 4.46Å; F42-F481 AromaticContact CD1-CD1 3.76Å; F42-F481 HydrophobicContact CD1-CD1 3.76Å; F42-F481 HydrophobicContact CD1-CE1 4.23Å; F42-F481 HydrophobicContact CD1-CG 4.23Å; F42-F481 HydrophobicContact CD2-CD1 4.38Å; F42-F481 HydrophobicContact CD2-CD2 4.43Å; F42-F481 HydrophobicContact CD2-CG 4.32Å; F42-F481 HydrophobicContact CE1-CB 3.72Å; F42-F481 AromaticContact CE1-CD1 3.81Å; F42-F481 HydrophobicContact CE1-CD1 3.81Å; F42-F481 AromaticContact CE1-CG 3.9Å; F42-F481 HydrophobicContact CE1-CG 3.9Å; F42-F481 HydrophobicContact CE2-CB 4.11Å; F42-F481 HydrophobicContact CE2-CD1 4.44Å; F42-F481 HydrophobicContact CE2-CD2 4.2Å; F42-F481 HydrophobicContact CE2-CG 4.01Å; F42-F481 HydrophobicContact CG-CD1 4.06Å; F42-F481 HydrophobicContact CG-CE1 4.16Å; F42-F481 HydrophobicContact CG-CG 4.43Å; F42-F481 HydrophobicContact CZ-CB 3.48Å; F42-F481 VanDerWaalsContact CZ-CB 3.48Å; F42-F481 HydrophobicContact CZ-CD1 4.16Å; F42-F481 HydrophobicContact CZ-CD2 4.4Å; F42-F481 AromaticContact CZ-CG 3.78Å; F42-F481 HydrophobicContact CZ-CG 3.78Å; F42-T497 HydrophobicContact CE2-CG2 4.32Å
43	T	98.8	Very high	93.6	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.043	20%	0.199	C	C	.	.			trans	-108.8	88.5	-179.2	-47.6	0	0	0	0	109.7	G16 L45 K46 P453 T456	G16-T43 PolarHBondContact O-N 2.88Å; T43-L45 VanDerWaalsContact C-N 3.26Å; T43-L45 PolarHBondContact O-N 3.03Å; T43-L45 VanDerWaalsContact O-N 3.13Å; T43-K46 HydrophobicContact CG2-CB 4.04Å; T43-K46 HydrophobicContact CG2-CD 4.29Å; T43-K46 PolarHBondContact O-N 2.8Å; T43-P453 WeakPolarHBondContact CG2-O 3.2Å; T43-T456 PolarHBondContact OG1-OG1 3.31Å; T43-T456 VanDerWaalsContact OG1-OG1 3.1Å
44	P	98.1	Very high	93.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.7	-170.4	18.3	-34.1	0	0	0	115.3	F42 T455 T483 R495	F42-P44 HydrophobicContact CD1-CB 4.46Å; F42-P44 HydrophobicContact CE1-CB 3.71Å; F42-P44 HydrophobicContact CE1-CG 4.37Å; F42-P44 HydrophobicContact CZ-CB 4.01Å; F42-P44 VanDerWaalsContact O-CD 3.25Å; F42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-T455 WeakPolarHBondContact CD-O 3.37Å; P44-T483 HydrophobicContact CB-CG2 4.11Å; P44-T483 WeakPolarHBondContact CB-OG1 3.21Å; P44-R495 VanDerWaalsContact O-CD 3.25Å; P44-R495 WeakPolarHBondContact O-CD 3.43Å
45	L	97.8	Very high	93.8	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.058	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	28.6	-179.7	-62.4	-160	0	0	0	113.6	T43 E47 L451 P453 Y485 R495	T43-L45 VanDerWaalsContact C-N 3.26Å; T43-L45 PolarHBondContact O-N 3.03Å; T43-L45 VanDerWaalsContact O-N 3.13Å; L45-E47 PolarHBondContact O-N 3.08Å; L45-L451 HydrophobicContact CB-CD1 4.34Å; L45-L451 HydrophobicContact CD1-CD1 3.14Å; L45-L451 HydrophobicContact CD1-CG 4.46Å; L45-L451 HydrophobicContact CD2-CD1 4.18Å; L45-L451 HydrophobicContact CG-CD1 3.28Å; L45-P453 VanDerWaalsContact O-CA 3.24Å; L45-P453 WeakPolarHBondContact O-CA 3.47Å; L45-P453 WeakPolarHBondContact O-CB 3.49Å; L45-Y485 HydrophobicContact CD1-CD2 4.21Å; L45-Y485 HydrophobicContact CD1-CE1 4.42Å; L45-Y485 HydrophobicContact CD1-CE2 3.77Å; L45-Y485 HydrophobicContact CD2-CD1 4Å; L45-Y485 HydrophobicContact CD2-CE1 3.49Å; L45-Y485 VanDerWaalsContact CD2-CE1 3.49Å; L45-Y485 HydrophobicContact CD2-CE2 4.33Å; L45-R495 HydrophobicContact CD2-CB 4.48Å
46	K	97.3	Very high	93.7	Very high	58 Å²	58	41.4 Å²	41.4	25%	0.252	22%	0.218	S	C	.	.			trans	-45.2	130.6	175.1	-174.6	70.1	174.2	-170.1	0	110.2	T43 R48 R495	T43-K46 HydrophobicContact CG2-CB 4.04Å; T43-K46 HydrophobicContact CG2-CD 4.29Å; T43-K46 PolarHBondContact O-N 2.8Å; K46-R48 PolarHBondContact O-N 3.27Å; K46-R495 VanDerWaalsContact O-CZ 3.31Å; K46-R495 PolarHBondContact O-NH1 3.47Å; K46-R495 PolarHBondContact O-NH2 3.48Å
47	E	92.2	Very high	93.5	Very high	94 Å²	94	46 Å²	46	44%	0.439	24%	0.24	S	C	.	.			trans	-63.6	133.9	-178	-57.7	-165.9	135.3	0	0	110.5	L45 K399 P453	L45-E47 PolarHBondContact O-N 3.08Å; E47-K399 VanDerWaalsContact CD-NZ 3.3Å; E47-K399 VanDerWaalsContact OE1-CD 3.3Å; E47-K399 WeakPolarHBondContact OE1-CD 3.27Å; E47-K399 WeakPolarHBondContact OE1-CE 3.35Å; E47-K399 IonicContact OE1-NZ 3.64Å; E47-K399 PolarHBondContact OE1-NZ 2.9Å; E47-K399 IonicContact OE2-NZ 3.92Å; E47-K399 PolarHBondContact OE2-NZ 3.32Å; E47-P453 HydrophobicContact CG-CB 3.48Å; E47-P453 VanDerWaalsContact CG-CB 3.48Å; E47-P453 HydrophobicContact CG-CG 3.9Å
48	R	87.9	Confident	93.5	Very high	41 Å²	41	45.3 Å²	45.3	16%	0.155	24%	0.236	C	C	.	.			trans	-135.4	76.4	178.4	-74.9	-65	-56	-88.2	4.1	108.5	E13 R14 K46 D50 L51	E13-R48 VanDerWaalsContact O-CD 3.29Å; E13-R48 WeakPolarHBondContact O-CD 3.49Å; R14-R48 VanDerWaalsContact C-NH1 3.33Å; R14-R48 VanDerWaalsContact CA-NH1 3.26Å; R14-R48 VanDerWaalsContact CG-NH1 3.31Å; R14-R48 PolarHBondContact O-NH1 2.66Å; K46-R48 PolarHBondContact O-N 3.27Å; R48-D50 WeakPolarHBondContact CA-OD1 3.34Å; R48-D50 IonicContact CZ-OD1 3.3Å; R48-D50 IonicContact CZ-OD2 2.77Å; R48-D50 IonicContact NE-OD1 3.7Å; R48-D50 PolarHBondContact NE-OD1 3.03Å; R48-D50 IonicContact NE-OD2 2.83Å; R48-D50 PolarHBondContact NE-OD2 3.32Å; R48-D50 IonicContact NH2-OD1 3.83Å; R48-D50 IonicContact NH2-OD2 3.73Å; R48-D50 PolarHBondContact NH2-OD2 3.09Å; R48-D50 PolarHBondContact O-N 2.9Å; R48-L51 VanDerWaalsContact NH2-CD1 3.33Å; R48-L51 PolarHBondContact O-N 2.88Å
49	P	84.8	Confident	93.5	Very high	114 Å²	114	45.7 Å²	45.7	74%	0.74	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.6	-176.3	28.8	-35	0	0	0	112.7
50	D	87.5	Confident	93.5	Very high	97 Å²	97	48.4 Å²	48.4	52%	0.519	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.9	-179.1	62.3	-51.6	0	0	0	114.1	R48	R48-D50 WeakPolarHBondContact CA-OD1 3.34Å; R48-D50 IonicContact CZ-OD1 3.3Å; R48-D50 IonicContact CZ-OD2 2.77Å; R48-D50 IonicContact NE-OD1 3.7Å; R48-D50 PolarHBondContact NE-OD1 3.03Å; R48-D50 IonicContact NE-OD2 2.83Å; R48-D50 PolarHBondContact NE-OD2 3.32Å; R48-D50 IonicContact NH2-OD1 3.83Å; R48-D50 IonicContact NH2-OD2 3.73Å; R48-D50 PolarHBondContact NH2-OD2 3.09Å; R48-D50 PolarHBondContact O-N 2.9Å
51	L	83.6	Confident	93.5	Very high	37 Å²	37	48.4 Å²	48.4	19%	0.194	25%	0.252	C	S	.	.	S	Bend	trans	-117.8	122.9	-177.9	-61.6	-175.7	0	0	0	112	R48 F114	R48-L51 VanDerWaalsContact NH2-CD1 3.33Å; R48-L51 PolarHBondContact O-N 2.88Å; L51-F114 HydrophobicContact CB-CE1 4.25Å; L51-F114 HydrophobicContact CD1-CD1 3.89Å; L51-F114 HydrophobicContact CD1-CE1 4.08Å; L51-F114 HydrophobicContact CD2-CD1 4.21Å; L51-F114 HydrophobicContact CD2-CE1 3.67Å; L51-F114 HydrophobicContact CD2-CE2 4.41Å; L51-F114 HydrophobicContact CD2-CZ 3.79Å; L51-F114 HydrophobicContact CG-CE1 4.21Å
52	P	82.3	Confident	93.4	Very high	85 Å²	85	51.7 Å²	51.7	55%	0.552	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-74.7	151.6	175.6	31.5	-34.5	0	0	0	111.5
53	P	89.4	Confident	93.4	Very high	49 Å²	49	56 Å²	56	32%	0.318	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-70	139.3	173.5	29.9	-34.7	0	0	0	111.2	V120	P53-V120 HydrophobicContact CB-CG2 3.89Å
54	I	93.9	Very high	93.2	Very high	21 Å²	21	61.8 Å²	61.8	11%	0.108	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-88.5	129	-174.9	-60.8	-56.1	0	0	0	111.2	Y56 A108 I117 E118 Y119 V120	I54-Y56 HydrophobicContact CG2-CD1 3.42Å; I54-Y56 VanDerWaalsContact CG2-CD1 3.42Å; I54-Y56 HydrophobicContact CG2-CD2 3.76Å; I54-Y56 HydrophobicContact CG2-CE1 3.09Å; I54-Y56 HydrophobicContact CG2-CE2 3.45Å; I54-Y56 VanDerWaalsContact CG2-CE2 3.45Å; I54-Y56 HydrophobicContact CG2-CG 3.76Å; I54-Y56 PolarHBondContact O-N 3.46Å; I54-A108 HydrophobicContact CD1-CB 4.12Å; I54-I117 HydrophobicContact CD1-CD1 4.41Å; I54-I117 HydrophobicContact CG1-CD1 3.61Å; I54-I117 HydrophobicContact CG1-CG1 3.73Å; I54-E118 PolarHBondContact N-O 3.4Å; I54-Y119 HydrophobicContact CB-CD1 4.13Å; I54-Y119 HydrophobicContact CG2-CD1 3.97Å; I54-Y119 HydrophobicContact CG2-CE1 4.25Å; I54-Y119 CarbonylContact O-C 3.49Å; I54-Y119 WeakPolarHBondContact O-CA 3.34Å; I54-V120 PolarHBondContact O-N 3.07Å
55	Q	93.4	Very high	93	Very high	126 Å²	126	67.3 Å²	67.3	59%	0.589	36%	0.361	S	S	*	.			trans	-94.5	39.5	-169.5	-57.7	-65.6	-25.8	0	0	113.7
56	Y	92.3	Very high	92.9	Very high	78 Å²	78	67.6 Å²	67.6	31%	0.306	36%	0.363	S	S	.	.	S	Bend	trans	-144.8	164.1	175.9	52.2	-104.9	0	0	0	112	I54 Y98 E109 Y119	I54-Y56 HydrophobicContact CG2-CD1 3.42Å; I54-Y56 VanDerWaalsContact CG2-CD1 3.42Å; I54-Y56 HydrophobicContact CG2-CD2 3.76Å; I54-Y56 HydrophobicContact CG2-CE1 3.09Å; I54-Y56 HydrophobicContact CG2-CE2 3.45Å; I54-Y56 VanDerWaalsContact CG2-CE2 3.45Å; I54-Y56 HydrophobicContact CG2-CG 3.76Å; I54-Y56 PolarHBondContact O-N 3.46Å; Y56-Y98 WeakPolarHBondContact CE2-OH 3.18Å; Y56-E109 PolarHBondContact OH-OE2 3.07Å; Y56-Y119 HydrophobicContact CD2-CD1 4.27Å; Y56-Y119 HydrophobicContact CD2-CE1 4.26Å; Y56-Y119 HydrophobicContact CE2-CD1 4.27Å; Y56-Y119 AromaticContact CE2-CE1 3.87Å; Y56-Y119 HydrophobicContact CE2-CE1 3.87Å; Y56-Y119 WeakPolarHBondContact O-CD1 3.45Å
57	E	93.9	Very high	93	Very high	99 Å²	99	71 Å²	71	46%	0.463	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-71.4	142.7	177.6	-72.3	-149.9	151.3	0	0	111.9	V121 R123	E57-V121 HydrophobicContact CG-CG1 4.27Å; E57-R123 IonicContact OE1-CZ 2.72Å; E57-R123 VanDerWaalsContact OE1-CZ 3.3Å; E57-R123 IonicContact OE1-NE 2.62Å; E57-R123 PolarHBondContact OE1-NE 3.04Å; E57-R123 IonicContact OE1-NH2 3.86Å; E57-R123 PolarHBondContact OE1-NH2 3.25Å; E57-R123 IonicContact OE2-NH2 2.78Å; E57-R123 PolarHBondContact OE2-NH2 2.64Å
58	P	96.9	Very high	93.3	Very high	17 Å²	17	66.5 Å²	66.5	11%	0.11	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-64.2	136.4	176.7	25.4	-33.6	0	0	0	111.8	L60 V69 Y119 I494	P58-L60 HydrophobicContact CB-CD2 4.47Å; P58-L60 PolarHBondContact O-N 3.28Å; P58-V69 HydrophobicContact CB-CG1 3.68Å; P58-Y119 HydrophobicContact CB-CD1 4.34Å; P58-Y119 HydrophobicContact CB-CD2 4.15Å; P58-Y119 HydrophobicContact CB-CE1 4.23Å; P58-Y119 HydrophobicContact CB-CE2 4.04Å; P58-Y119 HydrophobicContact CB-CG 4.29Å; P58-I494 HydrophobicContact CG-CD1 3.97Å
59	V	97.9	Very high	93.8	Very high	18 Å²	18	64.7 Å²	64.7	11%	0.109	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-75.7	124.1	173.9	-177.9	0	0	0	0	109.6	V69 L70 W83 P95 Y98	V59-V69 WeakPolarHBondContact O-CA 3.36Å; V59-L70 HydrophobicContact CB-CB 3.96Å; V59-L70 HydrophobicContact CB-CD2 4.16Å; V59-L70 HydrophobicContact CG1-CB 4.36Å; V59-L70 HydrophobicContact CG1-CD2 4.41Å; V59-L70 HydrophobicContact CG2-CD2 4.48Å; V59-L70 PolarHBondContact O-N 3.36Å; V59-W83 HydrophobicContact CG1-CZ2 4Å; V59-P95 HydrophobicContact CG2-CG 3.99Å; V59-Y98 HydrophobicContact CG2-CE1 4.44Å; V59-Y98 HydrophobicContact CG2-CE2 4.33Å
60	L	98.3	Very high	94.4	Very high	57 Å²	57	59.3 Å²	59.3	30%	0.298	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-108.9	146.3	-175.4	-56.3	-179.3	0	0	0	112.2	P58 S62 V69	P58-L60 HydrophobicContact CB-CD2 4.47Å; P58-L60 PolarHBondContact O-N 3.28Å; L60-S62 PolarHBondContact O-N 3.19Å; L60-V69 HydrophobicContact CD2-CB 4.34Å; L60-V69 HydrophobicContact CD2-CG2 3.73Å
61	C	98.5	Very high	94.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.288	C	S	.	.			trans	-59.1	132.2	168.6	173	0	0	0	0	110.2	R63 A68 W83 C85	C61-R63 VanDerWaalsContact C-N 3.29Å; C61-R63 PolarHBondContact O-N 3.42Å; C61-A68 WeakPolarHBondContact CB-O 3.35Å; C61-A68 PolarHBondContact N-O 3.31Å; C61-W83 HydrophobicContact CB-CH2 3.86Å; C61-C85 HydrophobicContact CB-CB 4.16Å
62	S	98	Very high	95.6	Very high	73 Å²	73	54.7 Å²	54.7	51%	0.51	29%	0.29	S	S	.	.	S	Bend	trans	-70.2	-22.1	-175.6	61.1	0	0	0	0	113.7	L60 T64 N92	L60-S62 PolarHBondContact O-N 3.19Å; S62-T64 PolarHBondContact O-N 2.85Å; S62-N92 VanDerWaalsContact CB-OD1 3.29Å; S62-N92 WeakPolarHBondContact CB-OD1 3.43Å; S62-N92 PolarHBondContact N-OD1 3.32Å; S62-N92 PolarHBondContact OG-OD1 3.48Å
63	R	97.7	Very high	96.4	Very high	93 Å²	93	53.7 Å²	53.7	35%	0.351	28%	0.279	S	S	.	.			trans	-66.1	119	175.7	-175.7	175.4	-63.6	169	9.7	111.3	C61 T65 C66 R67 C88 Q90	C61-R63 VanDerWaalsContact C-N 3.29Å; C61-R63 PolarHBondContact O-N 3.42Å; R63-T65 VanDerWaalsContact C-N 3.32Å; R63-T65 PolarHBondContact O-N 2.97Å; R63-C66 HydrophobicContact CB-CB 4.19Å; R63-C66 HydrophobicContact CG-CB 4.37Å; R63-C66 PolarHBondContact O-N 3.43Å; R63-R67 PolarHBondContact O-N 3.35Å; R63-C88 PolarHBondContact NH1-O 3.25Å; R63-C88 PolarHBondContact NH2-O 2.96Å; R63-Q90 HydrophobicContact CB-CB 4.23Å; R63-Q90 HydrophobicContact CB-CG 4.16Å
64	T	94.9	Very high	96.8	Very high	128 Å²	128	51.8 Å²	51.8	79%	0.785	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-41.2	-176.4	-46.1	0	0	0	0	113.9	S62 C66 R67	S62-T64 PolarHBondContact O-N 2.85Å; T64-C66 VanDerWaalsContact C-N 3.28Å; T64-C66 PolarHBondContact O-N 3.11Å; T64-R67 WeakPolarHBondContact O-CG 3.41Å
65	T	94.8	Very high	96.9	Very high	117 Å²	117	58.2 Å²	58.2	72%	0.718	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.8	-179.5	53.9	0	0	0	0	114.1	R63	R63-T65 VanDerWaalsContact C-N 3.32Å; R63-T65 PolarHBondContact O-N 2.97Å
66	C	96.3	Very high	97.1	Very high	17 Å²	17	53.8 Å²	53.8	12%	0.115	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-64.6	-177.7	178.6	0	0	0	0	111.3	R63 T64 A68 C85 C88 K409	R63-C66 HydrophobicContact CB-CB 4.19Å; R63-C66 HydrophobicContact CG-CB 4.37Å; R63-C66 PolarHBondContact O-N 3.43Å; T64-C66 VanDerWaalsContact C-N 3.28Å; T64-C66 PolarHBondContact O-N 3.11Å; C66-A68 PolarHBondContact O-N 3.5Å; C66-C85 VanDerWaalsContact SG-SG 3.7Å; C66-C88 HydrophobicContact CB-CB 3.99Å; C66-C88 VanDerWaalsContact SG-SG 3.66Å; C66-K409 WeakPolarHBondContact O-CE 3.41Å; C66-K409 PolarHBondContact O-NZ 2.96Å
67	R	97.8	Very high	97.3	Very high	129 Å²	129	53.6 Å²	53.6	49%	0.487	28%	0.282	S	S	.	.			trans	48.1	26.9	-178.4	-63.1	-79	-75.2	178.1	-4.3	114.2	R63 T64 K409	R63-R67 PolarHBondContact O-N 3.35Å; T64-R67 WeakPolarHBondContact O-CG 3.41Å; R67-K409 WeakPolarHBondContact O-CE 3.34Å
68	A	98.3	Very high	97.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63.7	148.1	174.1	0	0	0	0	0	110.6	C61 C66 F87 K409	C61-A68 WeakPolarHBondContact CB-O 3.35Å; C61-A68 PolarHBondContact N-O 3.31Å; C66-A68 PolarHBondContact O-N 3.5Å; A68-F87 HydrophobicContact CB-CD2 3.53Å; A68-F87 HydrophobicContact CB-CE2 4.03Å; A68-F87 HydrophobicContact CB-CG 4.33Å; A68-K409 HydrophobicContact CB-CD 3.87Å
69	V	98.6	Very high	97.2	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.024	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-78.6	142	177.5	-170.4	0	0	0	0	109.4	P58 V59 L60 N71 Y119 Q480 V482 V496	P58-V69 HydrophobicContact CB-CG1 3.68Å; V59-V69 WeakPolarHBondContact O-CA 3.36Å; L60-V69 HydrophobicContact CD2-CB 4.34Å; L60-V69 HydrophobicContact CD2-CG2 3.73Å; V69-N71 PolarHBondContact O-N 3.46Å; V69-N71 PolarHBondContact O-ND2 3.27Å; V69-Y119 HydrophobicContact CG1-CE2 4.45Å; V69-Q480 PolarHBondContact O-NE2 2.9Å; V69-V482 HydrophobicContact CG2-CG2 4.04Å; V69-V496 HydrophobicContact CB-CG1 4.09Å; V69-V496 HydrophobicContact CB-CG2 4.38Å; V69-V496 HydrophobicContact CG1-CG1 4.38Å; V69-V496 HydrophobicContact CG1-CG2 4.25Å; V69-V496 HydrophobicContact CG2-CG1 4.33Å; V69-V496 HydrophobicContact CG2-CG2 4Å
70	L	98.6	Very high	97.1	Very high	1 Å²	1	63 Å²	63	1%	0.005	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-51.3	134.5	168.4	-178.4	64.9	0	0	0	109.8	V59 C74 W83 F94 E109 L110	V59-L70 HydrophobicContact CB-CB 3.96Å; V59-L70 HydrophobicContact CB-CD2 4.16Å; V59-L70 HydrophobicContact CG1-CB 4.36Å; V59-L70 HydrophobicContact CG1-CD2 4.41Å; V59-L70 HydrophobicContact CG2-CD2 4.48Å; V59-L70 PolarHBondContact O-N 3.36Å; L70-C74 HydrophobicContact CD1-CB 3.95Å; L70-W83 HydrophobicContact CB-CH2 4.42Å; L70-W83 HydrophobicContact CD1-CB 4.29Å; L70-W83 HydrophobicContact CD1-CD2 3.57Å; L70-W83 HydrophobicContact CD1-CE3 3.58Å; L70-W83 HydrophobicContact CD1-CG 3.9Å; L70-W83 HydrophobicContact CD1-CH2 4.45Å; L70-W83 HydrophobicContact CD1-CZ2 4.49Å; L70-W83 HydrophobicContact CD1-CZ3 4.03Å; L70-F94 HydrophobicContact CD2-CE1 3.81Å; L70-E109 HydrophobicContact CB-CG 4.29Å; L70-E109 HydrophobicContact CD2-CG 3.77Å; L70-E109 HydrophobicContact CG-CG 3.96Å; L70-L110 HydrophobicContact CD1-CD2 3.77Å; L70-L110 HydrophobicContact CD1-CG 4.44Å; L70-L110 HydrophobicContact CD2-CD2 4.45Å; L70-L110 HydrophobicContact CD2-CG 4.26Å; L70-L110 HydrophobicContact CG-CD2 4.03Å; L70-L110 HydrophobicContact CG-CG 4.31Å
71	N	98.4	Very high	97	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.016	32%	0.322	C	S	.	.			trans	-154.5	167.3	-173	66.9	81.4	0	0	0	110.4	V69 L73 C74 N86 E109 L110 T498	V69-N71 PolarHBondContact O-N 3.46Å; V69-N71 PolarHBondContact O-ND2 3.27Å; N71-L73 PolarHBondContact O-N 3.44Å; N71-L73 VanDerWaalsContact OD1-CB 3.22Å; N71-L73 WeakPolarHBondContact OD1-CB 3.38Å; N71-L73 PolarHBondContact OD1-N 2.67Å; N71-C74 PolarHBondContact ND2-SG 3.41Å; N71-C74 WeakPolarHBondContact O-CB 3.25Å; N71-C74 PolarHBondContact O-N 2.87Å; N71-N86 PolarHBondContact ND2-OD1 2.96Å; N71-N86 PolarHBondContact OD1-OD1 2.92Å; N71-E109 CarbonylContact C-O 3.6Å; N71-E109 WeakPolarHBondContact CA-O 3.42Å; N71-L110 WeakPolarHBondContact O-CD2 3.34Å; N71-T498 HydrophobicContact CB-CG2 3.93Å; N71-T498 WeakPolarHBondContact CB-OG1 3.15Å; N71-T498 WeakPolarHBondContact OD1-CG2 3.15Å
72	P	98.1	Very high	97	Very high	34 Å²	34	65.7 Å²	65.7	22%	0.221	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.3	-173.4	-25.8	37.3	0	0	0	115.5	C74 E109 L110 L111	P72-C74 VanDerWaalsContact C-N 3.34Å; P72-E109 WeakPolarHBondContact CD-O 3.39Å; P72-E109 WeakPolarHBondContact CG-O 3.47Å; P72-L110 WeakPolarHBondContact CB-O 3.35Å; P72-L111 VanDerWaalsContact CG-O 3.29Å; P72-L111 WeakPolarHBondContact CG-O 3.16Å
73	L	97.8	Very high	97	Very high	63 Å²	63	62.3 Å²	62.3	33%	0.33	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.9	177.1	-50.4	176.7	0	0	0	112.8	N71 N86 A478 T498 A500	N71-L73 PolarHBondContact O-N 3.44Å; N71-L73 VanDerWaalsContact OD1-CB 3.22Å; N71-L73 WeakPolarHBondContact OD1-CB 3.38Å; N71-L73 PolarHBondContact OD1-N 2.67Å; L73-N86 HydrophobicContact CB-CB 4.02Å; L73-A478 HydrophobicContact CD1-CB 3.94Å; L73-T498 HydrophobicContact CD1-CG2 3.81Å; L73-T498 HydrophobicContact CG-CG2 4.37Å; L73-A500 HydrophobicContact CD1-CB 3.75Å; L73-A500 HydrophobicContact CD2-CB 4.2Å
74	C	97.7	Very high	97	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.061	30%	0.299	C	S	.	.	S	Bend	trans	-73.5	130.6	178.4	-66.2	0	0	0	0	110.6	L70 N71 P72 W83 A84 L110	L70-C74 HydrophobicContact CD1-CB 3.95Å; N71-C74 PolarHBondContact ND2-SG 3.41Å; N71-C74 WeakPolarHBondContact O-CB 3.25Å; N71-C74 PolarHBondContact O-N 2.87Å; P72-C74 VanDerWaalsContact C-N 3.34Å; C74-W83 HydrophobicContact CB-CE3 4.02Å; C74-A84 WeakPolarHBondContact CA-O 3.47Å; C74-A84 WeakPolarHBondContact CB-O 3.43Å; C74-L110 HydrophobicContact CB-CD2 4.48Å
75	Q	96.5	Very high	97.1	Very high	157 Å²	157	52.8 Å²	52.8	73%	0.734	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	133.3	172.5	-67.7	179.7	-11.9	0	0	109.7	W83 A84	Q75-W83 CarbonylContact O-C 3.53Å; Q75-W83 VanDerWaalsContact O-CA 3.3Å; Q75-W83 WeakPolarHBondContact O-CA 3.34Å; Q75-A84 HydrophobicContact CB-CB 4.45Å; Q75-A84 PolarHBondContact N-O 3.15Å; Q75-A84 PolarHBondContact O-N 3.14Å
76	V	97.6	Very high	97.3	Very high	33 Å²	33	48.3 Å²	48.3	20%	0.2	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.1	-175.5	-177.6	0	0	0	0	110.2	Y78 W83 F94 L110	V76-Y78 HydrophobicContact CB-CE1 4.33Å; V76-Y78 HydrophobicContact CB-CE2 4Å; V76-Y78 HydrophobicContact CG1-CD1 3.82Å; V76-Y78 HydrophobicContact CG1-CD2 4.16Å; V76-Y78 HydrophobicContact CG1-CE1 3.58Å; V76-Y78 HydrophobicContact CG1-CE2 3.94Å; V76-Y78 HydrophobicContact CG1-CG 4.09Å; V76-W83 HydrophobicContact CG2-CB 4.25Å; V76-F94 HydrophobicContact CG1-CE2 3.73Å; V76-F94 HydrophobicContact CG1-CZ 3.77Å; V76-F94 HydrophobicContact CG2-CZ 4.26Å; V76-L110 HydrophobicContact CG2-CD1 3.71Å; V76-L110 HydrophobicContact CG2-CD2 3.94Å
77	D	96.7	Very high	97.3	Very high	73 Å²	73	48.5 Å²	48.5	39%	0.39	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	98.1	166.9	-176.9	-21.5	0	0	0	108.5	R79 A80 K81 L82	D77-R79 PolarHBondContact O-N 3.09Å; D77-R79 PolarHBondContact OD1-N 2.82Å; D77-A80 HydrophobicContact CB-CB 4.28Å; D77-A80 PolarHBondContact OD1-N 3.12Å; D77-A80 WeakPolarHBondContact OD2-CB 3.39Å; D77-K81 WeakPolarHBondContact O-CA 3.37Å; D77-K81 PolarHBondContact O-N 3.31Å; D77-L82 HydrophobicContact CB-CB 4.39Å; D77-L82 PolarHBondContact N-O 3.02Å; D77-L82 PolarHBondContact O-N 2.96Å
78	Y	95.3	Very high	97.3	Very high	41 Å²	41	43.3 Å²	43.3	16%	0.161	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.6	-178.5	-64.5	-77.9	0	0	0	113.7	V76 K81 I101 E103 Q106	V76-Y78 HydrophobicContact CB-CE1 4.33Å; V76-Y78 HydrophobicContact CB-CE2 4Å; V76-Y78 HydrophobicContact CG1-CD1 3.82Å; V76-Y78 HydrophobicContact CG1-CD2 4.16Å; V76-Y78 HydrophobicContact CG1-CE1 3.58Å; V76-Y78 HydrophobicContact CG1-CE2 3.94Å; V76-Y78 HydrophobicContact CG1-CG 4.09Å; Y78-K81 VanDerWaalsContact O-CD 3.31Å; Y78-K81 WeakPolarHBondContact O-CD 3.49Å; Y78-K81 VanDerWaalsContact O-CE 3.28Å; Y78-K81 WeakPolarHBondContact O-CE 3.25Å; Y78-K81 PolarHBondContact O-NZ 3.21Å; Y78-I101 HydrophobicContact CD1-CD1 4.31Å; Y78-I101 HydrophobicContact CD1-CG1 4Å; Y78-I101 HydrophobicContact CE1-CD1 3.91Å; Y78-I101 HydrophobicContact CE1-CG1 3.83Å; Y78-E103 HydrophobicContact CD2-CG 3.39Å; Y78-E103 HydrophobicContact CE2-CG 3.59Å; Y78-E103 HydrophobicContact CG-CG 3.99Å; Y78-Q106 HydrophobicContact CE1-CG 4.12Å; Y78-Q106 WeakPolarHBondContact OH-CG 3.38Å; Y78-Q106 PolarHBondContact OH-NE2 2.97Å
79	R	94.6	Very high	97.2	Very high	240 Å²	240	48.7 Å²	48.7	91%	0.906	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-48.2	178.3	-178.1	178.3	178.6	166.3	0.3	110.4	D77 K81	D77-R79 PolarHBondContact O-N 3.09Å; D77-R79 PolarHBondContact OD1-N 2.82Å; R79-K81 VanDerWaalsContact C-N 3.27Å
80	A	95.4	Very high	97.1	Very high	52 Å²	52	51.4 Å²	51.4	43%	0.43	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-9.3	177.6	0	0	0	0	0	113.2	D77 L82	D77-A80 HydrophobicContact CB-CB 4.28Å; D77-A80 PolarHBondContact OD1-N 3.12Å; D77-A80 WeakPolarHBondContact OD2-CB 3.39Å; A80-L82 VanDerWaalsContact C-N 3.31Å; A80-L82 HydrophobicContact CB-CB 4.47Å; A80-L82 HydrophobicContact CB-CD1 3.87Å; A80-L82 HydrophobicContact CB-CG 3.88Å; A80-L82 PolarHBondContact O-N 3.23Å
81	K	95.8	Very high	97.1	Very high	73 Å²	73	59.8 Å²	59.8	32%	0.317	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	45.7	-173.9	-51.8	-62.8	-178.8	-157.4	0	111.6	D77 Y78 R79 F94 A99 I101	D77-K81 WeakPolarHBondContact O-CA 3.37Å; D77-K81 PolarHBondContact O-N 3.31Å; Y78-K81 VanDerWaalsContact O-CD 3.31Å; Y78-K81 WeakPolarHBondContact O-CD 3.49Å; Y78-K81 VanDerWaalsContact O-CE 3.28Å; Y78-K81 WeakPolarHBondContact O-CE 3.25Å; Y78-K81 PolarHBondContact O-NZ 3.21Å; R79-K81 VanDerWaalsContact C-N 3.27Å; K81-F94 HydrophobicContact CB-CD2 4.46Å; K81-F94 WeakPolarHBondContact O-CD2 3.37Å; K81-F94 PolarHBondContact O-N 3.39Å; K81-A99 WeakPolarHBondContact CE-O 3.25Å; K81-I101 HydrophobicContact CD-CG2 3.72Å; K81-I101 PolarHBondContact NZ-O 2.5Å
82	L	97.6	Very high	97.1	Very high	39 Å²	39	60 Å²	60	20%	0.204	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	155.5	179.6	-60.7	177.5	0	0	0	111	D77 A80 N92 Q93	D77-L82 HydrophobicContact CB-CB 4.39Å; D77-L82 PolarHBondContact N-O 3.02Å; D77-L82 PolarHBondContact O-N 2.96Å; A80-L82 VanDerWaalsContact C-N 3.31Å; A80-L82 HydrophobicContact CB-CB 4.47Å; A80-L82 HydrophobicContact CB-CD1 3.87Å; A80-L82 HydrophobicContact CB-CG 3.88Å; A80-L82 PolarHBondContact O-N 3.23Å; L82-N92 CarbonylContact C-O 3.42Å; L82-N92 VanDerWaalsContact CA-O 3.29Å; L82-N92 WeakPolarHBondContact CA-O 3.31Å; L82-Q93 HydrophobicContact CD2-CB 4.27Å; L82-Q93 HydrophobicContact CD2-CG 3.46Å; L82-Q93 VanDerWaalsContact CD2-CG 3.46Å
83	W	98.1	Very high	97.1	Very high	2 Å²	2	66 Å²	66	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.4	167.5	63.3	-83.6	0	0	0	111	V59 C61 L70 C74 Q75 V76 C85 R91 N92 F94	V59-W83 HydrophobicContact CG1-CZ2 4Å; C61-W83 HydrophobicContact CB-CH2 3.86Å; L70-W83 HydrophobicContact CB-CH2 4.42Å; L70-W83 HydrophobicContact CD1-CB 4.29Å; L70-W83 HydrophobicContact CD1-CD2 3.57Å; L70-W83 HydrophobicContact CD1-CE3 3.58Å; L70-W83 HydrophobicContact CD1-CG 3.9Å; L70-W83 HydrophobicContact CD1-CH2 4.45Å; L70-W83 HydrophobicContact CD1-CZ2 4.49Å; L70-W83 HydrophobicContact CD1-CZ3 4.03Å; C74-W83 HydrophobicContact CB-CE3 4.02Å; Q75-W83 CarbonylContact O-C 3.53Å; Q75-W83 VanDerWaalsContact O-CA 3.3Å; Q75-W83 WeakPolarHBondContact O-CA 3.34Å; V76-W83 HydrophobicContact CG2-CB 4.25Å; W83-C85 HydrophobicContact CE3-CB 4.39Å; W83-C85 HydrophobicContact CZ3-CB 3.78Å; W83-R91 CarbonylContact O-C 3.55Å; W83-R91 WeakPolarHBondContact O-CA 3.46Å; W83-N92 HydrophobicContact CD2-CB 3.85Å; W83-N92 HydrophobicContact CG-CB 4.2Å; W83-N92 HydrophobicContact CH2-CB 4.47Å; W83-N92 HydrophobicContact CZ2-CB 3.68Å; W83-N92 PolarHBondContact N-O 2.92Å; W83-N92 VanDerWaalsContact NE1-CB 3.34Å; W83-N92 PolarHBondContact O-N 2.99Å; W83-F94 HydrophobicContact CB-CE1 4.34Å; W83-F94 HydrophobicContact CB-CE2 4.2Å; W83-F94 HydrophobicContact CB-CZ 3.78Å; W83-F94 AromaticContact CD1-CD1 3.78Å; W83-F94 AromaticContact CD1-CE1 3.6Å; W83-F94 AromaticContact CD1-CZ 3.77Å; W83-F94 HydrophobicContact CG-CE1 4.14Å; W83-F94 HydrophobicContact CG-CZ 4.06Å
84	A	98.3	Very high	97	Very high	20 Å²	20	64 Å²	64	17%	0.165	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.2	176.4	0	0	0	0	0	109.8	C74 Q75 N86 Q90	C74-A84 WeakPolarHBondContact CA-O 3.47Å; C74-A84 WeakPolarHBondContact CB-O 3.43Å; Q75-A84 HydrophobicContact CB-CB 4.45Å; Q75-A84 PolarHBondContact N-O 3.15Å; Q75-A84 PolarHBondContact O-N 3.14Å; A84-N86 PolarHBondContact O-N 3.18Å; A84-Q90 WeakPolarHBondContact CA-O 3.26Å
85	C	98.2	Very high	96.9	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.007	31%	0.305	C	S	.	.			trans	-63.7	124.9	177.1	172.6	0	0	0	0	110.7	C61 C66 W83 F87 C88 Y89 Q90	C61-C85 HydrophobicContact CB-CB 4.16Å; C66-C85 VanDerWaalsContact SG-SG 3.7Å; W83-C85 HydrophobicContact CE3-CB 4.39Å; W83-C85 HydrophobicContact CZ3-CB 3.78Å; C85-F87 PolarHBondContact O-N 3.24Å; C85-C88 PolarHBondContact O-N 3.44Å; C85-Y89 WeakPolarHBondContact O-CA 3.38Å; C85-Y89 PolarHBondContact O-N 3.31Å; C85-Q90 PolarHBondContact N-O 2.98Å
86	N	97.4	Very high	96.8	Very high	23 Å²	23	63.9 Å²	63.9	12%	0.123	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.4	-177.6	67.4	-66.2	0	0	0	114.4	N71 L73 A84 A478	N71-N86 PolarHBondContact ND2-OD1 2.96Å; N71-N86 PolarHBondContact OD1-OD1 2.92Å; L73-N86 HydrophobicContact CB-CB 4.02Å; A84-N86 PolarHBondContact O-N 3.18Å; N86-A478 WeakPolarHBondContact ND2-CB 3.3Å
87	F	97.1	Very high	96.6	Very high	22 Å²	22	67.1 Å²	67.1	10%	0.096	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-40.1	178.3	-68.1	-81.3	0	0	0	113.4	A68 C85 A478 Q480 T498	A68-F87 HydrophobicContact CB-CD2 3.53Å; A68-F87 HydrophobicContact CB-CE2 4.03Å; A68-F87 HydrophobicContact CB-CG 4.33Å; C85-F87 PolarHBondContact O-N 3.24Å; F87-A478 HydrophobicContact CE1-CB 3.95Å; F87-A478 WeakPolarHBondContact CE1-O 3.27Å; F87-A478 HydrophobicContact CZ-CB 4.08Å; F87-Q480 HydrophobicContact CE1-CB 4.47Å; F87-Q480 HydrophobicContact CE2-CB 3.8Å; F87-Q480 HydrophobicContact CZ-CB 3.46Å; F87-Q480 VanDerWaalsContact CZ-CB 3.46Å; F87-T498 HydrophobicContact CZ-CG2 4.5Å
88	C	96.4	Very high	96.6	Very high	20 Å²	20	64.8 Å²	64.8	14%	0.135	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-1.3	-169.1	78.2	0	0	0	0	114.1	R63 C66 C85 Q90	R63-C88 PolarHBondContact NH1-O 3.25Å; R63-C88 PolarHBondContact NH2-O 2.96Å; C66-C88 HydrophobicContact CB-CB 3.99Å; C66-C88 VanDerWaalsContact SG-SG 3.66Å; C85-C88 PolarHBondContact O-N 3.44Å; C88-Q90 PolarHBondContact O-N 3.3Å; C88-Q90 WeakPolarHBondContact SG-CB 3.46Å
89	Y	96.1	Very high	96.4	Very high	113 Å²	113	66.1 Å²	66.1	44%	0.443	34%	0.337	S	S	.	.			trans	58.7	14.1	-179.4	-54.8	-77.3	0	0	0	115	C85 R91 Q473	C85-Y89 WeakPolarHBondContact O-CA 3.38Å; C85-Y89 PolarHBondContact O-N 3.31Å; Y89-R91 PolarHBondContact O-N 2.9Å; Y89-Q473 PolarHBondContact OH-O 3.49Å
90	Q	97.9	Very high	96.3	Very high	60 Å²	60	57.5 Å²	57.5	28%	0.28	32%	0.324	S	S	.	.			trans	-61.9	127.3	171.6	-176.9	61.2	43	0	0	109.3	R63 A84 C85 C88 N92	R63-Q90 HydrophobicContact CB-CB 4.23Å; R63-Q90 HydrophobicContact CB-CG 4.16Å; A84-Q90 WeakPolarHBondContact CA-O 3.26Å; C85-Q90 PolarHBondContact N-O 2.98Å; C88-Q90 PolarHBondContact O-N 3.3Å; C88-Q90 WeakPolarHBondContact SG-CB 3.46Å; Q90-N92 PolarHBondContact O-ND2 3.11Å
91	R	98.1	Very high	96.3	Very high	178 Å²	178	55.3 Å²	55.3	67%	0.672	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.4	166.4	-65.9	-174.8	-179.6	-166.6	-1.1	108.9	W83 Y89	W83-R91 CarbonylContact O-C 3.55Å; W83-R91 WeakPolarHBondContact O-CA 3.46Å; Y89-R91 PolarHBondContact O-N 2.9Å
92	N	98.3	Very high	96.2	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.032	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.1	-176.6	-59.3	-69.5	0	0	0	108.7	S62 L82 W83 Q90	S62-N92 VanDerWaalsContact CB-OD1 3.29Å; S62-N92 WeakPolarHBondContact CB-OD1 3.43Å; S62-N92 PolarHBondContact N-OD1 3.32Å; S62-N92 PolarHBondContact OG-OD1 3.48Å; L82-N92 CarbonylContact C-O 3.42Å; L82-N92 VanDerWaalsContact CA-O 3.29Å; L82-N92 WeakPolarHBondContact CA-O 3.31Å; W83-N92 HydrophobicContact CD2-CB 3.85Å; W83-N92 HydrophobicContact CG-CB 4.2Å; W83-N92 HydrophobicContact CH2-CB 4.47Å; W83-N92 HydrophobicContact CZ2-CB 3.68Å; W83-N92 PolarHBondContact N-O 2.92Å; W83-N92 VanDerWaalsContact NE1-CB 3.34Å; W83-N92 PolarHBondContact O-N 2.99Å; Q90-N92 PolarHBondContact O-ND2 3.11Å
93	Q	97.4	Very high	95.9	Very high	161 Å²	161	59.2 Å²	59.2	75%	0.752	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	146.2	168.1	-72.5	178.5	1.8	0	0	109.7	L82	L82-Q93 HydrophobicContact CD2-CB 4.27Å; L82-Q93 HydrophobicContact CD2-CG 3.46Å; L82-Q93 VanDerWaalsContact CD2-CG 3.46Å
94	F	97	Very high	95.6	Very high	22 Å²	22	67.5 Å²	67.5	10%	0.096	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-69.7	152	168.8	-77	-70.3	0	0	0	111.3	L70 V76 K81 W83 Y98 I101 L110	L70-F94 HydrophobicContact CD2-CE1 3.81Å; V76-F94 HydrophobicContact CG1-CE2 3.73Å; V76-F94 HydrophobicContact CG1-CZ 3.77Å; V76-F94 HydrophobicContact CG2-CZ 4.26Å; K81-F94 HydrophobicContact CB-CD2 4.46Å; K81-F94 WeakPolarHBondContact O-CD2 3.37Å; K81-F94 PolarHBondContact O-N 3.39Å; W83-F94 HydrophobicContact CB-CE1 4.34Å; W83-F94 HydrophobicContact CB-CE2 4.2Å; W83-F94 HydrophobicContact CB-CZ 3.78Å; W83-F94 AromaticContact CD1-CD1 3.78Å; W83-F94 AromaticContact CD1-CE1 3.6Å; W83-F94 AromaticContact CD1-CZ 3.77Å; W83-F94 HydrophobicContact CG-CE1 4.14Å; W83-F94 HydrophobicContact CG-CZ 4.06Å; F94-Y98 AromaticContact CD1-CD2 3.88Å; F94-Y98 HydrophobicContact CD1-CD2 3.88Å; F94-Y98 HydrophobicContact CD1-CG 4.38Å; F94-Y98 HydrophobicContact CE1-CD2 4.31Å; F94-I101 HydrophobicContact CD2-CG2 4.26Å; F94-I101 HydrophobicContact CE1-CD1 4.02Å; F94-I101 HydrophobicContact CE2-CD1 4.01Å; F94-I101 HydrophobicContact CE2-CG2 4.4Å; F94-I101 HydrophobicContact CZ-CD1 3.7Å; F94-L110 HydrophobicContact CZ-CD1 4.36Å
95	P	95.7	Very high	95.3	Very high	40 Å²	40	71.8 Å²	71.8	26%	0.26	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-64.9	158.5	171.3	29.8	-35.6	0	0	0	111.1	V59 S97 Y98	V59-P95 HydrophobicContact CG2-CG 3.99Å; P95-S97 PolarHBondContact O-N 3.08Å; P95-S97 VanDerWaalsContact O-N 3.11Å; P95-Y98 HydrophobicContact CG-CD1 3.58Å; P95-Y98 HydrophobicContact CG-CE1 4.04Å; P95-Y98 HydrophobicContact CG-CG 4.01Å; P95-Y98 WeakPolarHBondContact O-CB 3.26Å; P95-Y98 PolarHBondContact O-N 3.34Å
96	P	94.5	Very high	95	Very high	123 Å²	123	74.6 Å²	74.6	80%	0.799	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-56.2	-31.3	-178.2	-27.5	35.4	0	0	0	114.5	Y98 A99	P96-Y98 PolarHBondContact O-N 3.03Å; P96-Y98 VanDerWaalsContact O-N 3.12Å; P96-A99 WeakPolarHBondContact O-CB 3.49Å; P96-A99 PolarHBondContact O-N 3.29Å; P96-A99 VanDerWaalsContact O-N 3.14Å
97	S	93.7	Very high	94.9	Very high	100 Å²	100	74.4 Å²	74.4	70%	0.699	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-61.2	-18.2	175.8	44.8	0	0	0	0	113.7	P95	P95-S97 PolarHBondContact O-N 3.08Å; P95-S97 VanDerWaalsContact O-N 3.11Å
98	Y	94.8	Very high	94.7	Very high	25 Å²	25	74.2 Å²	74.2	10%	0.098	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-103.8	12.5	-177.9	-74.8	51.6	0	0	0	111.4	Y56 V59 F94 P95 P96 G100 I101 P107 E109	Y56-Y98 WeakPolarHBondContact CE2-OH 3.18Å; V59-Y98 HydrophobicContact CG2-CE1 4.44Å; V59-Y98 HydrophobicContact CG2-CE2 4.33Å; F94-Y98 AromaticContact CD1-CD2 3.88Å; F94-Y98 HydrophobicContact CD1-CD2 3.88Å; F94-Y98 HydrophobicContact CD1-CG 4.38Å; F94-Y98 HydrophobicContact CE1-CD2 4.31Å; P95-Y98 HydrophobicContact CG-CD1 3.58Å; P95-Y98 HydrophobicContact CG-CE1 4.04Å; P95-Y98 HydrophobicContact CG-CG 4.01Å; P95-Y98 WeakPolarHBondContact O-CB 3.26Å; P95-Y98 PolarHBondContact O-N 3.34Å; P96-Y98 PolarHBondContact O-N 3.03Å; P96-Y98 VanDerWaalsContact O-N 3.12Å; Y98-G100 PolarHBondContact O-N 2.97Å; Y98-G100 VanDerWaalsContact O-N 3.12Å; Y98-I101 VanDerWaalsContact O-CB 3.29Å; Y98-I101 WeakPolarHBondContact O-CB 3.37Å; Y98-I101 WeakPolarHBondContact O-CG2 3.42Å; Y98-I101 PolarHBondContact O-N 3.46Å; Y98-P107 HydrophobicContact CD2-CB 3.93Å; Y98-P107 HydrophobicContact CD2-CG 3.82Å; Y98-P107 HydrophobicContact CE2-CB 3.27Å; Y98-P107 HydrophobicContact CE2-CG 3.47Å; Y98-P107 VanDerWaalsContact CE2-CG 3.47Å; Y98-E109 VanDerWaalsContact CE2-OE1 3.25Å; Y98-E109 WeakPolarHBondContact CE2-OE1 3.28Å; Y98-E109 VanDerWaalsContact CZ-OE1 3.27Å; Y98-E109 PolarHBondContact OH-OE1 2.87Å
99	A	92.3	Very high	94.7	Very high	68 Å²	68	73.3 Å²	73.3	56%	0.562	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.9	-179.1	0	0	0	0	0	113.2	K81 P96 I101	K81-A99 WeakPolarHBondContact CE-O 3.25Å; P96-A99 WeakPolarHBondContact O-CB 3.49Å; P96-A99 PolarHBondContact O-N 3.29Å; P96-A99 VanDerWaalsContact O-N 3.14Å; A99-I101 VanDerWaalsContact C-N 3.33Å; A99-I101 PolarHBondContact O-N 2.94Å
100	G	92.4	Very high	94.7	Very high	60 Å²	60	68.5 Å²	68.5	62%	0.619	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	5.3	177.8	0	0	0	0	0	115.9	Y98 S102	Y98-G100 PolarHBondContact O-N 2.97Å; Y98-G100 VanDerWaalsContact O-N 3.12Å; G100-S102 PolarHBondContact O-N 3.18Å
101	I	94.8	Very high	94.6	Very high	6 Å²	6	68.3 Å²	68.3	3%	0.031	38%	0.384	C	S	.	.			trans	-59.3	136.8	-178.5	-168.3	177.1	0	0	0	111.6	Y78 K81 F94 Y98 A99 P107 L110	Y78-I101 HydrophobicContact CD1-CD1 4.31Å; Y78-I101 HydrophobicContact CD1-CG1 4Å; Y78-I101 HydrophobicContact CE1-CD1 3.91Å; Y78-I101 HydrophobicContact CE1-CG1 3.83Å; K81-I101 HydrophobicContact CD-CG2 3.72Å; K81-I101 PolarHBondContact NZ-O 2.5Å; F94-I101 HydrophobicContact CD2-CG2 4.26Å; F94-I101 HydrophobicContact CE1-CD1 4.02Å; F94-I101 HydrophobicContact CE2-CD1 4.01Å; F94-I101 HydrophobicContact CE2-CG2 4.4Å; F94-I101 HydrophobicContact CZ-CD1 3.7Å; Y98-I101 VanDerWaalsContact O-CB 3.29Å; Y98-I101 WeakPolarHBondContact O-CB 3.37Å; Y98-I101 WeakPolarHBondContact O-CG2 3.42Å; Y98-I101 PolarHBondContact O-N 3.46Å; A99-I101 VanDerWaalsContact C-N 3.33Å; A99-I101 PolarHBondContact O-N 2.94Å; I101-P107 VanDerWaalsContact CD1-CD 3.41Å; I101-P107 HydrophobicContact CD1-CG 4.02Å; I101-L110 HydrophobicContact CD1-CD1 4.03Å
102	S	93.8	Very high	94.4	Very high	47 Å²	47	63.9 Å²	63.9	33%	0.329	38%	0.378	S	S	.	.			trans	-145.4	172.1	174.3	67.5	0	0	0	0	110.5	G100 L104 N105 Q106	G100-S102 PolarHBondContact O-N 3.18Å; S102-L104 PolarHBondContact O-N 2.97Å; S102-N105 PolarHBondContact N-O 3.1Å; S102-N105 VanDerWaalsContact N-O 3.09Å; S102-N105 CarbonylContact O-C 3.59Å; S102-N105 PolarHBondContact O-N 3.25Å; S102-N105 VanDerWaalsContact O-O 3.1Å; S102-N105 PolarHBondContact OG-N 2.85Å; S102-Q106 VanDerWaalsContact O-CG 3.3Å; S102-Q106 WeakPolarHBondContact O-CG 3.34Å
103	E	91.7	Very high	94.1	Very high	146 Å²	146	69 Å²	69	68%	0.682	40%	0.402	S	S	*	.	S	Bend	trans	-59.2	-33.5	177.6	-72.4	-175	-179.3	0	0	113.1	Y78 Q106	Y78-E103 HydrophobicContact CD2-CG 3.39Å; Y78-E103 HydrophobicContact CE2-CG 3.59Å; Y78-E103 HydrophobicContact CG-CG 3.99Å; E103-Q106 PolarHBondContact O-NE2 3.35Å
104	L	92.2	Very high	94.1	Very high	177 Å²	177	62.9 Å²	62.9	93%	0.927	37%	0.373	S	S	*	.	S	Bend	trans	-87.2	-19	179	-63	175.6	0	0	0	113.3	S102	S102-L104 PolarHBondContact O-N 2.97Å
105	N	91.7	Very high	94.1	Very high	109 Å²	109	62.3 Å²	62.3	58%	0.583	37%	0.371	S	S	*	.	S	Bend	trans	-129.9	81	-179	-173.4	38.3	0	0	0	109.4	S102	S102-N105 PolarHBondContact N-O 3.1Å; S102-N105 VanDerWaalsContact N-O 3.09Å; S102-N105 CarbonylContact O-C 3.59Å; S102-N105 PolarHBondContact O-N 3.25Å; S102-N105 VanDerWaalsContact O-O 3.1Å; S102-N105 PolarHBondContact OG-N 2.85Å
106	Q	92.3	Very high	94.2	Very high	60 Å²	60	60.6 Å²	60.6	28%	0.28	36%	0.361	S	S	.	.			trans	-98.5	146.1	-179.5	-59.5	178.5	9.1	0	0	110.1	Y78 S102 E103 L111	Y78-Q106 HydrophobicContact CE1-CG 4.12Å; Y78-Q106 WeakPolarHBondContact OH-CG 3.38Å; Y78-Q106 PolarHBondContact OH-NE2 2.97Å; S102-Q106 VanDerWaalsContact O-CG 3.3Å; S102-Q106 WeakPolarHBondContact O-CG 3.34Å; E103-Q106 PolarHBondContact O-NE2 3.35Å; Q106-L111 HydrophobicContact CB-CD2 4.33Å
107	P	94.2	Very high	94.3	Very high	19 Å²	19	55.2 Å²	55.2	12%	0.123	33%	0.325	C	S	.	.			trans	-64.7	153.1	171.1	33.3	-40.1	0	0	0	110.8	Y98 I101 E109 L110	Y98-P107 HydrophobicContact CD2-CB 3.93Å; Y98-P107 HydrophobicContact CD2-CG 3.82Å; Y98-P107 HydrophobicContact CE2-CB 3.27Å; Y98-P107 HydrophobicContact CE2-CG 3.47Å; Y98-P107 VanDerWaalsContact CE2-CG 3.47Å; I101-P107 VanDerWaalsContact CD1-CD 3.41Å; I101-P107 HydrophobicContact CD1-CG 4.02Å; P107-E109 VanDerWaalsContact C-N 3.28Å; P107-E109 PolarHBondContact O-N 3.24Å; P107-L110 HydrophobicContact CG-CB 4.35Å; P107-L110 HydrophobicContact CG-CD1 3.71Å; P107-L110 HydrophobicContact CG-CG 4.05Å; P107-L110 PolarHBondContact O-N 2.84Å; P107-L110 VanDerWaalsContact O-N 3.11Å
108	A	94.4	Very high	94.5	Very high	19 Å²	19	51.5 Å²	51.5	16%	0.157	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-56.3	-40.5	-172.2	0	0	0	0	0	112.7	I54 L110 L111 F114 I117	I54-A108 HydrophobicContact CD1-CB 4.12Å; A108-L110 PolarHBondContact O-N 2.85Å; A108-L110 VanDerWaalsContact O-N 3.08Å; A108-L111 WeakPolarHBondContact O-CB 3.41Å; A108-L111 PolarHBondContact O-N 3.15Å; A108-F114 HydrophobicContact CB-CD1 4.47Å; A108-F114 HydrophobicContact CB-CD2 4.24Å; A108-F114 HydrophobicContact CB-CE1 4.4Å; A108-F114 HydrophobicContact CB-CE2 4.18Å; A108-F114 HydrophobicContact CB-CG 4.37Å; A108-F114 HydrophobicContact CB-CZ 4.25Å; A108-F114 VanDerWaalsContact O-CB 3.26Å; A108-F114 WeakPolarHBondContact O-CB 3.45Å; A108-F114 WeakPolarHBondContact O-CD2 3.34Å; A108-I117 HydrophobicContact CB-CD1 4.18Å
109	E	95.6	Very high	94.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-67.6	-8	-177.3	67	-93.3	-151.4	0	0	115.6	Y56 L70 N71 P72 Y98 P107 I117 Y119	Y56-E109 PolarHBondContact OH-OE2 3.07Å; L70-E109 HydrophobicContact CB-CG 4.29Å; L70-E109 HydrophobicContact CD2-CG 3.77Å; L70-E109 HydrophobicContact CG-CG 3.96Å; N71-E109 CarbonylContact C-O 3.6Å; N71-E109 WeakPolarHBondContact CA-O 3.42Å; P72-E109 WeakPolarHBondContact CD-O 3.39Å; P72-E109 WeakPolarHBondContact CG-O 3.47Å; Y98-E109 VanDerWaalsContact CE2-OE1 3.25Å; Y98-E109 WeakPolarHBondContact CE2-OE1 3.28Å; Y98-E109 VanDerWaalsContact CZ-OE1 3.27Å; Y98-E109 PolarHBondContact OH-OE1 2.87Å; P107-E109 VanDerWaalsContact C-N 3.28Å; P107-E109 PolarHBondContact O-N 3.24Å; E109-I117 HydrophobicContact CB-CD1 4.06Å; E109-Y119 WeakPolarHBondContact CB-OH 3.42Å
110	L	96.8	Very high	94.8	Very high	11 Å²	11	47.2 Å²	47.2	6%	0.058	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-95.1	-14.3	172.4	-76.1	177.2	0	0	0	113.1	L70 N71 P72 C74 V76 F94 I101 P107 A108	L70-L110 HydrophobicContact CD1-CD2 3.77Å; L70-L110 HydrophobicContact CD1-CG 4.44Å; L70-L110 HydrophobicContact CD2-CD2 4.45Å; L70-L110 HydrophobicContact CD2-CG 4.26Å; L70-L110 HydrophobicContact CG-CD2 4.03Å; L70-L110 HydrophobicContact CG-CG 4.31Å; N71-L110 WeakPolarHBondContact O-CD2 3.34Å; P72-L110 WeakPolarHBondContact CB-O 3.35Å; C74-L110 HydrophobicContact CB-CD2 4.48Å; V76-L110 HydrophobicContact CG2-CD1 3.71Å; V76-L110 HydrophobicContact CG2-CD2 3.94Å; F94-L110 HydrophobicContact CZ-CD1 4.36Å; I101-L110 HydrophobicContact CD1-CD1 4.03Å; P107-L110 HydrophobicContact CG-CB 4.35Å; P107-L110 HydrophobicContact CG-CD1 3.71Å; P107-L110 HydrophobicContact CG-CG 4.05Å; P107-L110 PolarHBondContact O-N 2.84Å; P107-L110 VanDerWaalsContact O-N 3.11Å; A108-L110 PolarHBondContact O-N 2.85Å; A108-L110 VanDerWaalsContact O-N 3.08Å
111	L	95.1	Very high	94.8	Very high	57 Å²	57	44.7 Å²	44.7	30%	0.298	24%	0.239	S	C	.	.	S	Bend	trans	-77.3	132.3	180	-62.2	178.4	0	0	0	110.2	P72 Q106 A108 Q113 F114	P72-L111 VanDerWaalsContact CG-O 3.29Å; P72-L111 WeakPolarHBondContact CG-O 3.16Å; Q106-L111 HydrophobicContact CB-CD2 4.33Å; A108-L111 WeakPolarHBondContact O-CB 3.41Å; A108-L111 PolarHBondContact O-N 3.15Å; L111-Q113 PolarHBondContact O-N 3.45Å; L111-Q113 VanDerWaalsContact O-N 3.07Å; L111-F114 HydrophobicContact CB-CD2 3.91Å; L111-F114 HydrophobicContact CD1-CD2 4.17Å; L111-F114 HydrophobicContact CD1-CE2 4.14Å; L111-F114 PolarHBondContact O-N 3.19Å
112	P	94.4	Very high	94.4	Very high	84 Å²	84	51.5 Å²	51.5	55%	0.545	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-58.6	-23.9	-178.1	-27.5	35.7	0	0	0	115.3	F114 S115	P112-F114 PolarHBondContact O-N 3.45Å; P112-S115 PolarHBondContact O-N 3.31Å
113	Q	92.6	Very high	93.6	Very high	115 Å²	115	56.6 Å²	56.6	54%	0.537	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-66	-24	174.9	-59	83.3	-0.5	0	0	112.4	L111	L111-Q113 PolarHBondContact O-N 3.45Å; L111-Q113 VanDerWaalsContact O-N 3.07Å
114	F	95.8	Very high	92.8	Very high	31 Å²	31	52.8 Å²	52.8	14%	0.136	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-103.8	29.1	-179.7	-69.9	-86.4	0	0	0	112.5	L51 A108 L111 P112 S116 I117	L51-F114 HydrophobicContact CB-CE1 4.25Å; L51-F114 HydrophobicContact CD1-CD1 3.89Å; L51-F114 HydrophobicContact CD1-CE1 4.08Å; L51-F114 HydrophobicContact CD2-CD1 4.21Å; L51-F114 HydrophobicContact CD2-CE1 3.67Å; L51-F114 HydrophobicContact CD2-CE2 4.41Å; L51-F114 HydrophobicContact CD2-CZ 3.79Å; L51-F114 HydrophobicContact CG-CE1 4.21Å; A108-F114 HydrophobicContact CB-CD1 4.47Å; A108-F114 HydrophobicContact CB-CD2 4.24Å; A108-F114 HydrophobicContact CB-CE1 4.4Å; A108-F114 HydrophobicContact CB-CE2 4.18Å; A108-F114 HydrophobicContact CB-CG 4.37Å; A108-F114 HydrophobicContact CB-CZ 4.25Å; A108-F114 VanDerWaalsContact O-CB 3.26Å; A108-F114 WeakPolarHBondContact O-CB 3.45Å; A108-F114 WeakPolarHBondContact O-CD2 3.34Å; L111-F114 HydrophobicContact CB-CD2 3.91Å; L111-F114 HydrophobicContact CD1-CD2 4.17Å; L111-F114 HydrophobicContact CD1-CE2 4.14Å; L111-F114 PolarHBondContact O-N 3.19Å; P112-F114 PolarHBondContact O-N 3.45Å; F114-S116 PolarHBondContact O-N 2.97Å; F114-I117 HydrophobicContact CB-CB 4.33Å; F114-I117 HydrophobicContact CB-CD1 4.09Å; F114-I117 HydrophobicContact CD1-CB 4.31Å; F114-I117 HydrophobicContact CD1-CD1 3.77Å; F114-I117 HydrophobicContact CD1-CG1 3.86Å; F114-I117 HydrophobicContact CG-CD1 4.21Å
115	S	96.8	Very high	92.3	Very high	10 Å²	10	49.9 Å²	49.9	7%	0.07	28%	0.278	C	S	.	.	S	Bend	trans	-52.7	-33.6	165.9	50.3	0	0	0	0	111.8	R14 D15 P112 T497 T498	R14-S115 VanDerWaalsContact CD-OG 3.31Å; R14-S115 WeakPolarHBondContact CD-OG 3.06Å; R14-S115 PolarHBondContact NE-OG 2.71Å; D15-S115 WeakPolarHBondContact OD1-CB 3.5Å; D15-S115 PolarHBondContact OD1-OG 2.84Å; P112-S115 PolarHBondContact O-N 3.31Å; S115-T497 CarbonylContact O-C 3.56Å; S115-T497 WeakPolarHBondContact O-CA 3.4Å; S115-T498 PolarHBondContact O-N 3Å
116	S	97.9	Very high	92	Very high	5 Å²	5	50.4 Å²	50.4	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.5	162.4	-76.8	0	0	0	0	111	D15 F114 V496 T497	D15-S116 WeakPolarHBondContact CA-OG 3.47Å; D15-S116 PolarHBondContact OD1-OG 3.11Å; F114-S116 PolarHBondContact O-N 2.97Å; S116-V496 CarbonylContact C-O 3.54Å; S116-V496 VanDerWaalsContact CA-O 3.27Å; S116-V496 WeakPolarHBondContact CA-O 3.3Å; S116-T497 WeakPolarHBondContact OG-CB 3.19Å; S116-T497 VanDerWaalsContact OG-CG2 3.25Å; S116-T497 WeakPolarHBondContact OG-CG2 3.32Å; S116-T497 PolarHBondContact OG-OG1 2.78Å
117	I	97.4	Very high	91.9	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.046	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.1	-175.8	-167.8	169.3	0	0	0	110.4	I54 A108 E109 F114 Y119 R495 V496	I54-I117 HydrophobicContact CD1-CD1 4.41Å; I54-I117 HydrophobicContact CG1-CD1 3.61Å; I54-I117 HydrophobicContact CG1-CG1 3.73Å; A108-I117 HydrophobicContact CB-CD1 4.18Å; E109-I117 HydrophobicContact CB-CD1 4.06Å; F114-I117 HydrophobicContact CB-CB 4.33Å; F114-I117 HydrophobicContact CB-CD1 4.09Å; F114-I117 HydrophobicContact CD1-CB 4.31Å; F114-I117 HydrophobicContact CD1-CD1 3.77Å; F114-I117 HydrophobicContact CD1-CG1 3.86Å; F114-I117 HydrophobicContact CG-CD1 4.21Å; I117-Y119 HydrophobicContact CG2-CD2 4.4Å; I117-Y119 HydrophobicContact CG2-CE2 3.52Å; I117-R495 CarbonylContact O-C 3.54Å; I117-R495 WeakPolarHBondContact O-CA 3.37Å; I117-V496 HydrophobicContact CG2-CB 4.12Å; I117-V496 PolarHBondContact N-O 2.89Å; I117-V496 PolarHBondContact O-N 3.44Å
118	E	97.9	Very high	91.9	Very high	22 Å²	22	50.2 Å²	50.2	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.6	177.1	-172.3	170.3	-101	0	0	110.9	I54 Y485 R493 I494 R495	I54-E118 PolarHBondContact N-O 3.4Å; E118-Y485 VanDerWaalsContact CD-OH 3.3Å; E118-Y485 WeakPolarHBondContact OE1-CE1 3.27Å; E118-Y485 PolarHBondContact OE1-OH 3.35Å; E118-Y485 PolarHBondContact OE2-OH 3.09Å; E118-R493 HydrophobicContact CG-CB 4.23Å; E118-R493 WeakPolarHBondContact OE2-CD 3.27Å; E118-R493 IonicContact OE2-CZ 2.89Å; E118-R493 IonicContact OE2-NE 2.91Å; E118-R493 IonicContact OE2-NH1 3.88Å; E118-R493 PolarHBondContact OE2-NH1 2.86Å; E118-I494 CarbonylContact C-O 3.56Å; E118-I494 WeakPolarHBondContact CA-O 3.46Å; E118-R495 WeakPolarHBondContact OE1-CD 3.18Å; E118-R495 IonicContact OE1-NH1 2.71Å
119	Y	97.3	Very high	91.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.5	177.1	-56.1	-93	0	0	0	110.4	I54 Y56 P58 V69 E109 I117 R493 I494 V496	I54-Y119 HydrophobicContact CB-CD1 4.13Å; I54-Y119 HydrophobicContact CG2-CD1 3.97Å; I54-Y119 HydrophobicContact CG2-CE1 4.25Å; I54-Y119 CarbonylContact O-C 3.49Å; I54-Y119 WeakPolarHBondContact O-CA 3.34Å; Y56-Y119 HydrophobicContact CD2-CD1 4.27Å; Y56-Y119 HydrophobicContact CD2-CE1 4.26Å; Y56-Y119 HydrophobicContact CE2-CD1 4.27Å; Y56-Y119 AromaticContact CE2-CE1 3.87Å; Y56-Y119 HydrophobicContact CE2-CE1 3.87Å; Y56-Y119 WeakPolarHBondContact O-CD1 3.45Å; P58-Y119 HydrophobicContact CB-CD1 4.34Å; P58-Y119 HydrophobicContact CB-CD2 4.15Å; P58-Y119 HydrophobicContact CB-CE1 4.23Å; P58-Y119 HydrophobicContact CB-CE2 4.04Å; P58-Y119 HydrophobicContact CB-CG 4.29Å; V69-Y119 HydrophobicContact CG1-CE2 4.45Å; E109-Y119 WeakPolarHBondContact CB-OH 3.42Å; I117-Y119 HydrophobicContact CG2-CD2 4.4Å; I117-Y119 HydrophobicContact CG2-CE2 3.52Å; Y119-R493 CarbonylContact O-C 3.23Å; Y119-R493 WeakPolarHBondContact O-CA 3.31Å; Y119-I494 WeakPolarHBondContact CD2-O 3.36Å; Y119-I494 PolarHBondContact N-O 3.05Å; Y119-I494 PolarHBondContact O-N 2.86Å; Y119-V496 HydrophobicContact CD2-CG2 4.08Å; Y119-V496 HydrophobicContact CE2-CB 4.18Å; Y119-V496 HydrophobicContact CE2-CG2 3.72Å
120	V	96.1	Very high	92.1	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.4	169.8	-179.2	0	0	0	0	108.1	P53 I54 Q491 R493	P53-V120 HydrophobicContact CB-CG2 3.89Å; I54-V120 PolarHBondContact O-N 3.07Å; V120-Q491 HydrophobicContact CG1-CB 4.39Å; V120-Q491 HydrophobicContact CG1-CG 4.38Å; V120-R493 HydrophobicContact CG2-CG 4.27Å
121	V	92.4	Very high	92.2	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126	-178.7	-60.4	0	0	0	0	110.7	E57 R123 R492 I494	E57-V121 HydrophobicContact CG-CG1 4.27Å; V121-R123 VanDerWaalsContact C-N 3.31Å; V121-R123 HydrophobicContact CB-CG 4.5Å; V121-R123 PolarHBondContact O-N 3.45Å; V121-R123 VanDerWaalsContact O-N 3.13Å; V121-R492 HydrophobicContact CG2-CB 3.73Å; V121-R492 HydrophobicContact CG2-CG 3.78Å; V121-R492 WeakPolarHBondContact CG2-O 3.36Å; V121-R492 PolarHBondContact N-O 3.09Å; V121-I494 HydrophobicContact CG1-CD1 3.8Å; V121-I494 HydrophobicContact CG1-CG1 4.19Å; V121-I494 HydrophobicContact CG2-CD1 4.29Å; V121-I494 HydrophobicContact CG2-CG1 4.31Å
122	L	85.7	Confident	92.3	Very high	149 Å²	149	46.4 Å²	46.4	78%	0.78	25%	0.254	S	S	*	.			trans	-87.8	71.2	177.4	-61	176.1	0	0	0	109.6
123	R	77.7	Confident	92.5	Very high	154 Å²	154	42.7 Å²	42.7	58%	0.581	23%	0.229	S	C	*	.			trans	-108.8	109.5	176.9	-71.6	-169.7	-179.2	-177.2	1.4	111.3	E57 V121	E57-R123 IonicContact OE1-CZ 2.72Å; E57-R123 VanDerWaalsContact OE1-CZ 3.3Å; E57-R123 IonicContact OE1-NE 2.62Å; E57-R123 PolarHBondContact OE1-NE 3.04Å; E57-R123 IonicContact OE1-NH2 3.86Å; E57-R123 PolarHBondContact OE1-NH2 3.25Å; E57-R123 IonicContact OE2-NH2 2.78Å; E57-R123 PolarHBondContact OE2-NH2 2.64Å; V121-R123 VanDerWaalsContact C-N 3.31Å; V121-R123 HydrophobicContact CB-CG 4.5Å; V121-R123 PolarHBondContact O-N 3.45Å; V121-R123 VanDerWaalsContact O-N 3.13Å
124	G	74.9	Confident	92.8	Very high	65 Å²	65	37.2 Å²	37.2	67%	0.67	20%	0.203	S	C	*	.	S	Bend	trans	74.6	-179.8	172.7	0	0	0	0	0	114.4
125	P	80.8	Confident	93	Very high	117 Å²	117	35.7 Å²	35.7	76%	0.76	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-68	142.2	176.7	29.4	-33.9	0	0	0	110.7
126	Q	86.6	Confident	93.1	Very high	120 Å²	120	35.2 Å²	35.2	56%	0.561	19%	0.193	S	C	*	.	P	Polyproline II helix	trans	-71.9	132.5	173.1	-66.5	178.3	-11.8	0	0	109.6
127	M	89.8	Confident	93.1	Very high	56 Å²	56	35.6 Å²	35.6	28%	0.276	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-95.9	137.3	175.3	-69.7	-64.1	-69.5	0	0	110	P225 F279 T282 Q486	M127-P225 HydrophobicContact CE-CG 4.41Å; M127-F279 HydrophobicContact CE-CD1 3.94Å; M127-F279 HydrophobicContact CE-CE1 4.25Å; M127-T282 WeakPolarHBondContact CB-OG1 3.47Å; M127-T282 HydrophobicContact CE-CG2 4.47Å; M127-Q486 PolarHBondContact O-NE2 3.05Å; M127-Q486 VanDerWaalsContact O-NE2 3.14Å
128	P	93.1	Very high	93.2	Very high	19 Å²	19	35.7 Å²	35.7	12%	0.123	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-65.4	154.6	172	29.4	-34.4	0	0	0	110.8	T161 L163	P128-T161 WeakPolarHBondContact CB-O 2.9Å; P128-L163 HydrophobicContact CB-CG 4.44Å; P128-L163 HydrophobicContact CG-CD1 4.1Å; P128-L163 HydrophobicContact CG-CG 3.96Å
129	L	96.2	Very high	93.1	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-68	151.8	168.8	-59.8	-175.6	0	0	0	110.3	F131 P159 A162 L163 F398 F402	L129-F131 HydrophobicContact CB-CD2 4.42Å; L129-F131 HydrophobicContact CB-CE2 3.71Å; L129-F131 HydrophobicContact CB-CZ 4.43Å; L129-F131 HydrophobicContact CD1-CE2 4.13Å; L129-F131 HydrophobicContact CD1-CZ 4.22Å; L129-P159 HydrophobicContact CD1-CG 4.45Å; L129-A162 HydrophobicContact CB-CB 4.35Å; L129-A162 CarbonylContact O-C 3.58Å; L129-A162 VanDerWaalsContact O-CA 3.29Å; L129-A162 WeakPolarHBondContact O-CA 3.31Å; L129-L163 PolarHBondContact O-N 2.9Å; L129-F398 HydrophobicContact CD1-CD2 4.31Å; L129-F402 HydrophobicContact CD1-CE2 4.09Å; L129-F402 HydrophobicContact CD2-CD2 3.64Å; L129-F402 HydrophobicContact CD2-CE2 3.61Å; L129-F402 HydrophobicContact CD2-CZ 4.5Å; L129-F402 HydrophobicContact CG-CE2 4.45Å
130	I	98.2	Very high	93.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.4	179.8	-49.9	178.3	0	0	0	109.9	L163 L230 L275 F279 T282 G283 A284 R285	I130-L163 CarbonylContact C-O 3.57Å; I130-L163 VanDerWaalsContact CA-O 3.31Å; I130-L163 WeakPolarHBondContact CA-O 3.21Å; I130-L163 HydrophobicContact CD1-CD1 4.43Å; I130-L163 HydrophobicContact CG1-CB 4.24Å; I130-L163 HydrophobicContact CG1-CD1 4.28Å; I130-L163 HydrophobicContact CG2-CB 4.36Å; I130-L230 HydrophobicContact CG2-CD1 4.39Å; I130-L230 HydrophobicContact CG2-CD2 4.1Å; I130-L275 HydrophobicContact CG2-CD2 4.14Å; I130-F279 HydrophobicContact CD1-CB 3.43Å; I130-F279 VanDerWaalsContact CD1-CB 3.43Å; I130-F279 HydrophobicContact CD1-CD1 3.95Å; I130-F279 HydrophobicContact CD1-CD2 3.78Å; I130-F279 HydrophobicContact CD1-CG 3.46Å; I130-F279 VanDerWaalsContact CD1-CG 3.46Å; I130-T282 HydrophobicContact CD1-CG2 3.85Å; I130-G283 PolarHBondContact N-O 3.11Å; I130-A284 HydrophobicContact CB-CB 3.73Å; I130-A284 HydrophobicContact CD1-CB 4.43Å; I130-A284 HydrophobicContact CG1-CB 4.49Å; I130-A284 HydrophobicContact CG2-CB 4.21Å; I130-A284 CarbonylContact O-C 3.36Å; I130-A284 VanDerWaalsContact O-CA 3.28Å; I130-A284 WeakPolarHBondContact O-CA 3.36Å; I130-R285 PolarHBondContact O-N 2.93Å
131	F	98.6	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.8	177.5	-65	-90.9	0	0	0	110.1	L129 Y133 L158 A162 L163 V164 G165 R285 M287 F390 F398 M400	L129-F131 HydrophobicContact CB-CD2 4.42Å; L129-F131 HydrophobicContact CB-CE2 3.71Å; L129-F131 HydrophobicContact CB-CZ 4.43Å; L129-F131 HydrophobicContact CD1-CE2 4.13Å; L129-F131 HydrophobicContact CD1-CZ 4.22Å; F131-Y133 HydrophobicContact CB-CE2 4.21Å; F131-L158 HydrophobicContact CB-CD1 4.31Å; F131-L158 HydrophobicContact CD1-CD2 4.26Å; F131-L158 HydrophobicContact CD2-CD1 3.95Å; F131-L158 HydrophobicContact CD2-CD2 3.8Å; F131-L158 HydrophobicContact CD2-CG 4.49Å; F131-L158 HydrophobicContact CE1-CD2 4.11Å; F131-L158 HydrophobicContact CE2-CD2 3.64Å; F131-L158 HydrophobicContact CG-CD1 4.19Å; F131-L158 HydrophobicContact CG-CD2 4.12Å; F131-L158 HydrophobicContact CZ-CD2 3.8Å; F131-A162 HydrophobicContact CD2-CB 4.29Å; F131-A162 HydrophobicContact CE2-CB 4.33Å; F131-L163 PolarHBondContact N-O 2.82Å; F131-V164 HydrophobicContact CB-CG1 4.26Å; F131-V164 VanDerWaalsContact O-CA 3.25Å; F131-V164 WeakPolarHBondContact O-CA 3.27Å; F131-G165 PolarHBondContact O-N 2.88Å; F131-R285 HydrophobicContact CD1-CB 4.09Å; F131-R285 HydrophobicContact CD1-CG 4.35Å; F131-R285 HydrophobicContact CE1-CB 4.43Å; F131-R285 HydrophobicContact CE1-CG 4.19Å; F131-M287 HydrophobicContact CB-CE 3.85Å; F131-M287 HydrophobicContact CD1-CE 3.83Å; F131-M287 HydrophobicContact CD1-SD 4.21Å; F131-M287 HydrophobicContact CG-CE 4.3Å; F131-F390 HydrophobicContact CD1-CE1 4.34Å; F131-F390 AromaticContact CE1-CE1 3.95Å; F131-F390 HydrophobicContact CE1-CE1 3.95Å; F131-F398 HydrophobicContact CZ-CD2 4.44Å; F131-F398 HydrophobicContact CZ-CE2 4.16Å; F131-M400 HydrophobicContact CE1-SD 4.36Å; F131-M400 HydrophobicContact CZ-SD 4.42Å
132	L	98.8	Very high	93.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	110.8	179.5	-178.1	58.4	0	0	0	109.2	V134 I167 L230 A271 L274 L275 R285 I286 M287	L132-V134 HydrophobicContact CG-CG2 4.29Å; L132-I167 HydrophobicContact CD1-CD1 4.26Å; L132-I167 HydrophobicContact CD1-CG1 4.17Å; L132-I167 HydrophobicContact CD2-CD1 4.11Å; L132-I167 HydrophobicContact CG-CD1 4.46Å; L132-L230 HydrophobicContact CD1-CD2 4.49Å; L132-A271 HydrophobicContact CD2-CB 3.78Å; L132-L274 HydrophobicContact CD2-CD2 4.45Å; L132-L275 HydrophobicContact CB-CD1 4.41Å; L132-L275 HydrophobicContact CD2-CD1 4.14Å; L132-L275 HydrophobicContact CD2-CD2 4.18Å; L132-L275 HydrophobicContact CD2-CG 3.94Å; L132-R285 PolarHBondContact N-O 2.87Å; L132-I286 HydrophobicContact CD2-CG1 4.44Å; L132-M287 PolarHBondContact O-N 2.87Å
133	Y	98.8	Very high	94	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.02	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.1	177.1	-65.3	-100.7	0	0	0	109.1	F131 M151 S154 V164 G165 I167 M287 F289 F386	F131-Y133 HydrophobicContact CB-CE2 4.21Å; Y133-M151 HydrophobicContact CD1-CB 4.38Å; Y133-M151 HydrophobicContact CD1-CG 3.99Å; Y133-M151 HydrophobicContact CD1-SD 3.88Å; Y133-M151 HydrophobicContact CE1-CB 4.26Å; Y133-M151 HydrophobicContact CE1-CG 4.17Å; Y133-S154 WeakPolarHBondContact CE1-OG 3.3Å; Y133-S154 PolarHBondContact OH-OG 3.04Å; Y133-V164 HydrophobicContact CE2-CG1 4.44Å; Y133-G165 PolarHBondContact N-O 2.88Å; Y133-I167 PolarHBondContact O-N 2.78Å; Y133-M287 HydrophobicContact CD1-CE 3.82Å; Y133-M287 HydrophobicContact CD2-CE 3.99Å; Y133-M287 HydrophobicContact CE1-CE 3.47Å; Y133-M287 VanDerWaalsContact CE1-CE 3.47Å; Y133-M287 HydrophobicContact CE2-CE 3.64Å; Y133-M287 HydrophobicContact CG-CE 4.07Å; Y133-F289 AromaticContact CD1-CE2 3.84Å; Y133-F289 HydrophobicContact CD1-CE2 3.84Å; Y133-F289 HydrophobicContact CD1-CZ 4.27Å; Y133-F386 HydrophobicContact CE1-CZ 4.45Å
134	V	98.9	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	101.1	178.2	-172.9	0	0	0	0	108.2	L132 I167 F169 A267 A271 I286 M287 M288 F289	L132-V134 HydrophobicContact CG-CG2 4.29Å; V134-I167 CarbonylContact C-O 3.56Å; V134-I167 VanDerWaalsContact CA-O 3.29Å; V134-I167 WeakPolarHBondContact CA-O 3.24Å; V134-I167 HydrophobicContact CG1-CB 4.43Å; V134-I167 HydrophobicContact CG1-CG2 4.27Å; V134-I167 HydrophobicContact CG2-CB 4.39Å; V134-F169 HydrophobicContact CG1-CD1 3.98Å; V134-F169 HydrophobicContact CG1-CE1 3.96Å; V134-A267 HydrophobicContact CG1-CB 4.07Å; V134-A271 HydrophobicContact CG2-CB 3.71Å; V134-I286 HydrophobicContact CG2-CG2 3.68Å; V134-M287 PolarHBondContact N-O 3.48Å; V134-M288 HydrophobicContact CB-CB 4.38Å; V134-M288 HydrophobicContact CB-CG 4.33Å; V134-M288 HydrophobicContact CG1-CG 4.3Å; V134-M288 WeakPolarHBondContact O-CA 3.3Å; V134-F289 PolarHBondContact O-N 3.25Å
135	V	98.9	Very high	96.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.6	-161.8	-173	0	0	0	0	110.7	L147 M151 L166 I167 T168 F169 F289	V135-L147 HydrophobicContact CG1-CD2 3.98Å; V135-M151 HydrophobicContact CG1-CE 3.96Å; V135-M151 HydrophobicContact CG1-SD 4.38Å; V135-M151 HydrophobicContact CG2-CE 3.9Å; V135-M151 HydrophobicContact CG2-SD 3.42Å; V135-M151 WeakPolarHBondContact CG2-SD 3.25Å; V135-L166 HydrophobicContact CG2-CD1 3.82Å; V135-I167 PolarHBondContact N-O 2.84Å; V135-T168 HydrophobicContact CB-CG2 4.36Å; V135-T168 CarbonylContact O-C 3.43Å; V135-T168 VanDerWaalsContact O-CA 3.31Å; V135-T168 WeakPolarHBondContact O-CA 3.3Å; V135-F169 VanDerWaalsContact O-CD1 3.27Å; V135-F169 WeakPolarHBondContact O-CD1 3.49Å; V135-F169 PolarHBondContact O-N 3.37Å; V135-F289 HydrophobicContact CG2-CD2 4.29Å
136	D	98.9	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.6	169.1	177.1	24.9	0	0	0	111.3	C138 M139 F169 R262 F289 G291	D136-C138 WeakPolarHBondContact OD1-CB 3.35Å; D136-C138 PolarHBondContact OD1-N 3.48Å; D136-M139 HydrophobicContact CB-CE 3.81Å; D136-M139 WeakPolarHBondContact O-CE 3.4Å; D136-F169 CarbonylContact C-O 3.57Å; D136-F169 WeakPolarHBondContact CA-O 3.09Å; D136-F169 HydrophobicContact CB-CE1 3.83Å; D136-F169 HydrophobicContact CB-CE2 4.14Å; D136-F169 HydrophobicContact CB-CZ 3.59Å; D136-F169 VanDerWaalsContact N-CE1 3.3Å; D136-R262 IonicContact OD1-CZ 3.3Å; D136-R262 IonicContact OD1-NE 2.92Å; D136-R262 IonicContact OD2-CZ 3.6Å; D136-R262 IonicContact OD2-NE 3.8Å; D136-R262 PolarHBondContact OD2-NE 3.09Å; D136-R262 IonicContact OD2-NH1 2.78Å; D136-R262 PolarHBondContact OD2-NH1 3.46Å; D136-R262 IonicContact OD2-NH2 3.52Å; D136-F289 WeakPolarHBondContact CB-O 3.48Å; D136-F289 PolarHBondContact N-O 3.47Å; D136-G291 PolarHBondContact OD2-N 2.82Å
137	T	98.7	Very high	97.6	Very high	12 Å²	12	27.6 Å²	27.6	7%	0.074	14%	0.137	C	C	.	.			trans	-111.5	4.3	176.9	62.3	0	0	0	0	112.6	M139 F169 R249 D250	T137-M139 VanDerWaalsContact C-N 3.34Å; T137-M139 PolarHBondContact O-N 3.39Å; T137-F169 PolarHBondContact N-O 3.12Å; T137-F169 PolarHBondContact OG1-O 2.85Å; T137-R249 CarbonylContact O-C 3.54Å; T137-R249 WeakPolarHBondContact O-CA 3.28Å; T137-D250 PolarHBondContact O-N 3.27Å
138	C	98.4	Very high	98	Very high	11 Å²	11	25.5 Å²	25.5	7%	0.074	13%	0.127	C	C	.	.			trans	-91.2	53.5	178.4	-68.2	0	0	0	0	112.8	D136 G170 D250 P260 R262	D136-C138 WeakPolarHBondContact OD1-CB 3.35Å; D136-C138 PolarHBondContact OD1-N 3.48Å; C138-G170 WeakPolarHBondContact SG-CA 3.29Å; C138-D250 VanDerWaalsContact SG-CB 3.58Å; C138-P260 HydrophobicContact CB-CB 3.7Å; C138-P260 HydrophobicContact CB-CG 4.29Å; C138-R262 PolarHBondContact O-NH2 2.69Å
139	M	97.4	Very high	98.2	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.059	14%	0.141	C	C	.	.	S	Bend	trans	-136.4	177.4	178	65.5	-171	73.9	0	0	111.3	D136 T137 D143 L144 L147 R249 F377	D136-M139 HydrophobicContact CB-CE 3.81Å; D136-M139 WeakPolarHBondContact O-CE 3.4Å; T137-M139 VanDerWaalsContact C-N 3.34Å; T137-M139 PolarHBondContact O-N 3.39Å; M139-D143 HydrophobicContact CB-CB 4.45Å; M139-D143 HydrophobicContact CG-CB 4.2Å; M139-D143 HydrophobicContact SD-CB 4.01Å; M139-L144 HydrophobicContact CG-CB 3.95Å; M139-L144 HydrophobicContact SD-CB 4.28Å; M139-L144 HydrophobicContact SD-CD1 4.37Å; M139-L147 HydrophobicContact CE-CD2 4.21Å; M139-L147 HydrophobicContact SD-CD2 4.29Å; M139-R249 WeakPolarHBondContact O-CD 3.43Å; M139-R249 WeakPolarHBondContact O-CG 3.49Å; M139-R249 PolarHBondContact O-NE 3.23Å; M139-R249 VanDerWaalsContact O-NE 3.15Å; M139-F377 HydrophobicContact CE-CD2 4.33Å; M139-F377 HydrophobicContact CE-CE2 3.78Å; M139-F377 HydrophobicContact SD-CD2 3.73Å; M139-F377 HydrophobicContact SD-CE2 3.8Å
140	E	96.9	Very high	98.3	Very high	109 Å²	109	28.9 Å²	28.9	51%	0.509	14%	0.142	S	C	.	.			trans	-73.4	157	177.3	-65.3	-52.7	127.3	0	0	112	E142 D143 L144 R249	E140-E142 VanDerWaalsContact C-N 3.32Å; E140-E142 PolarHBondContact O-N 3.38Å; E140-D143 PolarHBondContact O-N 3.3Å; E140-L144 PolarHBondContact O-N 3.25Å; E140-R249 VanDerWaalsContact CD-NH2 3.34Å; E140-R249 IonicContact OE1-CZ 3.4Å; E140-R249 IonicContact OE1-NH1 2.85Å; E140-R249 IonicContact OE1-NH2 3.24Å; E140-R249 PolarHBondContact OE1-NH2 2.92Å; E140-R249 IonicContact OE2-CZ 3.35Å; E140-R249 IonicContact OE2-NH1 2.84Å; E140-R249 PolarHBondContact OE2-NH1 3.29Å; E140-R249 IonicContact OE2-NH2 3.72Å; E140-R249 PolarHBondContact OE2-NH2 2.85Å
141	D	97.6	Very high	98.3	Very high	84 Å²	84	28.8 Å²	28.8	45%	0.449	14%	0.141	S	C	.	.	H	α-helix	trans	-62.8	-37.2	-174.1	-70.5	-61	0	0	0	112.7	L144 Q145 R249	D141-L144 PolarHBondContact O-N 3Å; D141-Q145 WeakPolarHBondContact O-CB 3.42Å; D141-Q145 PolarHBondContact O-N 2.78Å; D141-R249 WeakPolarHBondContact OD1-CD 3.4Å; D141-R249 VanDerWaalsContact OD1-CG 3.29Å; D141-R249 WeakPolarHBondContact OD1-CG 3.35Å; D141-R249 WeakPolarHBondContact OD2-CD 3.33Å; D141-R249 IonicContact OD2-NH1 2.67Å; D141-R249 PolarHBondContact OD2-NH1 3.21Å
142	E	97.8	Very high	98.3	Very high	145 Å²	145	31.3 Å²	31.3	68%	0.678	15%	0.153	S	C	*	.	H	α-helix	trans	-63.6	-42.4	177.3	-64.7	-175.6	-172.5	0	0	112.2	E140 A146	E140-E142 VanDerWaalsContact C-N 3.32Å; E140-E142 PolarHBondContact O-N 3.38Å; E142-A146 WeakPolarHBondContact O-CB 3.25Å; E142-A146 PolarHBondContact O-N 3.42Å
143	D	98	Very high	98.2	Very high	32 Å²	32	33.9 Å²	33.9	17%	0.171	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-46.4	176.5	-81	-41.9	0	0	0	111.2	M139 E140 Q145 A146 L147 S376 F377	M139-D143 HydrophobicContact CB-CB 4.45Å; M139-D143 HydrophobicContact CG-CB 4.2Å; M139-D143 HydrophobicContact SD-CB 4.01Å; E140-D143 PolarHBondContact O-N 3.3Å; D143-Q145 VanDerWaalsContact C-N 3.33Å; D143-Q145 PolarHBondContact O-N 2.88Å; D143-A146 PolarHBondContact O-N 3.42Å; D143-L147 WeakPolarHBondContact O-CB 3.18Å; D143-L147 PolarHBondContact O-N 3.39Å; D143-S376 VanDerWaalsContact OD1-CB 3.25Å; D143-S376 WeakPolarHBondContact OD1-CB 3.31Å; D143-S376 PolarHBondContact OD1-OG 3.26Å; D143-F377 HydrophobicContact CB-CD2 4.42Å; D143-F377 PolarHBondContact OD1-N 3.03Å
144	L	98.4	Very high	98.2	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-41	179.5	-174.5	59.8	0	0	0	110.9	M139 E140 D141 L147 K148 Q248 R249	M139-L144 HydrophobicContact CG-CB 3.95Å; M139-L144 HydrophobicContact SD-CB 4.28Å; M139-L144 HydrophobicContact SD-CD1 4.37Å; E140-L144 PolarHBondContact O-N 3.25Å; D141-L144 PolarHBondContact O-N 3Å; L144-L147 PolarHBondContact O-N 3.06Å; L144-K148 HydrophobicContact CG-CD 4.08Å; L144-K148 WeakPolarHBondContact O-CD 3.35Å; L144-K148 WeakPolarHBondContact O-CG 3.29Å; L144-K148 PolarHBondContact O-N 3.35Å; L144-Q248 VanDerWaalsContact CD2-C 3.48Å; L144-R249 HydrophobicContact CD2-CG 4.28Å
145	Q	98.4	Very high	98	Very high	81 Å²	81	33.9 Å²	33.9	38%	0.379	17%	0.166	S	C	.	.	H	α-helix	trans	-63.2	-46.6	177.4	-174.2	58.2	28	0	0	112	D141 D143 L147 K148 E149	D141-Q145 WeakPolarHBondContact O-CB 3.42Å; D141-Q145 PolarHBondContact O-N 2.78Å; D143-Q145 VanDerWaalsContact C-N 3.33Å; D143-Q145 PolarHBondContact O-N 2.88Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 3.2Å; Q145-K148 WeakPolarHBondContact O-CB 3.39Å; Q145-K148 PolarHBondContact O-N 2.88Å; Q145-E149 WeakPolarHBondContact O-CG 3.29Å; Q145-E149 PolarHBondContact O-N 3.4Å; Q145-E149 VanDerWaalsContact O-N 3.07Å
146	A	98.4	Very high	97.9	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-35.6	175.3	0	0	0	0	0	112.8	E142 D143 S150 N378	E142-A146 WeakPolarHBondContact O-CB 3.25Å; E142-A146 PolarHBondContact O-N 3.42Å; D143-A146 PolarHBondContact O-N 3.42Å; A146-S150 WeakPolarHBondContact O-CB 3.38Å; A146-S150 PolarHBondContact O-N 2.89Å; A146-S150 VanDerWaalsContact O-N 3.12Å; A146-S150 PolarHBondContact O-OG 2.66Å; A146-N378 HydrophobicContact CB-CB 3.62Å
147	L	98.6	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-42.4	174.8	179	58.6	0	0	0	111.5	V135 M139 D143 L144 Q145 E149 S150 M151 F289 F377 F382	V135-L147 HydrophobicContact CG1-CD2 3.98Å; M139-L147 HydrophobicContact CE-CD2 4.21Å; M139-L147 HydrophobicContact SD-CD2 4.29Å; D143-L147 WeakPolarHBondContact O-CB 3.18Å; D143-L147 PolarHBondContact O-N 3.39Å; L144-L147 PolarHBondContact O-N 3.06Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 3.2Å; L147-E149 PolarHBondContact O-N 3.4Å; L147-S150 PolarHBondContact O-N 3.34Å; L147-M151 HydrophobicContact CD1-CG 4.23Å; L147-M151 HydrophobicContact CG-CE 4.1Å; L147-M151 HydrophobicContact CG-SD 4.48Å; L147-M151 WeakPolarHBondContact O-CG 3.49Å; L147-M151 PolarHBondContact O-N 2.65Å; L147-F289 HydrophobicContact CD1-CB 4.11Å; L147-F289 HydrophobicContact CD1-CD1 3.42Å; L147-F289 VanDerWaalsContact CD1-CD1 3.42Å; L147-F289 HydrophobicContact CD1-CE1 3.97Å; L147-F289 HydrophobicContact CD1-CG 3.82Å; L147-F289 HydrophobicContact CD2-CB 3.78Å; L147-F289 HydrophobicContact CD2-CG 4.32Å; L147-F377 HydrophobicContact CB-CB 4.15Å; L147-F377 HydrophobicContact CB-CD2 4.38Å; L147-F377 HydrophobicContact CB-CG 4.11Å; L147-F377 HydrophobicContact CD1-CD1 3.98Å; L147-F377 HydrophobicContact CD1-CE1 4.11Å; L147-F377 HydrophobicContact CD1-CG 4.38Å; L147-F377 HydrophobicContact CD2-CD2 4.28Å; L147-F377 HydrophobicContact CD2-CE2 4.17Å; L147-F377 HydrophobicContact CD2-CZ 4.32Å; L147-F382 HydrophobicContact CD1-CE1 4.19Å; L147-F382 HydrophobicContact CD1-CZ 3.96Å
148	K	98.4	Very high	97.7	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-57.2	-49.3	175.6	-70.5	160.3	57.9	-175.3	0	111.3	L144 Q145 S150 M151 Q152 L244 G245 L247	L144-K148 HydrophobicContact CG-CD 4.08Å; L144-K148 WeakPolarHBondContact O-CD 3.35Å; L144-K148 WeakPolarHBondContact O-CG 3.29Å; L144-K148 PolarHBondContact O-N 3.35Å; Q145-K148 WeakPolarHBondContact O-CB 3.39Å; Q145-K148 PolarHBondContact O-N 2.88Å; K148-S150 VanDerWaalsContact C-N 3.31Å; K148-S150 PolarHBondContact O-N 3.29Å; K148-M151 PolarHBondContact O-N 2.67Å; K148-Q152 VanDerWaalsContact O-CG 3.31Å; K148-Q152 WeakPolarHBondContact O-CG 3.16Å; K148-Q152 PolarHBondContact O-N 3.42Å; K148-L244 WeakPolarHBondContact CD-O 3.37Å; K148-L244 WeakPolarHBondContact CE-O 3.47Å; K148-L244 VanDerWaalsContact CG-O 3.23Å; K148-L244 WeakPolarHBondContact CG-O 3.49Å; K148-G245 VanDerWaalsContact CE-C 3.49Å; K148-G245 WeakPolarHBondContact CE-O 3.41Å; K148-G245 PolarHBondContact NZ-O 3.28Å; K148-L247 HydrophobicContact CD-CB 4.05Å; K148-L247 HydrophobicContact CG-CB 4.33Å; K148-L247 PolarHBondContact NZ-O 3.46Å
149	E	98.2	Very high	97.6	Very high	89 Å²	89	41.5 Å²	41.5	42%	0.416	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-44.4	176	-70.3	167.8	-169.4	0	0	111.9	Q145 L147 Q152 M153 K383	Q145-E149 WeakPolarHBondContact O-CG 3.29Å; Q145-E149 PolarHBondContact O-N 3.4Å; Q145-E149 VanDerWaalsContact O-N 3.07Å; L147-E149 PolarHBondContact O-N 3.4Å; E149-Q152 PolarHBondContact O-N 2.83Å; E149-M153 WeakPolarHBondContact O-CB 3.29Å; E149-M153 PolarHBondContact O-N 3.14Å; E149-K383 IonicContact OE2-NZ 3.88Å
150	S	98.5	Very high	97.5	Very high	7 Å²	7	44.5 Å²	44.5	5%	0.049	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-41.5	179.4	-58.7	0	0	0	0	111.8	A146 L147 K148 M153 S154 F386	A146-S150 WeakPolarHBondContact O-CB 3.38Å; A146-S150 PolarHBondContact O-N 2.89Å; A146-S150 VanDerWaalsContact O-N 3.12Å; A146-S150 PolarHBondContact O-OG 2.66Å; L147-S150 PolarHBondContact O-N 3.34Å; K148-S150 VanDerWaalsContact C-N 3.31Å; K148-S150 PolarHBondContact O-N 3.29Å; S150-M153 PolarHBondContact O-N 3.12Å; S150-S154 PolarHBondContact O-N 3.1Å; S150-F386 WeakPolarHBondContact O-CE1 3.44Å
151	M	98.3	Very high	97.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-44.4	176.7	-68.4	-171.6	-65.7	0	0	112	Y133 V135 L147 K148 M153 S154 L155 L244 L247 F289	Y133-M151 HydrophobicContact CD1-CB 4.38Å; Y133-M151 HydrophobicContact CD1-CG 3.99Å; Y133-M151 HydrophobicContact CD1-SD 3.88Å; Y133-M151 HydrophobicContact CE1-CB 4.26Å; Y133-M151 HydrophobicContact CE1-CG 4.17Å; V135-M151 HydrophobicContact CG1-CE 3.96Å; V135-M151 HydrophobicContact CG1-SD 4.38Å; V135-M151 HydrophobicContact CG2-CE 3.9Å; V135-M151 HydrophobicContact CG2-SD 3.42Å; V135-M151 WeakPolarHBondContact CG2-SD 3.25Å; L147-M151 HydrophobicContact CD1-CG 4.23Å; L147-M151 HydrophobicContact CG-CE 4.1Å; L147-M151 HydrophobicContact CG-SD 4.48Å; L147-M151 WeakPolarHBondContact O-CG 3.49Å; L147-M151 PolarHBondContact O-N 2.65Å; K148-M151 PolarHBondContact O-N 2.67Å; M151-M153 VanDerWaalsContact C-N 3.34Å; M151-M153 PolarHBondContact O-N 2.9Å; M151-S154 PolarHBondContact O-N 2.87Å; M151-S154 VanDerWaalsContact O-N 3.11Å; M151-S154 PolarHBondContact O-OG 3.33Å; M151-L155 PolarHBondContact O-N 3.49Å; M151-L244 HydrophobicContact CB-CD1 4.03Å; M151-L244 HydrophobicContact CE-CD2 3.74Å; M151-L244 HydrophobicContact SD-CD2 4.25Å; M151-L247 HydrophobicContact CE-CD1 4.36Å; M151-F289 HydrophobicContact CG-CE2 4.49Å; M151-F289 HydrophobicContact CG-CZ 4.42Å; M151-F289 HydrophobicContact SD-CD2 4.34Å; M151-F289 HydrophobicContact SD-CE2 4.24Å
152	Q	97.8	Very high	97.4	Very high	52 Å²	52	39.5 Å²	39.5	24%	0.243	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-44.1	175	-71.4	171.7	-28.1	0	0	111.4	K148 E149 S154 L155 S156 T241 L244	K148-Q152 VanDerWaalsContact O-CG 3.31Å; K148-Q152 WeakPolarHBondContact O-CG 3.16Å; K148-Q152 PolarHBondContact O-N 3.42Å; E149-Q152 PolarHBondContact O-N 2.83Å; Q152-S154 VanDerWaalsContact C-N 3.33Å; Q152-S154 PolarHBondContact O-N 2.53Å; Q152-L155 WeakPolarHBondContact O-CB 3.48Å; Q152-L155 PolarHBondContact O-N 3.43Å; Q152-S156 PolarHBondContact O-N 2.72Å; Q152-T241 HydrophobicContact CG-CG2 4.12Å; Q152-T241 PolarHBondContact NE2-O 2.89Å; Q152-L244 HydrophobicContact CG-CB 3.95Å; Q152-L244 HydrophobicContact CG-CD1 4.09Å
153	M	97.3	Very high	97.4	Very high	55 Å²	55	32.8 Å²	32.8	27%	0.271	18%	0.184	S	C	.	.	H	α-helix	trans	-57.7	-46.6	172.7	176.7	-127.6	58.4	0	0	110.8	E149 S150 M151 L155 S156 L157 F386 Q387	E149-M153 WeakPolarHBondContact O-CB 3.29Å; E149-M153 PolarHBondContact O-N 3.14Å; S150-M153 PolarHBondContact O-N 3.12Å; M151-M153 VanDerWaalsContact C-N 3.34Å; M151-M153 PolarHBondContact O-N 2.9Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 PolarHBondContact O-N 3Å; M153-S156 WeakPolarHBondContact O-CB 3.09Å; M153-S156 PolarHBondContact O-N 3.23Å; M153-S156 PolarHBondContact O-OG 2.84Å; M153-L157 HydrophobicContact CE-CD1 4.05Å; M153-L157 HydrophobicContact SD-CD1 4.5Å; M153-F386 HydrophobicContact CE-CD1 4.31Å; M153-Q387 HydrophobicContact CE-CB 4.12Å; M153-Q387 HydrophobicContact CE-CG 4.29Å; M153-Q387 HydrophobicContact SD-CB 3.9Å; M153-Q387 HydrophobicContact SD-CG 3.79Å
154	S	97.5	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-37	-179.5	71.8	0	0	0	0	113	Y133 S150 M151 Q152 S156 L157 L158 F390	Y133-S154 WeakPolarHBondContact CE1-OG 3.3Å; Y133-S154 PolarHBondContact OH-OG 3.04Å; S150-S154 PolarHBondContact O-N 3.1Å; M151-S154 PolarHBondContact O-N 2.87Å; M151-S154 VanDerWaalsContact O-N 3.11Å; M151-S154 PolarHBondContact O-OG 3.33Å; Q152-S154 VanDerWaalsContact C-N 3.33Å; Q152-S154 PolarHBondContact O-N 2.53Å; S154-S156 VanDerWaalsContact C-N 3.27Å; S154-S156 PolarHBondContact O-N 3.07Å; S154-L157 WeakPolarHBondContact O-CB 3.3Å; S154-L157 PolarHBondContact O-N 3.23Å; S154-L158 WeakPolarHBondContact O-CG 3.12Å; S154-L158 PolarHBondContact O-N 3.48Å; S154-F390 VanDerWaalsContact CB-CE2 3.45Å
155	L	96.1	Very high	97.3	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-59.6	-39.4	177.4	-175.1	60.9	0	0	0	111.4	M151 Q152 M153 L157 L158 V164 V233 L240	M151-L155 PolarHBondContact O-N 3.49Å; Q152-L155 WeakPolarHBondContact O-CB 3.48Å; Q152-L155 PolarHBondContact O-N 3.43Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 PolarHBondContact O-N 3Å; L155-L157 PolarHBondContact O-N 3.34Å; L155-L158 HydrophobicContact CD1-CD1 4.09Å; L155-L158 PolarHBondContact O-N 3.12Å; L155-V164 HydrophobicContact CD1-CG1 4.02Å; L155-V164 HydrophobicContact CD1-CG2 4.31Å; L155-V233 HydrophobicContact CD1-CG1 3.99Å; L155-V233 HydrophobicContact CD1-CG2 4Å; L155-L240 HydrophobicContact CD1-CD2 3.97Å; L155-L240 HydrophobicContact CD2-CB 4.04Å; L155-L240 HydrophobicContact CD2-CD2 3.83Å; L155-L240 HydrophobicContact CD2-CG 3.95Å
156	S	96.1	Very high	97.3	Very high	93 Å²	93	27.4 Å²	27.4	65%	0.65	16%	0.157	S	C	*	.	H	α-helix	trans	-66	-20.2	177.1	78.2	0	0	0	0	114.1	Q152 M153 S154	Q152-S156 PolarHBondContact O-N 2.72Å; M153-S156 WeakPolarHBondContact O-CB 3.09Å; M153-S156 PolarHBondContact O-N 3.23Å; M153-S156 PolarHBondContact O-OG 2.84Å; S154-S156 VanDerWaalsContact C-N 3.27Å; S154-S156 PolarHBondContact O-N 3.07Å
157	L	96.8	Very high	97.3	Very high	43 Å²	43	27.3 Å²	27.3	23%	0.225	16%	0.157	C	C	.	.	H	α-helix	trans	-87.9	-21.4	-179.4	-60.3	176.6	0	0	0	112.9	M153 S154 L155 Q387 F390 K392 F398	M153-L157 HydrophobicContact CE-CD1 4.05Å; M153-L157 HydrophobicContact SD-CD1 4.5Å; S154-L157 WeakPolarHBondContact O-CB 3.3Å; S154-L157 PolarHBondContact O-N 3.23Å; L155-L157 PolarHBondContact O-N 3.34Å; L157-Q387 HydrophobicContact CD1-CG 4.48Å; L157-F390 HydrophobicContact CB-CB 4.28Å; L157-F390 HydrophobicContact CD1-CB 3.8Å; L157-F390 HydrophobicContact CD1-CG 4.38Å; L157-K392 WeakPolarHBondContact O-CE 3.46Å; L157-K392 PolarHBondContact O-NZ 3.41Å; L157-K392 VanDerWaalsContact O-NZ 3.11Å; L157-F398 HydrophobicContact CB-CE1 4.4Å; L157-F398 HydrophobicContact CB-CZ 4.36Å; L157-F398 WeakPolarHBondContact O-CZ 3.26Å
158	L	96.9	Very high	97.3	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	16%	0.158	C	C	.	.	S	Bend	trans	-65.9	149.5	-173.7	-62.7	-173.8	0	0	0	112.5	F131 S154 L155 V164 V233 F390 F398	F131-L158 HydrophobicContact CB-CD1 4.31Å; F131-L158 HydrophobicContact CD1-CD2 4.26Å; F131-L158 HydrophobicContact CD2-CD1 3.95Å; F131-L158 HydrophobicContact CD2-CD2 3.8Å; F131-L158 HydrophobicContact CD2-CG 4.49Å; F131-L158 HydrophobicContact CE1-CD2 4.11Å; F131-L158 HydrophobicContact CE2-CD2 3.64Å; F131-L158 HydrophobicContact CG-CD1 4.19Å; F131-L158 HydrophobicContact CG-CD2 4.12Å; F131-L158 HydrophobicContact CZ-CD2 3.8Å; S154-L158 WeakPolarHBondContact O-CG 3.12Å; S154-L158 PolarHBondContact O-N 3.48Å; L155-L158 HydrophobicContact CD1-CD1 4.09Å; L155-L158 PolarHBondContact O-N 3.12Å; L158-V164 HydrophobicContact CD1-CG1 3.47Å; L158-V164 VanDerWaalsContact CD1-CG1 3.47Å; L158-V233 HydrophobicContact CB-CG2 4.03Å; L158-V233 HydrophobicContact CD1-CG2 3.96Å; L158-F390 HydrophobicContact CD2-CD1 3.99Å; L158-F390 HydrophobicContact CD2-CE1 3.76Å; L158-F398 HydrophobicContact CD2-CE2 3.83Å; L158-F398 HydrophobicContact CD2-CZ 3.95Å
159	P	96.4	Very high	97.3	Very high	37 Å²	37	27.1 Å²	27.1	24%	0.24	16%	0.156	C	C	.	.			trans	-57	139.5	169.8	-25.1	32.9	0	0	0	111.2	L129 T161 A162 F398	L129-P159 HydrophobicContact CD1-CG 4.45Å; P159-T161 PolarHBondContact O-N 2.92Å; P159-A162 HydrophobicContact CB-CB 4.36Å; P159-A162 VanDerWaalsContact O-CB 3.26Å; P159-A162 WeakPolarHBondContact O-CB 3.36Å; P159-A162 PolarHBondContact O-N 2.81Å; P159-F398 HydrophobicContact CG-CD2 4.48Å; P159-F398 HydrophobicContact CG-CE2 4.19Å
160	P	95.6	Very high	97.4	Very high	75 Å²	75	22.9 Å²	22.9	49%	0.487	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-32.3	-179.1	-29.7	36	0	0	0	114.4	Q234	P160-Q234 HydrophobicContact CB-CB 4Å; P160-Q234 HydrophobicContact CB-CG 4.47Å; P160-Q234 WeakPolarHBondContact O-CB 3.26Å; P160-Q234 WeakPolarHBondContact O-CG 3.43Å; P160-Q234 PolarHBondContact O-N 2.81Å; P160-Q234 VanDerWaalsContact O-N 3.09Å
161	T	94.9	Very high	97.3	Very high	86 Å²	86	26.4 Å²	26.4	53%	0.528	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.6	-179	58.7	0	0	0	0	114.1	P128 P159	P128-T161 WeakPolarHBondContact CB-O 2.9Å; P159-T161 PolarHBondContact O-N 2.92Å
162	A	96.7	Very high	97.3	Very high	1 Å²	1	29 Å²	29	1%	0.008	16%	0.162	C	C	.	.			trans	-61.9	143.5	178.7	0	0	0	0	0	110.2	L129 F131 P159 P232 V233	L129-A162 HydrophobicContact CB-CB 4.35Å; L129-A162 CarbonylContact O-C 3.58Å; L129-A162 VanDerWaalsContact O-CA 3.29Å; L129-A162 WeakPolarHBondContact O-CA 3.31Å; F131-A162 HydrophobicContact CD2-CB 4.29Å; F131-A162 HydrophobicContact CE2-CB 4.33Å; P159-A162 HydrophobicContact CB-CB 4.36Å; P159-A162 VanDerWaalsContact O-CB 3.26Å; P159-A162 WeakPolarHBondContact O-CB 3.36Å; P159-A162 PolarHBondContact O-N 2.81Å; A162-P232 CarbonylContact O-C 3.55Å; A162-P232 VanDerWaalsContact O-CA 3.27Å; A162-P232 WeakPolarHBondContact O-CA 3.31Å; A162-V233 HydrophobicContact CB-CG2 4.23Å; A162-V233 WeakPolarHBondContact O-CG2 3.42Å; A162-V233 PolarHBondContact O-N 2.69Å
163	L	97	Very high	97.4	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.1	174	-57.7	179.9	0	0	0	109.4	P128 L129 I130 F131 L230 Q231 P232 F279	P128-L163 HydrophobicContact CB-CG 4.44Å; P128-L163 HydrophobicContact CG-CD1 4.1Å; P128-L163 HydrophobicContact CG-CG 3.96Å; L129-L163 PolarHBondContact O-N 2.9Å; I130-L163 CarbonylContact C-O 3.57Å; I130-L163 VanDerWaalsContact CA-O 3.31Å; I130-L163 WeakPolarHBondContact CA-O 3.21Å; I130-L163 HydrophobicContact CD1-CD1 4.43Å; I130-L163 HydrophobicContact CG1-CB 4.24Å; I130-L163 HydrophobicContact CG1-CD1 4.28Å; I130-L163 HydrophobicContact CG2-CB 4.36Å; F131-L163 PolarHBondContact N-O 2.82Å; L163-L230 HydrophobicContact CB-CB 4.33Å; L163-Q231 CarbonylContact C-O 3.47Å; L163-Q231 WeakPolarHBondContact CA-O 3.23Å; L163-P232 HydrophobicContact CD2-CB 4.41Å; L163-P232 HydrophobicContact CD2-CG 3.85Å; L163-F279 HydrophobicContact CD1-CE1 3.94Å; L163-F279 HydrophobicContact CD1-CE2 3.89Å; L163-F279 HydrophobicContact CD1-CZ 3.48Å; L163-F279 VanDerWaalsContact CD1-CZ 3.48Å
164	V	97.6	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.4	175.2	-66.2	0	0	0	0	111.4	F131 Y133 L155 L158 L230 Q231 V233 I236 L240	F131-V164 HydrophobicContact CB-CG1 4.26Å; F131-V164 VanDerWaalsContact O-CA 3.25Å; F131-V164 WeakPolarHBondContact O-CA 3.27Å; Y133-V164 HydrophobicContact CE2-CG1 4.44Å; L155-V164 HydrophobicContact CD1-CG1 4.02Å; L155-V164 HydrophobicContact CD1-CG2 4.31Å; L158-V164 HydrophobicContact CD1-CG1 3.47Å; L158-V164 VanDerWaalsContact CD1-CG1 3.47Å; V164-L230 WeakPolarHBondContact O-CA 3.46Å; V164-Q231 PolarHBondContact N-O 3.16Å; V164-Q231 PolarHBondContact O-N 3.26Å; V164-Q231 VanDerWaalsContact O-N 3.12Å; V164-V233 HydrophobicContact CB-CG2 4.46Å; V164-V233 HydrophobicContact CG1-CG2 3.52Å; V164-V233 HydrophobicContact CG2-CG2 4.09Å; V164-I236 HydrophobicContact CG2-CD1 3.35Å; V164-I236 HydrophobicContact CG2-CG1 4.46Å; V164-L240 HydrophobicContact CB-CD2 4.11Å; V164-L240 HydrophobicContact CG2-CD2 3.56Å
165	G	97.5	Very high	97.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160	173	0	0	0	0	0	111.1	F131 Y133 F229	F131-G165 PolarHBondContact O-N 2.88Å; Y133-G165 PolarHBondContact N-O 2.88Å; G165-F229 WeakPolarHBondContact CA-O 3.43Å
166	L	98.4	Very high	97.5	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.7	-179.5	-179.9	64.9	0	0	0	111.1	V135 T168 H176 L240 L243 L244	V135-L166 HydrophobicContact CG2-CD1 3.82Å; L166-T168 HydrophobicContact CD1-CG2 4.11Å; L166-T168 HydrophobicContact CD2-CG2 4.23Å; L166-T168 HydrophobicContact CG-CG2 4.1Å; L166-H176 HydrophobicContact CB-CB 4.33Å; L166-H176 PolarHBondContact O-N 2.89Å; L166-H176 VanDerWaalsContact O-N 3.1Å; L166-L240 HydrophobicContact CB-CD1 4.25Å; L166-L240 HydrophobicContact CD2-CD1 4.16Å; L166-L243 HydrophobicContact CD2-CD1 4.36Å; L166-L243 HydrophobicContact CD2-CD2 3.29Å; L166-L243 HydrophobicContact CD2-CG 4.43Å; L166-L244 HydrophobicContact CD1-CD2 4.14Å; L166-L244 HydrophobicContact CD2-CD2 4.16Å
167	I	98.8	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.3	166.8	-63.8	176.3	0	0	0	106.7	L132 Y133 V134 V135 V173 Q174 V175 I270 A271 L274	L132-I167 HydrophobicContact CD1-CD1 4.26Å; L132-I167 HydrophobicContact CD1-CG1 4.17Å; L132-I167 HydrophobicContact CD2-CD1 4.11Å; L132-I167 HydrophobicContact CG-CD1 4.46Å; Y133-I167 PolarHBondContact O-N 2.78Å; V134-I167 CarbonylContact C-O 3.56Å; V134-I167 VanDerWaalsContact CA-O 3.29Å; V134-I167 WeakPolarHBondContact CA-O 3.24Å; V134-I167 HydrophobicContact CG1-CB 4.43Å; V134-I167 HydrophobicContact CG1-CG2 4.27Å; V134-I167 HydrophobicContact CG2-CB 4.39Å; V135-I167 PolarHBondContact N-O 2.84Å; I167-V173 HydrophobicContact CG2-CG1 3.64Å; I167-Q174 CarbonylContact C-O 3.5Å; I167-Q174 VanDerWaalsContact CA-O 3.28Å; I167-Q174 WeakPolarHBondContact CA-O 3.32Å; I167-V175 HydrophobicContact CD1-CG2 4.34Å; I167-V175 HydrophobicContact CG1-CG1 4.4Å; I167-V175 HydrophobicContact CG1-CG2 4.21Å; I167-I270 HydrophobicContact CD1-CG2 4.29Å; I167-A271 HydrophobicContact CD1-CB 3.8Å; I167-L274 HydrophobicContact CD1-CD2 4.41Å
168	T	98.8	Very high	97	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.037	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	148	170.2	59.7	0	0	0	0	109.5	V135 L166 Q174 H176 L247	V135-T168 HydrophobicContact CB-CG2 4.36Å; V135-T168 CarbonylContact O-C 3.43Å; V135-T168 VanDerWaalsContact O-CA 3.31Å; V135-T168 WeakPolarHBondContact O-CA 3.3Å; L166-T168 HydrophobicContact CD1-CG2 4.11Å; L166-T168 HydrophobicContact CD2-CG2 4.23Å; L166-T168 HydrophobicContact CG-CG2 4.1Å; T168-Q174 PolarHBondContact N-O 3.24Å; T168-Q174 PolarHBondContact O-N 3.28Å; T168-H176 PolarHBondContact OG1-NE2 3.5Å; T168-L247 HydrophobicContact CG2-CD1 4.16Å; T168-L247 HydrophobicContact CG2-CD2 3.76Å
169	F	98.9	Very high	95.8	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	150.4	179.6	75.6	-81.1	0	0	0	113.2	V134 V135 D136 T137 M172 V173 R262 A267 M288 I290	V134-F169 HydrophobicContact CG1-CD1 3.98Å; V134-F169 HydrophobicContact CG1-CE1 3.96Å; V135-F169 VanDerWaalsContact O-CD1 3.27Å; V135-F169 WeakPolarHBondContact O-CD1 3.49Å; V135-F169 PolarHBondContact O-N 3.37Å; D136-F169 CarbonylContact C-O 3.57Å; D136-F169 WeakPolarHBondContact CA-O 3.09Å; D136-F169 HydrophobicContact CB-CE1 3.83Å; D136-F169 HydrophobicContact CB-CE2 4.14Å; D136-F169 HydrophobicContact CB-CZ 3.59Å; D136-F169 VanDerWaalsContact N-CE1 3.3Å; T137-F169 PolarHBondContact N-O 3.12Å; T137-F169 PolarHBondContact OG1-O 2.85Å; F169-M172 VanDerWaalsContact CA-O 3.25Å; F169-M172 WeakPolarHBondContact CA-O 3.42Å; F169-V173 HydrophobicContact CB-CB 4.42Å; F169-V173 HydrophobicContact CB-CG1 4.37Å; F169-V173 HydrophobicContact CB-CG2 4.14Å; F169-R262 HydrophobicContact CD2-CG 4.39Å; F169-R262 HydrophobicContact CE2-CG 3.78Å; F169-A267 HydrophobicContact CB-CB 3.81Å; F169-A267 HydrophobicContact CD1-CB 3.65Å; F169-A267 HydrophobicContact CD2-CB 3.91Å; F169-A267 HydrophobicContact CE1-CB 4.17Å; F169-A267 HydrophobicContact CE2-CB 4.39Å; F169-A267 HydrophobicContact CG-CB 3.5Å; F169-A267 VanDerWaalsContact CG-CB 3.5Å; F169-A267 HydrophobicContact CZ-CB 4.5Å; F169-M288 HydrophobicContact CE1-CE 4.12Å; F169-M288 HydrophobicContact CZ-CE 3.74Å; F169-I290 HydrophobicContact CZ-CG2 4.07Å
170	G	98.4	Very high	94.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	14%	0.135	C	C	.	.	S	Bend	trans	-145.7	-109.2	167.6	0	0	0	0	0	107.5	C138 M172 L261 S263	C138-G170 WeakPolarHBondContact SG-CA 3.29Å; G170-M172 VanDerWaalsContact C-N 3.32Å; G170-M172 PolarHBondContact N-O 3.03Å; G170-L261 CarbonylContact C-O 3.21Å; G170-S263 PolarHBondContact O-N 2.99Å; G170-S263 VanDerWaalsContact O-N 3.12Å
171	R	98.3	Very high	94	Very high	81 Å²	81	28.8 Å²	28.8	31%	0.306	15%	0.152	S	C	.	.	S	Bend	trans	-68.5	-31.6	167.7	-175.5	178.9	179.9	170.7	3.2	113	D250 W252 L261 Q296	R171-D250 PolarHBondContact N-OD2 2.84Å; R171-W252 HydrophobicContact CB-CG 4.23Å; R171-L261 VanDerWaalsContact CA-O 3.26Å; R171-L261 WeakPolarHBondContact CA-O 3.28Å; R171-L261 HydrophobicContact CB-CB 4.24Å; R171-L261 HydrophobicContact CG-CB 4.13Å; R171-L261 HydrophobicContact CG-CD1 4.23Å; R171-L261 PolarHBondContact N-O 2.88Å; R171-L261 VanDerWaalsContact N-O 3.1Å; R171-Q296 PolarHBondContact O-OE1 2.83Å
172	M	98.3	Very high	93.1	Very high	54 Å²	54	29.2 Å²	29.2	27%	0.266	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	161.3	176.2	-56.1	-61.2	178.7	0	0	109.4	F169 G170 V188 W252	F169-M172 VanDerWaalsContact CA-O 3.25Å; F169-M172 WeakPolarHBondContact CA-O 3.42Å; G170-M172 VanDerWaalsContact C-N 3.32Å; G170-M172 PolarHBondContact N-O 3.03Å; M172-V188 HydrophobicContact CB-CG1 3.78Å; M172-V188 HydrophobicContact CG-CG1 4.24Å; M172-W252 HydrophobicContact CE-CZ2 4.27Å
173	V	98.8	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.6	173.4	-175.3	0	0	0	0	108.7	I167 F169 V188 F189 V266 A267 I270	I167-V173 HydrophobicContact CG2-CG1 3.64Å; F169-V173 HydrophobicContact CB-CB 4.42Å; F169-V173 HydrophobicContact CB-CG1 4.37Å; F169-V173 HydrophobicContact CB-CG2 4.14Å; V173-V188 CarbonylContact O-C 3.54Å; V173-V188 WeakPolarHBondContact O-CA 3.35Å; V173-F189 HydrophobicContact CB-CB 4.47Å; V173-F189 PolarHBondContact N-O 3.36Å; V173-F189 PolarHBondContact O-N 3.39Å; V173-V266 HydrophobicContact CG2-CB 4.34Å; V173-V266 HydrophobicContact CG2-CG1 4.1Å; V173-A267 HydrophobicContact CG1-CB 4.1Å; V173-A267 HydrophobicContact CG2-CB 3.96Å; V173-I270 HydrophobicContact CB-CD1 3.97Å; V173-I270 HydrophobicContact CG1-CD1 3.85Å; V173-I270 HydrophobicContact CG2-CD1 4.35Å
174	Q	98.4	Very high	91.7	Very high	70 Å²	70	38.3 Å²	38.3	33%	0.327	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.9	180	-57.7	-171.4	-4.8	0	0	110.5	I167 T168 Y187 V188	I167-Q174 CarbonylContact C-O 3.5Å; I167-Q174 VanDerWaalsContact CA-O 3.28Å; I167-Q174 WeakPolarHBondContact CA-O 3.32Å; T168-Q174 PolarHBondContact N-O 3.24Å; T168-Q174 PolarHBondContact O-N 3.28Å; Q174-Y187 CarbonylContact C-O 3.53Å; Q174-Y187 WeakPolarHBondContact CA-O 3.42Å; Q174-V188 HydrophobicContact CG-CG1 4.45Å; Q174-V188 HydrophobicContact CG-CG2 4.17Å
175	V	98.1	Very high	91.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115	173.5	-176.4	0	0	0	0	108.5	I167 S186 Y187 F189 F229 I270 L274	I167-V175 HydrophobicContact CD1-CG2 4.34Å; I167-V175 HydrophobicContact CG1-CG1 4.4Å; I167-V175 HydrophobicContact CG1-CG2 4.21Å; V175-S186 CarbonylContact O-C 3.58Å; V175-S186 WeakPolarHBondContact O-CA 3.44Å; V175-Y187 PolarHBondContact N-O 3.35Å; V175-Y187 PolarHBondContact O-N 2.81Å; V175-F189 HydrophobicContact CB-CE2 4.37Å; V175-F189 HydrophobicContact CG2-CD2 4.1Å; V175-F189 HydrophobicContact CG2-CE2 3.75Å; V175-F229 HydrophobicContact CG1-CD1 3.86Å; V175-F229 HydrophobicContact CG1-CE1 4.28Å; V175-F229 HydrophobicContact CG1-CG 4.33Å; V175-I270 HydrophobicContact CG2-CG2 3.65Å; V175-L274 HydrophobicContact CG1-CD2 4.2Å
176	H	96.7	Very high	91.3	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.079	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.5	-174.4	-66.6	-94.9	0	0	0	111.8	L166 T168 L178	L166-H176 HydrophobicContact CB-CB 4.33Å; L166-H176 PolarHBondContact O-N 2.89Å; L166-H176 VanDerWaalsContact O-N 3.1Å; T168-H176 PolarHBondContact OG1-NE2 3.5Å; H176-L178 HydrophobicContact CB-CD2 4.26Å
177	E	94.4	Very high	91.2	Very high	24 Å²	24	49.1 Å²	49.1	11%	0.112	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	106.9	173.2	-172.6	174.7	177	0	0	109.4	K185 R228 F229	E177-K185 HydrophobicContact CB-CB 4.19Å; E177-K185 PolarHBondContact N-O 3.48Å; E177-R228 HydrophobicContact CG-CB 4.1Å; E177-F229 HydrophobicContact CB-CD1 4.29Å; E177-F229 HydrophobicContact CB-CE1 4.18Å; E177-F229 HydrophobicContact CG-CE1 4.48Å
178	L	87.1	Confident	91.2	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.073	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.1	-168.9	-60.2	-179.8	0	0	0	114.2	H176 C180 R228 Q231 L240 L243	H176-L178 HydrophobicContact CB-CD2 4.26Å; L178-C180 VanDerWaalsContact C-N 3.33Å; L178-C180 PolarHBondContact O-N 3.28Å; L178-R228 PolarHBondContact N-O 2.83Å; L178-Q231 HydrophobicContact CB-CB 4.48Å; L178-Q231 HydrophobicContact CB-CG 4.25Å; L178-L240 HydrophobicContact CD1-CD1 4.21Å; L178-L240 HydrophobicContact CD1-CD2 4.41Å; L178-L240 HydrophobicContact CD2-CD1 3.9Å; L178-L243 HydrophobicContact CD2-CD1 4.08Å
179	G	73.1	Confident	91.1	Very high	39 Å²	39	54 Å²	54	40%	0.402	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	8.5	-175.2	0	0	0	0	0	115.8
180	C	77.8	Confident	91.1	Very high	23 Å²	23	62 Å²	62	16%	0.155	34%	0.338	C	S	.	.			trans	-94.3	127.1	-176.8	-68.7	0	0	0	0	111.4	L178 I183	L178-C180 VanDerWaalsContact C-N 3.33Å; L178-C180 PolarHBondContact O-N 3.28Å; C180-I183 HydrophobicContact CB-CG2 4.22Å; C180-I183 WeakPolarHBondContact CB-O 3.21Å
181	E	76.1	Confident	91	Very high	179 Å²	179	61.9 Å²	61.9	84%	0.836	34%	0.337	S	S	*	.	S	Bend	trans	-89.8	136.6	173.6	-67.5	178.7	-169.9	0	0	110.6	I183	E181-I183 PolarHBondContact O-N 2.95Å; E181-I183 VanDerWaalsContact O-N 3.11Å
182	G	76.7	Confident	91	Very high	95 Å²	95	61.2 Å²	61.2	98%	0.979	34%	0.342	S	S	*	.	S	Bend	trans	72.3	-5.3	176.6	0	0	0	0	0	116.2
183	I	81.9	Confident	90.8	Very high	100 Å²	100	64.9 Å²	64.9	51%	0.513	36%	0.357	S	S	.	.			trans	-148.9	130.7	175.3	-171.8	169.7	0	0	0	110.9	C180 E181 K185	C180-I183 HydrophobicContact CB-CG2 4.22Å; C180-I183 WeakPolarHBondContact CB-O 3.21Å; E181-I183 PolarHBondContact O-N 2.95Å; E181-I183 VanDerWaalsContact O-N 3.11Å; I183-K185 HydrophobicContact CG1-CG 4.5Å
184	S	82.4	Confident	90.6	Very high	95 Å²	95	68.3 Å²	68.3	66%	0.664	38%	0.375	S	S	*	.			trans	-90	116.1	170.4	52	0	0	0	0	109.8
185	K	91.1	Very high	90.4	Very high	101 Å²	101	66 Å²	66	44%	0.439	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.4	176.1	-67	179.5	-173.1	168.9	0	110	E177 I183	E177-K185 HydrophobicContact CB-CB 4.19Å; E177-K185 PolarHBondContact N-O 3.48Å; I183-K185 HydrophobicContact CG1-CG 4.5Å
186	S	94.3	Very high	90.3	Very high	52 Å²	52	68.4 Å²	68.4	36%	0.364	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138	174.4	66.1	0	0	0	0	111	V175	V175-S186 CarbonylContact O-C 3.58Å; V175-S186 WeakPolarHBondContact O-CA 3.44Å
187	Y	96.8	Very high	90.2	Very high	77 Å²	77	68.1 Å²	68.1	30%	0.302	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.7	172.9	-72.1	-102.4	0	0	0	109.7	Q174 V175 L204 F229	Q174-Y187 CarbonylContact C-O 3.53Å; Q174-Y187 WeakPolarHBondContact CA-O 3.42Å; V175-Y187 PolarHBondContact N-O 3.35Å; V175-Y187 PolarHBondContact O-N 2.81Å; Y187-L204 HydrophobicContact CD1-CD2 3.63Å; Y187-L204 HydrophobicContact CD2-CD2 4.06Å; Y187-L204 HydrophobicContact CE1-CD2 4.14Å; Y187-L204 HydrophobicContact CG-CD2 3.58Å; Y187-F229 AromaticContact CD2-CE1 3.75Å; Y187-F229 HydrophobicContact CD2-CE1 3.75Å; Y187-F229 HydrophobicContact CD2-CZ 4.1Å; Y187-F229 AromaticContact CE2-CE1 3.78Å; Y187-F229 HydrophobicContact CE2-CE1 3.78Å; Y187-F229 AromaticContact CE2-CZ 3.88Å; Y187-F229 HydrophobicContact CE2-CZ 3.88Å
188	V	98.1	Very high	90.1	Very high	85 Å²	85	73.7 Å²	73.7	52%	0.515	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.9	-174.6	-170.2	0	0	0	0	110.8	M172 V173 Q174	M172-V188 HydrophobicContact CB-CG1 3.78Å; M172-V188 HydrophobicContact CG-CG1 4.24Å; V173-V188 CarbonylContact O-C 3.54Å; V173-V188 WeakPolarHBondContact O-CA 3.35Å; Q174-V188 HydrophobicContact CG-CG1 4.45Å; Q174-V188 HydrophobicContact CG-CG2 4.17Å
189	F	98.3	Very high	90.5	Very high	23 Å²	23	77.1 Å²	77.1	10%	0.101	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.9	177.4	-59	-87.5	0	0	0	110.7	V173 V175 G191 L195 L200 M203 L204 I270	V173-F189 HydrophobicContact CB-CB 4.47Å; V173-F189 PolarHBondContact N-O 3.36Å; V173-F189 PolarHBondContact O-N 3.39Å; V175-F189 HydrophobicContact CB-CE2 4.37Å; V175-F189 HydrophobicContact CG2-CD2 4.1Å; V175-F189 HydrophobicContact CG2-CE2 3.75Å; F189-G191 PolarHBondContact O-N 2.95Å; F189-L195 HydrophobicContact CB-CD1 4.36Å; F189-L195 HydrophobicContact CD1-CD1 3.42Å; F189-L195 VanDerWaalsContact CD1-CD1 3.42Å; F189-L195 HydrophobicContact CE1-CD1 3.91Å; F189-L195 HydrophobicContact CG-CD1 4.05Å; F189-L200 HydrophobicContact CE1-CD1 3.94Å; F189-L200 HydrophobicContact CE2-CD1 4.15Å; F189-L200 HydrophobicContact CZ-CD1 3.61Å; F189-M203 HydrophobicContact CD1-SD 4.38Å; F189-M203 HydrophobicContact CE1-CB 4.3Å; F189-M203 HydrophobicContact CE1-SD 3.85Å; F189-L204 HydrophobicContact CE2-CD2 4.22Å; F189-L204 HydrophobicContact CZ-CD2 3.76Å; F189-L204 HydrophobicContact CZ-CG 4.26Å; F189-I270 HydrophobicContact CB-CD1 3.72Å; F189-I270 HydrophobicContact CD2-CD1 3.99Å; F189-I270 HydrophobicContact CG-CD1 3.86Å
190	R	97.8	Very high	91.4	Very high	170 Å²	170	75.3 Å²	75.3	64%	0.642	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	126.3	175.7	-67.3	-175.5	-179.3	-173.5	1.7	109.9	T192	R190-T192 PolarHBondContact O-N 3.24Å
191	G	97.2	Very high	92.1	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	7.2	175.4	0	0	0	0	0	115.7	F189 S263 V266	F189-G191 PolarHBondContact O-N 2.95Å; G191-S263 VanDerWaalsContact CA-CB 3.42Å; G191-S263 WeakPolarHBondContact CA-OG 3.09Å; G191-S263 WeakPolarHBondContact O-CB 3.3Å; G191-S263 PolarHBondContact O-OG 3.12Å; G191-V266 WeakPolarHBondContact O-CG2 3.37Å
192	T	96.9	Very high	93	Very high	66 Å²	66	74.1 Å²	74.1	41%	0.405	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-9.1	-177	53.6	0	0	0	0	114.3	R190 Q296	R190-T192 PolarHBondContact O-N 3.24Å; T192-Q296 VanDerWaalsContact CG2-CD 3.44Å; T192-Q296 HydrophobicContact CG2-CG 3.69Å
193	K	94.5	Very high	93.7	Very high	132 Å²	132	74.5 Å²	74.5	57%	0.574	37%	0.373	S	S	*	.	S	Bend	trans	-129.1	136.4	-176.1	-64.5	-173.1	177.5	-172.8	0	110.3	V266	K193-V266 WeakPolarHBondContact O-CG1 3.44Å
194	D	94.9	Very high	94.2	Very high	71 Å²	71	69.9 Å²	69.9	38%	0.38	35%	0.349	S	S	.	.			trans	-75.3	155.4	172.5	-153.6	0.8	0	0	0	111.2	S269 P298 H330	D194-S269 WeakPolarHBondContact OD1-CB 3.47Å; D194-S269 PolarHBondContact OD1-OG 3.2Å; D194-P298 HydrophobicContact CB-CG 3.95Å; D194-H330 IonicContact OD2-CE1 3.54Å; D194-H330 PolarHBondContact OD2-CE1 2.92Å; D194-H330 IonicContact OD2-ND1 3.79Å
195	L	94.6	Very high	94.5	Very high	22 Å²	22	68.1 Å²	68.1	12%	0.115	35%	0.346	C	S	.	.			trans	-132.6	128.3	178	-66.2	174.2	0	0	0	110.5	F189 L200 M203 S269 I270	F189-L195 HydrophobicContact CB-CD1 4.36Å; F189-L195 HydrophobicContact CD1-CD1 3.42Å; F189-L195 VanDerWaalsContact CD1-CD1 3.42Å; F189-L195 HydrophobicContact CE1-CD1 3.91Å; F189-L195 HydrophobicContact CG-CD1 4.05Å; L195-L200 HydrophobicContact CD1-CD1 4.39Å; L195-M203 HydrophobicContact CD1-SD 4.45Å; L195-M203 HydrophobicContact CD2-CE 4.01Å; L195-M203 HydrophobicContact CD2-SD 4.22Å; L195-S269 PolarHBondContact O-OG 3.1Å; L195-I270 HydrophobicContact CD1-CD1 4.03Å; L195-I270 HydrophobicContact CD1-CG1 4.13Å
196	S	95.6	Very high	94.2	Very high	51 Å²	51	64 Å²	64	36%	0.357	33%	0.328	S	S	.	.			trans	-74.5	158.5	170.6	66	0	0	0	0	111.6	K198 Q199 L200	S196-K198 PolarHBondContact O-N 2.86Å; S196-Q199 PolarHBondContact O-N 3.32Å; S196-Q199 WeakPolarHBondContact OG-CG 3.11Å; S196-Q199 PolarHBondContact OG-N 3.48Å; S196-Q199 PolarHBondContact OG-OE1 3.23Å; S196-L200 PolarHBondContact O-N 3.25Å
197	A	93.8	Very high	93.1	Very high	12 Å²	12	66 Å²	66	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-55.6	-38	177.3	0	0	0	0	0	112.7	L200 Q201 E276	A197-L200 PolarHBondContact O-N 3.19Å; A197-Q201 VanDerWaalsContact O-CB 3.3Å; A197-Q201 WeakPolarHBondContact O-CB 3.31Å; A197-Q201 PolarHBondContact O-N 3.43Å; A197-E276 HydrophobicContact CB-CB 4.28Å; A197-E276 HydrophobicContact CB-CG 4.21Å
198	K	93.6	Very high	91.3	Very high	141 Å²	141	69.5 Å²	69.5	61%	0.613	36%	0.359	S	S	*	.	H	α-helix	trans	-66.7	-45.9	177.8	-174.3	-179.8	176.7	-173.9	0	112.4	S196 L200 Q201 E202	S196-K198 PolarHBondContact O-N 2.86Å; K198-L200 VanDerWaalsContact C-N 3.31Å; K198-L200 PolarHBondContact O-N 2.94Å; K198-Q201 WeakPolarHBondContact O-CB 3.45Å; K198-Q201 PolarHBondContact O-N 2.71Å; K198-E202 WeakPolarHBondContact CE-OE1 3.14Å; K198-E202 WeakPolarHBondContact O-CG 3.25Å; K198-E202 PolarHBondContact O-N 3.29Å
199	Q	94.1	Very high	89.2	Confident	86 Å²	86	67.9 Å²	67.9	40%	0.402	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-42.7	177.1	-72.4	165.6	-49.4	0	0	111.1	S196 Q201 E202 M203	S196-Q199 PolarHBondContact O-N 3.32Å; S196-Q199 WeakPolarHBondContact OG-CG 3.11Å; S196-Q199 PolarHBondContact OG-N 3.48Å; S196-Q199 PolarHBondContact OG-OE1 3.23Å; Q199-Q201 VanDerWaalsContact C-N 3.33Å; Q199-E202 PolarHBondContact O-N 2.86Å; Q199-M203 HydrophobicContact CB-CE 4.47Å; Q199-M203 WeakPolarHBondContact O-CB 3.39Å; Q199-M203 VanDerWaalsContact O-CG 3.26Å; Q199-M203 WeakPolarHBondContact O-CG 3.39Å; Q199-M203 PolarHBondContact O-N 3.05Å
200	L	94	Very high	86.5	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-64.2	-40.8	177.2	-170.9	67.7	0	0	0	111.4	F189 L195 S196 A197 K198 E202 M203 L204 I270 L274	F189-L200 HydrophobicContact CE1-CD1 3.94Å; F189-L200 HydrophobicContact CE2-CD1 4.15Å; F189-L200 HydrophobicContact CZ-CD1 3.61Å; L195-L200 HydrophobicContact CD1-CD1 4.39Å; S196-L200 PolarHBondContact O-N 3.25Å; A197-L200 PolarHBondContact O-N 3.19Å; K198-L200 VanDerWaalsContact C-N 3.31Å; K198-L200 PolarHBondContact O-N 2.94Å; L200-E202 PolarHBondContact O-N 3Å; L200-M203 PolarHBondContact O-N 2.77Å; L200-L204 HydrophobicContact CD1-CD1 3.85Å; L200-L204 HydrophobicContact CD1-CG 4.08Å; L200-L204 HydrophobicContact CD2-CD1 4.39Å; L200-L204 HydrophobicContact CG-CD1 3.8Å; L200-L204 HydrophobicContact CG-CG 4.28Å; L200-L204 VanDerWaalsContact O-CB 3.3Å; L200-L204 WeakPolarHBondContact O-CB 3.38Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 2.79Å; L200-I270 HydrophobicContact CD1-CG2 4.08Å; L200-I270 HydrophobicContact CD2-CG2 3.96Å; L200-I270 WeakPolarHBondContact CD2-O 3.25Å; L200-L274 HydrophobicContact CD2-CB 4.04Å
201	Q	92	Very high	84.1	Confident	49 Å²	49	69.7 Å²	69.7	23%	0.229	38%	0.383	C	S	.	.	H	α-helix	trans	-58.3	-47.1	175.5	-174	-165.8	-35.9	0	0	111.5	A197 K198 Q199 G205 L206 C277	A197-Q201 VanDerWaalsContact O-CB 3.3Å; A197-Q201 WeakPolarHBondContact O-CB 3.31Å; A197-Q201 PolarHBondContact O-N 3.43Å; K198-Q201 WeakPolarHBondContact O-CB 3.45Å; K198-Q201 PolarHBondContact O-N 2.71Å; Q199-Q201 VanDerWaalsContact C-N 3.33Å; Q201-G205 PolarHBondContact O-N 3.11Å; Q201-G205 VanDerWaalsContact O-N 3.09Å; Q201-L206 HydrophobicContact CG-CB 3.76Å; Q201-L206 WeakPolarHBondContact CG-O 3.24Å; Q201-L206 PolarHBondContact NE2-O 2.97Å; Q201-L206 PolarHBondContact O-N 3.06Å; Q201-C277 HydrophobicContact CB-CB 4.16Å; Q201-C277 HydrophobicContact CG-CB 4.33Å
202	E	93.8	Very high	81.3	Confident	127 Å²	127	74.5 Å²	74.5	59%	0.593	41%	0.412	S	S	*	.	H	α-helix	trans	-64.8	-46.4	178.3	-70.8	169.7	-171.2	0	0	111.7	K198 Q199 L200 L204 G205	K198-E202 WeakPolarHBondContact CE-OE1 3.14Å; K198-E202 WeakPolarHBondContact O-CG 3.25Å; K198-E202 PolarHBondContact O-N 3.29Å; Q199-E202 PolarHBondContact O-N 2.86Å; L200-E202 PolarHBondContact O-N 3Å; E202-L204 PolarHBondContact O-N 3.18Å; E202-G205 PolarHBondContact O-N 2.97Å
203	M	93.1	Very high	78.3	Confident	104 Å²	104	80.1 Å²	80.1	51%	0.512	43%	0.434	S	S	.	.	H	α-helix	trans	-64.9	-37	-179.8	-70.9	176.4	-171.1	0	0	113	F189 L195 Q199 L200 G205	F189-M203 HydrophobicContact CD1-SD 4.38Å; F189-M203 HydrophobicContact CE1-CB 4.3Å; F189-M203 HydrophobicContact CE1-SD 3.85Å; L195-M203 HydrophobicContact CD1-SD 4.45Å; L195-M203 HydrophobicContact CD2-CE 4.01Å; L195-M203 HydrophobicContact CD2-SD 4.22Å; Q199-M203 HydrophobicContact CB-CE 4.47Å; Q199-M203 WeakPolarHBondContact O-CB 3.39Å; Q199-M203 VanDerWaalsContact O-CG 3.26Å; Q199-M203 WeakPolarHBondContact O-CG 3.39Å; Q199-M203 PolarHBondContact O-N 3.05Å; L200-M203 PolarHBondContact O-N 2.77Å; M203-G205 VanDerWaalsContact C-N 3.31Å
204	L	91.7	Very high	75.6	Confident	3 Å²	3	78.6 Å²	78.6	2%	0.016	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	0.4	178	-64.6	-177.5	0	0	0	112.8	Y187 F189 L200 E202 L206 R228 F229 L274	Y187-L204 HydrophobicContact CD1-CD2 3.63Å; Y187-L204 HydrophobicContact CD2-CD2 4.06Å; Y187-L204 HydrophobicContact CE1-CD2 4.14Å; Y187-L204 HydrophobicContact CG-CD2 3.58Å; F189-L204 HydrophobicContact CE2-CD2 4.22Å; F189-L204 HydrophobicContact CZ-CD2 3.76Å; F189-L204 HydrophobicContact CZ-CG 4.26Å; L200-L204 HydrophobicContact CD1-CD1 3.85Å; L200-L204 HydrophobicContact CD1-CG 4.08Å; L200-L204 HydrophobicContact CD2-CD1 4.39Å; L200-L204 HydrophobicContact CG-CD1 3.8Å; L200-L204 HydrophobicContact CG-CG 4.28Å; L200-L204 VanDerWaalsContact O-CB 3.3Å; L200-L204 WeakPolarHBondContact O-CB 3.38Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 2.79Å; E202-L204 PolarHBondContact O-N 3.18Å; L204-L206 HydrophobicContact CB-CD1 3.83Å; L204-L206 HydrophobicContact CB-CG 3.78Å; L204-L206 HydrophobicContact CD1-CD1 3.95Å; L204-L206 PolarHBondContact O-N 2.71Å; L204-R228 PolarHBondContact O-NH2 2.81Å; L204-F229 HydrophobicContact CB-CE2 3.89Å; L204-F229 HydrophobicContact CB-CZ 4.06Å; L204-F229 HydrophobicContact CD1-CD2 4.36Å; L204-F229 HydrophobicContact CD1-CE2 3.87Å; L204-F229 HydrophobicContact CD1-CZ 4.13Å; L204-F229 HydrophobicContact CD2-CE1 4.38Å; L204-F229 HydrophobicContact CD2-CE2 4.32Å; L204-F229 HydrophobicContact CD2-CZ 3.79Å; L204-F229 HydrophobicContact CG-CE2 4.25Å; L204-F229 HydrophobicContact CG-CZ 4.22Å; L204-L274 HydrophobicContact CD1-CD1 3.9Å
205	G	89.1	Confident	72.6	Confident	58 Å²	58	81.6 Å²	81.6	60%	0.598	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	36	-178.4	0	0	0	0	0	113.1	Q201 E202 M203	Q201-G205 PolarHBondContact O-N 3.11Å; Q201-G205 VanDerWaalsContact O-N 3.09Å; E202-G205 PolarHBondContact O-N 2.97Å; M203-G205 VanDerWaalsContact C-N 3.31Å
206	L	84.3	Confident	69.8	Low	13 Å²	13	93.1 Å²	93.1	7%	0.068	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-84.9	131.1	-178.6	-68.9	172.6	0	0	0	110	Q201 L204 N227 F229 L274 T278	Q201-L206 HydrophobicContact CG-CB 3.76Å; Q201-L206 WeakPolarHBondContact CG-O 3.24Å; Q201-L206 PolarHBondContact NE2-O 2.97Å; Q201-L206 PolarHBondContact O-N 3.06Å; L204-L206 HydrophobicContact CB-CD1 3.83Å; L204-L206 HydrophobicContact CB-CG 3.78Å; L204-L206 HydrophobicContact CD1-CD1 3.95Å; L204-L206 PolarHBondContact O-N 2.71Å; L206-N227 WeakPolarHBondContact CD2-ND2 3.38Å; L206-F229 HydrophobicContact CD1-CD2 4.44Å; L206-F229 HydrophobicContact CD1-CE2 4.26Å; L206-F229 HydrophobicContact CD2-CD2 4.06Å; L206-F229 HydrophobicContact CD2-CE2 3.81Å; L206-F229 HydrophobicContact CG-CE2 4.18Å; L206-L274 HydrophobicContact CD1-CD1 3.9Å; L206-T278 HydrophobicContact CD1-CG2 3.98Å; L206-T278 HydrophobicContact CD2-CG2 4.32Å
207	S	71.6	Confident	66.9	Low	96 Å²	96	93.2 Å²	93.2	67%	0.671	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-96.9	145.9	162.9	-168.6	0	0	0	0	108.5	V209	S207-V209 PolarHBondContact O-N 3.29Å; S207-V209 VanDerWaalsContact O-N 3.08Å
208	K	57.9	Low	64.3	Low	150 Å²	150	98.8 Å²	98.8	65%	0.652	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-57.7	120.1	169.1	-80.4	-173.5	175.9	-177.8	0	107.1	P210	K208-P210 WeakPolarHBondContact O-CD 3.5Å; K208-P210 VanDerWaalsContact O-N 3.08Å
209	V	54.3	Low	61.7	Low	50 Å²	50	101.7 Å²	101.7	30%	0.303	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-59.3	116.7	168.5	-177.6	0	0	0	0	105.6	S207 V211 P225	S207-V209 PolarHBondContact O-N 3.29Å; S207-V209 VanDerWaalsContact O-N 3.08Å; V209-V211 PolarHBondContact O-N 2.85Å; V209-P225 HydrophobicContact CG1-CB 3.94Å
210	P	42.5	Very low	59	Low	101 Å²	101	103.4 Å²	103.4	66%	0.656	59%	0.585	S	S	*	*			trans	-65.7	107.5	177.6	19.6	-20.5	0	0	0	107.2	K208 T212	K208-P210 WeakPolarHBondContact O-CD 3.5Å; K208-P210 VanDerWaalsContact O-N 3.08Å; P210-T212 HydrophobicContact CB-CG2 4.44Å; P210-T212 PolarHBondContact O-N 3.07Å
211	V	46.8	Very low	56.3	Low	130 Å²	130	112.8 Å²	112.8	79%	0.788	63%	0.629	S	S	*	*			trans	-68.9	86.7	162.5	-174	0	0	0	0	104.7	V209 Q213	V209-V211 PolarHBondContact O-N 2.85Å; V211-Q213 PolarHBondContact O-N 2.71Å
212	T	37.6	Very low	54	Low	101 Å²	101	117.8 Å²	117.8	62%	0.62	65%	0.653	S	S	*	*			trans	-59.2	113.1	-178.5	37.6	0	0	0	0	108.5	P210 A214	P210-T212 HydrophobicContact CB-CG2 4.44Å; P210-T212 PolarHBondContact O-N 3.07Å; T212-A214 PolarHBondContact O-N 3.28Å; T212-A214 VanDerWaalsContact O-N 3.13Å
213	Q	34.8	Very low	51.9	Low	185 Å²	185	117.2 Å²	117.2	86%	0.864	66%	0.66	S	S	*	*			trans	-55.5	118.3	159.6	-86.9	179.4	-19.4	0	0	106.7	V211 T215	V211-Q213 PolarHBondContact O-N 2.71Å; Q213-T215 PolarHBondContact O-N 3.43Å
214	A	38.3	Very low	50	Low	100 Å²	100	116.5 Å²	116.5	83%	0.826	66%	0.663	S	S	*	*			trans	-53.1	105.3	-176.2	0	0	0	0	0	111.3	T212	T212-A214 PolarHBondContact O-N 3.28Å; T212-A214 VanDerWaalsContact O-N 3.13Å
215	T	30.4	Very low	48.6	Very low	134 Å²	134	118.8 Å²	118.8	82%	0.822	68%	0.678	S	S	*	*			trans	-70.8	133.7	155.8	36.3	0	0	0	0	107.9	Q213 G217	Q213-T215 PolarHBondContact O-N 3.43Å; T215-G217 PolarHBondContact O-N 2.96Å
216	R	36	Very low	47.4	Very low	263 Å²	263	118.9 Å²	118.9	99%	0.992	67%	0.669	S	S	*	*	S	Bend	trans	-61.3	97.1	178.1	-72.5	176.5	172	174.9	-3.4	109.8
217	G	36.3	Very low	47.2	Very low	53 Å²	53	119 Å²	119	55%	0.546	67%	0.67	S	S	.	*			trans	-148.8	159.4	172	0	0	0	0	0	110.4	T215 Q219	T215-G217 PolarHBondContact O-N 2.96Å; G217-Q219 PolarHBondContact O-N 3.04Å
218	P	38.9	Very low	48	Very low	130 Å²	130	119.4 Å²	119.4	84%	0.844	66%	0.657	S	S	*	*			trans	-60.8	133.3	-175.2	10.6	-11.1	0	0	0	111.5	V220	P218-V220 PolarHBondContact O-N 2.84Å
219	Q	39.3	Very low	49.7	Very low	201 Å²	201	112.4 Å²	112.4	94%	0.939	63%	0.626	S	S	*	*			trans	-61.3	98	-178.2	-82.6	177.2	-47.4	0	0	111.4	G217	G217-Q219 PolarHBondContact O-N 3.04Å
220	V	36.9	Very low	51.6	Low	123 Å²	123	110 Å²	110	75%	0.745	61%	0.612	S	S	*	*			trans	-84.3	122.6	153.8	-175	0	0	0	0	106.4	P218 Q222	P218-V220 PolarHBondContact O-N 2.84Å; V220-Q222 VanDerWaalsContact C-N 3.34Å; V220-Q222 PolarHBondContact O-N 2.82Å
221	Q	37.6	Very low	54.1	Low	197 Å²	197	105.6 Å²	105.6	92%	0.921	58%	0.583	S	S	*	*			trans	-58.4	96.1	170.3	-97.1	173.3	-12.7	0	0	108.5
222	Q	43.5	Very low	56.4	Low	155 Å²	155	100.3 Å²	100.3	72%	0.724	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-70.1	140	168.3	-76.5	-174	-11.9	0	0	108.8	V220	V220-Q222 VanDerWaalsContact C-N 3.34Å; V220-Q222 PolarHBondContact O-N 2.82Å
223	P	48.3	Very low	59.2	Low	114 Å²	114	96 Å²	96	74%	0.74	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-57	141.3	173.3	8.5	-10.1	0	0	0	109.7
224	P	53.4	Low	62	Low	90 Å²	90	93.1 Å²	93.1	58%	0.584	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-56	140.6	-178.8	20.9	-31.2	0	0	0	110.5	S226	P224-S226 PolarHBondContact O-N 3.29Å
225	P	62.8	Low	64.6	Low	50 Å²	50	94.6 Å²	94.6	33%	0.325	50%	0.499	S	S	.	.			trans	-64.8	108.9	-178.4	25.5	-32.6	0	0	0	109.8	M127 V209 F279	M127-P225 HydrophobicContact CE-CG 4.41Å; V209-P225 HydrophobicContact CG1-CB 3.94Å; P225-F279 HydrophobicContact CB-CE1 4.38Å; P225-F279 HydrophobicContact CG-CE1 4.28Å; P225-F279 WeakPolarHBondContact O-CE1 3.4Å; P225-F279 VanDerWaalsContact O-CZ 3.3Å; P225-F279 WeakPolarHBondContact O-CZ 3.48Å
226	S	63.2	Low	67.5	Low	61 Å²	61	88.5 Å²	88.5	43%	0.427	46%	0.461	S	S	.	.			trans	-107.9	138.8	172	71.6	0	0	0	0	110.4	P224	P224-S226 PolarHBondContact O-N 3.29Å
227	N	80.1	Confident	70.1	Confident	16 Å²	16	79.4 Å²	79.4	9%	0.086	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-102.1	154.8	175.1	-173.3	-78	0	0	0	110.2	L206 F229 L230 Q231 F279	L206-N227 WeakPolarHBondContact CD2-ND2 3.38Å; N227-F229 PolarHBondContact O-N 3.16Å; N227-F229 VanDerWaalsContact O-N 3.11Å; N227-F229 WeakPolarHBondContact OD1-CD2 3.26Å; N227-F229 PolarHBondContact OD1-N 2.82Å; N227-L230 HydrophobicContact CB-CB 4.29Å; N227-L230 PolarHBondContact N-O 2.88Å; N227-L230 CarbonylContact O-C 3.52Å; N227-L230 VanDerWaalsContact O-C 3.23Å; N227-L230 PolarHBondContact O-N 2.9Å; N227-Q231 PolarHBondContact O-NE2 3.25Å; N227-F279 HydrophobicContact CB-CE2 4.07Å
228	R	88.8	Confident	72.7	Confident	104 Å²	104	83.1 Å²	83.1	39%	0.392	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.4	178.4	-59.4	-175.3	-65.2	178.7	-2.3	114	E177 L178 L204	E177-R228 HydrophobicContact CG-CB 4.1Å; L178-R228 PolarHBondContact N-O 2.83Å; L204-R228 PolarHBondContact O-NH2 2.81Å
229	F	93.7	Very high	75.2	Confident	2 Å²	2	81 Å²	81	1%	0.009	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-12.4	178.4	-52.4	-67.4	0	0	0	113.9	G165 V175 E177 Y187 L204 L206 N227 L274	G165-F229 WeakPolarHBondContact CA-O 3.43Å; V175-F229 HydrophobicContact CG1-CD1 3.86Å; V175-F229 HydrophobicContact CG1-CE1 4.28Å; V175-F229 HydrophobicContact CG1-CG 4.33Å; E177-F229 HydrophobicContact CB-CD1 4.29Å; E177-F229 HydrophobicContact CB-CE1 4.18Å; E177-F229 HydrophobicContact CG-CE1 4.48Å; Y187-F229 AromaticContact CD2-CE1 3.75Å; Y187-F229 HydrophobicContact CD2-CE1 3.75Å; Y187-F229 HydrophobicContact CD2-CZ 4.1Å; Y187-F229 AromaticContact CE2-CE1 3.78Å; Y187-F229 HydrophobicContact CE2-CE1 3.78Å; Y187-F229 AromaticContact CE2-CZ 3.88Å; Y187-F229 HydrophobicContact CE2-CZ 3.88Å; L204-F229 HydrophobicContact CB-CE2 3.89Å; L204-F229 HydrophobicContact CB-CZ 4.06Å; L204-F229 HydrophobicContact CD1-CD2 4.36Å; L204-F229 HydrophobicContact CD1-CE2 3.87Å; L204-F229 HydrophobicContact CD1-CZ 4.13Å; L204-F229 HydrophobicContact CD2-CE1 4.38Å; L204-F229 HydrophobicContact CD2-CE2 4.32Å; L204-F229 HydrophobicContact CD2-CZ 3.79Å; L204-F229 HydrophobicContact CG-CE2 4.25Å; L204-F229 HydrophobicContact CG-CZ 4.22Å; L206-F229 HydrophobicContact CD1-CD2 4.44Å; L206-F229 HydrophobicContact CD1-CE2 4.26Å; L206-F229 HydrophobicContact CD2-CD2 4.06Å; L206-F229 HydrophobicContact CD2-CE2 3.81Å; L206-F229 HydrophobicContact CG-CE2 4.18Å; N227-F229 PolarHBondContact O-N 3.16Å; N227-F229 VanDerWaalsContact O-N 3.11Å; N227-F229 WeakPolarHBondContact OD1-CD2 3.26Å; N227-F229 PolarHBondContact OD1-N 2.82Å; F229-L274 HydrophobicContact CB-CD1 4.44Å; F229-L274 HydrophobicContact CB-CD2 4.28Å; F229-L274 HydrophobicContact CD2-CD1 3.97Å; F229-L274 HydrophobicContact CG-CD1 4.4Å
230	L	94.8	Very high	77.7	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-133.5	97.2	-174.7	-63.6	168.2	0	0	0	109.3	I130 L132 L163 V164 N227 L275 F279	I130-L230 HydrophobicContact CG2-CD1 4.39Å; I130-L230 HydrophobicContact CG2-CD2 4.1Å; L132-L230 HydrophobicContact CD1-CD2 4.49Å; L163-L230 HydrophobicContact CB-CB 4.33Å; V164-L230 WeakPolarHBondContact O-CA 3.46Å; N227-L230 HydrophobicContact CB-CB 4.29Å; N227-L230 PolarHBondContact N-O 2.88Å; N227-L230 CarbonylContact O-C 3.52Å; N227-L230 VanDerWaalsContact O-C 3.23Å; N227-L230 PolarHBondContact O-N 2.9Å; L230-L275 HydrophobicContact CD1-CD2 3.66Å; L230-L275 HydrophobicContact CD2-CD2 4.28Å; L230-F279 HydrophobicContact CB-CE2 4.16Å; L230-F279 HydrophobicContact CD1-CD2 3.49Å; L230-F279 VanDerWaalsContact CD1-CD2 3.49Å; L230-F279 HydrophobicContact CD1-CE2 3.53Å; L230-F279 HydrophobicContact CG-CE2 4.5Å
231	Q	94.8	Very high	80.5	Confident	9 Å²	9	68 Å²	68	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	150.2	-173.7	-72.9	-65.8	-61.6	0	0	111.2	L163 V164 L178 N227 I236	L163-Q231 CarbonylContact C-O 3.47Å; L163-Q231 WeakPolarHBondContact CA-O 3.23Å; V164-Q231 PolarHBondContact N-O 3.16Å; V164-Q231 PolarHBondContact O-N 3.26Å; V164-Q231 VanDerWaalsContact O-N 3.12Å; L178-Q231 HydrophobicContact CB-CB 4.48Å; L178-Q231 HydrophobicContact CB-CG 4.25Å; N227-Q231 PolarHBondContact O-NE2 3.25Å; Q231-I236 HydrophobicContact CB-CB 4.49Å; Q231-I236 HydrophobicContact CB-CG1 3.56Å; Q231-I236 HydrophobicContact CB-CG2 4.02Å; Q231-I236 HydrophobicContact CG-CG2 4.34Å
232	P	95.4	Very high	83.2	Confident	19 Å²	19	63 Å²	63	12%	0.123	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	136.9	175.3	-22.4	33.4	0	0	0	112.4	A162 L163 Q234 K235 I236	A162-P232 CarbonylContact O-C 3.55Å; A162-P232 VanDerWaalsContact O-CA 3.27Å; A162-P232 WeakPolarHBondContact O-CA 3.31Å; L163-P232 HydrophobicContact CD2-CB 4.41Å; L163-P232 HydrophobicContact CD2-CG 3.85Å; P232-Q234 HydrophobicContact CB-CG 4.49Å; P232-Q234 PolarHBondContact O-N 2.94Å; P232-K235 HydrophobicContact CB-CB 4.44Å; P232-K235 WeakPolarHBondContact O-CB 3.39Å; P232-K235 PolarHBondContact O-N 2.87Å; P232-I236 WeakPolarHBondContact O-CG1 3.48Å; P232-I236 PolarHBondContact O-N 2.98Å
233	V	95.3	Very high	85.6	Confident	10 Å²	10	56.9 Å²	56.9	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-50.1	-53.8	-180	172.8	0	0	0	0	111.3	L155 L158 A162 V164 K235 I236 D237	L155-V233 HydrophobicContact CD1-CG1 3.99Å; L155-V233 HydrophobicContact CD1-CG2 4Å; L158-V233 HydrophobicContact CB-CG2 4.03Å; L158-V233 HydrophobicContact CD1-CG2 3.96Å; A162-V233 HydrophobicContact CB-CG2 4.23Å; A162-V233 WeakPolarHBondContact O-CG2 3.42Å; A162-V233 PolarHBondContact O-N 2.69Å; V164-V233 HydrophobicContact CB-CG2 4.46Å; V164-V233 HydrophobicContact CG1-CG2 3.52Å; V164-V233 HydrophobicContact CG2-CG2 4.09Å; V233-K235 PolarHBondContact O-N 2.79Å; V233-I236 PolarHBondContact O-N 3.12Å; V233-I236 VanDerWaalsContact O-N 3.07Å; V233-D237 HydrophobicContact CG1-CB 4.29Å; V233-D237 WeakPolarHBondContact O-CA 3.33Å; V233-D237 VanDerWaalsContact O-CB 3.29Å; V233-D237 WeakPolarHBondContact O-CB 3.36Å; V233-D237 PolarHBondContact O-N 2.86Å
234	Q	94.2	Very high	87.8	Confident	125 Å²	125	51.6 Å²	51.6	58%	0.584	27%	0.27	S	S	*	.	H	α-helix	trans	-60.2	-12.4	-176.9	69.5	-175.2	-17.5	0	0	115.6	P160 P232	P160-Q234 HydrophobicContact CB-CB 4Å; P160-Q234 HydrophobicContact CB-CG 4.47Å; P160-Q234 WeakPolarHBondContact O-CB 3.26Å; P160-Q234 WeakPolarHBondContact O-CG 3.43Å; P160-Q234 PolarHBondContact O-N 2.81Å; P160-Q234 VanDerWaalsContact O-N 3.09Å; P232-Q234 HydrophobicContact CB-CG 4.49Å; P232-Q234 PolarHBondContact O-N 2.94Å
235	K	92.2	Very high	89.8	Confident	130 Å²	130	48.8 Å²	48.8	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-96.7	-28.5	-179.8	-172.1	-177.6	171.5	-164.8	0	112.3	P232 V233	P232-K235 HydrophobicContact CB-CB 4.44Å; P232-K235 WeakPolarHBondContact O-CB 3.39Å; P232-K235 PolarHBondContact O-N 2.87Å; V233-K235 PolarHBondContact O-N 2.79Å
236	I	91.8	Very high	91.4	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-130.7	15.1	-171.4	55.1	54.7	0	0	0	112.9	V164 Q231 P232 V233 M238 N239 L240	V164-I236 HydrophobicContact CG2-CD1 3.35Å; V164-I236 HydrophobicContact CG2-CG1 4.46Å; Q231-I236 HydrophobicContact CB-CB 4.49Å; Q231-I236 HydrophobicContact CB-CG1 3.56Å; Q231-I236 HydrophobicContact CB-CG2 4.02Å; Q231-I236 HydrophobicContact CG-CG2 4.34Å; P232-I236 WeakPolarHBondContact O-CG1 3.48Å; P232-I236 PolarHBondContact O-N 2.98Å; V233-I236 PolarHBondContact O-N 3.12Å; V233-I236 VanDerWaalsContact O-N 3.07Å; I236-M238 PolarHBondContact O-N 3.43Å; I236-N239 PolarHBondContact O-N 2.91Å; I236-L240 HydrophobicContact CD1-CB 4.18Å; I236-L240 HydrophobicContact CD1-CD2 4.16Å; I236-L240 VanDerWaalsContact O-CB 3.24Å; I236-L240 WeakPolarHBondContact O-CB 3.49Å; I236-L240 PolarHBondContact O-N 3.42Å
237	D	90.7	Very high	92.9	Very high	72 Å²	72	50.9 Å²	50.9	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-58.4	-48.6	-175.6	59	-16.6	0	0	0	111.5	V233 T241	V233-D237 HydrophobicContact CG1-CB 4.29Å; V233-D237 WeakPolarHBondContact O-CA 3.33Å; V233-D237 VanDerWaalsContact O-CB 3.29Å; V233-D237 WeakPolarHBondContact O-CB 3.36Å; V233-D237 PolarHBondContact O-N 2.86Å; D237-T241 VanDerWaalsContact O-CB 3.26Å; D237-T241 WeakPolarHBondContact O-CB 3.41Å; D237-T241 PolarHBondContact O-N 2.8Å; D237-T241 PolarHBondContact O-OG1 2.89Å
238	M	90.8	Very high	93.7	Very high	130 Å²	130	56.6 Å²	56.6	64%	0.64	28%	0.283	S	S	*	.	H	α-helix	trans	-61.2	-55.1	176.8	-65.1	-170.6	69.9	0	0	111	I236 L240 T241 D242	I236-M238 PolarHBondContact O-N 3.43Å; M238-L240 VanDerWaalsContact C-N 3.29Å; M238-L240 PolarHBondContact O-N 2.88Å; M238-T241 WeakPolarHBondContact O-CB 3.24Å; M238-T241 PolarHBondContact O-N 2.82Å; M238-T241 VanDerWaalsContact O-N 3.09Å; M238-D242 PolarHBondContact O-N 2.97Å
239	N	91.4	Very high	94.1	Very high	85 Å²	85	55.9 Å²	55.9	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-56.9	-41.2	-179.6	-63.1	57.6	0	0	0	112.7	I236 L243	I236-N239 PolarHBondContact O-N 2.91Å; N239-L243 VanDerWaalsContact O-CB 3.25Å; N239-L243 WeakPolarHBondContact O-CB 3.29Å; N239-L243 PolarHBondContact O-N 2.96Å
240	L	93.2	Very high	94.4	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-74	-35.7	179.2	-175.2	60.5	0	0	0	111.4	L155 V164 L166 L178 I236 M238 L243 L244	L155-L240 HydrophobicContact CD1-CD2 3.97Å; L155-L240 HydrophobicContact CD2-CB 4.04Å; L155-L240 HydrophobicContact CD2-CD2 3.83Å; L155-L240 HydrophobicContact CD2-CG 3.95Å; V164-L240 HydrophobicContact CB-CD2 4.11Å; V164-L240 HydrophobicContact CG2-CD2 3.56Å; L166-L240 HydrophobicContact CB-CD1 4.25Å; L166-L240 HydrophobicContact CD2-CD1 4.16Å; L178-L240 HydrophobicContact CD1-CD1 4.21Å; L178-L240 HydrophobicContact CD1-CD2 4.41Å; L178-L240 HydrophobicContact CD2-CD1 3.9Å; I236-L240 HydrophobicContact CD1-CB 4.18Å; I236-L240 HydrophobicContact CD1-CD2 4.16Å; I236-L240 VanDerWaalsContact O-CB 3.24Å; I236-L240 WeakPolarHBondContact O-CB 3.49Å; I236-L240 PolarHBondContact O-N 3.42Å; M238-L240 VanDerWaalsContact C-N 3.29Å; M238-L240 PolarHBondContact O-N 2.88Å; L240-L243 PolarHBondContact O-N 2.95Å; L240-L244 HydrophobicContact CD1-CG 4.34Å; L240-L244 HydrophobicContact CG-CD1 4.31Å; L240-L244 HydrophobicContact CG-CG 4.41Å; L240-L244 VanDerWaalsContact O-CB 3.32Å; L240-L244 WeakPolarHBondContact O-CB 3.33Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 2.9Å
241	T	94.8	Very high	94.4	Very high	48 Å²	48	62.4 Å²	62.4	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-45.7	174.6	-62.1	0	0	0	0	110.8	Q152 D237 M238 L244 G245	Q152-T241 HydrophobicContact CG-CG2 4.12Å; Q152-T241 PolarHBondContact NE2-O 2.89Å; D237-T241 VanDerWaalsContact O-CB 3.26Å; D237-T241 WeakPolarHBondContact O-CB 3.41Å; D237-T241 PolarHBondContact O-N 2.8Å; D237-T241 PolarHBondContact O-OG1 2.89Å; M238-T241 WeakPolarHBondContact O-CB 3.24Å; M238-T241 PolarHBondContact O-N 2.82Å; M238-T241 VanDerWaalsContact O-N 3.09Å; T241-L244 PolarHBondContact O-N 2.99Å; T241-G245 PolarHBondContact O-N 2.85Å
242	D	93.4	Very high	94.5	Very high	92 Å²	92	67.5 Å²	67.5	49%	0.492	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-48.7	177.1	-65.9	-19.8	0	0	0	110.6	M238 L244 G245 E246	M238-D242 PolarHBondContact O-N 2.97Å; D242-L244 VanDerWaalsContact C-N 3.32Å; D242-L244 PolarHBondContact O-N 2.96Å; D242-G245 CarbonylContact O-C 3.35Å; D242-G245 WeakPolarHBondContact O-CA 3.5Å; D242-G245 PolarHBondContact O-N 2.86Å; D242-E246 WeakPolarHBondContact O-CG 3.33Å; D242-E246 PolarHBondContact O-N 3.12Å
243	L	94.4	Very high	94.6	Very high	28 Å²	28	72.1 Å²	72.1	15%	0.147	37%	0.371	C	S	.	.	H	α-helix	trans	-57.4	-45.7	177.2	-168	171.6	0	0	0	111.1	L166 L178 N239 L240 G245 E246 L247	L166-L243 HydrophobicContact CD2-CD1 4.36Å; L166-L243 HydrophobicContact CD2-CD2 3.29Å; L166-L243 HydrophobicContact CD2-CG 4.43Å; L178-L243 HydrophobicContact CD2-CD1 4.08Å; N239-L243 VanDerWaalsContact O-CB 3.25Å; N239-L243 WeakPolarHBondContact O-CB 3.29Å; N239-L243 PolarHBondContact O-N 2.96Å; L240-L243 PolarHBondContact O-N 2.95Å; L243-G245 VanDerWaalsContact C-N 3.28Å; L243-G245 PolarHBondContact O-N 2.58Å; L243-E246 PolarHBondContact O-N 2.95Å; L243-L247 HydrophobicContact CD2-CD2 3.98Å; L243-L247 HydrophobicContact CD2-CG 4.44Å; L243-L247 WeakPolarHBondContact O-CG 3.1Å; L243-L247 PolarHBondContact O-N 3.02Å
244	L	95.4	Very high	94.7	Very high	3 Å²	3	75.1 Å²	75.1	2%	0.016	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-39.4	174.4	-72	175.6	0	0	0	111.4	K148 M151 Q152 L166 L240 T241 D242 E246 L247	K148-L244 WeakPolarHBondContact CD-O 3.37Å; K148-L244 WeakPolarHBondContact CE-O 3.47Å; K148-L244 VanDerWaalsContact CG-O 3.23Å; K148-L244 WeakPolarHBondContact CG-O 3.49Å; M151-L244 HydrophobicContact CB-CD1 4.03Å; M151-L244 HydrophobicContact CE-CD2 3.74Å; M151-L244 HydrophobicContact SD-CD2 4.25Å; Q152-L244 HydrophobicContact CG-CB 3.95Å; Q152-L244 HydrophobicContact CG-CD1 4.09Å; L166-L244 HydrophobicContact CD1-CD2 4.14Å; L166-L244 HydrophobicContact CD2-CD2 4.16Å; L240-L244 HydrophobicContact CD1-CG 4.34Å; L240-L244 HydrophobicContact CG-CD1 4.31Å; L240-L244 HydrophobicContact CG-CG 4.41Å; L240-L244 VanDerWaalsContact O-CB 3.32Å; L240-L244 WeakPolarHBondContact O-CB 3.33Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 2.9Å; T241-L244 PolarHBondContact O-N 2.99Å; D242-L244 VanDerWaalsContact C-N 3.32Å; D242-L244 PolarHBondContact O-N 2.96Å; L244-E246 VanDerWaalsContact C-N 3.34Å; L244-L247 HydrophobicContact CD2-CD1 4Å; L244-L247 PolarHBondContact O-N 3.03Å
245	G	94.6	Very high	94.9	Very high	31 Å²	31	73.3 Å²	73.3	32%	0.32	39%	0.388	S	S	.	.	H	α-helix	trans	-68.5	-29.3	176.4	0	0	0	0	0	113.9	K148 T241 D242 L243	K148-G245 VanDerWaalsContact CE-C 3.49Å; K148-G245 WeakPolarHBondContact CE-O 3.41Å; K148-G245 PolarHBondContact NZ-O 3.28Å; T241-G245 PolarHBondContact O-N 2.85Å; D242-G245 CarbonylContact O-C 3.35Å; D242-G245 WeakPolarHBondContact O-CA 3.5Å; D242-G245 PolarHBondContact O-N 2.86Å; L243-G245 VanDerWaalsContact C-N 3.28Å; L243-G245 PolarHBondContact O-N 2.58Å
246	E	95.6	Very high	95.2	Very high	136 Å²	136	76.4 Å²	76.4	64%	0.636	40%	0.404	S	S	*	.	H	α-helix	trans	-83.3	-12.2	178.8	-71.6	175.4	-174.3	0	0	113.5	D242 L243 L244 Q248	D242-E246 WeakPolarHBondContact O-CG 3.33Å; D242-E246 PolarHBondContact O-N 3.12Å; L243-E246 PolarHBondContact O-N 2.95Å; L244-E246 VanDerWaalsContact C-N 3.34Å; E246-Q248 WeakPolarHBondContact O-CG 3.47Å; E246-Q248 PolarHBondContact O-N 3.24Å; E246-Q248 PolarHBondContact O-NE2 3.1Å
247	L	96.2	Very high	95.4	Very high	19 Å²	19	78 Å²	78	10%	0.099	42%	0.422	C	S	.	.			trans	-54.6	130.7	178.7	-69.8	-178	0	0	0	111.7	K148 M151 T168 L243 L244	K148-L247 HydrophobicContact CD-CB 4.05Å; K148-L247 HydrophobicContact CG-CB 4.33Å; K148-L247 PolarHBondContact NZ-O 3.46Å; M151-L247 HydrophobicContact CE-CD1 4.36Å; T168-L247 HydrophobicContact CG2-CD1 4.16Å; T168-L247 HydrophobicContact CG2-CD2 3.76Å; L243-L247 HydrophobicContact CD2-CD2 3.98Å; L243-L247 HydrophobicContact CD2-CG 4.44Å; L243-L247 WeakPolarHBondContact O-CG 3.1Å; L243-L247 PolarHBondContact O-N 3.02Å; L244-L247 HydrophobicContact CD2-CD1 4Å; L244-L247 PolarHBondContact O-N 3.03Å
248	Q	96.4	Very high	95.8	Very high	136 Å²	136	76.7 Å²	76.7	64%	0.636	41%	0.413	S	S	*	.			trans	-115.6	168.1	177.9	-57.2	-71.3	-45.6	0	0	109.7	L144 E246	L144-Q248 VanDerWaalsContact CD2-C 3.48Å; E246-Q248 WeakPolarHBondContact O-CG 3.47Å; E246-Q248 PolarHBondContact O-N 3.24Å; E246-Q248 PolarHBondContact O-NE2 3.1Å
249	R	98.1	Very high	96.2	Very high	89 Å²	89	71.9 Å²	71.9	34%	0.336	39%	0.388	S	S	.	.			trans	-58.2	157.4	170.4	-69.6	172	66.1	156.9	14.5	112	T137 M139 E140 D141 L144	T137-R249 CarbonylContact O-C 3.54Å; T137-R249 WeakPolarHBondContact O-CA 3.28Å; M139-R249 WeakPolarHBondContact O-CD 3.43Å; M139-R249 WeakPolarHBondContact O-CG 3.49Å; M139-R249 PolarHBondContact O-NE 3.23Å; M139-R249 VanDerWaalsContact O-NE 3.15Å; E140-R249 VanDerWaalsContact CD-NH2 3.34Å; E140-R249 IonicContact OE1-CZ 3.4Å; E140-R249 IonicContact OE1-NH1 2.85Å; E140-R249 IonicContact OE1-NH2 3.24Å; E140-R249 PolarHBondContact OE1-NH2 2.92Å; E140-R249 IonicContact OE2-CZ 3.35Å; E140-R249 IonicContact OE2-NH1 2.84Å; E140-R249 PolarHBondContact OE2-NH1 3.29Å; E140-R249 IonicContact OE2-NH2 3.72Å; E140-R249 PolarHBondContact OE2-NH2 2.85Å; D141-R249 WeakPolarHBondContact OD1-CD 3.4Å; D141-R249 VanDerWaalsContact OD1-CG 3.29Å; D141-R249 WeakPolarHBondContact OD1-CG 3.35Å; D141-R249 WeakPolarHBondContact OD2-CD 3.33Å; D141-R249 IonicContact OD2-NH1 2.67Å; D141-R249 PolarHBondContact OD2-NH1 3.21Å; L144-R249 HydrophobicContact CD2-CG 4.28Å
250	D	97.9	Very high	96.5	Very high	27 Å²	27	69.8 Å²	69.8	14%	0.144	38%	0.379	C	S	.	.			trans	-54.3	124.7	169.4	-171.4	54.3	0	0	0	109.1	T137 C138 R171 W252	T137-D250 PolarHBondContact O-N 3.27Å; C138-D250 VanDerWaalsContact SG-CB 3.58Å; R171-D250 PolarHBondContact N-OD2 2.84Å; D250-W252 PolarHBondContact O-N 3.4Å
251	P	96.8	Very high	96.8	Very high	112 Å²	112	71.9 Å²	71.9	73%	0.727	39%	0.39	S	S	*	.	S	Bend	trans	-73.1	-3.7	-169.5	28.9	-37.2	0	0	0	113.6
252	W	96.8	Very high	96.9	Very high	115 Å²	115	70 Å²	70	44%	0.436	38%	0.377	S	S	.	.	S	Bend	trans	-82.7	124.2	-177.4	-63.4	95	0	0	0	110.7	R171 M172 D250	R171-W252 HydrophobicContact CB-CG 4.23Å; M172-W252 HydrophobicContact CE-CZ2 4.27Å; D250-W252 PolarHBondContact O-N 3.4Å
253	P	96.6	Very high	97.2	Very high	117 Å²	117	65.7 Å²	65.7	76%	0.76	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-67.1	143.6	179	27.5	-34.3	0	0	0	111.1	P255	P253-P255 WeakPolarHBondContact O-CD 3.32Å
254	V	98.1	Very high	97.4	Very high	73 Å²	73	64.4 Å²	64.4	44%	0.442	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-94.5	116.8	175.7	-173.4	0	0	0	0	108.8	K258 P260	V254-K258 HydrophobicContact CG1-CB 4.19Å; V254-K258 WeakPolarHBondContact CG1-O 3.2Å; V254-P260 HydrophobicContact CG2-CB 4.1Å; V254-P260 HydrophobicContact CG2-CG 3.94Å
255	P	97.6	Very high	97.6	Very high	86 Å²	86	64.2 Å²	64.2	56%	0.558	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-63.6	159.8	177.8	-20.3	32.1	0	0	0	112.5	P253 G257 K258	P253-P255 WeakPolarHBondContact O-CD 3.32Å; P255-G257 PolarHBondContact O-N 2.84Å; P255-K258 HydrophobicContact CB-CB 4.38Å; P255-K258 HydrophobicContact CB-CG 4.01Å; P255-K258 HydrophobicContact CG-CG 4.33Å; P255-K258 WeakPolarHBondContact O-CB 3.3Å; P255-K258 PolarHBondContact O-N 2.63Å
256	Q	97.6	Very high	97.8	Very high	195 Å²	195	62.8 Å²	62.8	91%	0.911	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	135.6	172.6	-74.9	-75	-18	0	0	111.2	K258	Q256-K258 VanDerWaalsContact C-N 3.27Å; Q256-K258 PolarHBondContact O-N 3.15Å
257	G	97.4	Very high	97.9	Very high	40 Å²	40	56.3 Å²	56.3	41%	0.412	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	14.9	179.7	0	0	0	0	0	115.2	P255 L306	P255-G257 PolarHBondContact O-N 2.84Å; G257-L306 WeakPolarHBondContact O-CB 3.5Å; G257-L306 PolarHBondContact O-N 3.31Å
258	K	98.5	Very high	98	Very high	46 Å²	46	55.4 Å²	55.4	20%	0.2	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-120	154.3	-178.9	-66.1	-75.3	-172.8	158.2	0	112.8	V254 P255 Q256 D304 E305	V254-K258 HydrophobicContact CG1-CB 4.19Å; V254-K258 WeakPolarHBondContact CG1-O 3.2Å; P255-K258 HydrophobicContact CB-CB 4.38Å; P255-K258 HydrophobicContact CB-CG 4.01Å; P255-K258 HydrophobicContact CG-CG 4.33Å; P255-K258 WeakPolarHBondContact O-CB 3.3Å; P255-K258 PolarHBondContact O-N 2.63Å; Q256-K258 VanDerWaalsContact C-N 3.27Å; Q256-K258 PolarHBondContact O-N 3.15Å; K258-D304 CarbonylContact C-O 3.18Å; K258-D304 VanDerWaalsContact CA-O 3.24Å; K258-D304 WeakPolarHBondContact CA-O 3.38Å; K258-D304 HydrophobicContact CD-CB 4.2Å; K258-D304 WeakPolarHBondContact CD-O 3.38Å; K258-D304 WeakPolarHBondContact CD-OD2 3.35Å; K258-D304 WeakPolarHBondContact CE-OD2 3.35Å; K258-D304 IonicContact NZ-OD1 3.25Å; K258-D304 PolarHBondContact NZ-OD1 3.41Å; K258-D304 IonicContact NZ-OD2 2.79Å; K258-D304 PolarHBondContact NZ-OD2 3.44Å; K258-E305 WeakPolarHBondContact CE-OE1 3.3Å; K258-E305 IonicContact NZ-OE1 2.69Å; K258-E305 PolarHBondContact NZ-OE1 3.01Å
259	R	98.5	Very high	98.1	Very high	28 Å²	28	48.9 Å²	48.9	11%	0.106	27%	0.266	C	S	.	.			trans	-86.9	154.5	164.5	-62	-177.2	-177.6	83.5	5.7	109.5	T295 G303 D304 E305 L306 T308	R259-T295 HydrophobicContact CB-CG2 4.13Å; R259-G303 PolarHBondContact NH1-O 2.94Å; R259-D304 PolarHBondContact N-O 3.13Å; R259-E305 PolarHBondContact NH1-O 2.89Å; R259-L306 HydrophobicContact CG-CD2 3.49Å; R259-L306 VanDerWaalsContact CG-CD2 3.49Å; R259-L306 HydrophobicContact CG-CG 4.11Å; R259-T308 PolarHBondContact NH1-O 3.19Å; R259-T308 VanDerWaalsContact NH1-O 3.15Å; R259-T308 PolarHBondContact NH2-O 3.12Å
260	P	98.5	Very high	98.2	Very high	41 Å²	41	44.7 Å²	44.7	27%	0.266	25%	0.25	S	S	.	.			trans	-55.8	149.5	168.9	-20.1	29.5	0	0	0	111.9	C138 V254 R262 T295	C138-P260 HydrophobicContact CB-CB 3.7Å; C138-P260 HydrophobicContact CB-CG 4.29Å; V254-P260 HydrophobicContact CG2-CB 4.1Å; V254-P260 HydrophobicContact CG2-CG 3.94Å; P260-R262 PolarHBondContact O-N 3.08Å; P260-T295 PolarHBondContact O-OG1 3.09Å
261	L	98.7	Very high	98.2	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.246	24%	0.244	C	C	.	.			trans	-81.7	109.9	172.9	-66.9	179.4	0	0	0	109.4	G170 R171 T295 D304	G170-L261 CarbonylContact C-O 3.21Å; R171-L261 VanDerWaalsContact CA-O 3.26Å; R171-L261 WeakPolarHBondContact CA-O 3.28Å; R171-L261 HydrophobicContact CB-CB 4.24Å; R171-L261 HydrophobicContact CG-CB 4.13Å; R171-L261 HydrophobicContact CG-CD1 4.23Å; R171-L261 PolarHBondContact N-O 2.88Å; R171-L261 VanDerWaalsContact N-O 3.1Å; L261-T295 WeakPolarHBondContact CA-OG1 3.41Å; L261-D304 HydrophobicContact CD2-CB 4.03Å
262	R	98.8	Very high	98.3	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.038	21%	0.209	C	C	.	.			trans	-124.8	122.9	-171.6	-168.2	-179.3	-55.9	-172	8.6	111.9	D136 C138 F169 P260 G291 G292 T295 Q296	D136-R262 IonicContact OD1-CZ 3.3Å; D136-R262 IonicContact OD1-NE 2.92Å; D136-R262 IonicContact OD2-CZ 3.6Å; D136-R262 IonicContact OD2-NE 3.8Å; D136-R262 PolarHBondContact OD2-NE 3.09Å; D136-R262 IonicContact OD2-NH1 2.78Å; D136-R262 PolarHBondContact OD2-NH1 3.46Å; D136-R262 IonicContact OD2-NH2 3.52Å; C138-R262 PolarHBondContact O-NH2 2.69Å; F169-R262 HydrophobicContact CD2-CG 4.39Å; F169-R262 HydrophobicContact CE2-CG 3.78Å; P260-R262 PolarHBondContact O-N 3.08Å; R262-G291 PolarHBondContact NH1-O 2.74Å; R262-G291 PolarHBondContact NH2-O 2.83Å; R262-G292 PolarHBondContact NH1-O 2.98Å; R262-T295 PolarHBondContact N-OG1 2.73Å; R262-T295 PolarHBondContact O-N 2.7Å; R262-Q296 PolarHBondContact O-N 2.82Å; R262-Q296 VanDerWaalsContact O-N 3.09Å
263	S	98.6	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.188	C	C	.	.			trans	-107.4	46.1	-171.8	-62.8	0	0	0	0	113.9	G170 G191 G265 V266 A267 Q296	G170-S263 PolarHBondContact O-N 2.99Å; G170-S263 VanDerWaalsContact O-N 3.12Å; G191-S263 VanDerWaalsContact CA-CB 3.42Å; G191-S263 WeakPolarHBondContact CA-OG 3.09Å; G191-S263 WeakPolarHBondContact O-CB 3.3Å; G191-S263 PolarHBondContact O-OG 3.12Å; S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact O-N 3.01Å; S263-V266 PolarHBondContact O-N 2.67Å; S263-V266 VanDerWaalsContact O-N 3.1Å; S263-A267 PolarHBondContact O-N 3.42Å; S263-Q296 PolarHBondContact OG-OE1 3.41Å
264	S	98.8	Very high	98.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-51.6	-45.4	-176.6	-49.1	0	0	0	0	113.1	V266 A267 L268 M288	S264-V266 VanDerWaalsContact C-N 3.32Å; S264-V266 PolarHBondContact O-N 2.95Å; S264-A267 PolarHBondContact O-N 3.39Å; S264-L268 PolarHBondContact O-N 2.71Å; S264-M288 VanDerWaalsContact CB-CE 3.48Å; S264-M288 VanDerWaalsContact O-CE 3.32Å; S264-M288 WeakPolarHBondContact O-CE 3.39Å
265	G	98.6	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.9	-31.5	-178.2	0	0	0	0	0	114	S263 S269 P298 H330	S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact O-N 3.01Å; G265-S269 WeakPolarHBondContact O-CB 3.41Å; G265-S269 PolarHBondContact O-N 2.82Å; G265-S269 VanDerWaalsContact O-N 3.16Å; G265-P298 WeakPolarHBondContact CA-O 3.33Å; G265-H330 PolarHBondContact O-NE2 2.88Å
266	V	98.8	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-77.7	-41.8	175.3	-179.7	0	0	0	0	110.7	V173 G191 K193 S263 S264 L268 S269 I270 P298	V173-V266 HydrophobicContact CG2-CB 4.34Å; V173-V266 HydrophobicContact CG2-CG1 4.1Å; G191-V266 WeakPolarHBondContact O-CG2 3.37Å; K193-V266 WeakPolarHBondContact O-CG1 3.44Å; S263-V266 PolarHBondContact O-N 2.67Å; S263-V266 VanDerWaalsContact O-N 3.1Å; S264-V266 VanDerWaalsContact C-N 3.32Å; S264-V266 PolarHBondContact O-N 2.95Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 3.37Å; V266-S269 PolarHBondContact O-N 2.98Å; V266-I270 HydrophobicContact CG1-CD1 3.94Å; V266-I270 HydrophobicContact CG1-CG1 4.44Å; V266-I270 WeakPolarHBondContact O-CG1 3.49Å; V266-I270 PolarHBondContact O-N 2.78Å; V266-P298 HydrophobicContact CG2-CG 4.31Å
267	A	98.8	Very high	98	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.2	-45.7	176.1	0	0	0	0	0	111.5	V134 F169 V173 S263 S264 I270 A271	V134-A267 HydrophobicContact CG1-CB 4.07Å; F169-A267 HydrophobicContact CB-CB 3.81Å; F169-A267 HydrophobicContact CD1-CB 3.65Å; F169-A267 HydrophobicContact CD2-CB 3.91Å; F169-A267 HydrophobicContact CE1-CB 4.17Å; F169-A267 HydrophobicContact CE2-CB 4.39Å; F169-A267 HydrophobicContact CG-CB 3.5Å; F169-A267 VanDerWaalsContact CG-CB 3.5Å; F169-A267 HydrophobicContact CZ-CB 4.5Å; V173-A267 HydrophobicContact CG1-CB 4.1Å; V173-A267 HydrophobicContact CG2-CB 3.96Å; S263-A267 PolarHBondContact O-N 3.42Å; S264-A267 PolarHBondContact O-N 3.39Å; A267-I270 PolarHBondContact O-N 3.5Å; A267-A271 WeakPolarHBondContact O-CB 3.39Å; A267-A271 PolarHBondContact O-N 2.85Å
268	L	98.8	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.8	-39.4	176.6	-172.5	60.8	0	0	0	112.4	S264 V266 I270 A271 V272 I286 M288 F331 L334 I345	S264-L268 PolarHBondContact O-N 2.71Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 3.37Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.47Å; L268-A271 PolarHBondContact O-N 3.41Å; L268-V272 HydrophobicContact CD1-CG2 4.42Å; L268-V272 HydrophobicContact CG-CG2 4.49Å; L268-V272 WeakPolarHBondContact O-CG2 3.4Å; L268-V272 PolarHBondContact O-N 3.37Å; L268-I286 HydrophobicContact CD1-CG2 3.89Å; L268-M288 HydrophobicContact CB-CE 4.35Å; L268-M288 HydrophobicContact CB-SD 4.04Å; L268-M288 HydrophobicContact CD1-SD 4.15Å; L268-M288 HydrophobicContact CD2-SD 4.2Å; L268-M288 HydrophobicContact CG-SD 4.36Å; L268-F331 HydrophobicContact CD2-CD1 3.86Å; L268-F331 HydrophobicContact CD2-CE1 3.93Å; L268-L334 HydrophobicContact CB-CD1 4.11Å; L268-L334 HydrophobicContact CD2-CD1 4.06Å; L268-L334 HydrophobicContact CG-CD1 3.96Å; L268-I345 HydrophobicContact CD1-CD1 4.35Å; L268-I345 HydrophobicContact CD1-CG2 3.97Å; L268-I345 HydrophobicContact CD2-CG2 4.47Å
269	S	98.8	Very high	97.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.5	-42	176.8	-172.8	0	0	0	0	112.4	D194 L195 G265 V266 G273	D194-S269 WeakPolarHBondContact OD1-CB 3.47Å; D194-S269 PolarHBondContact OD1-OG 3.2Å; L195-S269 PolarHBondContact O-OG 3.1Å; G265-S269 WeakPolarHBondContact O-CB 3.41Å; G265-S269 PolarHBondContact O-N 2.82Å; G265-S269 VanDerWaalsContact O-N 3.16Å; V266-S269 PolarHBondContact O-N 2.98Å; S269-G273 PolarHBondContact O-N 3.43Å
270	I	98.7	Very high	97.2	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-64.9	-44.5	174.8	-69.7	172.1	0	0	0	110.6	I167 V173 V175 F189 L195 L200 V266 A267 L268 V272 G273 L274	I167-I270 HydrophobicContact CD1-CG2 4.29Å; V173-I270 HydrophobicContact CB-CD1 3.97Å; V173-I270 HydrophobicContact CG1-CD1 3.85Å; V173-I270 HydrophobicContact CG2-CD1 4.35Å; V175-I270 HydrophobicContact CG2-CG2 3.65Å; F189-I270 HydrophobicContact CB-CD1 3.72Å; F189-I270 HydrophobicContact CD2-CD1 3.99Å; F189-I270 HydrophobicContact CG-CD1 3.86Å; L195-I270 HydrophobicContact CD1-CD1 4.03Å; L195-I270 HydrophobicContact CD1-CG1 4.13Å; L200-I270 HydrophobicContact CD1-CG2 4.08Å; L200-I270 HydrophobicContact CD2-CG2 3.96Å; L200-I270 WeakPolarHBondContact CD2-O 3.25Å; V266-I270 HydrophobicContact CG1-CD1 3.94Å; V266-I270 HydrophobicContact CG1-CG1 4.44Å; V266-I270 WeakPolarHBondContact O-CG1 3.49Å; V266-I270 PolarHBondContact O-N 2.78Å; A267-I270 PolarHBondContact O-N 3.5Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.47Å; I270-V272 PolarHBondContact O-N 2.95Å; I270-G273 PolarHBondContact O-N 2.77Å; I270-L274 VanDerWaalsContact O-CB 3.3Å; I270-L274 WeakPolarHBondContact O-CB 3.4Å; I270-L274 PolarHBondContact O-N 2.85Å
271	A	98.7	Very high	97	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.3	-47.8	177.5	0	0	0	0	0	112.1	L132 V134 I167 A267 L268 L274 L275 I286	L132-A271 HydrophobicContact CD2-CB 3.78Å; V134-A271 HydrophobicContact CG2-CB 3.71Å; I167-A271 HydrophobicContact CD1-CB 3.8Å; A267-A271 WeakPolarHBondContact O-CB 3.39Å; A267-A271 PolarHBondContact O-N 2.85Å; L268-A271 PolarHBondContact O-N 3.41Å; A271-L274 PolarHBondContact O-N 3.14Å; A271-L275 PolarHBondContact O-N 3.28Å; A271-I286 HydrophobicContact CB-CD1 4.35Å; A271-I286 HydrophobicContact CB-CG2 3.87Å
272	V	98.7	Very high	96.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.4	-48.1	175.4	172.7	0	0	0	0	110.4	L268 I270 L274 L275 E276 I286 R337 A338 I345	L268-V272 HydrophobicContact CD1-CG2 4.42Å; L268-V272 HydrophobicContact CG-CG2 4.49Å; L268-V272 WeakPolarHBondContact O-CG2 3.4Å; L268-V272 PolarHBondContact O-N 3.37Å; I270-V272 PolarHBondContact O-N 2.95Å; V272-L274 VanDerWaalsContact C-N 3.32Å; V272-L274 PolarHBondContact O-N 3.17Å; V272-L275 PolarHBondContact O-N 3.39Å; V272-E276 WeakPolarHBondContact O-CB 3.49Å; V272-E276 PolarHBondContact O-N 3.31Å; V272-I286 HydrophobicContact CB-CD1 4.38Å; V272-I286 HydrophobicContact CG2-CD1 3.69Å; V272-R337 HydrophobicContact CG1-CB 4.01Å; V272-A338 HydrophobicContact CG1-CB 4.42Å; V272-A338 HydrophobicContact CG2-CB 4.37Å; V272-I345 HydrophobicContact CG2-CD1 4.01Å
273	G	97.7	Very high	96.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-35.8	179.7	0	0	0	0	0	113.9	S269 I270 E276 C277	S269-G273 PolarHBondContact O-N 3.43Å; I270-G273 PolarHBondContact O-N 2.77Å; G273-E276 PolarHBondContact O-N 2.89Å; G273-C277 PolarHBondContact O-N 3.5Å; G273-C277 PolarHBondContact O-SG 2.8Å
274	L	96.9	Very high	96.5	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-48.4	178.6	177.7	62.5	0	0	0	110.9	L132 I167 V175 L200 L204 L206 F229 I270 A271 V272 C277 T278	L132-L274 HydrophobicContact CD2-CD2 4.45Å; I167-L274 HydrophobicContact CD1-CD2 4.41Å; V175-L274 HydrophobicContact CG1-CD2 4.2Å; L200-L274 HydrophobicContact CD2-CB 4.04Å; L204-L274 HydrophobicContact CD1-CD1 3.9Å; L206-L274 HydrophobicContact CD1-CD1 3.9Å; F229-L274 HydrophobicContact CB-CD1 4.44Å; F229-L274 HydrophobicContact CB-CD2 4.28Å; F229-L274 HydrophobicContact CD2-CD1 3.97Å; F229-L274 HydrophobicContact CG-CD1 4.4Å; I270-L274 VanDerWaalsContact O-CB 3.3Å; I270-L274 WeakPolarHBondContact O-CB 3.4Å; I270-L274 PolarHBondContact O-N 2.85Å; A271-L274 PolarHBondContact O-N 3.14Å; V272-L274 VanDerWaalsContact C-N 3.32Å; V272-L274 PolarHBondContact O-N 3.17Å; L274-C277 PolarHBondContact O-SG 2.83Å; L274-C277 VanDerWaalsContact O-SG 3.39Å; L274-T278 HydrophobicContact CD1-CG2 4.35Å; L274-T278 WeakPolarHBondContact O-CB 3.13Å; L274-T278 WeakPolarHBondContact O-CG2 3.13Å; L274-T278 PolarHBondContact O-N 2.66Å; L274-T278 PolarHBondContact O-OG1 2.79Å
275	L	96.8	Very high	96.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-70.2	-34.9	178.1	-60.9	-173.2	0	0	0	111.7	I130 L132 L230 A271 V272 C277 T278 F279 A284 I286 H343	I130-L275 HydrophobicContact CG2-CD2 4.14Å; L132-L275 HydrophobicContact CB-CD1 4.41Å; L132-L275 HydrophobicContact CD2-CD1 4.14Å; L132-L275 HydrophobicContact CD2-CD2 4.18Å; L132-L275 HydrophobicContact CD2-CG 3.94Å; L230-L275 HydrophobicContact CD1-CD2 3.66Å; L230-L275 HydrophobicContact CD2-CD2 4.28Å; A271-L275 PolarHBondContact O-N 3.28Å; V272-L275 PolarHBondContact O-N 3.39Å; L275-C277 VanDerWaalsContact C-N 3.33Å; L275-C277 PolarHBondContact O-N 3.05Å; L275-T278 WeakPolarHBondContact CA-OG1 3.3Å; L275-T278 PolarHBondContact O-N 2.89Å; L275-F279 CarbonylContact O-C 3.5Å; L275-F279 PolarHBondContact O-N 3.26Å; L275-A284 HydrophobicContact CD1-CB 3.83Å; L275-I286 HydrophobicContact CD1-CD1 3.94Å; L275-I286 HydrophobicContact CD1-CG1 3.54Å; L275-H343 WeakPolarHBondContact CB-CE1 3.3Å; L275-H343 PolarHBondContact O-CE1 3.08Å
276	E	95.9	Very high	96.6	Very high	61 Å²	61	13.2 Å²	13.2	29%	0.285	7%	0.073	S	C	.	.	H	α-helix	trans	-60.2	-39.3	178.5	-171.1	-176.7	144.8	0	0	112.6	A197 V272 G273 R337	A197-E276 HydrophobicContact CB-CB 4.28Å; A197-E276 HydrophobicContact CB-CG 4.21Å; V272-E276 WeakPolarHBondContact O-CB 3.49Å; V272-E276 PolarHBondContact O-N 3.31Å; G273-E276 PolarHBondContact O-N 2.89Å; E276-R337 IonicContact OE2-CZ 3.72Å; E276-R337 IonicContact OE2-NE 3.9Å; E276-R337 PolarHBondContact OE2-NE 2.85Å; E276-R337 IonicContact OE2-NH2 3.62Å; E276-R337 PolarHBondContact OE2-NH2 3.45Å
277	C	92.8	Very high	96.6	Very high	8 Å²	8	13.2 Å²	13.2	5%	0.054	7%	0.073	C	C	.	.	H	α-helix	trans	-90.4	-10.5	180	70.5	0	0	0	0	114.6	Q201 G273 L274 L275	Q201-C277 HydrophobicContact CB-CB 4.16Å; Q201-C277 HydrophobicContact CG-CB 4.33Å; G273-C277 PolarHBondContact O-N 3.5Å; G273-C277 PolarHBondContact O-SG 2.8Å; L274-C277 PolarHBondContact O-SG 2.83Å; L274-C277 VanDerWaalsContact O-SG 3.39Å; L275-C277 VanDerWaalsContact C-N 3.33Å; L275-C277 PolarHBondContact O-N 3.05Å
278	T	91.7	Very high	96.6	Very high	7 Å²	7	13.2 Å²	13.2	4%	0.043	7%	0.073	C	C	.	.	H	α-helix	trans	-107.6	-55.1	-178.7	54.7	0	0	0	0	113.2	L206 L274 L275	L206-T278 HydrophobicContact CD1-CG2 3.98Å; L206-T278 HydrophobicContact CD2-CG2 4.32Å; L274-T278 HydrophobicContact CD1-CG2 4.35Å; L274-T278 WeakPolarHBondContact O-CB 3.13Å; L274-T278 WeakPolarHBondContact O-CG2 3.13Å; L274-T278 PolarHBondContact O-N 2.66Å; L274-T278 PolarHBondContact O-OG1 2.79Å; L275-T278 WeakPolarHBondContact CA-OG1 3.3Å; L275-T278 PolarHBondContact O-N 2.89Å
279	F	93.3	Very high	96.6	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.035	7%	0.073	C	C	.	.	S	Bend	trans	-131.9	66.1	-173.4	-65.7	-81	0	0	0	112.2	M127 I130 L163 P225 N227 L230 L275 T282 H343	M127-F279 HydrophobicContact CE-CD1 3.94Å; M127-F279 HydrophobicContact CE-CE1 4.25Å; I130-F279 HydrophobicContact CD1-CB 3.43Å; I130-F279 VanDerWaalsContact CD1-CB 3.43Å; I130-F279 HydrophobicContact CD1-CD1 3.95Å; I130-F279 HydrophobicContact CD1-CD2 3.78Å; I130-F279 HydrophobicContact CD1-CG 3.46Å; I130-F279 VanDerWaalsContact CD1-CG 3.46Å; L163-F279 HydrophobicContact CD1-CE1 3.94Å; L163-F279 HydrophobicContact CD1-CE2 3.89Å; L163-F279 HydrophobicContact CD1-CZ 3.48Å; L163-F279 VanDerWaalsContact CD1-CZ 3.48Å; P225-F279 HydrophobicContact CB-CE1 4.38Å; P225-F279 HydrophobicContact CG-CE1 4.28Å; P225-F279 WeakPolarHBondContact O-CE1 3.4Å; P225-F279 VanDerWaalsContact O-CZ 3.3Å; P225-F279 WeakPolarHBondContact O-CZ 3.48Å; N227-F279 HydrophobicContact CB-CE2 4.07Å; L230-F279 HydrophobicContact CB-CE2 4.16Å; L230-F279 HydrophobicContact CD1-CD2 3.49Å; L230-F279 VanDerWaalsContact CD1-CD2 3.49Å; L230-F279 HydrophobicContact CD1-CE2 3.53Å; L230-F279 HydrophobicContact CG-CE2 4.5Å; L275-F279 CarbonylContact O-C 3.5Å; L275-F279 PolarHBondContact O-N 3.26Å; F279-T282 HydrophobicContact CB-CG2 3.78Å; F279-T282 WeakPolarHBondContact O-CG2 3.32Å; F279-H343 PolarHBondContact O-CE1 2.95Å; F279-H343 PolarHBondContact O-NE2 3.18Å
280	P	93.9	Very high	96.6	Very high	56 Å²	56	13.2 Å²	13.2	36%	0.364	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	150.4	176	31.5	-35.7	0	0	0	112	T282 T341	P280-T282 VanDerWaalsContact C-N 3.31Å; P280-T282 PolarHBondContact O-N 3.41Å; P280-T341 HydrophobicContact CB-CG2 3.69Å
281	N	93.1	Very high	96.6	Very high	123 Å²	123	13.9 Å²	13.9	66%	0.658	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	28.3	173.7	-53.2	-59.5	0	0	0	115.6	T341	N281-T341 WeakPolarHBondContact CA-O 3.43Å; N281-T341 PolarHBondContact N-O 3.4Å
282	T	93.3	Very high	96.5	Very high	12 Å²	12	14.1 Å²	14.1	7%	0.074	8%	0.082	C	C	.	.	S	Bend	trans	-129.1	158.9	171.5	-171.5	0	0	0	0	110.4	M127 I130 F279 P280 A284 H343	M127-T282 WeakPolarHBondContact CB-OG1 3.47Å; M127-T282 HydrophobicContact CE-CG2 4.47Å; I130-T282 HydrophobicContact CD1-CG2 3.85Å; F279-T282 HydrophobicContact CB-CG2 3.78Å; F279-T282 WeakPolarHBondContact O-CG2 3.32Å; P280-T282 VanDerWaalsContact C-N 3.31Å; P280-T282 PolarHBondContact O-N 3.41Å; T282-A284 PolarHBondContact O-N 3.18Å; T282-A284 VanDerWaalsContact O-N 3.17Å; T282-H343 PolarHBondContact O-CD2 3.09Å
283	G	95.1	Very high	96.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.			trans	-61.6	114.4	178.5	0	0	0	0	0	112.9	I130	I130-G283 PolarHBondContact N-O 3.11Å
284	A	98.2	Very high	96.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.7	173.7	0	0	0	0	0	111.1	I130 L275 T282 V344	I130-A284 HydrophobicContact CB-CB 3.73Å; I130-A284 HydrophobicContact CD1-CB 4.43Å; I130-A284 HydrophobicContact CG1-CB 4.49Å; I130-A284 HydrophobicContact CG2-CB 4.21Å; I130-A284 CarbonylContact O-C 3.36Å; I130-A284 VanDerWaalsContact O-CA 3.28Å; I130-A284 WeakPolarHBondContact O-CA 3.36Å; L275-A284 HydrophobicContact CD1-CB 3.83Å; T282-A284 PolarHBondContact O-N 3.18Å; T282-A284 VanDerWaalsContact O-N 3.17Å; A284-V344 WeakPolarHBondContact O-CB 3.44Å; A284-V344 PolarHBondContact O-N 2.92Å
285	R	98.7	Very high	96.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.2	171.3	-58.1	-165.1	93.1	107.1	0.7	110.8	I130 F131 L132 M287 V344 D346 Y370 F402	I130-R285 PolarHBondContact O-N 2.93Å; F131-R285 HydrophobicContact CD1-CB 4.09Å; F131-R285 HydrophobicContact CD1-CG 4.35Å; F131-R285 HydrophobicContact CE1-CB 4.43Å; F131-R285 HydrophobicContact CE1-CG 4.19Å; L132-R285 PolarHBondContact N-O 2.87Å; R285-M287 HydrophobicContact CB-CG 4.25Å; R285-V344 HydrophobicContact CG-CB 4.18Å; R285-D346 IonicContact CZ-OD1 3.57Å; R285-D346 IonicContact CZ-OD2 3.73Å; R285-D346 IonicContact NE-OD1 3.28Å; R285-D346 IonicContact NE-OD2 2.88Å; R285-D346 PolarHBondContact NE-OD2 3.45Å; R285-D346 IonicContact NH2-OD1 2.58Å; R285-D346 PolarHBondContact NH2-OD1 3.45Å; R285-D346 IonicContact NH2-OD2 3.08Å; R285-Y370 VanDerWaalsContact NH2-CE2 3.28Å; R285-F402 HydrophobicContact CG-CE1 3.46Å; R285-F402 VanDerWaalsContact CG-CE1 3.46Å; R285-F402 HydrophobicContact CG-CZ 3.89Å
286	I	98.9	Very high	96.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.5	165.3	-56.5	174.9	0	0	0	106.4	L132 V134 L268 A271 V272 L275 V344 I345 D346	L132-I286 HydrophobicContact CD2-CG1 4.44Å; V134-I286 HydrophobicContact CG2-CG2 3.68Å; L268-I286 HydrophobicContact CD1-CG2 3.89Å; A271-I286 HydrophobicContact CB-CD1 4.35Å; A271-I286 HydrophobicContact CB-CG2 3.87Å; V272-I286 HydrophobicContact CB-CD1 4.38Å; V272-I286 HydrophobicContact CG2-CD1 3.69Å; L275-I286 HydrophobicContact CD1-CD1 3.94Å; L275-I286 HydrophobicContact CD1-CG1 3.54Å; I286-V344 PolarHBondContact N-O 3.03Å; I286-I345 HydrophobicContact CB-CG1 4.35Å; I286-I345 HydrophobicContact CD1-CG1 4.26Å; I286-I345 CarbonylContact O-C 3.52Å; I286-I345 WeakPolarHBondContact O-CA 3.41Å; I286-D346 PolarHBondContact O-N 3.05Å
287	M	98.9	Very high	96.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	104.6	-178.3	-65.7	179.1	-65	0	0	109	F131 L132 Y133 V134 R285 F289 D346 Y348 F386 F390	F131-M287 HydrophobicContact CB-CE 3.85Å; F131-M287 HydrophobicContact CD1-CE 3.83Å; F131-M287 HydrophobicContact CD1-SD 4.21Å; F131-M287 HydrophobicContact CG-CE 4.3Å; L132-M287 PolarHBondContact O-N 2.87Å; Y133-M287 HydrophobicContact CD1-CE 3.82Å; Y133-M287 HydrophobicContact CD2-CE 3.99Å; Y133-M287 HydrophobicContact CE1-CE 3.47Å; Y133-M287 VanDerWaalsContact CE1-CE 3.47Å; Y133-M287 HydrophobicContact CE2-CE 3.64Å; Y133-M287 HydrophobicContact CG-CE 4.07Å; V134-M287 PolarHBondContact N-O 3.48Å; R285-M287 HydrophobicContact CB-CG 4.25Å; M287-F289 HydrophobicContact CB-CE2 3.77Å; M287-F289 HydrophobicContact CB-CZ 4Å; M287-F289 WeakPolarHBondContact O-CD2 3.45Å; M287-F289 WeakPolarHBondContact O-CE2 3.47Å; M287-D346 HydrophobicContact CG-CB 4.37Å; M287-Y348 HydrophobicContact CB-CE2 3.97Å; M287-Y348 HydrophobicContact CG-CE2 4.16Å; M287-F386 HydrophobicContact SD-CE2 4.43Å; M287-F390 HydrophobicContact SD-CZ 3.94Å
288	M	98.9	Very high	97.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.9	-176.2	-170	176.2	-171.3	0	0	111.1	V134 F169 S264 L268 I290 D346 Y348	V134-M288 HydrophobicContact CB-CB 4.38Å; V134-M288 HydrophobicContact CB-CG 4.33Å; V134-M288 HydrophobicContact CG1-CG 4.3Å; V134-M288 WeakPolarHBondContact O-CA 3.3Å; F169-M288 HydrophobicContact CE1-CE 4.12Å; F169-M288 HydrophobicContact CZ-CE 3.74Å; S264-M288 VanDerWaalsContact CB-CE 3.48Å; S264-M288 VanDerWaalsContact O-CE 3.32Å; S264-M288 WeakPolarHBondContact O-CE 3.39Å; L268-M288 HydrophobicContact CB-CE 4.35Å; L268-M288 HydrophobicContact CB-SD 4.04Å; L268-M288 HydrophobicContact CD1-SD 4.15Å; L268-M288 HydrophobicContact CD2-SD 4.2Å; L268-M288 HydrophobicContact CG-SD 4.36Å; M288-I290 HydrophobicContact CE-CG2 3.82Å; M288-I290 HydrophobicContact CG-CG2 4.01Å; M288-I290 HydrophobicContact SD-CG2 4.39Å; M288-D346 PolarHBondContact N-O 3.41Å; M288-Y348 PolarHBondContact O-N 3.13Å
289	F	98.9	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123	179	-54.4	-91.8	0	0	0	109.1	Y133 V134 V135 D136 L147 M151 M287 Y348 F377 F382 F386	Y133-F289 AromaticContact CD1-CE2 3.84Å; Y133-F289 HydrophobicContact CD1-CE2 3.84Å; Y133-F289 HydrophobicContact CD1-CZ 4.27Å; V134-F289 PolarHBondContact O-N 3.25Å; V135-F289 HydrophobicContact CG2-CD2 4.29Å; D136-F289 WeakPolarHBondContact CB-O 3.48Å; D136-F289 PolarHBondContact N-O 3.47Å; L147-F289 HydrophobicContact CD1-CB 4.11Å; L147-F289 HydrophobicContact CD1-CD1 3.42Å; L147-F289 VanDerWaalsContact CD1-CD1 3.42Å; L147-F289 HydrophobicContact CD1-CE1 3.97Å; L147-F289 HydrophobicContact CD1-CG 3.82Å; L147-F289 HydrophobicContact CD2-CB 3.78Å; L147-F289 HydrophobicContact CD2-CG 4.32Å; M151-F289 HydrophobicContact CG-CE2 4.49Å; M151-F289 HydrophobicContact CG-CZ 4.42Å; M151-F289 HydrophobicContact SD-CD2 4.34Å; M151-F289 HydrophobicContact SD-CE2 4.24Å; M287-F289 HydrophobicContact CB-CE2 3.77Å; M287-F289 HydrophobicContact CB-CZ 4Å; M287-F289 WeakPolarHBondContact O-CD2 3.45Å; M287-F289 WeakPolarHBondContact O-CE2 3.47Å; F289-Y348 WeakPolarHBondContact CA-O 3.33Å; F289-Y348 AromaticContact CD1-CD2 3.75Å; F289-Y348 HydrophobicContact CD1-CD2 3.75Å; F289-Y348 AromaticContact CD1-CG 3.85Å; F289-Y348 HydrophobicContact CD1-CG 3.85Å; F289-Y348 HydrophobicContact CE1-CD1 4.47Å; F289-Y348 AromaticContact CE1-CD2 3.42Å; F289-Y348 HydrophobicContact CE1-CD2 3.42Å; F289-Y348 VanDerWaalsContact CE1-CD2 3.42Å; F289-Y348 HydrophobicContact CE1-CE2 4.02Å; F289-Y348 AromaticContact CE1-CG 3.71Å; F289-Y348 HydrophobicContact CE1-CG 3.71Å; F289-Y348 HydrophobicContact CE2-CD2 4.47Å; F289-Y348 HydrophobicContact CG-CD2 4.41Å; F289-Y348 AromaticContact CZ-CD2 3.83Å; F289-Y348 HydrophobicContact CZ-CD2 3.83Å; F289-Y348 HydrophobicContact CZ-CE2 4.07Å; F289-F377 HydrophobicContact CB-CE1 4.48Å; F289-F377 HydrophobicContact CB-CZ 4.18Å; F289-F377 HydrophobicContact CD1-CE1 4.3Å; F289-F382 HydrophobicContact CD1-CZ 4.24Å; F289-F382 HydrophobicContact CE1-CZ 4.19Å; F289-F386 HydrophobicContact CE1-CD2 4.11Å; F289-F386 AromaticContact CE1-CE2 3.64Å; F289-F386 HydrophobicContact CE1-CE2 3.64Å; F289-F386 AromaticContact CE1-CZ 3.87Å; F289-F386 HydrophobicContact CE1-CZ 3.87Å; F289-F386 HydrophobicContact CZ-CD2 4.47Å; F289-F386 HydrophobicContact CZ-CE1 4.49Å; F289-F386 AromaticContact CZ-CE2 3.57Å; F289-F386 HydrophobicContact CZ-CE2 3.57Å; F289-F386 AromaticContact CZ-CZ 3.57Å; F289-F386 HydrophobicContact CZ-CZ 3.57Å
290	I	98.9	Very high	97.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132	-176.2	62.2	-178.7	0	0	0	111.7	F169 M288 I347 Y348 A349 C350 M360 F377	F169-I290 HydrophobicContact CZ-CG2 4.07Å; M288-I290 HydrophobicContact CE-CG2 3.82Å; M288-I290 HydrophobicContact CG-CG2 4.01Å; M288-I290 HydrophobicContact SD-CG2 4.39Å; I290-I347 HydrophobicContact CD1-CG2 4.05Å; I290-Y348 PolarHBondContact N-O 2.95Å; I290-A349 HydrophobicContact CD1-CB 4.01Å; I290-A349 HydrophobicContact CG1-CB 3.76Å; I290-A349 WeakPolarHBondContact O-CA 3.08Å; I290-C350 PolarHBondContact O-N 2.98Å; I290-M360 HydrophobicContact CD1-CE 3.49Å; I290-M360 VanDerWaalsContact CD1-CE 3.49Å; I290-M360 HydrophobicContact CD1-SD 4.34Å; I290-F377 WeakPolarHBondContact O-CZ 3.47Å
291	G	98.4	Very high	97.9	Very high	15 Å²	15	15.6 Å²	15.6	16%	0.155	10%	0.097	C	C	.	.	S	Bend	trans	-100	35.8	178.1	0	0	0	0	0	114.6	D136 R262 C350	D136-G291 PolarHBondContact OD2-N 2.82Å; R262-G291 PolarHBondContact NH1-O 2.74Å; R262-G291 PolarHBondContact NH2-O 2.83Å; G291-C350 VanDerWaalsContact CA-O 3.3Å; G291-C350 WeakPolarHBondContact CA-O 3.41Å
292	G	98.4	Very high	98.1	Very high	4 Å²	4	9.9 Å²	9.9	4%	0.041	7%	0.066	C	C	.	.	S	Bend	trans	138.7	-179.9	-162.9	0	0	0	0	0	116.1	R262	R262-G292 PolarHBondContact NH1-O 2.98Å
293	P	98.7	Very high	98.3	Very high	15 Å²	15	9.9 Å²	9.9	10%	0.097	7%	0.068	C	C	.	.			trans	-85.1	157.4	-171.7	33.7	-35.8	0	0	0	114.3	T295 V301 V302 I310 Q354 T355	P293-T295 PolarHBondContact O-N 3.27Å; P293-V301 HydrophobicContact CB-CB 4.31Å; P293-V301 HydrophobicContact CB-CG1 4.36Å; P293-V302 HydrophobicContact CB-CG1 4.02Å; P293-V302 HydrophobicContact CG-CG1 3.69Å; P293-I310 HydrophobicContact CG-CD1 4.03Å; P293-Q354 WeakPolarHBondContact CD-O 3.18Å; P293-T355 WeakPolarHBondContact CA-O 3.38Å
294	A	98.8	Very high	98.5	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.008	8%	0.081	C	C	.	.			trans	-69.5	123.2	170.6	0	0	0	0	0	111	G299 V301 V302	A294-G299 WeakPolarHBondContact CB-O 3.21Å; A294-V301 HydrophobicContact CB-CG2 4.26Å; A294-V301 PolarHBondContact O-N 3.49Å; A294-V302 PolarHBondContact O-N 3.44Å
295	T	98.8	Very high	98.5	Very high	7 Å²	7	15.5 Å²	15.5	4%	0.043	10%	0.096	C	C	.	.			trans	-118.6	0.1	-176.1	57.4	0	0	0	0	113.7	R259 P260 L261 R262 P293 V302	R259-T295 HydrophobicContact CB-CG2 4.13Å; P260-T295 PolarHBondContact O-OG1 3.09Å; L261-T295 WeakPolarHBondContact CA-OG1 3.41Å; R262-T295 PolarHBondContact N-OG1 2.73Å; R262-T295 PolarHBondContact O-N 2.7Å; P293-T295 PolarHBondContact O-N 3.27Å; T295-V302 WeakPolarHBondContact CA-O 3.28Å; T295-V302 HydrophobicContact CG2-CG1 4Å
296	Q	98.3	Very high	98.4	Very high	31 Å²	31	19.7 Å²	19.7	15%	0.145	12%	0.118	C	C	.	.	S	Bend	trans	-145.9	140.3	179.8	179.7	174.2	80	0	0	112.2	R171 T192 R262 S263	R171-Q296 PolarHBondContact O-OE1 2.83Å; T192-Q296 VanDerWaalsContact CG2-CD 3.44Å; T192-Q296 HydrophobicContact CG2-CG 3.69Å; R262-Q296 PolarHBondContact O-N 2.82Å; R262-Q296 VanDerWaalsContact O-N 3.09Å; S263-Q296 PolarHBondContact OG-OE1 3.41Å
297	G	97.9	Very high	98.4	Very high	24 Å²	24	27.6 Å²	27.6	25%	0.247	15%	0.152	C	C	.	.	S	Bend	trans	82	-172.7	170.6	0	0	0	0	0	114.5	M300	G297-M300 VanDerWaalsContact O-CB 3.26Å; G297-M300 WeakPolarHBondContact O-CB 3.41Å; G297-M300 PolarHBondContact O-N 3.32Å
298	P	98.1	Very high	98.3	Very high	38 Å²	38	30.7 Å²	30.7	25%	0.247	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	137.3	170.5	-24.8	33.2	0	0	0	111.8	D194 G265 V266	D194-P298 HydrophobicContact CB-CG 3.95Å; G265-P298 WeakPolarHBondContact CA-O 3.33Å; V266-P298 HydrophobicContact CG2-CG 4.31Å
299	G	97.6	Very high	98.2	Very high	4 Å²	4	35.2 Å²	35.2	4%	0.041	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	9.4	-174.3	0	0	0	0	0	115	A294 F331	A294-G299 WeakPolarHBondContact CB-O 3.21Å; G299-F331 WeakPolarHBondContact O-CE2 3.32Å
300	M	98.4	Very high	98.2	Very high	50 Å²	50	35.8 Å²	35.8	25%	0.246	20%	0.203	C	C	.	.			trans	-59.1	137.6	174.8	-176.4	164.6	78.6	0	0	112.1	G297 V302 Y323	G297-M300 VanDerWaalsContact O-CB 3.26Å; G297-M300 WeakPolarHBondContact O-CB 3.41Å; G297-M300 PolarHBondContact O-N 3.32Å; M300-V302 WeakPolarHBondContact CG-O 3.43Å; M300-Y323 HydrophobicContact CE-CD1 3.74Å; M300-Y323 HydrophobicContact CE-CE1 3.23Å; M300-Y323 WeakPolarHBondContact O-CB 3.39Å
301	V	98.6	Very high	98.2	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	21%	0.206	C	C	.	.			trans	-109.2	-36	-175.1	174.6	0	0	0	0	111.2	P293 A294 Y323 E359	P293-V301 HydrophobicContact CB-CB 4.31Å; P293-V301 HydrophobicContact CB-CG1 4.36Å; A294-V301 HydrophobicContact CB-CG2 4.26Å; A294-V301 PolarHBondContact O-N 3.49Å; V301-Y323 WeakPolarHBondContact O-CB 3.33Å; V301-Y323 WeakPolarHBondContact O-CD2 3.47Å; V301-E359 HydrophobicContact CG2-CB 4.47Å; V301-E359 HydrophobicContact CG2-CG 4.32Å
302	V	98.7	Very high	98.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	21%	0.213	C	C	.	.	S	Bend	trans	-147.2	157.7	179.4	68.7	0	0	0	0	109.9	P293 A294 T295 M300 I310	P293-V302 HydrophobicContact CB-CG1 4.02Å; P293-V302 HydrophobicContact CG-CG1 3.69Å; A294-V302 PolarHBondContact O-N 3.44Å; T295-V302 WeakPolarHBondContact CA-O 3.28Å; T295-V302 HydrophobicContact CG2-CG1 4Å; M300-V302 WeakPolarHBondContact CG-O 3.43Å; V302-I310 HydrophobicContact CB-CG1 4.16Å; V302-I310 HydrophobicContact CG1-CG1 4.07Å; V302-I310 HydrophobicContact CG2-CG1 4.06Å
303	G	98.1	Very high	98	Very high	11 Å²	11	40.3 Å²	40.3	11%	0.113	22%	0.221	C	C	.	.			trans	-72.1	168	170.9	0	0	0	0	0	113	R259 E305	R259-G303 PolarHBondContact NH1-O 2.94Å; G303-E305 VanDerWaalsContact C-N 3.34Å
304	D	98.1	Very high	97.8	Very high	53 Å²	53	44.6 Å²	44.6	28%	0.283	24%	0.24	S	C	.	.	S	Bend	trans	-74.5	-21	178.9	68	-26.3	0	0	0	113.3	K258 R259 L261 L306	K258-D304 CarbonylContact C-O 3.18Å; K258-D304 VanDerWaalsContact CA-O 3.24Å; K258-D304 WeakPolarHBondContact CA-O 3.38Å; K258-D304 HydrophobicContact CD-CB 4.2Å; K258-D304 WeakPolarHBondContact CD-O 3.38Å; K258-D304 WeakPolarHBondContact CD-OD2 3.35Å; K258-D304 WeakPolarHBondContact CE-OD2 3.35Å; K258-D304 IonicContact NZ-OD1 3.25Å; K258-D304 PolarHBondContact NZ-OD1 3.41Å; K258-D304 IonicContact NZ-OD2 2.79Å; K258-D304 PolarHBondContact NZ-OD2 3.44Å; R259-D304 PolarHBondContact N-O 3.13Å; L261-D304 HydrophobicContact CD2-CB 4.03Å; D304-L306 PolarHBondContact O-N 3.4Å
305	E	98.2	Very high	97.6	Very high	66 Å²	66	46 Å²	46	31%	0.308	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-69.4	116.6	177.9	-66.2	-79.2	169.3	0	0	113.1	K258 R259 G303 K307 T308	K258-E305 WeakPolarHBondContact CE-OE1 3.3Å; K258-E305 IonicContact NZ-OE1 2.69Å; K258-E305 PolarHBondContact NZ-OE1 3.01Å; R259-E305 PolarHBondContact NH1-O 2.89Å; G303-E305 VanDerWaalsContact C-N 3.34Å; E305-K307 VanDerWaalsContact C-N 3.27Å; E305-K307 HydrophobicContact CB-CG 4.14Å; E305-K307 PolarHBondContact O-N 3.36Å; E305-K307 WeakPolarHBondContact OE2-CE 3.35Å; E305-K307 IonicContact OE2-NZ 2.67Å; E305-T308 PolarHBondContact O-N 2.98Å; E305-T308 VanDerWaalsContact O-N 3.11Å
306	L	97.6	Very high	97.4	Very high	88 Å²	88	47.9 Å²	47.9	46%	0.461	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.7	-179.6	-78.2	172.6	0	0	0	113.6	G257 R259 D304 T308	G257-L306 WeakPolarHBondContact O-CB 3.5Å; G257-L306 PolarHBondContact O-N 3.31Å; R259-L306 HydrophobicContact CG-CD2 3.49Å; R259-L306 VanDerWaalsContact CG-CD2 3.49Å; R259-L306 HydrophobicContact CG-CG 4.11Å; D304-L306 PolarHBondContact O-N 3.4Å; L306-T308 PolarHBondContact O-N 3.02Å; L306-T308 VanDerWaalsContact O-N 3.12Å
307	K	97.6	Very high	97.1	Very high	166 Å²	166	52.6 Å²	52.6	72%	0.722	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.3	175.2	69.4	-172.7	175	-167.2	0	113.3	E305	E305-K307 VanDerWaalsContact C-N 3.27Å; E305-K307 HydrophobicContact CB-CG 4.14Å; E305-K307 PolarHBondContact O-N 3.36Å; E305-K307 WeakPolarHBondContact OE2-CE 3.35Å; E305-K307 IonicContact OE2-NZ 2.67Å
308	T	97.3	Very high	96.9	Very high	65 Å²	65	57.9 Å²	57.9	40%	0.399	30%	0.299	S	S	.	.	S	Bend	trans	-91.4	117	173.6	-53.2	0	0	0	0	108	R259 E305 L306	R259-T308 PolarHBondContact NH1-O 3.19Å; R259-T308 VanDerWaalsContact NH1-O 3.15Å; R259-T308 PolarHBondContact NH2-O 3.12Å; E305-T308 PolarHBondContact O-N 2.98Å; E305-T308 VanDerWaalsContact O-N 3.11Å; L306-T308 PolarHBondContact O-N 3.02Å; L306-T308 VanDerWaalsContact O-N 3.12Å
309	P	97.7	Very high	96.6	Very high	94 Å²	94	61.4 Å²	61.4	61%	0.61	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-69.3	162.1	176.6	30.2	-35.1	0	0	0	111.1
310	I	98.4	Very high	96.5	Very high	12 Å²	12	66.1 Å²	66.1	6%	0.062	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-72.9	145.7	166.8	-59.9	160.6	0	0	0	108	P293 V302 D353 Q354	P293-I310 HydrophobicContact CG-CD1 4.03Å; V302-I310 HydrophobicContact CB-CG1 4.16Å; V302-I310 HydrophobicContact CG1-CG1 4.07Å; V302-I310 HydrophobicContact CG2-CG1 4.06Å; I310-D353 HydrophobicContact CD1-CB 4.28Å; I310-Q354 HydrophobicContact CD1-CB 4.29Å; I310-Q354 WeakPolarHBondContact CD1-O 3.42Å; I310-Q354 HydrophobicContact CG2-CB 3.93Å
311	R	97.9	Very high	96.4	Very high	14 Å²	14	64.4 Å²	64.4	5%	0.053	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-53.7	139.9	-178.4	76.4	-67.6	177.2	-87.9	10.5	113	D315 I316 A321 V324 Q354 E359 D598	R311-D315 HydrophobicContact CB-CB 4.4Å; R311-I316 HydrophobicContact CB-CG1 4.48Å; R311-I316 HydrophobicContact CG-CD1 4.02Å; R311-I316 HydrophobicContact CG-CG1 4.14Å; R311-A321 HydrophobicContact CB-CB 3.99Å; R311-V324 HydrophobicContact CB-CG2 4.48Å; R311-V324 HydrophobicContact CG-CG2 3.78Å; R311-Q354 PolarHBondContact O-NE2 2.89Å; R311-E359 IonicContact CZ-OE1 3.91Å; R311-E359 IonicContact CZ-OE2 2.78Å; R311-E359 IonicContact NE-OE1 3.22Å; R311-E359 PolarHBondContact NE-OE1 3.28Å; R311-E359 IonicContact NE-OE2 3.48Å; R311-E359 IonicContact NH2-OE1 2.77Å; R311-E359 IonicContact NH2-OE2 3Å; R311-E359 PolarHBondContact NH2-OE2 3.02Å; R311-D598 IonicContact CZ-OD1 3.84Å; R311-D598 IonicContact NH1-OD1 3.92Å; R311-D598 IonicContact NH2-OD1 3.33Å; R311-D598 PolarHBondContact NH2-OD1 2.88Å
312	S	97.8	Very high	96.3	Very high	44 Å²	44	72.4 Å²	72.4	31%	0.308	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-101.5	171.8	166.2	68.4	0	0	0	0	111.6	H314 D315 I316	S312-H314 PolarHBondContact O-N 2.87Å; S312-H314 PolarHBondContact OG-N 3.25Å; S312-D315 WeakPolarHBondContact CB-OD2 3.49Å; S312-D315 PolarHBondContact N-OD2 2.8Å; S312-D315 PolarHBondContact O-N 3.1Å; S312-D315 VanDerWaalsContact OG-CG 3.29Å; S312-D315 PolarHBondContact OG-N 2.91Å; S312-D315 VanDerWaalsContact OG-N 3.16Å; S312-D315 PolarHBondContact OG-OD2 2.77Å; S312-I316 WeakPolarHBondContact O-CG1 3.23Å; S312-I316 PolarHBondContact O-N 2.87Å; S312-I316 VanDerWaalsContact O-N 3.13Å
313	W	94.9	Very high	96.2	Very high	56 Å²	56	76.1 Å²	76.1	21%	0.212	38%	0.383	C	S	.	.	H	α-helix	trans	-58.3	-38.1	171	-81.3	120.1	0	0	0	112.6	D315 I316 D317 L358 V592 N595 P597 S600	W313-D315 VanDerWaalsContact C-N 3.35Å; W313-D315 PolarHBondContact O-N 3.18Å; W313-I316 HydrophobicContact CE3-CD1 4.13Å; W313-I316 HydrophobicContact CZ3-CD1 4.35Å; W313-I316 PolarHBondContact O-N 2.85Å; W313-D317 WeakPolarHBondContact O-CB 3.41Å; W313-D317 PolarHBondContact O-N 3.18Å; W313-L358 HydrophobicContact CH2-CD1 4.26Å; W313-V592 HydrophobicContact CB-CG2 4.27Å; W313-V592 HydrophobicContact CD2-CB 4.12Å; W313-V592 HydrophobicContact CD2-CG2 3.78Å; W313-V592 HydrophobicContact CE3-CG2 4.36Å; W313-V592 HydrophobicContact CG-CB 4.09Å; W313-V592 HydrophobicContact CG-CG2 3.71Å; W313-V592 HydrophobicContact CZ2-CB 4.36Å; W313-V592 HydrophobicContact CZ2-CG1 4.12Å; W313-N595 VanDerWaalsContact CD1-O 3.24Å; W313-P597 HydrophobicContact CD2-CB 4.26Å; W313-P597 HydrophobicContact CD2-CG 3.96Å; W313-P597 HydrophobicContact CG-CG 3.97Å; W313-P597 HydrophobicContact CZ2-CB 4.08Å; W313-S600 PolarHBondContact NE1-OG 2.8Å
314	H	94.4	Very high	96.2	Very high	105 Å²	105	76.4 Å²	76.4	49%	0.486	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-36.7	177.5	175.3	-89.3	0	0	0	112.4	S312 I316 K318	S312-H314 PolarHBondContact O-N 2.87Å; S312-H314 PolarHBondContact OG-N 3.25Å; H314-I316 VanDerWaalsContact C-N 3.34Å; H314-K318 VanDerWaalsContact CE1-CD 3.49Å; H314-K318 WeakPolarHBondContact CE1-CD 3.43Å; H314-K318 PolarHBondContact CE1-NZ 2.65Å; H314-K318 VanDerWaalsContact CE1-NZ 3.29Å; H314-K318 WeakPolarHBondContact NE2-CE 3.4Å; H314-K318 PolarHBondContact NE2-NZ 2.83Å; H314-K318 WeakPolarHBondContact O-CB 3.32Å; H314-K318 WeakPolarHBondContact O-CG 3.46Å; H314-K318 PolarHBondContact O-N 2.99Å; H314-K318 VanDerWaalsContact O-N 3.09Å
315	D	95.9	Very high	96.2	Very high	32 Å²	32	80.8 Å²	80.8	17%	0.171	40%	0.399	C	S	.	.	H	α-helix	trans	-67.9	-36	174	-61.1	-55.4	0	0	0	112	R311 S312 W313 D319 N320 A321	R311-D315 HydrophobicContact CB-CB 4.4Å; S312-D315 WeakPolarHBondContact CB-OD2 3.49Å; S312-D315 PolarHBondContact N-OD2 2.8Å; S312-D315 PolarHBondContact O-N 3.1Å; S312-D315 VanDerWaalsContact OG-CG 3.29Å; S312-D315 PolarHBondContact OG-N 2.91Å; S312-D315 VanDerWaalsContact OG-N 3.16Å; S312-D315 PolarHBondContact OG-OD2 2.77Å; W313-D315 VanDerWaalsContact C-N 3.35Å; W313-D315 PolarHBondContact O-N 3.18Å; D315-D319 PolarHBondContact O-N 3.49Å; D315-N320 HydrophobicContact CB-CB 4.39Å; D315-N320 CarbonylContact O-C 3.57Å; D315-N320 WeakPolarHBondContact O-CA 3.47Å; D315-N320 PolarHBondContact O-N 3.45Å; D315-A321 PolarHBondContact O-N 3.09Å
316	I	94.3	Very high	96.1	Very high	45 Å²	45	85.8 Å²	85.8	23%	0.231	42%	0.42	C	S	.	.	H	α-helix	trans	-68.4	-46.4	177.9	-66.1	166.2	0	0	0	110.4	R311 S312 W313 H314 K318 D319 A321 V324 L358 P597	R311-I316 HydrophobicContact CB-CG1 4.48Å; R311-I316 HydrophobicContact CG-CD1 4.02Å; R311-I316 HydrophobicContact CG-CG1 4.14Å; S312-I316 WeakPolarHBondContact O-CG1 3.23Å; S312-I316 PolarHBondContact O-N 2.87Å; S312-I316 VanDerWaalsContact O-N 3.13Å; W313-I316 HydrophobicContact CE3-CD1 4.13Å; W313-I316 HydrophobicContact CZ3-CD1 4.35Å; W313-I316 PolarHBondContact O-N 2.85Å; H314-I316 VanDerWaalsContact C-N 3.34Å; I316-K318 VanDerWaalsContact C-N 3.33Å; I316-K318 PolarHBondContact O-N 3.4Å; I316-D319 PolarHBondContact O-N 3.42Å; I316-D319 VanDerWaalsContact O-N 3.09Å; I316-A321 HydrophobicContact CG1-CB 3.83Å; I316-V324 HydrophobicContact CG1-CG2 4.26Å; I316-L358 HydrophobicContact CD1-CD2 3.51Å; I316-P597 HydrophobicContact CD1-CB 4.04Å; I316-P597 HydrophobicContact CD1-CG 3.75Å
317	D	90.8	Very high	96.2	Very high	130 Å²	130	81.7 Å²	81.7	70%	0.695	40%	0.398	S	S	*	.	H	α-helix	trans	-60.8	-41.4	179.2	-174.8	61.6	0	0	0	112	W313 D319	W313-D317 WeakPolarHBondContact O-CB 3.41Å; W313-D317 PolarHBondContact O-N 3.18Å; D317-D319 PolarHBondContact O-N 3.09Å
318	K	94	Very high	96.2	Very high	136 Å²	136	75 Å²	75	59%	0.591	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	11.7	176.1	-65.8	-172.1	174.5	176.1	0	114.6	H314 I316 N320	H314-K318 VanDerWaalsContact CE1-CD 3.49Å; H314-K318 WeakPolarHBondContact CE1-CD 3.43Å; H314-K318 PolarHBondContact CE1-NZ 2.65Å; H314-K318 VanDerWaalsContact CE1-NZ 3.29Å; H314-K318 WeakPolarHBondContact NE2-CE 3.4Å; H314-K318 PolarHBondContact NE2-NZ 2.83Å; H314-K318 WeakPolarHBondContact O-CB 3.32Å; H314-K318 WeakPolarHBondContact O-CG 3.46Å; H314-K318 PolarHBondContact O-N 2.99Å; H314-K318 VanDerWaalsContact O-N 3.09Å; I316-K318 VanDerWaalsContact C-N 3.33Å; I316-K318 PolarHBondContact O-N 3.4Å; K318-N320 PolarHBondContact O-N 3.29Å; K318-N320 VanDerWaalsContact O-N 3.09Å
319	D	92.5	Very high	96.3	Very high	112 Å²	112	79.2 Å²	79.2	60%	0.599	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	29.1	-176.4	-155.7	37.3	0	0	0	114	D315 I316 D317 A321 K325	D315-D319 PolarHBondContact O-N 3.49Å; I316-D319 PolarHBondContact O-N 3.42Å; I316-D319 VanDerWaalsContact O-N 3.09Å; D317-D319 PolarHBondContact O-N 3.09Å; D319-A321 VanDerWaalsContact C-N 3.32Å; D319-K325 IonicContact OD1-NZ 2.77Å; D319-K325 PolarHBondContact OD1-NZ 2.97Å; D319-K325 IonicContact OD2-NZ 3.43Å
320	N	95.7	Very high	96.3	Very high	102 Å²	102	75.8 Å²	75.8	55%	0.545	36%	0.36	S	S	.	.			trans	-92.6	14.4	176.9	-168.8	35.2	0	0	0	112.7	D315 K318	D315-N320 HydrophobicContact CB-CB 4.39Å; D315-N320 CarbonylContact O-C 3.57Å; D315-N320 WeakPolarHBondContact O-CA 3.47Å; D315-N320 PolarHBondContact O-N 3.45Å; K318-N320 PolarHBondContact O-N 3.29Å; K318-N320 VanDerWaalsContact O-N 3.09Å
321	A	95.6	Very high	96.4	Very high	15 Å²	15	75.2 Å²	75.2	12%	0.124	36%	0.357	C	S	.	.			trans	-105.3	78.6	-176.8	0	0	0	0	0	111.9	R311 D315 I316 D319 Y323 V324	R311-A321 HydrophobicContact CB-CB 3.99Å; D315-A321 PolarHBondContact O-N 3.09Å; I316-A321 HydrophobicContact CG1-CB 3.83Å; D319-A321 VanDerWaalsContact C-N 3.32Å; A321-Y323 PolarHBondContact O-N 3.21Å; A321-V324 HydrophobicContact CB-CB 4.31Å; A321-V324 HydrophobicContact CB-CG2 3.55Å; A321-V324 PolarHBondContact O-N 3.47Å
322	K	96.1	Very high	96.4	Very high	171 Å²	171	78.8 Å²	78.8	74%	0.743	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.6	-169.3	-62.5	179.4	-176.7	175.3	0	116
323	Y	97.9	Very high	96.4	Very high	81 Å²	81	79.2 Å²	79.2	32%	0.318	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-23.8	-170.3	-59.5	-63.5	0	0	0	114	M300 V301 A321 K325 K326 G327	M300-Y323 HydrophobicContact CE-CD1 3.74Å; M300-Y323 HydrophobicContact CE-CE1 3.23Å; M300-Y323 WeakPolarHBondContact O-CB 3.39Å; V301-Y323 WeakPolarHBondContact O-CB 3.33Å; V301-Y323 WeakPolarHBondContact O-CD2 3.47Å; A321-Y323 PolarHBondContact O-N 3.21Å; Y323-K325 PolarHBondContact O-N 2.91Å; Y323-K326 PolarHBondContact O-N 3.12Å; Y323-G327 PolarHBondContact O-N 2.92Å
324	V	97.6	Very high	96.6	Very high	18 Å²	18	76.7 Å²	76.7	11%	0.109	37%	0.371	C	S	.	.	H	α-helix	trans	-54.7	-57.7	-169	176.5	0	0	0	0	111.6	R311 I316 A321 K326 G327 T328 L358 E359	R311-V324 HydrophobicContact CB-CG2 4.48Å; R311-V324 HydrophobicContact CG-CG2 3.78Å; I316-V324 HydrophobicContact CG1-CG2 4.26Å; A321-V324 HydrophobicContact CB-CB 4.31Å; A321-V324 HydrophobicContact CB-CG2 3.55Å; A321-V324 PolarHBondContact O-N 3.47Å; V324-K326 VanDerWaalsContact C-N 3.3Å; V324-K326 PolarHBondContact O-N 3.19Å; V324-G327 PolarHBondContact O-N 3.17Å; V324-T328 WeakPolarHBondContact O-CB 3.36Å; V324-T328 PolarHBondContact O-N 3.17Å; V324-T328 PolarHBondContact O-OG1 3Å; V324-L358 HydrophobicContact CG1-CD2 4.02Å; V324-E359 WeakPolarHBondContact CG2-OE1 3.4Å
325	K	97.1	Very high	96.8	Very high	144 Å²	144	71.7 Å²	71.7	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-57.6	-39.7	-177.2	-68	174.1	177.8	158.5	0	112.9	D319 Y323 K329	D319-K325 IonicContact OD1-NZ 2.77Å; D319-K325 PolarHBondContact OD1-NZ 2.97Å; D319-K325 IonicContact OD2-NZ 3.43Å; Y323-K325 PolarHBondContact O-N 2.91Å; K325-K329 WeakPolarHBondContact O-CB 3.2Å; K325-K329 PolarHBondContact O-N 3.46Å
326	K	98	Very high	96.9	Very high	172 Å²	172	73.8 Å²	73.8	75%	0.748	36%	0.359	S	S	*	.	H	α-helix	trans	-75.4	-40	179.6	-70.5	-175.8	-179	177.9	0	112	Y323 V324 H330	Y323-K326 PolarHBondContact O-N 3.12Å; V324-K326 VanDerWaalsContact C-N 3.3Å; V324-K326 PolarHBondContact O-N 3.19Å; K326-H330 PolarHBondContact O-N 2.91Å
327	G	98.3	Very high	97.1	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-63.7	-52.6	176.3	0	0	0	0	0	111.6	Y323 V324 K329 H330 F331	Y323-G327 PolarHBondContact O-N 2.92Å; V324-G327 PolarHBondContact O-N 3.17Å; G327-K329 VanDerWaalsContact C-N 3.34Å; G327-K329 PolarHBondContact O-N 3.2Å; G327-H330 WeakPolarHBondContact O-CB 3.41Å; G327-H330 PolarHBondContact O-N 2.94Å; G327-H330 VanDerWaalsContact O-N 3.07Å; G327-F331 WeakPolarHBondContact O-CD2 3.43Å; G327-F331 PolarHBondContact O-N 3.16Å
328	T	98.5	Very high	97.5	Very high	26 Å²	26	68.2 Å²	68.2	16%	0.16	33%	0.326	C	S	.	.	H	α-helix	trans	-54.6	-48.5	177.8	-57.7	0	0	0	0	111.7	V324 H330 F331 E332	V324-T328 WeakPolarHBondContact O-CB 3.36Å; V324-T328 PolarHBondContact O-N 3.17Å; V324-T328 PolarHBondContact O-OG1 3Å; T328-H330 VanDerWaalsContact C-N 3.27Å; T328-H330 PolarHBondContact O-N 3.05Å; T328-F331 PolarHBondContact O-N 3.49Å; T328-E332 HydrophobicContact CG2-CG 4.2Å; T328-E332 WeakPolarHBondContact CG2-OE1 3.21Å; T328-E332 WeakPolarHBondContact O-CB 3.44Å; T328-E332 WeakPolarHBondContact O-CG 3.41Å; T328-E332 PolarHBondContact O-N 2.9Å
329	K	98.6	Very high	97.7	Very high	153 Å²	153	61.8 Å²	61.8	67%	0.665	30%	0.298	S	S	*	.	H	α-helix	trans	-59.4	-36.2	178.8	-174.7	176.9	-178.5	177.2	0	113.1	K325 G327 A333	K325-K329 WeakPolarHBondContact O-CB 3.2Å; K325-K329 PolarHBondContact O-N 3.46Å; G327-K329 VanDerWaalsContact C-N 3.34Å; G327-K329 PolarHBondContact O-N 3.2Å; K329-A333 PolarHBondContact O-N 2.84Å
330	H	98.8	Very high	98	Very high	23 Å²	23	61 Å²	61	11%	0.106	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-51.7	176.5	179.8	72	0	0	0	110.9	D194 G265 K326 G327 T328 E332 A333 L334	D194-H330 IonicContact OD2-CE1 3.54Å; D194-H330 PolarHBondContact OD2-CE1 2.92Å; D194-H330 IonicContact OD2-ND1 3.79Å; G265-H330 PolarHBondContact O-NE2 2.88Å; K326-H330 PolarHBondContact O-N 2.91Å; G327-H330 WeakPolarHBondContact O-CB 3.41Å; G327-H330 PolarHBondContact O-N 2.94Å; G327-H330 VanDerWaalsContact O-N 3.07Å; T328-H330 VanDerWaalsContact C-N 3.27Å; T328-H330 PolarHBondContact O-N 3.05Å; H330-E332 PolarHBondContact O-N 3.15Å; H330-A333 WeakPolarHBondContact O-CB 3.5Å; H330-A333 PolarHBondContact O-N 3.18Å; H330-L334 PolarHBondContact O-N 3.11Å
331	F	98.8	Very high	98	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-69.3	-32.9	-179.2	-68.7	-68.6	0	0	0	112.8	L268 G299 G327 T328 A333 L334 A335 E359 M360 C362 C363	L268-F331 HydrophobicContact CD2-CD1 3.86Å; L268-F331 HydrophobicContact CD2-CE1 3.93Å; G299-F331 WeakPolarHBondContact O-CE2 3.32Å; G327-F331 WeakPolarHBondContact O-CD2 3.43Å; G327-F331 PolarHBondContact O-N 3.16Å; T328-F331 PolarHBondContact O-N 3.49Å; F331-A333 VanDerWaalsContact C-N 3.31Å; F331-A333 PolarHBondContact O-N 2.86Å; F331-L334 HydrophobicContact CD1-CD1 4.36Å; F331-L334 PolarHBondContact O-N 3.28Å; F331-A335 WeakPolarHBondContact O-CB 3.25Å; F331-A335 PolarHBondContact O-N 2.92Å; F331-E359 WeakPolarHBondContact CB-O 3.16Å; F331-E359 HydrophobicContact CD2-CB 4.16Å; F331-E359 HydrophobicContact CE2-CB 4.47Å; F331-M360 HydrophobicContact CD1-CB 4.47Å; F331-M360 HydrophobicContact CD1-CG 3.76Å; F331-M360 HydrophobicContact CD2-CB 4.47Å; F331-M360 HydrophobicContact CD2-CG 3.6Å; F331-M360 HydrophobicContact CE1-CG 3.64Å; F331-M360 HydrophobicContact CE1-SD 3.95Å; F331-M360 HydrophobicContact CE2-CG 3.47Å; F331-M360 VanDerWaalsContact CE2-CG 3.47Å; F331-M360 HydrophobicContact CE2-SD 4.29Å; F331-M360 HydrophobicContact CG-CB 4.35Å; F331-M360 HydrophobicContact CG-CG 3.75Å; F331-M360 HydrophobicContact CZ-CG 3.49Å; F331-M360 VanDerWaalsContact CZ-CG 3.49Å; F331-M360 HydrophobicContact CZ-SD 3.79Å; F331-C362 PolarHBondContact O-SG 2.93Å; F331-C363 PolarHBondContact O-SG 2.82Å; F331-C363 VanDerWaalsContact O-SG 3.41Å
332	E	98.6	Very high	98.1	Very high	89 Å²	89	56.3 Å²	56.3	42%	0.416	27%	0.271	S	S	.	.	H	α-helix	trans	-60.8	-40.3	172.6	-77.2	175.8	173.2	0	0	111.7	T328 H330 A335 N336 C362	T328-E332 HydrophobicContact CG2-CG 4.2Å; T328-E332 WeakPolarHBondContact CG2-OE1 3.21Å; T328-E332 WeakPolarHBondContact O-CB 3.44Å; T328-E332 WeakPolarHBondContact O-CG 3.41Å; T328-E332 PolarHBondContact O-N 2.9Å; H330-E332 PolarHBondContact O-N 3.15Å; E332-A335 PolarHBondContact O-N 3.27Å; E332-N336 WeakPolarHBondContact O-CB 3.33Å; E332-N336 PolarHBondContact O-N 2.8Å; E332-N336 PolarHBondContact O-ND2 2.95Å; E332-C362 WeakPolarHBondContact CA-SG 3.26Å; E332-C362 HydrophobicContact CG-CB 3.98Å; E332-C362 PolarHBondContact N-SG 3.47Å
333	A	98.8	Very high	98.2	Very high	53 Å²	53	48.1 Å²	48.1	44%	0.438	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-41.6	175.5	0	0	0	0	0	111.7	K329 H330 F331 R337	K329-A333 PolarHBondContact O-N 2.84Å; H330-A333 WeakPolarHBondContact O-CB 3.5Å; H330-A333 PolarHBondContact O-N 3.18Å; F331-A333 VanDerWaalsContact C-N 3.31Å; F331-A333 PolarHBondContact O-N 2.86Å; A333-R337 WeakPolarHBondContact O-CG 3.29Å; A333-R337 PolarHBondContact O-N 2.86Å; A333-R337 VanDerWaalsContact O-N 3.1Å
334	L	98.8	Very high	98.3	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-41.7	176.2	-62.1	-174.8	0	0	0	112.3	L268 H330 F331 N336 R337 A338	L268-L334 HydrophobicContact CB-CD1 4.11Å; L268-L334 HydrophobicContact CD2-CD1 4.06Å; L268-L334 HydrophobicContact CG-CD1 3.96Å; H330-L334 PolarHBondContact O-N 3.11Å; F331-L334 HydrophobicContact CD1-CD1 4.36Å; F331-L334 PolarHBondContact O-N 3.28Å; L334-N336 PolarHBondContact O-N 2.8Å; L334-R337 PolarHBondContact O-N 3.13Å; L334-A338 WeakPolarHBondContact O-CB 3.24Å; L334-A338 PolarHBondContact O-N 2.88Å
335	A	98.7	Very high	98.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-47.1	177.1	0	0	0	0	0	111.4	F331 E332 A338 A339 C362 C363 L366	F331-A335 WeakPolarHBondContact O-CB 3.25Å; F331-A335 PolarHBondContact O-N 2.92Å; E332-A335 PolarHBondContact O-N 3.27Å; A335-A338 PolarHBondContact O-N 2.67Å; A335-A339 VanDerWaalsContact O-CB 3.23Å; A335-A339 WeakPolarHBondContact O-CB 3.47Å; A335-A339 PolarHBondContact O-N 3.4Å; A335-C362 HydrophobicContact CB-CB 4.13Å; A335-C363 HydrophobicContact CB-CB 4.36Å; A335-L366 HydrophobicContact CB-CD1 3.94Å
336	N	98.6	Very high	98.4	Very high	76 Å²	76	36.6 Å²	36.6	41%	0.406	19%	0.186	S	C	.	.	H	α-helix	trans	-64.9	-39.6	177.5	-78	-64.9	0	0	0	112.5	E332 L334 T340	E332-N336 WeakPolarHBondContact O-CB 3.33Å; E332-N336 PolarHBondContact O-N 2.8Å; E332-N336 PolarHBondContact O-ND2 2.95Å; L334-N336 PolarHBondContact O-N 2.8Å; N336-T340 VanDerWaalsContact O-CB 3.28Å; N336-T340 WeakPolarHBondContact O-CB 3.29Å; N336-T340 PolarHBondContact O-N 2.67Å; N336-T340 PolarHBondContact O-OG1 2.84Å
337	R	98.5	Very high	98.5	Very high	58 Å²	58	28.4 Å²	28.4	22%	0.219	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-50.7	174.6	-76.7	171.4	59.9	-155.9	-6	111.6	V272 E276 A333 L334 T340 T341	V272-R337 HydrophobicContact CG1-CB 4.01Å; E276-R337 IonicContact OE2-CZ 3.72Å; E276-R337 IonicContact OE2-NE 3.9Å; E276-R337 PolarHBondContact OE2-NE 2.85Å; E276-R337 IonicContact OE2-NH2 3.62Å; E276-R337 PolarHBondContact OE2-NH2 3.45Å; A333-R337 WeakPolarHBondContact O-CG 3.29Å; A333-R337 PolarHBondContact O-N 2.86Å; A333-R337 VanDerWaalsContact O-N 3.1Å; L334-R337 PolarHBondContact O-N 3.13Å; R337-T340 PolarHBondContact O-N 3.48Å; R337-T341 WeakPolarHBondContact O-CB 3.41Å; R337-T341 PolarHBondContact O-N 2.92Å; R337-T341 VanDerWaalsContact O-N 3.07Å; R337-T341 PolarHBondContact O-OG1 3.36Å
338	A	98.6	Very high	98.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-45	178	0	0	0	0	0	111.5	V272 L334 A335 T340 T341 G342 H343 I345 T367	V272-A338 HydrophobicContact CG1-CB 4.42Å; V272-A338 HydrophobicContact CG2-CB 4.37Å; L334-A338 WeakPolarHBondContact O-CB 3.24Å; L334-A338 PolarHBondContact O-N 2.88Å; A335-A338 PolarHBondContact O-N 2.67Å; A338-T340 PolarHBondContact O-N 2.56Å; A338-T341 CarbonylContact O-C 3.55Å; A338-T341 PolarHBondContact O-N 2.64Å; A338-G342 PolarHBondContact O-N 2.9Å; A338-H343 HydrophobicContact CB-CB 4.37Å; A338-H343 PolarHBondContact O-N 3.34Å; A338-I345 HydrophobicContact CB-CD1 3.63Å; A338-I345 HydrophobicContact CB-CG1 4.05Å; A338-T367 HydrophobicContact CB-CG2 4.08Å
339	A	98.3	Very high	98.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-42.6	179.3	0	0	0	0	0	112.7	A335 T341 G342 T367 V424 K447 C449	A335-A339 VanDerWaalsContact O-CB 3.23Å; A335-A339 WeakPolarHBondContact O-CB 3.47Å; A335-A339 PolarHBondContact O-N 3.4Å; A339-T341 VanDerWaalsContact C-N 3.29Å; A339-T341 PolarHBondContact O-N 3.24Å; A339-G342 PolarHBondContact O-N 2.8Å; A339-G342 VanDerWaalsContact O-N 3.13Å; A339-T367 HydrophobicContact CB-CG2 4.11Å; A339-V424 HydrophobicContact CB-CB 4.38Å; A339-V424 HydrophobicContact CB-CG2 3.63Å; A339-K447 WeakPolarHBondContact O-CD 3.28Å; A339-C449 VanDerWaalsContact CA-SG 3.57Å; A339-C449 PolarHBondContact O-SG 2.61Å; A339-C449 VanDerWaalsContact O-SG 3.42Å
340	T	97.9	Very high	98.5	Very high	95 Å²	95	20 Å²	20	58%	0.583	11%	0.112	S	C	*	.	H	α-helix	trans	-58.8	-45.7	175.8	-60.8	0	0	0	0	110.4	N336 R337 A338 G342 K447	N336-T340 VanDerWaalsContact O-CB 3.28Å; N336-T340 WeakPolarHBondContact O-CB 3.29Å; N336-T340 PolarHBondContact O-N 2.67Å; N336-T340 PolarHBondContact O-OG1 2.84Å; R337-T340 PolarHBondContact O-N 3.48Å; A338-T340 PolarHBondContact O-N 2.56Å; T340-G342 VanDerWaalsContact C-N 3.27Å; T340-G342 PolarHBondContact O-N 3.23Å; T340-K447 PolarHBondContact O-NZ 2.88Å
341	T	97.1	Very high	98.5	Very high	15 Å²	15	19.9 Å²	19.9	9%	0.092	12%	0.115	C	C	.	.	H	α-helix	trans	-73.4	-15.5	179.4	-50.7	0	0	0	0	113.3	P280 N281 R337 A338 A339 H343	P280-T341 HydrophobicContact CB-CG2 3.69Å; N281-T341 WeakPolarHBondContact CA-O 3.43Å; N281-T341 PolarHBondContact N-O 3.4Å; R337-T341 WeakPolarHBondContact O-CB 3.41Å; R337-T341 PolarHBondContact O-N 2.92Å; R337-T341 VanDerWaalsContact O-N 3.07Å; R337-T341 PolarHBondContact O-OG1 3.36Å; A338-T341 CarbonylContact O-C 3.55Å; A338-T341 PolarHBondContact O-N 2.64Å; A339-T341 VanDerWaalsContact C-N 3.29Å; A339-T341 PolarHBondContact O-N 3.24Å; T341-H343 WeakPolarHBondContact CG2-CE1 3.42Å
342	G	97.1	Very high	98.4	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.031	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	22.7	179.7	0	0	0	0	0	114.8	A338 A339 T340	A338-G342 PolarHBondContact O-N 2.9Å; A339-G342 PolarHBondContact O-N 2.8Å; A339-G342 VanDerWaalsContact O-N 3.13Å; T340-G342 VanDerWaalsContact C-N 3.27Å; T340-G342 PolarHBondContact O-N 3.23Å
343	H	98.8	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150.5	178	-56.7	152.3	0	0	0	111.7	L275 F279 T282 A338 T341 T367 C449	L275-H343 WeakPolarHBondContact CB-CE1 3.3Å; L275-H343 PolarHBondContact O-CE1 3.08Å; F279-H343 PolarHBondContact O-CE1 2.95Å; F279-H343 PolarHBondContact O-NE2 3.18Å; T282-H343 PolarHBondContact O-CD2 3.09Å; A338-H343 HydrophobicContact CB-CB 4.37Å; A338-H343 PolarHBondContact O-N 3.34Å; T341-H343 WeakPolarHBondContact CG2-CE1 3.42Å; H343-T367 WeakPolarHBondContact O-CB 3.33Å; H343-T367 WeakPolarHBondContact O-CG2 3.13Å; H343-C449 WeakPolarHBondContact O-CB 3.42Å
344	V	98.9	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139.8	-180	-173.6	0	0	0	0	109.7	A284 R285 I286 F402 C449 G450	A284-V344 WeakPolarHBondContact O-CB 3.44Å; A284-V344 PolarHBondContact O-N 2.92Å; R285-V344 HydrophobicContact CG-CB 4.18Å; I286-V344 PolarHBondContact N-O 3.03Å; V344-F402 HydrophobicContact CG2-CD1 4.12Å; V344-F402 HydrophobicContact CG2-CE1 4.26Å; V344-C449 VanDerWaalsContact CG2-C 3.42Å; V344-C449 HydrophobicContact CG2-CB 4Å; V344-C449 WeakPolarHBondContact CG2-O 3.25Å; V344-G450 VanDerWaalsContact CG2-CA 3.49Å
345	I	98.9	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	113.1	172	-59	171.3	0	0	0	108.9	L268 V272 I286 A338 I347 C363 P364 T367 G369	L268-I345 HydrophobicContact CD1-CD1 4.35Å; L268-I345 HydrophobicContact CD1-CG2 3.97Å; L268-I345 HydrophobicContact CD2-CG2 4.47Å; V272-I345 HydrophobicContact CG2-CD1 4.01Å; I286-I345 HydrophobicContact CB-CG1 4.35Å; I286-I345 HydrophobicContact CD1-CG1 4.26Å; I286-I345 CarbonylContact O-C 3.52Å; I286-I345 WeakPolarHBondContact O-CA 3.41Å; A338-I345 HydrophobicContact CB-CD1 3.63Å; A338-I345 HydrophobicContact CB-CG1 4.05Å; I345-I347 HydrophobicContact CG2-CG1 4.36Å; I345-C363 HydrophobicContact CB-CB 4Å; I345-C363 HydrophobicContact CD1-CB 3.86Å; I345-C363 HydrophobicContact CG2-CB 3.8Å; I345-P364 VanDerWaalsContact O-CA 3.3Å; I345-P364 WeakPolarHBondContact O-CA 3.39Å; I345-P364 WeakPolarHBondContact O-CB 3.23Å; I345-T367 PolarHBondContact N-OG1 3.35Å; I345-T367 VanDerWaalsContact N-OG1 3.09Å; I345-G369 WeakPolarHBondContact O-CA 3.28Å
346	D	98.9	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142	171	-52.8	-44.7	0	0	0	109.5	R285 I286 M287 M288 Y348 G369 Y370	R285-D346 IonicContact CZ-OD1 3.57Å; R285-D346 IonicContact CZ-OD2 3.73Å; R285-D346 IonicContact NE-OD1 3.28Å; R285-D346 IonicContact NE-OD2 2.88Å; R285-D346 PolarHBondContact NE-OD2 3.45Å; R285-D346 IonicContact NH2-OD1 2.58Å; R285-D346 PolarHBondContact NH2-OD1 3.45Å; R285-D346 IonicContact NH2-OD2 3.08Å; I286-D346 PolarHBondContact O-N 3.05Å; M287-D346 HydrophobicContact CG-CB 4.37Å; M288-D346 PolarHBondContact N-O 3.41Å; D346-Y348 HydrophobicContact CB-CD2 4.45Å; D346-Y348 HydrophobicContact CB-CE2 3.58Å; D346-G369 WeakPolarHBondContact OD1-CA 3.23Å; D346-Y370 CarbonylContact C-O 3.56Å; D346-Y370 VanDerWaalsContact CA-O 3.3Å; D346-Y370 WeakPolarHBondContact CA-O 3.44Å; D346-Y370 PolarHBondContact OD1-N 3.47Å
347	I	98.9	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120	176.4	-58	-179	0	0	0	109.3	I290 I345 L357 M360 P364 Y370 M371 V372	I290-I347 HydrophobicContact CD1-CG2 4.05Å; I345-I347 HydrophobicContact CG2-CG1 4.36Å; I347-L357 HydrophobicContact CG2-CD2 3.76Å; I347-M360 HydrophobicContact CD1-CB 3.56Å; I347-M360 HydrophobicContact CD1-CG 4.44Å; I347-M360 HydrophobicContact CD1-SD 4.29Å; I347-P364 HydrophobicContact CD1-CG 4.25Å; I347-P364 HydrophobicContact CG1-CG 4.5Å; I347-Y370 PolarHBondContact N-O 2.95Å; I347-M371 WeakPolarHBondContact O-CA 3.41Å; I347-V372 PolarHBondContact O-N 3.29Å
348	Y	98.9	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	101.8	175.3	-55.5	-85.4	0	0	0	108.5	M287 M288 F289 I290 D346 V372 F382 F386 V389	M287-Y348 HydrophobicContact CB-CE2 3.97Å; M287-Y348 HydrophobicContact CG-CE2 4.16Å; M288-Y348 PolarHBondContact O-N 3.13Å; F289-Y348 WeakPolarHBondContact CA-O 3.33Å; F289-Y348 AromaticContact CD1-CD2 3.75Å; F289-Y348 HydrophobicContact CD1-CD2 3.75Å; F289-Y348 AromaticContact CD1-CG 3.85Å; F289-Y348 HydrophobicContact CD1-CG 3.85Å; F289-Y348 HydrophobicContact CE1-CD1 4.47Å; F289-Y348 AromaticContact CE1-CD2 3.42Å; F289-Y348 HydrophobicContact CE1-CD2 3.42Å; F289-Y348 VanDerWaalsContact CE1-CD2 3.42Å; F289-Y348 HydrophobicContact CE1-CE2 4.02Å; F289-Y348 AromaticContact CE1-CG 3.71Å; F289-Y348 HydrophobicContact CE1-CG 3.71Å; F289-Y348 HydrophobicContact CE2-CD2 4.47Å; F289-Y348 HydrophobicContact CG-CD2 4.41Å; F289-Y348 AromaticContact CZ-CD2 3.83Å; F289-Y348 HydrophobicContact CZ-CD2 3.83Å; F289-Y348 HydrophobicContact CZ-CE2 4.07Å; I290-Y348 PolarHBondContact N-O 2.95Å; D346-Y348 HydrophobicContact CB-CD2 4.45Å; D346-Y348 HydrophobicContact CB-CE2 3.58Å; Y348-V372 HydrophobicContact CD1-CB 3.77Å; Y348-V372 HydrophobicContact CD1-CG1 4.44Å; Y348-V372 HydrophobicContact CD1-CG2 3.69Å; Y348-V372 HydrophobicContact CE1-CB 4.38Å; Y348-V372 HydrophobicContact CE1-CG2 3.79Å; Y348-F382 HydrophobicContact CD1-CE2 4.1Å; Y348-F382 HydrophobicContact CG-CE2 4.34Å; Y348-F386 HydrophobicContact CD1-CD2 4.06Å; Y348-F386 AromaticContact CE1-CD2 3.61Å; Y348-F386 HydrophobicContact CE1-CD2 3.61Å; Y348-F386 HydrophobicContact CE1-CE2 4.11Å; Y348-F386 HydrophobicContact CE2-CD2 4.36Å; Y348-F386 HydrophobicContact CE2-CE2 4.04Å; Y348-F386 AromaticContact CZ-CD2 3.78Å; Y348-F386 AromaticContact CZ-CE2 3.79Å; Y348-V389 HydrophobicContact CE1-CG2 4.24Å
349	A	98.7	Very high	98.4	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.025	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.5	-175.6	0	0	0	0	0	110.6	I290 T355 L357 V372 M373 G374	I290-A349 HydrophobicContact CD1-CB 4.01Å; I290-A349 HydrophobicContact CG1-CB 3.76Å; I290-A349 WeakPolarHBondContact O-CA 3.08Å; A349-T355 HydrophobicContact CB-CG2 3.98Å; A349-T355 VanDerWaalsContact CB-OG1 3.31Å; A349-T355 WeakPolarHBondContact CB-OG1 3.44Å; A349-L357 HydrophobicContact CB-CD1 4.37Å; A349-L357 HydrophobicContact CB-CD2 3.9Å; A349-L357 HydrophobicContact CB-CG 4.34Å; A349-V372 PolarHBondContact N-O 3.36Å; A349-M373 CarbonylContact O-C 3.57Å; A349-M373 VanDerWaalsContact O-CA 3.26Å; A349-M373 WeakPolarHBondContact O-CA 3.47Å; A349-G374 PolarHBondContact O-N 3.49Å
350	C	98.5	Very high	98.4	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	105.9	176	-66.9	0	0	0	0	111.1	I290 G291 G374 S376 F377	I290-C350 PolarHBondContact O-N 2.98Å; G291-C350 VanDerWaalsContact CA-O 3.3Å; G291-C350 WeakPolarHBondContact CA-O 3.41Å; C350-G374 CarbonylContact C-O 3.59Å; C350-G374 VanDerWaalsContact CA-O 3.23Å; C350-G374 WeakPolarHBondContact CA-O 3.42Å; C350-S376 VanDerWaalsContact CB-C 3.48Å; C350-F377 HydrophobicContact CB-CB 4.48Å; C350-F377 HydrophobicContact CB-CD1 3.65Å; C350-F377 HydrophobicContact CB-CD2 3.78Å; C350-F377 HydrophobicContact CB-CE1 3.68Å; C350-F377 HydrophobicContact CB-CE2 3.79Å; C350-F377 HydrophobicContact CB-CG 3.71Å; C350-F377 HydrophobicContact CB-CZ 3.75Å; C350-F377 VanDerWaalsContact SG-CD1 3.58Å
351	A	97.8	Very high	98.4	Very high	20 Å²	20	18.1 Å²	18.1	17%	0.165	10%	0.099	C	C	.	.			trans	-159.3	155.7	178.7	0	0	0	0	0	110.6	D353 T355 G374 D375	A351-D353 PolarHBondContact O-N 2.85Å; A351-T355 HydrophobicContact CB-CG2 3.76Å; A351-G374 PolarHBondContact N-O 3.24Å; A351-D375 CarbonylContact C-O 3.56Å; A351-D375 VanDerWaalsContact CA-O 3.29Å; A351-D375 WeakPolarHBondContact CA-O 3.14Å; A351-D375 PolarHBondContact N-O 3.49Å
352	L	97.6	Very high	98.5	Very high	163 Å²	163	18 Å²	18	85%	0.853	10%	0.098	S	C	*	.	S	Bend	trans	-69.1	-17.3	177.6	-62.4	177.8	0	0	0	114.2	D375	L352-D375 HydrophobicContact CD2-CB 4.19Å; L352-D375 PolarHBondContact N-O 2.99Å
353	D	97.9	Very high	98.6	Very high	96 Å²	96	17.9 Å²	17.9	51%	0.513	10%	0.097	S	C	.	.	S	Bend	trans	-129.5	176.3	178.5	-156.7	-19.5	0	0	0	109	I310 A351	I310-D353 HydrophobicContact CD1-CB 4.28Å; A351-D353 PolarHBondContact O-N 2.85Å
354	Q	98.5	Very high	98.6	Very high	24 Å²	24	17.9 Å²	17.9	11%	0.112	10%	0.097	C	C	.	.			trans	-60.6	146.6	-176.9	-62.3	-176.4	87.8	0	0	112.7	P293 I310 R311 S596 P597 D598	P293-Q354 WeakPolarHBondContact CD-O 3.18Å; I310-Q354 HydrophobicContact CD1-CB 4.29Å; I310-Q354 WeakPolarHBondContact CD1-O 3.42Å; I310-Q354 HydrophobicContact CG2-CB 3.93Å; R311-Q354 PolarHBondContact O-NE2 2.89Å; Q354-S596 PolarHBondContact OE1-OG 2.95Å; Q354-P597 VanDerWaalsContact OE1-CD 3.23Å; Q354-D598 HydrophobicContact CB-CB 4.47Å; Q354-D598 HydrophobicContact CG-CB 4.3Å
355	T	98.6	Very high	98.5	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.037	11%	0.106	C	C	.	.			trans	-114.8	-7.1	-175.1	63.2	0	0	0	0	113.4	P293 A349 A351 M360 D598	P293-T355 WeakPolarHBondContact CA-O 3.38Å; A349-T355 HydrophobicContact CB-CG2 3.98Å; A349-T355 VanDerWaalsContact CB-OG1 3.31Å; A349-T355 WeakPolarHBondContact CB-OG1 3.44Å; A351-T355 HydrophobicContact CB-CG2 3.76Å; T355-M360 VanDerWaalsContact O-CE 3.28Å; T355-M360 WeakPolarHBondContact O-CE 3.48Å; T355-D598 PolarHBondContact N-OD2 3.22Å
356	G	98.4	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	93.9	27.2	-178	0	0	0	0	0	114	L358 E359 M360 D598	G356-L358 PolarHBondContact O-N 3.33Å; G356-E359 WeakPolarHBondContact CA-OE2 3.42Å; G356-E359 PolarHBondContact O-N 3.18Å; G356-E359 VanDerWaalsContact O-N 3.16Å; G356-M360 VanDerWaalsContact C-CE 3.41Å; G356-M360 WeakPolarHBondContact O-CE 3.22Å; G356-M360 WeakPolarHBondContact O-CG 3.33Å; G356-M360 PolarHBondContact O-N 3.13Å; G356-M360 VanDerWaalsContact O-N 3.08Å; G356-D598 PolarHBondContact N-OD2 3.45Å
357	L	98.8	Very high	98.5	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-57.8	-33.6	175.3	-65.2	-179.7	0	0	0	111.7	I347 A349 E359 M360 K361 M371 M373 D598	I347-L357 HydrophobicContact CG2-CD2 3.76Å; A349-L357 HydrophobicContact CB-CD1 4.37Å; A349-L357 HydrophobicContact CB-CD2 3.9Å; A349-L357 HydrophobicContact CB-CG 4.34Å; L357-E359 VanDerWaalsContact C-N 3.32Å; L357-E359 PolarHBondContact O-N 3.47Å; L357-M360 PolarHBondContact O-N 3.5Å; L357-K361 WeakPolarHBondContact O-CA 3.3Å; L357-K361 VanDerWaalsContact O-CB 3.28Å; L357-K361 WeakPolarHBondContact O-CB 3.26Å; L357-K361 PolarHBondContact O-N 2.89Å; L357-M371 HydrophobicContact CB-SD 4.2Å; L357-M371 HydrophobicContact CD1-CG 4.27Å; L357-M371 HydrophobicContact CD1-SD 4.06Å; L357-M371 HydrophobicContact CD2-CG 4.07Å; L357-M371 HydrophobicContact CD2-SD 4.22Å; L357-M371 HydrophobicContact CG-SD 4.4Å; L357-M373 HydrophobicContact CD1-CB 3.96Å; L357-D598 HydrophobicContact CB-CB 3.97Å; L357-D598 HydrophobicContact CD1-CB 4.34Å; L357-D598 HydrophobicContact CG-CB 4.36Å; L357-D598 PolarHBondContact N-OD1 3.44Å; L357-D598 PolarHBondContact N-OD2 2.81Å; L357-D598 VanDerWaalsContact N-OD2 3.08Å
358	L	98.6	Very high	98.5	Very high	14 Å²	14	21.8 Å²	21.8	7%	0.073	12%	0.117	C	C	.	.	H	α-helix	trans	-54.3	-48.4	174	174.7	70.5	0	0	0	112.2	W313 I316 V324 G356 K361 P597 D598 S601	W313-L358 HydrophobicContact CH2-CD1 4.26Å; I316-L358 HydrophobicContact CD1-CD2 3.51Å; V324-L358 HydrophobicContact CG1-CD2 4.02Å; G356-L358 PolarHBondContact O-N 3.33Å; L358-K361 WeakPolarHBondContact O-CD 3.46Å; L358-K361 VanDerWaalsContact O-CG 3.3Å; L358-K361 WeakPolarHBondContact O-CG 3.42Å; L358-P597 HydrophobicContact CB-CB 4.19Å; L358-P597 HydrophobicContact CD2-CB 3.83Å; L358-P597 HydrophobicContact CG-CB 4.4Å; L358-D598 PolarHBondContact N-OD1 3.41Å; L358-S601 WeakPolarHBondContact CA-OG 3.43Å; L358-S601 WeakPolarHBondContact CD1-OG 3.44Å
359	E	98.7	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-73.7	-33.3	-177.5	-65.2	81.7	175.6	0	0	111.3	V301 R311 V324 F331 G356 L357	V301-E359 HydrophobicContact CG2-CB 4.47Å; V301-E359 HydrophobicContact CG2-CG 4.32Å; R311-E359 IonicContact CZ-OE1 3.91Å; R311-E359 IonicContact CZ-OE2 2.78Å; R311-E359 IonicContact NE-OE1 3.22Å; R311-E359 PolarHBondContact NE-OE1 3.28Å; R311-E359 IonicContact NE-OE2 3.48Å; R311-E359 IonicContact NH2-OE1 2.77Å; R311-E359 IonicContact NH2-OE2 3Å; R311-E359 PolarHBondContact NH2-OE2 3.02Å; V324-E359 WeakPolarHBondContact CG2-OE1 3.4Å; F331-E359 WeakPolarHBondContact CB-O 3.16Å; F331-E359 HydrophobicContact CD2-CB 4.16Å; F331-E359 HydrophobicContact CE2-CB 4.47Å; G356-E359 WeakPolarHBondContact CA-OE2 3.42Å; G356-E359 PolarHBondContact O-N 3.18Å; G356-E359 VanDerWaalsContact O-N 3.16Å; L357-E359 VanDerWaalsContact C-N 3.32Å; L357-E359 PolarHBondContact O-N 3.47Å
360	M	98.8	Very high	98.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-90.7	-10.9	-175.7	-65.3	-177.2	-78	0	0	114.7	I290 F331 I347 T355 G356 L357 C362 C363 P364	I290-M360 HydrophobicContact CD1-CE 3.49Å; I290-M360 VanDerWaalsContact CD1-CE 3.49Å; I290-M360 HydrophobicContact CD1-SD 4.34Å; F331-M360 HydrophobicContact CD1-CB 4.47Å; F331-M360 HydrophobicContact CD1-CG 3.76Å; F331-M360 HydrophobicContact CD2-CB 4.47Å; F331-M360 HydrophobicContact CD2-CG 3.6Å; F331-M360 HydrophobicContact CE1-CG 3.64Å; F331-M360 HydrophobicContact CE1-SD 3.95Å; F331-M360 HydrophobicContact CE2-CG 3.47Å; F331-M360 VanDerWaalsContact CE2-CG 3.47Å; F331-M360 HydrophobicContact CE2-SD 4.29Å; F331-M360 HydrophobicContact CG-CB 4.35Å; F331-M360 HydrophobicContact CG-CG 3.75Å; F331-M360 HydrophobicContact CZ-CG 3.49Å; F331-M360 VanDerWaalsContact CZ-CG 3.49Å; F331-M360 HydrophobicContact CZ-SD 3.79Å; I347-M360 HydrophobicContact CD1-CB 3.56Å; I347-M360 HydrophobicContact CD1-CG 4.44Å; I347-M360 HydrophobicContact CD1-SD 4.29Å; T355-M360 VanDerWaalsContact O-CE 3.28Å; T355-M360 WeakPolarHBondContact O-CE 3.48Å; G356-M360 VanDerWaalsContact C-CE 3.41Å; G356-M360 WeakPolarHBondContact O-CE 3.22Å; G356-M360 WeakPolarHBondContact O-CG 3.33Å; G356-M360 PolarHBondContact O-N 3.13Å; G356-M360 VanDerWaalsContact O-N 3.08Å; L357-M360 PolarHBondContact O-N 3.5Å; M360-C362 PolarHBondContact O-N 3.11Å; M360-C363 WeakPolarHBondContact O-CB 3.46Å; M360-C363 PolarHBondContact O-N 2.79Å; M360-P364 WeakPolarHBondContact O-CD 3.04Å
361	K	98.5	Very high	98.5	Very high	32 Å²	32	22.2 Å²	22.2	14%	0.139	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.5	-170.1	66.5	-172.9	176.1	161.2	0	114.7	L357 L358 C363 P364 N365 M371 E535	L357-K361 WeakPolarHBondContact O-CA 3.3Å; L357-K361 VanDerWaalsContact O-CB 3.28Å; L357-K361 WeakPolarHBondContact O-CB 3.26Å; L357-K361 PolarHBondContact O-N 2.89Å; L358-K361 WeakPolarHBondContact O-CD 3.46Å; L358-K361 VanDerWaalsContact O-CG 3.3Å; L358-K361 WeakPolarHBondContact O-CG 3.42Å; K361-C363 PolarHBondContact O-N 2.83Å; K361-P364 VanDerWaalsContact O-CD 3.28Å; K361-P364 WeakPolarHBondContact O-CD 3.34Å; K361-P364 WeakPolarHBondContact O-CG 3.47Å; K361-N365 WeakPolarHBondContact O-CB 3.32Å; K361-N365 PolarHBondContact O-N 2.87Å; K361-N365 PolarHBondContact O-ND2 3.29Å; K361-N365 PolarHBondContact O-OD1 3.49Å; K361-M371 HydrophobicContact CB-CE 3.73Å; K361-E535 IonicContact NZ-OE1 2.7Å; K361-E535 PolarHBondContact NZ-OE1 2.96Å
362	C	98.3	Very high	98.5	Very high	13 Å²	13	21.5 Å²	21.5	9%	0.088	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-32.7	179.5	56.6	0	0	0	0	112.7	F331 E332 A335 M360 L366	F331-C362 PolarHBondContact O-SG 2.93Å; E332-C362 WeakPolarHBondContact CA-SG 3.26Å; E332-C362 HydrophobicContact CG-CB 3.98Å; E332-C362 PolarHBondContact N-SG 3.47Å; A335-C362 HydrophobicContact CB-CB 4.13Å; M360-C362 PolarHBondContact O-N 3.11Å; C362-L366 HydrophobicContact CB-CD1 4.42Å; C362-L366 VanDerWaalsContact O-CB 3.28Å; C362-L366 WeakPolarHBondContact O-CB 3.36Å; C362-L366 VanDerWaalsContact O-CG 3.3Å; C362-L366 WeakPolarHBondContact O-CG 3.3Å; C362-L366 PolarHBondContact O-N 2.9Å
363	C	98.8	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.7	-59.4	-180	-63.6	0	0	0	0	112.2	F331 A335 I345 M360 K361 T367	F331-C363 PolarHBondContact O-SG 2.82Å; F331-C363 VanDerWaalsContact O-SG 3.41Å; A335-C363 HydrophobicContact CB-CB 4.36Å; I345-C363 HydrophobicContact CB-CB 4Å; I345-C363 HydrophobicContact CD1-CB 3.86Å; I345-C363 HydrophobicContact CG2-CB 3.8Å; M360-C363 WeakPolarHBondContact O-CB 3.46Å; M360-C363 PolarHBondContact O-N 2.79Å; K361-C363 PolarHBondContact O-N 2.83Å; C363-T367 WeakPolarHBondContact O-CB 3.39Å; C363-T367 VanDerWaalsContact O-CG2 3.3Å; C363-T367 WeakPolarHBondContact O-CG2 3.41Å; C363-T367 PolarHBondContact O-N 3.38Å; C363-T367 PolarHBondContact O-OG1 3.03Å
364	P	98.8	Very high	98.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-70.7	-34.2	174.9	28.3	-35.7	0	0	0	112.7	I345 I347 M360 K361 G368 G369 M371	I345-P364 VanDerWaalsContact O-CA 3.3Å; I345-P364 WeakPolarHBondContact O-CA 3.39Å; I345-P364 WeakPolarHBondContact O-CB 3.23Å; I347-P364 HydrophobicContact CD1-CG 4.25Å; I347-P364 HydrophobicContact CG1-CG 4.5Å; M360-P364 WeakPolarHBondContact O-CD 3.04Å; K361-P364 VanDerWaalsContact O-CD 3.28Å; K361-P364 WeakPolarHBondContact O-CD 3.34Å; K361-P364 WeakPolarHBondContact O-CG 3.47Å; P364-G368 CarbonylContact O-C 3.5Å; P364-G368 WeakPolarHBondContact O-CA 3.31Å; P364-G368 PolarHBondContact O-N 3.27Å; P364-G369 VanDerWaalsContact CB-O 3.32Å; P364-G369 WeakPolarHBondContact CB-O 3.33Å; P364-G369 PolarHBondContact O-N 2.96Å; P364-G369 VanDerWaalsContact O-N 3.08Å; P364-M371 HydrophobicContact CG-CB 4.28Å; P364-M371 HydrophobicContact CG-CE 3.63Å
365	N	98.6	Very high	98.3	Very high	35 Å²	35	15.1 Å²	15.1	19%	0.187	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-49.6	-179.6	-70.7	1.2	0	0	0	112.1	K361 P422 H605	K361-N365 WeakPolarHBondContact O-CB 3.32Å; K361-N365 PolarHBondContact O-N 2.87Å; K361-N365 PolarHBondContact O-ND2 3.29Å; K361-N365 PolarHBondContact O-OD1 3.49Å; N365-P422 WeakPolarHBondContact O-CA 3.37Å; N365-P422 WeakPolarHBondContact O-CB 3.4Å; N365-H605 PolarHBondContact OD1-ND1 2.9Å
366	L	98.6	Very high	98.3	Very high	46 Å²	46	16 Å²	16	24%	0.241	9%	0.088	C	C	.	.	H	α-helix	trans	-76.3	-36.9	-176	-65.1	-179.4	0	0	0	112.3	A335 C362 V424	A335-L366 HydrophobicContact CB-CD1 3.94Å; C362-L366 HydrophobicContact CB-CD1 4.42Å; C362-L366 VanDerWaalsContact O-CB 3.28Å; C362-L366 WeakPolarHBondContact O-CB 3.36Å; C362-L366 VanDerWaalsContact O-CG 3.3Å; C362-L366 WeakPolarHBondContact O-CG 3.3Å; C362-L366 PolarHBondContact O-N 2.9Å; L366-V424 HydrophobicContact CB-CG2 3.8Å; L366-V424 HydrophobicContact CD2-CG2 4.26Å; L366-V424 HydrophobicContact CG-CG2 4.48Å; L366-V424 WeakPolarHBondContact O-CG2 3.42Å
367	T	98.8	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-84.5	-13.7	-176.8	67	0	0	0	0	113.2	A338 A339 H343 I345 C363 G369 C449 G450	A338-T367 HydrophobicContact CB-CG2 4.08Å; A339-T367 HydrophobicContact CB-CG2 4.11Å; H343-T367 WeakPolarHBondContact O-CB 3.33Å; H343-T367 WeakPolarHBondContact O-CG2 3.13Å; I345-T367 PolarHBondContact N-OG1 3.35Å; I345-T367 VanDerWaalsContact N-OG1 3.09Å; C363-T367 WeakPolarHBondContact O-CB 3.39Å; C363-T367 VanDerWaalsContact O-CG2 3.3Å; C363-T367 WeakPolarHBondContact O-CG2 3.41Å; C363-T367 PolarHBondContact O-N 3.38Å; C363-T367 PolarHBondContact O-OG1 3.03Å; T367-G369 VanDerWaalsContact C-N 3.28Å; T367-G369 PolarHBondContact OG1-N 3.47Å; T367-C449 CarbonylContact O-C 3.56Å; T367-C449 WeakPolarHBondContact O-CA 3.48Å; T367-C449 VanDerWaalsContact O-CB 3.26Å; T367-C449 WeakPolarHBondContact O-CB 3.44Å; T367-C449 PolarHBondContact O-N 3.11Å; T367-G450 PolarHBondContact O-N 2.92Å
368	G	98.6	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	16.5	-171.1	0	0	0	0	0	113.7	P364 G450 R609	P364-G368 CarbonylContact O-C 3.5Å; P364-G368 WeakPolarHBondContact O-CA 3.31Å; P364-G368 PolarHBondContact O-N 3.27Å; G368-G450 WeakPolarHBondContact CA-O 3.38Å; G368-R609 PolarHBondContact O-NH2 3.46Å
369	G	98.6	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.			trans	-71.9	166	169.7	0	0	0	0	0	112.9	I345 D346 P364 T367 H605 R609	I345-G369 WeakPolarHBondContact O-CA 3.28Å; D346-G369 WeakPolarHBondContact OD1-CA 3.23Å; P364-G369 VanDerWaalsContact CB-O 3.32Å; P364-G369 WeakPolarHBondContact CB-O 3.33Å; P364-G369 PolarHBondContact O-N 2.96Å; P364-G369 VanDerWaalsContact O-N 3.08Å; T367-G369 VanDerWaalsContact C-N 3.28Å; T367-G369 PolarHBondContact OG1-N 3.47Å; G369-H605 PolarHBondContact O-CE1 2.82Å; G369-R609 PolarHBondContact O-NH1 3.06Å
370	Y	98.8	Very high	97.8	Very high	15 Å²	15	24.6 Å²	24.6	6%	0.059	14%	0.141	C	C	.	.			trans	-86.8	146.9	-175.8	-59.2	-48.2	0	0	0	112	R285 D346 I347 V389 F700	R285-Y370 VanDerWaalsContact NH2-CE2 3.28Å; D346-Y370 CarbonylContact C-O 3.56Å; D346-Y370 VanDerWaalsContact CA-O 3.3Å; D346-Y370 WeakPolarHBondContact CA-O 3.44Å; D346-Y370 PolarHBondContact OD1-N 3.47Å; I347-Y370 PolarHBondContact N-O 2.95Å; Y370-V389 HydrophobicContact CD2-CG1 4.12Å; Y370-V389 HydrophobicContact CD2-CG2 3.98Å; Y370-V389 HydrophobicContact CE2-CB 4.47Å; Y370-V389 HydrophobicContact CE2-CG1 3.92Å; Y370-V389 HydrophobicContact CE2-CG2 4.24Å; Y370-F700 AromaticContact CD1-CE1 3.48Å; Y370-F700 HydrophobicContact CD1-CE1 3.48Å; Y370-F700 VanDerWaalsContact CD1-CE1 3.48Å; Y370-F700 AromaticContact CD1-CZ 3.82Å; Y370-F700 HydrophobicContact CD1-CZ 3.82Å; Y370-F700 HydrophobicContact CD2-CE1 4.48Å; Y370-F700 HydrophobicContact CD2-CZ 4Å; Y370-F700 AromaticContact CE1-CE1 3.76Å; Y370-F700 HydrophobicContact CE1-CE1 3.76Å; Y370-F700 HydrophobicContact CE1-CZ 4.22Å; Y370-F700 HydrophobicContact CE2-CZ 4.39Å; Y370-F700 AromaticContact CG-CE1 3.88Å; Y370-F700 HydrophobicContact CG-CE1 3.88Å; Y370-F700 AromaticContact CG-CZ 3.7Å; Y370-F700 HydrophobicContact CG-CZ 3.7Å
371	M	98.8	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.5	167.3	-172.8	-175.2	-68.2	0	0	108.5	I347 L357 K361 P364 Y602 H605 H606	I347-M371 WeakPolarHBondContact O-CA 3.41Å; L357-M371 HydrophobicContact CB-SD 4.2Å; L357-M371 HydrophobicContact CD1-CG 4.27Å; L357-M371 HydrophobicContact CD1-SD 4.06Å; L357-M371 HydrophobicContact CD2-CG 4.07Å; L357-M371 HydrophobicContact CD2-SD 4.22Å; L357-M371 HydrophobicContact CG-SD 4.4Å; K361-M371 HydrophobicContact CB-CE 3.73Å; P364-M371 HydrophobicContact CG-CB 4.28Å; P364-M371 HydrophobicContact CG-CE 3.63Å; M371-Y602 HydrophobicContact CG-CD2 4.21Å; M371-Y602 VanDerWaalsContact O-CE2 3.3Å; M371-Y602 WeakPolarHBondContact O-CE2 3.17Å; M371-Y602 HydrophobicContact SD-CD2 4.37Å; M371-H605 HydrophobicContact CE-CB 4.38Å; M371-H605 PolarHBondContact N-NE2 2.86Å; M371-H605 HydrophobicContact SD-CB 4.17Å; M371-H606 PolarHBondContact O-CE1 2.77Å; M371-H606 PolarHBondContact O-NE2 2.98Å
372	V	98.4	Very high	97.5	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.024	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.2	177.3	179.1	0	0	0	0	107.9	I347 Y348 A349 T385	I347-V372 PolarHBondContact O-N 3.29Å; Y348-V372 HydrophobicContact CD1-CB 3.77Å; Y348-V372 HydrophobicContact CD1-CG1 4.44Å; Y348-V372 HydrophobicContact CD1-CG2 3.69Å; Y348-V372 HydrophobicContact CE1-CB 4.38Å; Y348-V372 HydrophobicContact CE1-CG2 3.79Å; A349-V372 PolarHBondContact N-O 3.36Å; V372-T385 HydrophobicContact CG1-CG2 3.88Å; V372-T385 HydrophobicContact CG2-CG2 3.75Å
373	M	97.4	Very high	97.5	Very high	50 Å²	50	27.8 Å²	27.8	25%	0.246	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.9	173.8	77.6	177.4	-74.7	0	0	110.6	A349 L357 E599 Y602	A349-M373 CarbonylContact O-C 3.57Å; A349-M373 VanDerWaalsContact O-CA 3.26Å; A349-M373 WeakPolarHBondContact O-CA 3.47Å; L357-M373 HydrophobicContact CD1-CB 3.96Å; M373-E599 HydrophobicContact CE-CG 3.71Å; M373-E599 HydrophobicContact SD-CG 4.43Å; M373-Y602 HydrophobicContact CB-CD2 3.98Å; M373-Y602 HydrophobicContact CB-CE2 4.16Å; M373-Y602 HydrophobicContact CB-CG 4.37Å; M373-Y602 HydrophobicContact CG-CD1 3.82Å; M373-Y602 HydrophobicContact CG-CD2 3.62Å; M373-Y602 HydrophobicContact CG-CE1 3.88Å; M373-Y602 HydrophobicContact CG-CE2 3.68Å; M373-Y602 HydrophobicContact CG-CG 3.67Å; M373-Y602 WeakPolarHBondContact SD-CB 3.41Å; M373-Y602 HydrophobicContact SD-CD1 3.39Å; M373-Y602 WeakPolarHBondContact SD-CD1 3.47Å; M373-Y602 HydrophobicContact SD-CD2 3.91Å; M373-Y602 HydrophobicContact SD-CE1 4.01Å; M373-Y602 HydrophobicContact SD-CE2 4.44Å; M373-Y602 HydrophobicContact SD-CG 3.32Å
374	G	95.8	Very high	97.3	Very high	12 Å²	12	30.6 Å²	30.6	12%	0.124	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	176.7	174.4	0	0	0	0	0	111.5	A349 C350 A351	A349-G374 PolarHBondContact O-N 3.49Å; C350-G374 CarbonylContact C-O 3.59Å; C350-G374 VanDerWaalsContact CA-O 3.23Å; C350-G374 WeakPolarHBondContact CA-O 3.42Å; A351-G374 PolarHBondContact N-O 3.24Å
375	D	96.3	Very high	97.3	Very high	87 Å²	87	30.7 Å²	30.7	47%	0.465	17%	0.169	S	C	.	.	S	Bend	trans	-83.2	-31.3	-176.6	-61.6	-26	0	0	0	112	A351 L352	A351-D375 CarbonylContact C-O 3.56Å; A351-D375 VanDerWaalsContact CA-O 3.29Å; A351-D375 WeakPolarHBondContact CA-O 3.14Å; A351-D375 PolarHBondContact N-O 3.49Å; L352-D375 HydrophobicContact CD2-CB 4.19Å; L352-D375 PolarHBondContact N-O 2.99Å
376	S	98	Very high	97.3	Very high	26 Å²	26	29 Å²	29	18%	0.182	16%	0.16	C	C	.	.			trans	-159.3	147.7	-174.3	157.2	0	0	0	0	110.4	D143 C350 N378 T379	D143-S376 VanDerWaalsContact OD1-CB 3.25Å; D143-S376 WeakPolarHBondContact OD1-CB 3.31Å; D143-S376 PolarHBondContact OD1-OG 3.26Å; C350-S376 VanDerWaalsContact CB-C 3.48Å; S376-N378 PolarHBondContact O-N 3.29Å; S376-N378 PolarHBondContact OG-N 2.9Å; S376-T379 WeakPolarHBondContact O-CG2 3.44Å; S376-T379 PolarHBondContact O-OG1 2.69Å
377	F	98.3	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-70	-22.9	173.5	-69	-67.8	0	0	0	111.4	M139 D143 L147 F289 I290 C350 T379 F382	M139-F377 HydrophobicContact CE-CD2 4.33Å; M139-F377 HydrophobicContact CE-CE2 3.78Å; M139-F377 HydrophobicContact SD-CD2 3.73Å; M139-F377 HydrophobicContact SD-CE2 3.8Å; D143-F377 HydrophobicContact CB-CD2 4.42Å; D143-F377 PolarHBondContact OD1-N 3.03Å; L147-F377 HydrophobicContact CB-CB 4.15Å; L147-F377 HydrophobicContact CB-CD2 4.38Å; L147-F377 HydrophobicContact CB-CG 4.11Å; L147-F377 HydrophobicContact CD1-CD1 3.98Å; L147-F377 HydrophobicContact CD1-CE1 4.11Å; L147-F377 HydrophobicContact CD1-CG 4.38Å; L147-F377 HydrophobicContact CD2-CD2 4.28Å; L147-F377 HydrophobicContact CD2-CE2 4.17Å; L147-F377 HydrophobicContact CD2-CZ 4.32Å; F289-F377 HydrophobicContact CB-CE1 4.48Å; F289-F377 HydrophobicContact CB-CZ 4.18Å; F289-F377 HydrophobicContact CD1-CE1 4.3Å; I290-F377 WeakPolarHBondContact O-CZ 3.47Å; C350-F377 HydrophobicContact CB-CB 4.48Å; C350-F377 HydrophobicContact CB-CD1 3.65Å; C350-F377 HydrophobicContact CB-CD2 3.78Å; C350-F377 HydrophobicContact CB-CE1 3.68Å; C350-F377 HydrophobicContact CB-CE2 3.79Å; C350-F377 HydrophobicContact CB-CG 3.71Å; C350-F377 HydrophobicContact CB-CZ 3.75Å; C350-F377 VanDerWaalsContact SG-CD1 3.58Å; F377-T379 PolarHBondContact O-N 3.07Å; F377-F382 HydrophobicContact CB-CD1 4.13Å; F377-F382 HydrophobicContact CB-CE1 4.31Å; F377-F382 AromaticContact CD1-CD1 3.76Å; F377-F382 HydrophobicContact CD1-CD1 3.76Å; F377-F382 AromaticContact CD1-CD2 3.83Å; F377-F382 HydrophobicContact CD1-CD2 3.83Å; F377-F382 AromaticContact CD1-CE1 3.56Å; F377-F382 HydrophobicContact CD1-CE1 3.56Å; F377-F382 AromaticContact CD1-CE2 3.65Å; F377-F382 HydrophobicContact CD1-CE2 3.65Å; F377-F382 AromaticContact CD1-CG 3.89Å; F377-F382 HydrophobicContact CD1-CG 3.89Å; F377-F382 AromaticContact CD1-CZ 3.5Å; F377-F382 HydrophobicContact CD1-CZ 3.5Å; F377-F382 VanDerWaalsContact CD1-CZ 3.5Å; F377-F382 HydrophobicContact CE1-CD2 4.19Å; F377-F382 HydrophobicContact CE1-CE1 4.38Å; F377-F382 AromaticContact CE1-CE2 3.77Å; F377-F382 HydrophobicContact CE1-CE2 3.77Å; F377-F382 AromaticContact CE1-CZ 3.87Å; F377-F382 HydrophobicContact CE1-CZ 3.87Å; F377-F382 HydrophobicContact CG-CD1 4.46Å; F377-F382 HydrophobicContact CG-CE1 4.39Å; F377-F382 WeakPolarHBondContact O-CD1 3.35Å
378	N	97.9	Very high	97	Very high	75 Å²	75	33.3 Å²	33.3	40%	0.401	18%	0.178	S	C	.	.	S	Bend	trans	-82.8	43.7	175.7	-162.5	20.8	0	0	0	113.1	A146 S376 K383	A146-N378 HydrophobicContact CB-CB 3.62Å; S376-N378 PolarHBondContact O-N 3.29Å; S376-N378 PolarHBondContact OG-N 2.9Å; N378-K383 PolarHBondContact OD1-NZ 3.09Å
379	T	95.9	Very high	97	Very high	40 Å²	40	33.6 Å²	33.6	25%	0.245	18%	0.18	C	C	.	.	S	Bend	trans	-122.6	148.1	177.2	61.2	0	0	0	0	110.7	S376 F377 L381 F382 K383	S376-T379 WeakPolarHBondContact O-CG2 3.44Å; S376-T379 PolarHBondContact O-OG1 2.69Å; F377-T379 PolarHBondContact O-N 3.07Å; T379-L381 PolarHBondContact O-N 3.32Å; T379-F382 PolarHBondContact O-N 2.97Å; T379-F382 PolarHBondContact OG1-N 3.08Å; T379-K383 WeakPolarHBondContact O-CG 3.4Å; T379-K383 PolarHBondContact O-N 3.39Å; T379-K383 VanDerWaalsContact O-N 3.08Å
380	S	93.1	Very high	97	Very high	80 Å²	80	33.9 Å²	33.9	56%	0.559	18%	0.181	S	C	*	.	H	α-helix	trans	-58.5	-35.6	171.2	53.8	0	0	0	0	111.4	K383 Q384	S380-K383 PolarHBondContact O-N 3.31Å; S380-Q384 WeakPolarHBondContact O-CB 3.2Å; S380-Q384 WeakPolarHBondContact O-CG 3.16Å; S380-Q384 PolarHBondContact O-N 3.31Å
381	L	93.3	Very high	96.9	Very high	45 Å²	45	36 Å²	36	24%	0.236	20%	0.196	C	C	.	.	H	α-helix	trans	-54.1	-53.8	176.2	-173	70.9	0	0	0	111.9	T379 T385 M702	T379-L381 PolarHBondContact O-N 3.32Å; L381-T385 WeakPolarHBondContact O-CB 3.41Å; L381-T385 PolarHBondContact O-N 3.46Å; L381-T385 VanDerWaalsContact O-N 3.12Å; L381-T385 PolarHBondContact O-OG1 2.99Å; L381-M702 HydrophobicContact CD1-CB 4.09Å; L381-M702 HydrophobicContact CD1-CG 4.11Å; L381-M702 WeakPolarHBondContact CD1-O 3.46Å
382	F	97.3	Very high	96.8	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-67.5	-52.1	178.3	170.8	-101.3	0	0	0	111.5	L147 F289 Y348 F377 T379 Q384 T385 F386	L147-F382 HydrophobicContact CD1-CE1 4.19Å; L147-F382 HydrophobicContact CD1-CZ 3.96Å; F289-F382 HydrophobicContact CD1-CZ 4.24Å; F289-F382 HydrophobicContact CE1-CZ 4.19Å; Y348-F382 HydrophobicContact CD1-CE2 4.1Å; Y348-F382 HydrophobicContact CG-CE2 4.34Å; F377-F382 HydrophobicContact CB-CD1 4.13Å; F377-F382 HydrophobicContact CB-CE1 4.31Å; F377-F382 AromaticContact CD1-CD1 3.76Å; F377-F382 HydrophobicContact CD1-CD1 3.76Å; F377-F382 AromaticContact CD1-CD2 3.83Å; F377-F382 HydrophobicContact CD1-CD2 3.83Å; F377-F382 AromaticContact CD1-CE1 3.56Å; F377-F382 HydrophobicContact CD1-CE1 3.56Å; F377-F382 AromaticContact CD1-CE2 3.65Å; F377-F382 HydrophobicContact CD1-CE2 3.65Å; F377-F382 AromaticContact CD1-CG 3.89Å; F377-F382 HydrophobicContact CD1-CG 3.89Å; F377-F382 AromaticContact CD1-CZ 3.5Å; F377-F382 HydrophobicContact CD1-CZ 3.5Å; F377-F382 VanDerWaalsContact CD1-CZ 3.5Å; F377-F382 HydrophobicContact CE1-CD2 4.19Å; F377-F382 HydrophobicContact CE1-CE1 4.38Å; F377-F382 AromaticContact CE1-CE2 3.77Å; F377-F382 HydrophobicContact CE1-CE2 3.77Å; F377-F382 AromaticContact CE1-CZ 3.87Å; F377-F382 HydrophobicContact CE1-CZ 3.87Å; F377-F382 HydrophobicContact CG-CD1 4.46Å; F377-F382 HydrophobicContact CG-CE1 4.39Å; F377-F382 WeakPolarHBondContact O-CD1 3.35Å; T379-F382 PolarHBondContact O-N 2.97Å; T379-F382 PolarHBondContact OG1-N 3.08Å; F382-Q384 VanDerWaalsContact C-N 3.34Å; F382-Q384 PolarHBondContact O-N 2.91Å; F382-T385 PolarHBondContact O-N 2.95Å; F382-T385 VanDerWaalsContact O-N 3.14Å; F382-F386 HydrophobicContact CE1-CB 4.4Å; F382-F386 HydrophobicContact CE2-CB 4.11Å; F382-F386 HydrophobicContact CE2-CG 4.47Å; F382-F386 HydrophobicContact CZ-CB 3.99Å; F382-F386 HydrophobicContact CZ-CD1 4.49Å; F382-F386 HydrophobicContact CZ-CG 4.09Å; F382-F386 WeakPolarHBondContact O-CB 3.41Å; F382-F386 PolarHBondContact O-N 3.25Å
383	K	97.2	Very high	96.6	Very high	65 Å²	65	42.1 Å²	42.1	28%	0.283	22%	0.224	S	C	.	.	H	α-helix	trans	-55.7	-47.5	-174.5	-68.9	178.5	-176	-175.8	0	111.6	E149 N378 T379 S380 Q387	E149-K383 IonicContact OE2-NZ 3.88Å; N378-K383 PolarHBondContact OD1-NZ 3.09Å; T379-K383 WeakPolarHBondContact O-CG 3.4Å; T379-K383 PolarHBondContact O-N 3.39Å; T379-K383 VanDerWaalsContact O-N 3.08Å; S380-K383 PolarHBondContact O-N 3.31Å; K383-Q387 PolarHBondContact O-N 2.69Å; K383-Q387 VanDerWaalsContact O-N 3.09Å
384	Q	95.5	Very high	96.3	Very high	60 Å²	60	48 Å²	48	28%	0.28	25%	0.253	S	S	.	.	H	α-helix	trans	-69.8	-42	177.2	-68.6	-165.1	46.6	0	0	112.8	S380 F382 F386 Q387 R388 M702	S380-Q384 WeakPolarHBondContact O-CB 3.2Å; S380-Q384 WeakPolarHBondContact O-CG 3.16Å; S380-Q384 PolarHBondContact O-N 3.31Å; F382-Q384 VanDerWaalsContact C-N 3.34Å; F382-Q384 PolarHBondContact O-N 2.91Å; Q384-F386 VanDerWaalsContact C-N 3.3Å; Q384-F386 PolarHBondContact O-N 3.42Å; Q384-Q387 PolarHBondContact O-N 3.11Å; Q384-R388 WeakPolarHBondContact O-CG 3.28Å; Q384-R388 PolarHBondContact O-N 2.82Å; Q384-R388 VanDerWaalsContact OE1-NH2 3.09Å; Q384-M702 HydrophobicContact CB-SD 3.7Å; Q384-M702 HydrophobicContact CG-SD 4.17Å
385	T	97.8	Very high	96.2	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-43.5	177.7	-65.1	0	0	0	0	111.1	V372 L381 F382 R388 V389 F700 P701 M702	V372-T385 HydrophobicContact CG1-CG2 3.88Å; V372-T385 HydrophobicContact CG2-CG2 3.75Å; L381-T385 WeakPolarHBondContact O-CB 3.41Å; L381-T385 PolarHBondContact O-N 3.46Å; L381-T385 VanDerWaalsContact O-N 3.12Å; L381-T385 PolarHBondContact O-OG1 2.99Å; F382-T385 PolarHBondContact O-N 2.95Å; F382-T385 VanDerWaalsContact O-N 3.14Å; T385-R388 PolarHBondContact O-N 3.05Å; T385-V389 PolarHBondContact O-N 3.29Å; T385-F700 HydrophobicContact CG2-CD2 4.32Å; T385-F700 HydrophobicContact CG2-CE2 3.85Å; T385-P701 HydrophobicContact CG2-CB 3.68Å; T385-M702 VanDerWaalsContact OG1-CB 3.27Å; T385-M702 WeakPolarHBondContact OG1-CB 3.3Å; T385-M702 PolarHBondContact OG1-N 3.44Å; T385-M702 VanDerWaalsContact OG1-N 3.12Å
386	F	98.3	Very high	96.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-40.2	179.2	-173.5	-119.2	0	0	0	112	Y133 S150 M153 M287 F289 Y348 F382 Q384 R388 V389 F390	Y133-F386 HydrophobicContact CE1-CZ 4.45Å; S150-F386 WeakPolarHBondContact O-CE1 3.44Å; M153-F386 HydrophobicContact CE-CD1 4.31Å; M287-F386 HydrophobicContact SD-CE2 4.43Å; F289-F386 HydrophobicContact CE1-CD2 4.11Å; F289-F386 AromaticContact CE1-CE2 3.64Å; F289-F386 HydrophobicContact CE1-CE2 3.64Å; F289-F386 AromaticContact CE1-CZ 3.87Å; F289-F386 HydrophobicContact CE1-CZ 3.87Å; F289-F386 HydrophobicContact CZ-CD2 4.47Å; F289-F386 HydrophobicContact CZ-CE1 4.49Å; F289-F386 AromaticContact CZ-CE2 3.57Å; F289-F386 HydrophobicContact CZ-CE2 3.57Å; F289-F386 AromaticContact CZ-CZ 3.57Å; F289-F386 HydrophobicContact CZ-CZ 3.57Å; Y348-F386 HydrophobicContact CD1-CD2 4.06Å; Y348-F386 AromaticContact CE1-CD2 3.61Å; Y348-F386 HydrophobicContact CE1-CD2 3.61Å; Y348-F386 HydrophobicContact CE1-CE2 4.11Å; Y348-F386 HydrophobicContact CE2-CD2 4.36Å; Y348-F386 HydrophobicContact CE2-CE2 4.04Å; Y348-F386 AromaticContact CZ-CD2 3.78Å; Y348-F386 AromaticContact CZ-CE2 3.79Å; F382-F386 HydrophobicContact CE1-CB 4.4Å; F382-F386 HydrophobicContact CE2-CB 4.11Å; F382-F386 HydrophobicContact CE2-CG 4.47Å; F382-F386 HydrophobicContact CZ-CB 3.99Å; F382-F386 HydrophobicContact CZ-CD1 4.49Å; F382-F386 HydrophobicContact CZ-CG 4.09Å; F382-F386 WeakPolarHBondContact O-CB 3.41Å; F382-F386 PolarHBondContact O-N 3.25Å; Q384-F386 VanDerWaalsContact C-N 3.3Å; Q384-F386 PolarHBondContact O-N 3.42Å; F386-R388 VanDerWaalsContact C-N 3.3Å; F386-R388 PolarHBondContact O-N 3.39Å; F386-V389 VanDerWaalsContact O-CB 3.27Å; F386-V389 WeakPolarHBondContact O-CB 3.48Å; F386-V389 PolarHBondContact O-N 3.46Å; F386-F390 HydrophobicContact CD2-CE2 4.36Å; F386-F390 HydrophobicContact CE1-CE2 4.07Å; F386-F390 AromaticContact CE2-CE2 3.87Å; F386-F390 HydrophobicContact CE2-CE2 3.87Å; F386-F390 HydrophobicContact CE2-CZ 4.29Å; F386-F390 AromaticContact CZ-CE2 3.72Å; F386-F390 HydrophobicContact CZ-CE2 3.72Å; F386-F390 HydrophobicContact CZ-CZ 4.09Å; F386-F390 WeakPolarHBondContact O-CD2 3.2Å
387	Q	96.3	Very high	96	Very high	103 Å²	103	54.4 Å²	54.4	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-60.1	-39.8	173.5	-174.3	-179.4	-6.7	0	0	112.2	M153 L157 K383 Q384 V389 F390	M153-Q387 HydrophobicContact CE-CB 4.12Å; M153-Q387 HydrophobicContact CE-CG 4.29Å; M153-Q387 HydrophobicContact SD-CB 3.9Å; M153-Q387 HydrophobicContact SD-CG 3.79Å; L157-Q387 HydrophobicContact CD1-CG 4.48Å; K383-Q387 PolarHBondContact O-N 2.69Å; K383-Q387 VanDerWaalsContact O-N 3.09Å; Q384-Q387 PolarHBondContact O-N 3.11Å; Q387-V389 PolarHBondContact O-N 3.45Å; Q387-F390 PolarHBondContact O-N 3.35Å
388	R	96.5	Very high	96	Very high	34 Å²	34	54.7 Å²	54.7	13%	0.128	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-23.6	-179.4	-73.9	176.2	-159.8	-175.7	4.8	114.2	Q384 T385 F386 F390 T391 L696 H697 R699 F700	Q384-R388 WeakPolarHBondContact O-CG 3.28Å; Q384-R388 PolarHBondContact O-N 2.82Å; Q384-R388 VanDerWaalsContact OE1-NH2 3.09Å; T385-R388 PolarHBondContact O-N 3.05Å; F386-R388 VanDerWaalsContact C-N 3.3Å; F386-R388 PolarHBondContact O-N 3.39Å; R388-F390 PolarHBondContact O-N 3.22Å; R388-T391 WeakPolarHBondContact CA-OG1 3.36Å; R388-T391 WeakPolarHBondContact O-CB 3.4Å; R388-T391 PolarHBondContact O-N 2.7Å; R388-T391 VanDerWaalsContact O-N 3.09Å; R388-T391 PolarHBondContact O-OG1 3.3Å; R388-L696 PolarHBondContact NH1-O 2.87Å; R388-L696 PolarHBondContact NH2-O 3.27Å; R388-H697 PolarHBondContact NH1-O 3.01Å; R388-R699 PolarHBondContact NH1-O 3.03Å; R388-F700 HydrophobicContact CB-CD2 4.08Å
389	V	98.1	Very high	96	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-52	-39.7	170.3	171.3	0	0	0	0	110	Y348 Y370 T385 F386 Q387 T391 M400 F700	Y348-V389 HydrophobicContact CE1-CG2 4.24Å; Y370-V389 HydrophobicContact CD2-CG1 4.12Å; Y370-V389 HydrophobicContact CD2-CG2 3.98Å; Y370-V389 HydrophobicContact CE2-CB 4.47Å; Y370-V389 HydrophobicContact CE2-CG1 3.92Å; Y370-V389 HydrophobicContact CE2-CG2 4.24Å; T385-V389 PolarHBondContact O-N 3.29Å; F386-V389 VanDerWaalsContact O-CB 3.27Å; F386-V389 WeakPolarHBondContact O-CB 3.48Å; F386-V389 PolarHBondContact O-N 3.46Å; Q387-V389 PolarHBondContact O-N 3.45Å; V389-T391 VanDerWaalsContact C-N 3.35Å; V389-T391 PolarHBondContact O-N 3.5Å; V389-M400 HydrophobicContact CG1-CE 3.61Å; V389-M400 WeakPolarHBondContact O-CE 3.48Å; V389-F700 HydrophobicContact CG2-CE2 3.79Å; V389-F700 HydrophobicContact CG2-CZ 4.13Å
390	F	98	Very high	96.1	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.022	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	21.1	-176.4	-54.3	-79.7	0	0	0	113.6	F131 S154 L157 L158 M287 F386 Q387 R388 K392 F398 M400	F131-F390 HydrophobicContact CD1-CE1 4.34Å; F131-F390 AromaticContact CE1-CE1 3.95Å; F131-F390 HydrophobicContact CE1-CE1 3.95Å; S154-F390 VanDerWaalsContact CB-CE2 3.45Å; L157-F390 HydrophobicContact CB-CB 4.28Å; L157-F390 HydrophobicContact CD1-CB 3.8Å; L157-F390 HydrophobicContact CD1-CG 4.38Å; L158-F390 HydrophobicContact CD2-CD1 3.99Å; L158-F390 HydrophobicContact CD2-CE1 3.76Å; M287-F390 HydrophobicContact SD-CZ 3.94Å; F386-F390 HydrophobicContact CD2-CE2 4.36Å; F386-F390 HydrophobicContact CE1-CE2 4.07Å; F386-F390 AromaticContact CE2-CE2 3.87Å; F386-F390 HydrophobicContact CE2-CE2 3.87Å; F386-F390 HydrophobicContact CE2-CZ 4.29Å; F386-F390 AromaticContact CZ-CE2 3.72Å; F386-F390 HydrophobicContact CZ-CE2 3.72Å; F386-F390 HydrophobicContact CZ-CZ 4.09Å; F386-F390 WeakPolarHBondContact O-CD2 3.2Å; Q387-F390 PolarHBondContact O-N 3.35Å; R388-F390 PolarHBondContact O-N 3.22Å; F390-K392 PolarHBondContact O-N 2.91Å; F390-F398 HydrophobicContact CB-CD1 4.28Å; F390-F398 HydrophobicContact CB-CE1 3.69Å; F390-F398 HydrophobicContact CB-CZ 4.16Å; F390-F398 HydrophobicContact CD1-CE1 4.19Å; F390-F398 HydrophobicContact CD1-CE2 4.22Å; F390-F398 AromaticContact CD1-CZ 3.83Å; F390-F398 HydrophobicContact CD1-CZ 3.83Å; F390-F398 HydrophobicContact CG-CE1 4.44Å; F390-F398 HydrophobicContact CG-CZ 4.45Å; F390-F398 VanDerWaalsContact O-CD1 3.26Å; F390-F398 WeakPolarHBondContact O-CD1 3.36Å; F390-F398 VanDerWaalsContact O-CE1 3.28Å; F390-F398 WeakPolarHBondContact O-CE1 3.41Å; F390-M400 HydrophobicContact CD1-CE 3.87Å; F390-M400 HydrophobicContact CE1-CE 4.2Å
391	T	97.3	Very high	96.3	Very high	61 Å²	61	48.8 Å²	48.8	37%	0.374	24%	0.244	S	C	.	.			trans	-57.6	132.9	176	-59.3	0	0	0	0	110.4	R388 V389 K399	R388-T391 WeakPolarHBondContact CA-OG1 3.36Å; R388-T391 WeakPolarHBondContact O-CB 3.4Å; R388-T391 PolarHBondContact O-N 2.7Å; R388-T391 VanDerWaalsContact O-N 3.09Å; R388-T391 PolarHBondContact O-OG1 3.3Å; V389-T391 VanDerWaalsContact C-N 3.35Å; V389-T391 PolarHBondContact O-N 3.5Å; T391-K399 HydrophobicContact CG2-CD 4.14Å; T391-K399 PolarHBondContact O-N 3.16Å
392	K	96.4	Very high	96.6	Very high	93 Å²	93	46.7 Å²	46.7	40%	0.404	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-97.7	154.3	179.2	-68.3	172.3	176.9	-177.9	0	111.1	L157 F390 G396 Q397 F398 K399	L157-K392 WeakPolarHBondContact O-CE 3.46Å; L157-K392 PolarHBondContact O-NZ 3.41Å; L157-K392 VanDerWaalsContact O-NZ 3.11Å; F390-K392 PolarHBondContact O-N 2.91Å; K392-G396 WeakPolarHBondContact CD-O 3.19Å; K392-Q397 CarbonylContact C-O 3.39Å; K392-Q397 WeakPolarHBondContact CA-O 3.5Å; K392-F398 HydrophobicContact CD-CE1 4.49Å; K392-F398 HydrophobicContact CG-CD1 3.77Å; K392-F398 HydrophobicContact CG-CE1 4.11Å; K392-K399 WeakPolarHBondContact O-CE 3.39Å
393	D	93.8	Very high	96.6	Very high	39 Å²	39	47.3 Å²	47.3	21%	0.209	24%	0.239	C	C	.	.			trans	-81	-176.3	170.3	67.9	11.7	0	0	0	111.6	H395 G396 Q397 K399	D393-H395 PolarHBondContact O-N 2.99Å; D393-H395 VanDerWaalsContact O-N 3.09Å; D393-H395 VanDerWaalsContact OD1-C 3.31Å; D393-H395 VanDerWaalsContact OD1-CA 3.31Å; D393-H395 WeakPolarHBondContact OD1-CA 3.36Å; D393-H395 WeakPolarHBondContact OD1-CB 3.44Å; D393-H395 PolarHBondContact OD1-N 3.02Å; D393-G396 PolarHBondContact O-N 2.6Å; D393-G396 PolarHBondContact OD1-N 3.16Å; D393-G396 VanDerWaalsContact OD1-N 3.09Å; D393-Q397 PolarHBondContact N-O 3.41Å; D393-Q397 PolarHBondContact OD1-N 3.1Å; D393-K399 HydrophobicContact CB-CG 4.29Å
394	M	92	Very high	96.6	Very high	174 Å²	174	44.2 Å²	44.2	86%	0.857	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.6	178.4	-61.9	175.5	69.6	0	0	113.6
395	H	92.6	Very high	96.8	Very high	153 Å²	153	42.6 Å²	42.6	71%	0.708	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.6	8	177.5	-57.8	-60.5	0	0	0	112.8	D393 Q397	D393-H395 PolarHBondContact O-N 2.99Å; D393-H395 VanDerWaalsContact O-N 3.09Å; D393-H395 VanDerWaalsContact OD1-C 3.31Å; D393-H395 VanDerWaalsContact OD1-CA 3.31Å; D393-H395 WeakPolarHBondContact OD1-CA 3.36Å; D393-H395 WeakPolarHBondContact OD1-CB 3.44Å; D393-H395 PolarHBondContact OD1-N 3.02Å; H395-Q397 VanDerWaalsContact C-N 3.29Å; H395-Q397 PolarHBondContact O-N 2.98Å
396	G	95.1	Very high	96.8	Very high	44 Å²	44	42.6 Å²	42.6	45%	0.454	22%	0.22	S	C	.	.	S	Bend	trans	74	17.2	-179.9	0	0	0	0	0	114.1	K392 D393	K392-G396 WeakPolarHBondContact CD-O 3.19Å; D393-G396 PolarHBondContact O-N 2.6Å; D393-G396 PolarHBondContact OD1-N 3.16Å; D393-G396 VanDerWaalsContact OD1-N 3.09Å
397	Q	96.3	Very high	96.9	Very high	62 Å²	62	44.3 Å²	44.3	29%	0.29	23%	0.228	S	C	.	.			trans	-103	146.7	179.3	-60.5	179.2	-8.2	0	0	110	K392 D393 H395 H487	K392-Q397 CarbonylContact C-O 3.39Å; K392-Q397 WeakPolarHBondContact CA-O 3.5Å; D393-Q397 PolarHBondContact N-O 3.41Å; D393-Q397 PolarHBondContact OD1-N 3.1Å; H395-Q397 VanDerWaalsContact C-N 3.29Å; H395-Q397 PolarHBondContact O-N 2.98Å; Q397-H487 PolarHBondContact OE1-CE1 3.06Å; Q397-H487 PolarHBondContact OE1-ND1 3.49Å
398	F	98.1	Very high	97	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.022	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-63.2	142.6	-178.9	-66.5	-41.1	0	0	0	112.2	L129 F131 L157 L158 P159 F390 K392 M400 S488	L129-F398 HydrophobicContact CD1-CD2 4.31Å; F131-F398 HydrophobicContact CZ-CD2 4.44Å; F131-F398 HydrophobicContact CZ-CE2 4.16Å; L157-F398 HydrophobicContact CB-CE1 4.4Å; L157-F398 HydrophobicContact CB-CZ 4.36Å; L157-F398 WeakPolarHBondContact O-CZ 3.26Å; L158-F398 HydrophobicContact CD2-CE2 3.83Å; L158-F398 HydrophobicContact CD2-CZ 3.95Å; P159-F398 HydrophobicContact CG-CD2 4.48Å; P159-F398 HydrophobicContact CG-CE2 4.19Å; F390-F398 HydrophobicContact CB-CD1 4.28Å; F390-F398 HydrophobicContact CB-CE1 3.69Å; F390-F398 HydrophobicContact CB-CZ 4.16Å; F390-F398 HydrophobicContact CD1-CE1 4.19Å; F390-F398 HydrophobicContact CD1-CE2 4.22Å; F390-F398 AromaticContact CD1-CZ 3.83Å; F390-F398 HydrophobicContact CD1-CZ 3.83Å; F390-F398 HydrophobicContact CG-CE1 4.44Å; F390-F398 HydrophobicContact CG-CZ 4.45Å; F390-F398 VanDerWaalsContact O-CD1 3.26Å; F390-F398 WeakPolarHBondContact O-CD1 3.36Å; F390-F398 VanDerWaalsContact O-CE1 3.28Å; F390-F398 WeakPolarHBondContact O-CE1 3.41Å; K392-F398 HydrophobicContact CD-CE1 4.49Å; K392-F398 HydrophobicContact CG-CD1 3.77Å; K392-F398 HydrophobicContact CG-CE1 4.11Å; F398-M400 HydrophobicContact CB-CB 4.37Å; F398-M400 HydrophobicContact CB-CG 4.13Å; F398-M400 HydrophobicContact CB-SD 4.45Å; F398-M400 PolarHBondContact O-N 2.87Å; F398-S488 PolarHBondContact N-OG 3.25Å; F398-S488 VanDerWaalsContact O-CB 3.25Å; F398-S488 WeakPolarHBondContact O-CB 3.48Å; F398-S488 PolarHBondContact O-OG 3.07Å
399	K	97.4	Very high	97.1	Very high	68 Å²	68	38.8 Å²	38.8	30%	0.296	20%	0.204	S	C	.	.	S	Bend	trans	-75.2	41	172.2	-62.5	-170.3	177.3	-158.8	0	112.8	E47 T391 K392 D393 P453	E47-K399 VanDerWaalsContact CD-NZ 3.3Å; E47-K399 VanDerWaalsContact OE1-CD 3.3Å; E47-K399 WeakPolarHBondContact OE1-CD 3.27Å; E47-K399 WeakPolarHBondContact OE1-CE 3.35Å; E47-K399 IonicContact OE1-NZ 3.64Å; E47-K399 PolarHBondContact OE1-NZ 2.9Å; E47-K399 IonicContact OE2-NZ 3.92Å; E47-K399 PolarHBondContact OE2-NZ 3.32Å; T391-K399 HydrophobicContact CG2-CD 4.14Å; T391-K399 PolarHBondContact O-N 3.16Å; K392-K399 WeakPolarHBondContact O-CE 3.39Å; D393-K399 HydrophobicContact CB-CG 4.29Å; K399-P453 HydrophobicContact CB-CG 4.24Å; K399-P453 WeakPolarHBondContact O-CD 3.45Å
400	M	97.5	Very high	97.1	Very high	4 Å²	4	39 Å²	39	2%	0.02	21%	0.205	C	C	.	.			trans	-117.9	132.6	179.3	-58.3	179.1	-168.6	0	0	110.3	F131 V389 F390 F398 F402 S488	F131-M400 HydrophobicContact CE1-SD 4.36Å; F131-M400 HydrophobicContact CZ-SD 4.42Å; V389-M400 HydrophobicContact CG1-CE 3.61Å; V389-M400 WeakPolarHBondContact O-CE 3.48Å; F390-M400 HydrophobicContact CD1-CE 3.87Å; F390-M400 HydrophobicContact CE1-CE 4.2Å; F398-M400 HydrophobicContact CB-CB 4.37Å; F398-M400 HydrophobicContact CB-CG 4.13Å; F398-M400 HydrophobicContact CB-SD 4.45Å; F398-M400 PolarHBondContact O-N 2.87Å; M400-F402 HydrophobicContact CB-CE2 3.72Å; M400-F402 HydrophobicContact CB-CZ 3.96Å; M400-F402 HydrophobicContact SD-CE2 4.28Å; M400-F402 HydrophobicContact SD-CZ 3.8Å; M400-S488 PolarHBondContact O-N 3.23Å
401	G	98.2	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.8	165.6	0	0	0	0	0	110.9	L451	G401-L451 PolarHBondContact N-O 3.15Å; G401-L451 PolarHBondContact O-N 2.79Å
402	F	98.6	Very high	97	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.4	-177.2	-65.5	-81.7	0	0	0	112.9	L129 R285 V344 M400 G404 C449 Q486	L129-F402 HydrophobicContact CD1-CE2 4.09Å; L129-F402 HydrophobicContact CD2-CD2 3.64Å; L129-F402 HydrophobicContact CD2-CE2 3.61Å; L129-F402 HydrophobicContact CD2-CZ 4.5Å; L129-F402 HydrophobicContact CG-CE2 4.45Å; R285-F402 HydrophobicContact CG-CE1 3.46Å; R285-F402 VanDerWaalsContact CG-CE1 3.46Å; R285-F402 HydrophobicContact CG-CZ 3.89Å; V344-F402 HydrophobicContact CG2-CD1 4.12Å; V344-F402 HydrophobicContact CG2-CE1 4.26Å; M400-F402 HydrophobicContact CB-CE2 3.72Å; M400-F402 HydrophobicContact CB-CZ 3.96Å; M400-F402 HydrophobicContact SD-CE2 4.28Å; M400-F402 HydrophobicContact SD-CZ 3.8Å; F402-G404 VanDerWaalsContact C-N 3.25Å; F402-G404 PolarHBondContact O-N 3.05Å; F402-C449 CarbonylContact C-O 3.59Å; F402-C449 VanDerWaalsContact CA-O 3.3Å; F402-C449 WeakPolarHBondContact CA-O 3.33Å; F402-Q486 HydrophobicContact CB-CB 4.21Å; F402-Q486 PolarHBondContact N-O 2.88Å; F402-Q486 PolarHBondContact O-N 3.13Å
403	G	97.2	Very high	97	Very high	15 Å²	15	41.8 Å²	41.8	16%	0.155	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.7	43.9	172.9	0	0	0	0	0	112.8	C449 R492	G403-C449 PolarHBondContact N-O 3.2Å; G403-R492 PolarHBondContact O-NH2 3.49Å; G403-R492 VanDerWaalsContact O-NH2 3.16Å
404	G	98.3	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.9	178.1	0	0	0	0	0	111.3	F402 K447 I448 Q484	F402-G404 VanDerWaalsContact C-N 3.25Å; F402-G404 PolarHBondContact O-N 3.05Å; G404-K447 CarbonylContact O-C 3.59Å; G404-K447 VanDerWaalsContact O-CA 3.28Å; G404-K447 WeakPolarHBondContact O-CA 3.38Å; G404-I448 WeakPolarHBondContact CA-O 3.4Å; G404-I448 PolarHBondContact N-O 3Å; G404-I448 PolarHBondContact O-N 3.17Å; G404-Q484 CarbonylContact C-O 3.52Å; G404-Q484 VanDerWaalsContact CA-O 3.23Å; G404-Q484 WeakPolarHBondContact CA-O 3.13Å
405	T	98.8	Very high	97.5	Very high	27 Å²	27	34.5 Å²	34.5	17%	0.166	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	109.4	168.3	-62.5	0	0	0	0	107.3	L426 W446 T483 Q484	T405-L426 HydrophobicContact CG2-CD1 3.72Å; T405-W446 CarbonylContact C-O 3.49Å; T405-W446 WeakPolarHBondContact CA-O 3.41Å; T405-T483 CarbonylContact O-C 3.59Å; T405-T483 WeakPolarHBondContact O-CA 3.32Å; T405-Q484 PolarHBondContact N-O 2.77Å; T405-Q484 PolarHBondContact O-N 3.48Å
406	L	98.9	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.3	172.5	171.4	59.6	0	0	0	108.9	F42 I408 Q445 W446 I448 L457 F481 V482 T483	F42-L406 HydrophobicContact CD1-CD2 4.35Å; F42-L406 HydrophobicContact CE1-CD1 3.91Å; F42-L406 HydrophobicContact CE1-CD2 4.39Å; L406-I408 HydrophobicContact CD1-CG1 4.08Å; L406-I408 HydrophobicContact CD2-CD1 4.25Å; L406-I408 HydrophobicContact CD2-CG1 4.44Å; L406-I408 HydrophobicContact CG-CD1 4.43Å; L406-I408 HydrophobicContact CG-CG1 4.08Å; L406-Q445 CarbonylContact O-C 3.5Å; L406-Q445 VanDerWaalsContact O-CA 3.23Å; L406-Q445 WeakPolarHBondContact O-CA 3.43Å; L406-W446 HydrophobicContact CG-CE3 4.5Å; L406-W446 PolarHBondContact N-O 3.3Å; L406-W446 PolarHBondContact O-N 2.82Å; L406-I448 HydrophobicContact CB-CD1 4.27Å; L406-L457 HydrophobicContact CD2-CD1 3.67Å; L406-F481 HydrophobicContact CD1-CB 4.15Å; L406-F481 HydrophobicContact CD1-CD1 4.46Å; L406-V482 WeakPolarHBondContact CA-O 3.32Å; L406-T483 WeakPolarHBondContact CD1-OG1 3.42Å
407	E	98.8	Very high	98	Very high	36 Å²	36	25.3 Å²	25.3	17%	0.168	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134	168.7	-179.7	176.7	-178.1	0	0	109.8	K409 C444 Q445 V482	E407-K409 HydrophobicContact CG-CG 4.5Å; E407-K409 WeakPolarHBondContact OE1-CE 3.36Å; E407-K409 IonicContact OE1-NZ 3.6Å; E407-K409 PolarHBondContact OE1-NZ 3.08Å; E407-K409 IonicContact OE2-NZ 3.57Å; E407-C444 WeakPolarHBondContact CA-O 3.5Å; E407-Q445 HydrophobicContact CB-CG 3.86Å; E407-Q445 VanDerWaalsContact CD-NE2 3.28Å; E407-Q445 HydrophobicContact CG-CG 3.8Å; E407-Q445 PolarHBondContact OE2-NE2 3.29Å; E407-V482 HydrophobicContact CB-CB 4.45Å; E407-V482 PolarHBondContact N-O 2.8Å; E407-V482 PolarHBondContact O-N 3.28Å
408	I	98.9	Very high	98.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.2	177.9	-55.2	-178.4	0	0	0	109.5	L406 T410 I416 C444 W446 I459 F461 I479 Q480 F481	L406-I408 HydrophobicContact CD1-CG1 4.08Å; L406-I408 HydrophobicContact CD2-CD1 4.25Å; L406-I408 HydrophobicContact CD2-CG1 4.44Å; L406-I408 HydrophobicContact CG-CD1 4.43Å; L406-I408 HydrophobicContact CG-CG1 4.08Å; I408-T410 HydrophobicContact CG2-CG2 4.21Å; I408-I416 HydrophobicContact CB-CD1 3.76Å; I408-I416 HydrophobicContact CG2-CD1 3.79Å; I408-I416 HydrophobicContact CG2-CG1 4.3Å; I408-C444 PolarHBondContact N-O 3.4Å; I408-W446 HydrophobicContact CB-CZ3 4.34Å; I408-W446 HydrophobicContact CD1-CE3 4.37Å; I408-W446 HydrophobicContact CD1-CH2 4.35Å; I408-W446 HydrophobicContact CD1-CZ3 3.67Å; I408-W446 HydrophobicContact CG1-CZ3 3.9Å; I408-I459 HydrophobicContact CD1-CB 4.39Å; I408-I459 HydrophobicContact CD1-CD1 3.9Å; I408-I459 HydrophobicContact CD1-CG1 3.87Å; I408-I459 HydrophobicContact CD1-CG2 3.69Å; I408-F461 HydrophobicContact CG2-CE1 4.26Å; I408-I479 HydrophobicContact CG2-CG2 3.81Å; I408-Q480 WeakPolarHBondContact CA-O 3.32Å; I408-F481 HydrophobicContact CD1-CD1 3.79Å; I408-F481 HydrophobicContact CD1-CE1 3.84Å; I408-F481 HydrophobicContact CG1-CD1 3.81Å; I408-F481 HydrophobicContact CG1-CE1 4.28Å; I408-F481 HydrophobicContact CG2-CD1 4.34Å; I408-F481 HydrophobicContact CG2-CE1 4.32Å
409	K	98.7	Very high	98.1	Very high	20 Å²	20	22.1 Å²	22.1	9%	0.087	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.9	176.1	-58.8	177.1	-171.2	-69.9	0	108.9	C66 R67 A68 E407 I479 Q480	C66-K409 WeakPolarHBondContact O-CE 3.41Å; C66-K409 PolarHBondContact O-NZ 2.96Å; R67-K409 WeakPolarHBondContact O-CE 3.34Å; A68-K409 HydrophobicContact CB-CD 3.87Å; E407-K409 HydrophobicContact CG-CG 4.5Å; E407-K409 WeakPolarHBondContact OE1-CE 3.36Å; E407-K409 IonicContact OE1-NZ 3.6Å; E407-K409 PolarHBondContact OE1-NZ 3.08Å; E407-K409 IonicContact OE2-NZ 3.57Å; K409-I479 CarbonylContact O-C 3.5Å; K409-I479 WeakPolarHBondContact O-CA 3.28Å; K409-Q480 HydrophobicContact CB-CB 4.46Å; K409-Q480 PolarHBondContact N-O 2.89Å; K409-Q480 PolarHBondContact O-N 2.84Å
410	T	98.5	Very high	98.2	Very high	10 Å²	10	19.1 Å²	19.1	6%	0.061	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	158.9	-177	59.6	0	0	0	0	110.9	I408 I414 I416 C432 F461 I479	I408-T410 HydrophobicContact CG2-CG2 4.21Å; T410-I414 WeakPolarHBondContact CB-O 3.43Å; T410-I414 HydrophobicContact CG2-CG2 4.05Å; T410-I414 PolarHBondContact OG1-O 3.08Å; T410-I416 HydrophobicContact CG2-CD1 4.27Å; T410-I416 HydrophobicContact CG2-CG1 3.89Å; T410-C432 WeakPolarHBondContact OG1-CB 3.34Å; T410-C432 PolarHBondContact OG1-SG 2.52Å; T410-C432 VanDerWaalsContact OG1-SG 3.39Å; T410-F461 HydrophobicContact CG2-CD1 4.33Å; T410-F461 HydrophobicContact CG2-CE1 4.19Å; T410-I479 HydrophobicContact CG2-CG1 4.22Å; T410-I479 HydrophobicContact CG2-CG2 4.3Å
411	S	97.4	Very high	98.2	Very high	10 Å²	10	19.9 Å²	19.9	7%	0.07	10%	0.098	C	C	.	.			trans	-60.8	151.6	163.7	-56.8	0	0	0	0	109.6	E413 I414 A478	S411-E413 PolarHBondContact O-N 2.87Å; S411-I414 PolarHBondContact O-N 3.16Å; S411-A478 PolarHBondContact N-O 2.93Å; S411-A478 PolarHBondContact OG-N 3.01Å; S411-A478 PolarHBondContact OG-O 3.1Å; S411-A478 VanDerWaalsContact OG-O 3.07Å
412	R	96.1	Very high	98.2	Very high	192 Å²	192	20.1 Å²	20.1	73%	0.725	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.5	-172.5	66.4	-179.1	-179.2	169.2	4.4	114.1	I414 V464	R412-I414 VanDerWaalsContact C-N 3.28Å; R412-V464 WeakPolarHBondContact O-CG2 3.26Å
413	E	96.8	Very high	98.2	Very high	17 Å²	17	20.1 Å²	20.1	8%	0.079	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4	178.3	-62	87	-175.4	0	0	113.9	S411 V464 N465 P472 W503	S411-E413 PolarHBondContact O-N 2.87Å; E413-V464 WeakPolarHBondContact O-CG2 3.43Å; E413-V464 PolarHBondContact O-N 3.05Å; E413-N465 HydrophobicContact CB-CB 4.08Å; E413-N465 HydrophobicContact CG-CB 4.04Å; E413-P472 HydrophobicContact CB-CG 4.25Å; E413-P472 HydrophobicContact CG-CB 4.26Å; E413-P472 HydrophobicContact CG-CG 3.59Å; E413-W503 HydrophobicContact CB-CH2 4.28Å; E413-W503 HydrophobicContact CB-CZ2 3.94Å
414	I	97.8	Very high	98.3	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.7	179.6	-58.9	167.8	0	0	0	108.4	W24 T410 S411 R412 F461 E462 I479 W503	W24-I414 HydrophobicContact CE3-CD1 3.55Å; W24-I414 HydrophobicContact CH2-CD1 4.01Å; W24-I414 HydrophobicContact CZ3-CD1 3.18Å; T410-I414 WeakPolarHBondContact CB-O 3.43Å; T410-I414 HydrophobicContact CG2-CG2 4.05Å; T410-I414 PolarHBondContact OG1-O 3.08Å; S411-I414 PolarHBondContact O-N 3.16Å; R412-I414 VanDerWaalsContact C-N 3.28Å; I414-F461 HydrophobicContact CG2-CB 3.91Å; I414-F461 HydrophobicContact CG2-CD1 3.92Å; I414-F461 HydrophobicContact CG2-CG 4.2Å; I414-E462 CarbonylContact C-O 3.54Å; I414-E462 WeakPolarHBondContact CA-O 3.3Å; I414-I479 HydrophobicContact CD1-CG1 4.38Å; I414-W503 HydrophobicContact CD1-CH2 3.82Å; I414-W503 HydrophobicContact CD1-CZ2 3.82Å; I414-W503 HydrophobicContact CG1-CH2 3.51Å; I414-W503 HydrophobicContact CG1-CZ2 3.78Å
415	K	98.6	Very high	98.3	Very high	55 Å²	55	22.5 Å²	22.5	24%	0.239	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	161.3	168.8	-67.1	-165.4	175.7	-170.5	0	110.9	C432 V433 F461 E462 V464	K415-C432 CarbonylContact C-O 3.55Å; K415-C432 VanDerWaalsContact CA-O 3.22Å; K415-C432 WeakPolarHBondContact CA-O 3.32Å; K415-V433 WeakPolarHBondContact CD-O 3.44Å; K415-F461 CarbonylContact O-C 3.51Å; K415-F461 VanDerWaalsContact O-CA 3.24Å; K415-F461 WeakPolarHBondContact O-CA 3.29Å; K415-E462 PolarHBondContact N-O 2.82Å; K415-E462 PolarHBondContact O-N 3.34Å; K415-V464 HydrophobicContact CB-CG1 4.07Å; K415-V464 HydrophobicContact CD-CG1 3.77Å; K415-V464 HydrophobicContact CG-CG1 3.68Å; K415-V464 HydrophobicContact CG-CG2 4.09Å
416	I	98.8	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.5	-179.6	-50.6	158.3	0	0	0	107.4	I408 T410 C432 S434 C444 W446 I459 F461	I408-I416 HydrophobicContact CB-CD1 3.76Å; I408-I416 HydrophobicContact CG2-CD1 3.79Å; I408-I416 HydrophobicContact CG2-CG1 4.3Å; T410-I416 HydrophobicContact CG2-CD1 4.27Å; T410-I416 HydrophobicContact CG2-CG1 3.89Å; I416-C432 HydrophobicContact CD1-CB 4.1Å; I416-C432 PolarHBondContact N-O 3.07Å; I416-S434 WeakPolarHBondContact O-CB 3.31Å; I416-S434 PolarHBondContact O-N 3.05Å; I416-C444 HydrophobicContact CD1-CB 3.9Å; I416-W446 HydrophobicContact CG2-CH2 3.69Å; I416-W446 HydrophobicContact CG2-CZ2 4.33Å; I416-I459 HydrophobicContact CG2-CG2 4.05Å; I416-F461 HydrophobicContact CG1-CD1 4.17Å; I416-F461 HydrophobicContact CG1-CE1 4.15Å
417	S	98.6	Very high	98.2	Very high	5 Å²	5	29.1 Å²	29.1	4%	0.035	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-36.3	173.8	-68	0	0	0	0	111.4	N436 E437 I438 G441 Y460	S417-N436 WeakPolarHBondContact CA-O 3.27Å; S417-N436 WeakPolarHBondContact CB-O 3.42Å; S417-N436 PolarHBondContact OG-O 3.21Å; S417-N436 VanDerWaalsContact OG-O 3.1Å; S417-E437 WeakPolarHBondContact O-CA 3.45Å; S417-I438 PolarHBondContact O-N 3.18Å; S417-G441 WeakPolarHBondContact O-CA 3.4Å; S417-Y460 PolarHBondContact N-O 3.3Å
418	G	98.6	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154	-167.9	173.5	0	0	0	0	0	113.1	I438 Y460	G418-I438 CarbonylContact C-O 3.51Å; G418-I438 VanDerWaalsContact CA-O 3.24Å; G418-I438 WeakPolarHBondContact CA-O 3.42Å; G418-Y460 PolarHBondContact N-O 3.01Å; G418-Y460 PolarHBondContact O-N 3.32Å
419	A	98.7	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.5	-177.1	0	0	0	0	0	112.4	T440 W446 A458 I459	A419-T440 PolarHBondContact N-O 3.12Å; A419-T440 PolarHBondContact O-N 3.19Å; A419-W446 HydrophobicContact CB-CD2 4.25Å; A419-W446 HydrophobicContact CB-CZ2 4.03Å; A419-A458 CarbonylContact C-O 3.51Å; A419-A458 VanDerWaalsContact CA-O 3.24Å; A419-A458 WeakPolarHBondContact CA-O 3.43Å; A419-I459 HydrophobicContact CB-CD1 3.58Å
420	I	98.8	Very high	97.6	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.4	169.8	-61.8	177.6	0	0	0	109.2	I438 A458 Y460 R528 L529 Y532 M608	I420-I438 HydrophobicContact CD1-CG2 4.24Å; I420-A458 HydrophobicContact CB-CB 4.38Å; I420-A458 PolarHBondContact N-O 2.99Å; I420-A458 PolarHBondContact O-N 2.9Å; I420-Y460 HydrophobicContact CB-CE2 4.12Å; I420-Y460 HydrophobicContact CD1-CE2 3.69Å; I420-Y460 HydrophobicContact CG1-CE2 3.83Å; I420-R528 HydrophobicContact CG2-CB 4.14Å; I420-R528 PolarHBondContact O-NH1 3.22Å; I420-L529 HydrophobicContact CD1-CD2 3.83Å; I420-Y532 HydrophobicContact CD1-CG 4.08Å; I420-Y532 HydrophobicContact CG1-CD2 4.43Å; I420-Y532 HydrophobicContact CG1-CG 4.47Å; I420-Y532 HydrophobicContact CG2-CD2 4.37Å; I420-M608 HydrophobicContact CG2-CE 4.43Å; I420-M608 HydrophobicContact CG2-SD 3.52Å; I420-M608 VanDerWaalsContact CG2-SD 3.52Å
421	G	98.3	Very high	97.5	Very high	21 Å²	21	40.2 Å²	40.2	22%	0.216	22%	0.217	C	C	.	.	S	Bend	trans	148.8	-171.9	-179.7	0	0	0	0	0	110.6	C423 M608	G421-C423 PolarHBondContact O-N 2.67Å; G421-M608 VanDerWaalsContact CA-O 3.3Å; G421-M608 WeakPolarHBondContact CA-O 3.25Å
422	P	98.3	Very high	97.4	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.032	22%	0.221	C	C	.	.	S	Bend	trans	-73	84.2	-173.8	28.5	-37.2	0	0	0	113.1	N365 I448 T455 L457 M608 R609	N365-P422 WeakPolarHBondContact O-CA 3.37Å; N365-P422 WeakPolarHBondContact O-CB 3.4Å; P422-I448 WeakPolarHBondContact O-CG2 3.17Å; P422-T455 HydrophobicContact CG-CG2 3.89Å; P422-L457 HydrophobicContact CG-CD2 4.28Å; P422-M608 WeakPolarHBondContact CD-O 3.5Å; P422-R609 HydrophobicContact CG-CB 3.92Å
423	C	98.4	Very high	97.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	19%	0.192	C	C	.	.			trans	-156.4	162.6	-179.6	69.3	0	0	0	0	112.2	G421 W446 K447 I448 L457	G421-C423 PolarHBondContact O-N 2.67Å; C423-W446 HydrophobicContact CB-CB 4.02Å; C423-W446 HydrophobicContact CB-CG 4.45Å; C423-K447 CarbonylContact C-O 3.52Å; C423-K447 WeakPolarHBondContact CA-O 3.1Å; C423-I448 HydrophobicContact CB-CG1 3.89Å; C423-L457 HydrophobicContact CB-CD1 4.34Å; C423-L457 HydrophobicContact CB-CD2 4.27Å
424	V	98.4	Very high	97.6	Very high	27 Å²	27	32.1 Å²	32.1	16%	0.164	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.4	173.7	-179.2	0	0	0	0	109.9	A339 L366 W446 K447	A339-V424 HydrophobicContact CB-CB 4.38Å; A339-V424 HydrophobicContact CB-CG2 3.63Å; L366-V424 HydrophobicContact CB-CG2 3.8Å; L366-V424 HydrophobicContact CD2-CG2 4.26Å; L366-V424 HydrophobicContact CG-CG2 4.48Å; L366-V424 WeakPolarHBondContact O-CG2 3.42Å; V424-W446 CarbonylContact O-C 3.49Å; V424-W446 VanDerWaalsContact O-CA 3.25Å; V424-W446 WeakPolarHBondContact O-CA 3.23Å; V424-K447 PolarHBondContact N-O 3.2Å; V424-K447 PolarHBondContact O-N 3.21Å
425	S	98.3	Very high	97.5	Very high	38 Å²	38	40.1 Å²	40.1	27%	0.266	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134.3	177.2	-177.2	0	0	0	0	111.6	N427 T443	S425-N427 VanDerWaalsContact C-N 3.28Å; S425-N427 PolarHBondContact OG-N 2.78Å; S425-T443 WeakPolarHBondContact OG-CB 3.39Å; S425-T443 VanDerWaalsContact OG-CG2 3.24Å; S425-T443 WeakPolarHBondContact OG-CG2 3.44Å
426	L	98.1	Very high	97.4	Very high	61 Å²	61	41.3 Å²	41.3	32%	0.319	24%	0.237	S	C	.	.			trans	-90.5	7.3	166.1	-72	174.2	0	0	0	112.7	T405 S428 Q445 K447	T405-L426 HydrophobicContact CG2-CD1 3.72Å; L426-S428 PolarHBondContact O-N 2.8Å; L426-S428 PolarHBondContact O-OG 2.67Å; L426-Q445 HydrophobicContact CB-CB 3.97Å; L426-Q445 HydrophobicContact CD1-CB 4.05Å; L426-Q445 PolarHBondContact N-O 3.1Å; L426-K447 HydrophobicContact CD1-CB 4.26Å; L426-K447 HydrophobicContact CD2-CB 3.98Å; L426-K447 HydrophobicContact CG-CB 4.05Å
427	N	97.6	Very high	97.3	Very high	105 Å²	105	47.1 Å²	47.1	56%	0.561	26%	0.264	S	S	*	.			trans	48.4	33.6	179.2	-161.8	25.9	0	0	0	113.5	S425 K429 T443	S425-N427 VanDerWaalsContact C-N 3.28Å; S425-N427 PolarHBondContact OG-N 2.78Å; N427-K429 PolarHBondContact O-N 2.82Å; N427-K429 WeakPolarHBondContact OD1-CE 3.22Å; N427-K429 PolarHBondContact OD1-NZ 3.21Å; N427-T443 PolarHBondContact N-OG1 2.93Å
428	S	96.9	Very high	97.2	Very high	32 Å²	32	49 Å²	49	22%	0.224	27%	0.273	C	S	.	.			trans	-83.8	108.8	-179.7	-67.6	0	0	0	0	108.7	L426 T443 C444 Q445	L426-S428 PolarHBondContact O-N 2.8Å; L426-S428 PolarHBondContact O-OG 2.67Å; S428-T443 PolarHBondContact N-OG1 3.16Å; S428-T443 WeakPolarHBondContact O-CA 3.25Å; S428-T443 PolarHBondContact O-OG1 3.43Å; S428-C444 PolarHBondContact O-N 3.28Å; S428-C444 PolarHBondContact O-SG 3.39Å; S428-C444 VanDerWaalsContact O-SG 3.4Å; S428-Q445 PolarHBondContact OG-OE1 3.06Å
429	K	95.2	Very high	97.1	Very high	132 Å²	132	49.9 Å²	49.9	57%	0.574	28%	0.282	S	S	*	.			trans	-80.4	155.7	179	-54.6	-57.2	-177.4	-174.4	0	110.6	N427 G442	N427-K429 PolarHBondContact O-N 2.82Å; N427-K429 WeakPolarHBondContact OD1-CE 3.22Å; N427-K429 PolarHBondContact OD1-NZ 3.21Å; K429-G442 WeakPolarHBondContact CD-O 3.31Å; K429-G442 WeakPolarHBondContact CE-O 3.18Å; K429-G442 PolarHBondContact NZ-O 3.06Å
430	G	91.4	Very high	97	Very high	33 Å²	33	51.6 Å²	51.6	34%	0.34	29%	0.293	S	S	.	.			trans	-179.5	174	176.8	0	0	0	0	0	112	C432 V433	G430-C432 PolarHBondContact O-N 3.35Å; G430-C432 VanDerWaalsContact O-N 3.13Å; G430-V433 PolarHBondContact O-N 3.2Å; G430-V433 VanDerWaalsContact O-N 3.09Å
431	P	95.4	Very high	97	Very high	103 Å²	103	51.9 Å²	51.9	67%	0.669	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.1	-178.5	27.2	-35.2	0	0	0	113.1	V433	P431-V433 VanDerWaalsContact C-N 3.34Å
432	C	97	Very high	97	Very high	23 Å²	23	51 Å²	51	16%	0.155	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.8	178.9	-53.5	0	0	0	0	112.9	T410 K415 I416 G430	T410-C432 WeakPolarHBondContact OG1-CB 3.34Å; T410-C432 PolarHBondContact OG1-SG 2.52Å; T410-C432 VanDerWaalsContact OG1-SG 3.39Å; K415-C432 CarbonylContact C-O 3.55Å; K415-C432 VanDerWaalsContact CA-O 3.22Å; K415-C432 WeakPolarHBondContact CA-O 3.32Å; I416-C432 HydrophobicContact CD1-CB 4.1Å; I416-C432 PolarHBondContact N-O 3.07Å; G430-C432 PolarHBondContact O-N 3.35Å; G430-C432 VanDerWaalsContact O-N 3.13Å
433	V	98.4	Very high	97	Very high	17 Å²	17	50.8 Å²	50.8	10%	0.103	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-87.4	126.3	-175.6	-177.6	0	0	0	0	110	K415 G430 P431 C444	K415-V433 WeakPolarHBondContact CD-O 3.44Å; G430-V433 PolarHBondContact O-N 3.2Å; G430-V433 VanDerWaalsContact O-N 3.09Å; P431-V433 VanDerWaalsContact C-N 3.34Å; V433-C444 HydrophobicContact CG2-CB 3.99Å
434	S	97.9	Very high	97	Very high	8 Å²	8	51.4 Å²	51.4	6%	0.056	29%	0.291	C	S	.	.			trans	-77.7	153.9	174.4	-167.4	0	0	0	0	111.7	I416 N436 E462	I416-S434 WeakPolarHBondContact O-CB 3.31Å; I416-S434 PolarHBondContact O-N 3.05Å; S434-N436 VanDerWaalsContact C-N 3.33Å; S434-N436 PolarHBondContact OG-N 2.95Å; S434-N436 VanDerWaalsContact OG-N 3.12Å; S434-E462 PolarHBondContact OG-OE2 3.42Å
435	E	95.9	Very high	97	Very high	173 Å²	173	52.1 Å²	52.1	81%	0.808	29%	0.292	S	S	*	.	S	Bend	trans	-78	-23.4	167.5	-64.4	174.5	-174.6	0	0	111.4	E437	E435-E437 PolarHBondContact O-N 3.23Å
436	N	95.8	Very high	97	Very high	80 Å²	80	50.3 Å²	50.3	43%	0.428	28%	0.28	S	S	.	.	S	Bend	trans	-87.9	93.7	177.1	-63.9	-31.3	0	0	0	109.8	R28 S417 S434 E462	R28-N436 PolarHBondContact NH2-ND2 3.44Å; R28-N436 VanDerWaalsContact NH2-ND2 3.19Å; S417-N436 WeakPolarHBondContact CA-O 3.27Å; S417-N436 WeakPolarHBondContact CB-O 3.42Å; S417-N436 PolarHBondContact OG-O 3.21Å; S417-N436 VanDerWaalsContact OG-O 3.1Å; S434-N436 VanDerWaalsContact C-N 3.33Å; S434-N436 PolarHBondContact OG-N 2.95Å; S434-N436 VanDerWaalsContact OG-N 3.12Å; N436-E462 WeakPolarHBondContact CB-OE2 3.23Å; N436-E462 PolarHBondContact ND2-OE1 2.72Å; N436-E462 PolarHBondContact ND2-OE2 2.86Å
437	E	96.7	Very high	97.1	Very high	121 Å²	121	49.1 Å²	49.1	57%	0.565	27%	0.272	S	S	*	.			trans	-78.3	136.5	-176.3	-61.7	-168.8	-171	0	0	112.9	S417 E435 G442	S417-E437 WeakPolarHBondContact O-CA 3.45Å; E435-E437 PolarHBondContact O-N 3.23Å; E437-G442 VanDerWaalsContact OE1-CA 3.28Å; E437-G442 WeakPolarHBondContact OE1-CA 3.36Å
438	I	96.9	Very high	97.1	Very high	45 Å²	45	44.1 Å²	44.1	23%	0.231	25%	0.245	C	C	.	.			trans	-129.4	127.6	172.2	-68.6	178.2	0	0	0	108.6	S417 G418 I420 T440 Y460 L529	S417-I438 PolarHBondContact O-N 3.18Å; G418-I438 CarbonylContact C-O 3.51Å; G418-I438 VanDerWaalsContact CA-O 3.24Å; G418-I438 WeakPolarHBondContact CA-O 3.42Å; I420-I438 HydrophobicContact CD1-CG2 4.24Å; I438-T440 PolarHBondContact O-N 3.22Å; I438-Y460 HydrophobicContact CB-CG 4.41Å; I438-Y460 HydrophobicContact CD1-CD1 4.43Å; I438-Y460 HydrophobicContact CD1-CG 4.33Å; I438-Y460 HydrophobicContact CG2-CD1 4.28Å; I438-Y460 HydrophobicContact CG2-CD2 3.64Å; I438-Y460 HydrophobicContact CG2-CE2 4.11Å; I438-Y460 HydrophobicContact CG2-CG 3.74Å; I438-L529 HydrophobicContact CG2-CD2 3.42Å; I438-L529 VanDerWaalsContact CG2-CD2 3.42Å
439	G	96.9	Very high	97.2	Very high	18 Å²	18	42.6 Å²	42.6	19%	0.186	24%	0.235	C	C	.	.	S	Bend	trans	63.9	-131	-178.9	0	0	0	0	0	111.7	G441 Y532	G439-G441 PolarHBondContact O-N 3.29Å; G439-G441 VanDerWaalsContact O-N 3.11Å; G439-Y532 PolarHBondContact O-OH 2.73Å
440	T	97.5	Very high	97.4	Very high	37 Å²	37	36.4 Å²	36.4	23%	0.227	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	81.6	171.4	-56.4	0	0	0	0	109.6	A419 I438 W446	A419-T440 PolarHBondContact N-O 3.12Å; A419-T440 PolarHBondContact O-N 3.19Å; I438-T440 PolarHBondContact O-N 3.22Å; T440-W446 PolarHBondContact O-NE1 3.08Å
441	G	97.5	Very high	97.7	Very high	9 Å²	9	34.9 Å²	34.9	9%	0.093	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-163.6	-176.2	0	0	0	0	0	115.3	S417 G439 T443	S417-G441 WeakPolarHBondContact O-CA 3.4Å; G439-G441 PolarHBondContact O-N 3.29Å; G439-G441 VanDerWaalsContact O-N 3.11Å; G441-T443 PolarHBondContact O-N 2.67Å
442	G	98.1	Very high	97.8	Very high	4 Å²	4	30.2 Å²	30.2	4%	0.041	16%	0.162	C	C	.	.	S	Bend	trans	68	17.9	172.8	0	0	0	0	0	115	K429 E437	K429-G442 WeakPolarHBondContact CD-O 3.31Å; K429-G442 WeakPolarHBondContact CE-O 3.18Å; K429-G442 PolarHBondContact NZ-O 3.06Å; E437-G442 VanDerWaalsContact OE1-CA 3.28Å; E437-G442 WeakPolarHBondContact OE1-CA 3.36Å
443	T	98.6	Very high	97.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.			trans	-150.3	159.1	-177	-172.1	0	0	0	0	111	S425 N427 S428 G441 Q445 W446	S425-T443 WeakPolarHBondContact OG-CB 3.39Å; S425-T443 VanDerWaalsContact OG-CG2 3.24Å; S425-T443 WeakPolarHBondContact OG-CG2 3.44Å; N427-T443 PolarHBondContact N-OG1 2.93Å; S428-T443 PolarHBondContact N-OG1 3.16Å; S428-T443 WeakPolarHBondContact O-CA 3.25Å; S428-T443 PolarHBondContact O-OG1 3.43Å; G441-T443 PolarHBondContact O-N 2.67Å; T443-Q445 VanDerWaalsContact CG2-O 3.23Å; T443-Q445 WeakPolarHBondContact CG2-O 3.35Å; T443-Q445 PolarHBondContact OG1-N 3.11Å; T443-Q445 PolarHBondContact OG1-O 3.03Å; T443-W446 HydrophobicContact CG2-CD2 4.01Å; T443-W446 VanDerWaalsContact CG2-CE2 3.4Å; T443-W446 HydrophobicContact CG2-CG 4.38Å; T443-W446 HydrophobicContact CG2-CH2 4.24Å; T443-W446 HydrophobicContact CG2-CZ2 3.55Å; T443-W446 VanDerWaalsContact O-CH2 3.29Å; T443-W446 WeakPolarHBondContact O-CH2 3.35Å; T443-W446 WeakPolarHBondContact O-CZ2 3.5Å
444	C	98.3	Very high	97.8	Very high	14 Å²	14	32.4 Å²	32.4	10%	0.095	18%	0.175	C	C	.	.	S	Bend	trans	-108	3.8	163.8	62.2	0	0	0	0	113	E407 I408 I416 S428 V433	E407-C444 WeakPolarHBondContact CA-O 3.5Å; I408-C444 PolarHBondContact N-O 3.4Å; I416-C444 HydrophobicContact CD1-CB 3.9Å; S428-C444 PolarHBondContact O-N 3.28Å; S428-C444 PolarHBondContact O-SG 3.39Å; S428-C444 VanDerWaalsContact O-SG 3.4Å; V433-C444 HydrophobicContact CG2-CB 3.99Å
445	Q	98.8	Very high	97.9	Very high	42 Å²	42	32 Å²	32	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.3	177	-63.9	-170.5	-9.9	0	0	112.6	L406 E407 L426 S428 T443	L406-Q445 CarbonylContact O-C 3.5Å; L406-Q445 VanDerWaalsContact O-CA 3.23Å; L406-Q445 WeakPolarHBondContact O-CA 3.43Å; E407-Q445 HydrophobicContact CB-CG 3.86Å; E407-Q445 VanDerWaalsContact CD-NE2 3.28Å; E407-Q445 HydrophobicContact CG-CG 3.8Å; E407-Q445 PolarHBondContact OE2-NE2 3.29Å; L426-Q445 HydrophobicContact CB-CB 3.97Å; L426-Q445 HydrophobicContact CD1-CB 4.05Å; L426-Q445 PolarHBondContact N-O 3.1Å; S428-Q445 PolarHBondContact OG-OE1 3.06Å; T443-Q445 VanDerWaalsContact CG2-O 3.23Å; T443-Q445 WeakPolarHBondContact CG2-O 3.35Å; T443-Q445 PolarHBondContact OG1-N 3.11Å; T443-Q445 PolarHBondContact OG1-O 3.03Å
446	W	98.9	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.8	174.6	-60.9	-97.5	0	0	0	110.8	T405 L406 I408 I416 A419 C423 V424 T440 T443	T405-W446 CarbonylContact C-O 3.49Å; T405-W446 WeakPolarHBondContact CA-O 3.41Å; L406-W446 HydrophobicContact CG-CE3 4.5Å; L406-W446 PolarHBondContact N-O 3.3Å; L406-W446 PolarHBondContact O-N 2.82Å; I408-W446 HydrophobicContact CB-CZ3 4.34Å; I408-W446 HydrophobicContact CD1-CE3 4.37Å; I408-W446 HydrophobicContact CD1-CH2 4.35Å; I408-W446 HydrophobicContact CD1-CZ3 3.67Å; I408-W446 HydrophobicContact CG1-CZ3 3.9Å; I416-W446 HydrophobicContact CG2-CH2 3.69Å; I416-W446 HydrophobicContact CG2-CZ2 4.33Å; A419-W446 HydrophobicContact CB-CD2 4.25Å; A419-W446 HydrophobicContact CB-CZ2 4.03Å; C423-W446 HydrophobicContact CB-CB 4.02Å; C423-W446 HydrophobicContact CB-CG 4.45Å; V424-W446 CarbonylContact O-C 3.49Å; V424-W446 VanDerWaalsContact O-CA 3.25Å; V424-W446 WeakPolarHBondContact O-CA 3.23Å; T440-W446 PolarHBondContact O-NE1 3.08Å; T443-W446 HydrophobicContact CG2-CD2 4.01Å; T443-W446 VanDerWaalsContact CG2-CE2 3.4Å; T443-W446 HydrophobicContact CG2-CG 4.38Å; T443-W446 HydrophobicContact CG2-CH2 4.24Å; T443-W446 HydrophobicContact CG2-CZ2 3.55Å; T443-W446 VanDerWaalsContact O-CH2 3.29Å; T443-W446 WeakPolarHBondContact O-CH2 3.35Å; T443-W446 WeakPolarHBondContact O-CZ2 3.5Å
447	K	98.7	Very high	98.2	Very high	35 Å²	35	20 Å²	20	15%	0.152	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.9	168	-174.2	179.4	-74.8	-173.8	0	109.5	A339 T340 G404 C423 V424 L426	A339-K447 WeakPolarHBondContact O-CD 3.28Å; T340-K447 PolarHBondContact O-NZ 2.88Å; G404-K447 CarbonylContact O-C 3.59Å; G404-K447 VanDerWaalsContact O-CA 3.28Å; G404-K447 WeakPolarHBondContact O-CA 3.38Å; C423-K447 CarbonylContact C-O 3.52Å; C423-K447 WeakPolarHBondContact CA-O 3.1Å; V424-K447 PolarHBondContact N-O 3.2Å; V424-K447 PolarHBondContact O-N 3.21Å; L426-K447 HydrophobicContact CD1-CB 4.26Å; L426-K447 HydrophobicContact CD2-CB 3.98Å; L426-K447 HydrophobicContact CG-CB 4.05Å
448	I	98.8	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	100.9	176	-51.6	166.2	0	0	0	106	G404 L406 P422 C423 G450 L451 L457	G404-I448 WeakPolarHBondContact CA-O 3.4Å; G404-I448 PolarHBondContact N-O 3Å; G404-I448 PolarHBondContact O-N 3.17Å; L406-I448 HydrophobicContact CB-CD1 4.27Å; P422-I448 WeakPolarHBondContact O-CG2 3.17Å; C423-I448 HydrophobicContact CB-CG1 3.89Å; I448-G450 WeakPolarHBondContact CG2-O 3.48Å; I448-G450 PolarHBondContact O-N 3.08Å; I448-L451 HydrophobicContact CB-CD2 3.78Å; I448-L451 HydrophobicContact CG2-CB 3.75Å; I448-L451 HydrophobicContact CG2-CD2 3.7Å; I448-L451 HydrophobicContact CG2-CG 4.32Å; I448-L457 HydrophobicContact CD1-CD1 3.71Å; I448-L457 HydrophobicContact CG1-CD1 4.43Å
449	C	98.7	Very high	98.4	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.007	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-38.5	-168.9	-54.1	0	0	0	0	111.9	A339 H343 V344 T367 F402 G403	A339-C449 VanDerWaalsContact CA-SG 3.57Å; A339-C449 PolarHBondContact O-SG 2.61Å; A339-C449 VanDerWaalsContact O-SG 3.42Å; H343-C449 WeakPolarHBondContact O-CB 3.42Å; V344-C449 VanDerWaalsContact CG2-C 3.42Å; V344-C449 HydrophobicContact CG2-CB 4Å; V344-C449 WeakPolarHBondContact CG2-O 3.25Å; T367-C449 CarbonylContact O-C 3.56Å; T367-C449 WeakPolarHBondContact O-CA 3.48Å; T367-C449 VanDerWaalsContact O-CB 3.26Å; T367-C449 WeakPolarHBondContact O-CB 3.44Å; T367-C449 PolarHBondContact O-N 3.11Å; F402-C449 CarbonylContact C-O 3.59Å; F402-C449 VanDerWaalsContact CA-O 3.3Å; F402-C449 WeakPolarHBondContact CA-O 3.33Å; G403-C449 PolarHBondContact N-O 3.2Å
450	G	98.8	Very high	98.4	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.01	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.6	174.1	0	0	0	0	0	110.1	V344 T367 G368 I448	V344-G450 VanDerWaalsContact CG2-CA 3.49Å; T367-G450 PolarHBondContact O-N 2.92Å; G368-G450 WeakPolarHBondContact CA-O 3.38Å; I448-G450 WeakPolarHBondContact CG2-O 3.48Å; I448-G450 PolarHBondContact O-N 3.08Å
451	L	98.4	Very high	98.5	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.5	177.1	56.5	111.1	0	0	0	110.8	L45 G401 I448 T455	L45-L451 HydrophobicContact CB-CD1 4.34Å; L45-L451 HydrophobicContact CD1-CD1 3.14Å; L45-L451 HydrophobicContact CD1-CG 4.46Å; L45-L451 HydrophobicContact CD2-CD1 4.18Å; L45-L451 HydrophobicContact CG-CD1 3.28Å; G401-L451 PolarHBondContact N-O 3.15Å; G401-L451 PolarHBondContact O-N 2.79Å; I448-L451 HydrophobicContact CB-CD2 3.78Å; I448-L451 HydrophobicContact CG2-CB 3.75Å; I448-L451 HydrophobicContact CG2-CD2 3.7Å; I448-L451 HydrophobicContact CG2-CG 4.32Å; L451-T455 HydrophobicContact CB-CG2 4.11Å
452	S	98.1	Very high	98.5	Very high	6 Å²	6	10.5 Å²	10.5	4%	0.042	6%	0.058	C	C	.	.			trans	-130.1	171	-178.9	59.6	0	0	0	0	109.5	T454 T455	S452-T454 PolarHBondContact O-N 3.13Å; S452-T454 PolarHBondContact OG-N 3.36Å; S452-T454 PolarHBondContact OG-OG1 3Å; S452-T455 PolarHBondContact N-OG1 2.93Å; S452-T455 WeakPolarHBondContact O-CB 3.28Å; S452-T455 PolarHBondContact O-N 3.07Å; S452-T455 PolarHBondContact O-OG1 2.91Å; S452-T455 PolarHBondContact OG-N 3.21Å; S452-T455 PolarHBondContact OG-OG1 2.8Å; S452-T455 VanDerWaalsContact OG-OG1 3.05Å
453	P	97.8	Very high	98.5	Very high	24 Å²	24	10.5 Å²	10.5	16%	0.156	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.1	172.9	-26.5	35.5	0	0	0	115.7	T43 L45 E47 K399	T43-P453 WeakPolarHBondContact CG2-O 3.2Å; L45-P453 VanDerWaalsContact O-CA 3.24Å; L45-P453 WeakPolarHBondContact O-CA 3.47Å; L45-P453 WeakPolarHBondContact O-CB 3.49Å; E47-P453 HydrophobicContact CG-CB 3.48Å; E47-P453 VanDerWaalsContact CG-CB 3.48Å; E47-P453 HydrophobicContact CG-CG 3.9Å; K399-P453 HydrophobicContact CB-CG 4.24Å; K399-P453 WeakPolarHBondContact O-CD 3.45Å
454	T	97.5	Very high	98.4	Very high	61 Å²	61	12.5 Å²	12.5	37%	0.374	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-11.5	177.3	55.8	0	0	0	0	113.8	S452 T456 R609	S452-T454 PolarHBondContact O-N 3.13Å; S452-T454 PolarHBondContact OG-N 3.36Å; S452-T454 PolarHBondContact OG-OG1 3Å; T454-T456 PolarHBondContact O-N 3.03Å; T454-T456 VanDerWaalsContact O-N 3.13Å; T454-T456 PolarHBondContact O-OG1 3.41Å; T454-T456 VanDerWaalsContact O-OG1 3.11Å; T454-R609 VanDerWaalsContact O-O 3.09Å
455	T	98.8	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.			trans	-65.4	116.7	-176.5	-63.4	0	0	0	0	109.9	P44 P422 L451 S452	P44-T455 WeakPolarHBondContact CD-O 3.37Å; P422-T455 HydrophobicContact CG-CG2 3.89Å; L451-T455 HydrophobicContact CB-CG2 4.11Å; S452-T455 PolarHBondContact N-OG1 2.93Å; S452-T455 WeakPolarHBondContact O-CB 3.28Å; S452-T455 PolarHBondContact O-N 3.07Å; S452-T455 PolarHBondContact O-OG1 2.91Å; S452-T455 PolarHBondContact OG-N 3.21Å; S452-T455 PolarHBondContact OG-OG1 2.8Å; S452-T455 VanDerWaalsContact OG-OG1 3.05Å
456	T	98.9	Very high	97.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	10%	0.097	C	C	.	.			trans	-123.4	124.1	-176.1	-56	0	0	0	0	111.2	L41 F42 T43 T454 R528 R609 Q610 D611	L41-T456 HydrophobicContact CB-CG2 3.94Å; L41-T456 HydrophobicContact CD2-CG2 4.32Å; F42-T456 WeakPolarHBondContact O-CA 3.37Å; T43-T456 PolarHBondContact OG1-OG1 3.31Å; T43-T456 VanDerWaalsContact OG1-OG1 3.1Å; T454-T456 PolarHBondContact O-N 3.03Å; T454-T456 VanDerWaalsContact O-N 3.13Å; T454-T456 PolarHBondContact O-OG1 3.41Å; T454-T456 VanDerWaalsContact O-OG1 3.11Å; T456-R528 PolarHBondContact O-NH1 2.81Å; T456-R528 PolarHBondContact O-NH2 2.79Å; T456-R609 PolarHBondContact N-O 2.89Å; T456-Q610 WeakPolarHBondContact CB-O 3.2Å; T456-D611 WeakPolarHBondContact OG1-CA 3.49Å; T456-D611 PolarHBondContact OG1-N 2.8Å
457	L	98.8	Very high	97.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.8	174.5	-62.2	-177.6	0	0	0	110.8	L41 F42 L406 P422 C423 I448 I459	L41-L457 CarbonylContact C-O 3.57Å; L41-L457 WeakPolarHBondContact CA-O 3.39Å; F42-L457 PolarHBondContact N-O 3.03Å; F42-L457 PolarHBondContact O-N 3.49Å; L406-L457 HydrophobicContact CD2-CD1 3.67Å; P422-L457 HydrophobicContact CG-CD2 4.28Å; C423-L457 HydrophobicContact CB-CD1 4.34Å; C423-L457 HydrophobicContact CB-CD2 4.27Å; I448-L457 HydrophobicContact CD1-CD1 3.71Å; I448-L457 HydrophobicContact CG1-CD1 4.43Å; L457-I459 HydrophobicContact CB-CD1 4Å; L457-I459 HydrophobicContact CD1-CD1 4.48Å
458	A	98.9	Very high	96.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.3	166.5	0	0	0	0	0	109.5	A40 L41 A419 I420 Y460 L525 R528	A40-A458 CarbonylContact O-C 3.44Å; A40-A458 WeakPolarHBondContact O-CA 3.32Å; L41-A458 HydrophobicContact CD2-CB 4.1Å; A419-A458 CarbonylContact C-O 3.51Å; A419-A458 VanDerWaalsContact CA-O 3.24Å; A419-A458 WeakPolarHBondContact CA-O 3.43Å; I420-A458 HydrophobicContact CB-CB 4.38Å; I420-A458 PolarHBondContact N-O 2.99Å; I420-A458 PolarHBondContact O-N 2.9Å; A458-Y460 HydrophobicContact CB-CE2 3.77Å; A458-L525 HydrophobicContact CB-CD2 3.61Å; A458-R528 VanDerWaalsContact CB-CD 3.48Å
459	I	98.9	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.6	178.3	-47.7	-58.8	0	0	0	108.9	A39 A40 I408 I416 A419 L457 F461 F481	A39-I459 CarbonylContact C-O 3.59Å; A39-I459 WeakPolarHBondContact CA-O 3.33Å; A39-I459 WeakPolarHBondContact CB-O 3.35Å; A40-I459 PolarHBondContact N-O 3.06Å; A40-I459 PolarHBondContact O-N 3.43Å; I408-I459 HydrophobicContact CD1-CB 4.39Å; I408-I459 HydrophobicContact CD1-CD1 3.9Å; I408-I459 HydrophobicContact CD1-CG1 3.87Å; I408-I459 HydrophobicContact CD1-CG2 3.69Å; I416-I459 HydrophobicContact CG2-CG2 4.05Å; A419-I459 HydrophobicContact CB-CD1 3.58Å; L457-I459 HydrophobicContact CB-CD1 4Å; L457-I459 HydrophobicContact CD1-CD1 4.48Å; I459-F461 HydrophobicContact CB-CE2 4.02Å; I459-F461 HydrophobicContact CB-CZ 3.86Å; I459-F461 HydrophobicContact CG2-CD1 4.42Å; I459-F461 HydrophobicContact CG2-CE1 3.67Å; I459-F461 HydrophobicContact CG2-CE2 3.87Å; I459-F461 HydrophobicContact CG2-CZ 3.34Å; I459-F481 HydrophobicContact CG1-CE1 4.37Å
460	Y	98.8	Very high	95.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.9	-179	-61.1	-94.3	0	0	0	110.1	P37 A39 S417 G418 I420 I438 A458 L525 L529	P37-Y460 HydrophobicContact CG-CD1 3.86Å; P37-Y460 HydrophobicContact CG-CE1 4.24Å; A39-Y460 HydrophobicContact CB-CD1 3.47Å; A39-Y460 VanDerWaalsContact CB-CD1 3.47Å; A39-Y460 HydrophobicContact CB-CE1 3.85Å; A39-Y460 HydrophobicContact CB-CG 4.07Å; S417-Y460 PolarHBondContact N-O 3.3Å; G418-Y460 PolarHBondContact N-O 3.01Å; G418-Y460 PolarHBondContact O-N 3.32Å; I420-Y460 HydrophobicContact CB-CE2 4.12Å; I420-Y460 HydrophobicContact CD1-CE2 3.69Å; I420-Y460 HydrophobicContact CG1-CE2 3.83Å; I438-Y460 HydrophobicContact CB-CG 4.41Å; I438-Y460 HydrophobicContact CD1-CD1 4.43Å; I438-Y460 HydrophobicContact CD1-CG 4.33Å; I438-Y460 HydrophobicContact CG2-CD1 4.28Å; I438-Y460 HydrophobicContact CG2-CD2 3.64Å; I438-Y460 HydrophobicContact CG2-CE2 4.11Å; I438-Y460 HydrophobicContact CG2-CG 3.74Å; A458-Y460 HydrophobicContact CB-CE2 3.77Å; Y460-L525 HydrophobicContact CE1-CB 4.42Å; Y460-L525 HydrophobicContact CE1-CD2 4.39Å; Y460-L525 PolarHBondContact OH-O 2.88Å; Y460-L529 HydrophobicContact CD1-CD1 4.4Å; Y460-L529 HydrophobicContact CD1-CD2 4.4Å; Y460-L529 HydrophobicContact CE1-CD1 3.73Å; Y460-L529 HydrophobicContact CE1-CD2 3.87Å; Y460-L529 HydrophobicContact CE1-CG 3.67Å; Y460-L529 HydrophobicContact CE2-CD2 4.37Å
461	F	98.7	Very high	95.5	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.035	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	157.3	-177.2	-54.7	-81.3	0	0	0	111.3	F19 V38 A40 I408 T410 I414 K415 I416 I459 I479 F481	F19-F461 HydrophobicContact CE1-CD2 4.29Å; F19-F461 AromaticContact CE1-CE2 3.96Å; F19-F461 HydrophobicContact CE1-CE2 3.96Å; F19-F461 HydrophobicContact CZ-CE2 4.48Å; V38-F461 HydrophobicContact CG1-CB 4.4Å; V38-F461 WeakPolarHBondContact O-CA 3.41Å; V38-F461 WeakPolarHBondContact O-CB 3.48Å; V38-F461 PolarHBondContact O-N 3.33Å; A40-F461 HydrophobicContact CB-CE2 4.15Å; I408-F461 HydrophobicContact CG2-CE1 4.26Å; T410-F461 HydrophobicContact CG2-CD1 4.33Å; T410-F461 HydrophobicContact CG2-CE1 4.19Å; I414-F461 HydrophobicContact CG2-CB 3.91Å; I414-F461 HydrophobicContact CG2-CD1 3.92Å; I414-F461 HydrophobicContact CG2-CG 4.2Å; K415-F461 CarbonylContact O-C 3.51Å; K415-F461 VanDerWaalsContact O-CA 3.24Å; K415-F461 WeakPolarHBondContact O-CA 3.29Å; I416-F461 HydrophobicContact CG1-CD1 4.17Å; I416-F461 HydrophobicContact CG1-CE1 4.15Å; I459-F461 HydrophobicContact CB-CE2 4.02Å; I459-F461 HydrophobicContact CB-CZ 3.86Å; I459-F461 HydrophobicContact CG2-CD1 4.42Å; I459-F461 HydrophobicContact CG2-CE1 3.67Å; I459-F461 HydrophobicContact CG2-CE2 3.87Å; I459-F461 HydrophobicContact CG2-CZ 3.34Å; F461-I479 HydrophobicContact CD1-CD1 4.12Å; F461-I479 HydrophobicContact CD2-CD1 4.27Å; F461-I479 HydrophobicContact CE1-CD1 3.8Å; F461-I479 HydrophobicContact CE1-CG2 4.27Å; F461-I479 HydrophobicContact CE2-CD1 3.98Å; F461-I479 HydrophobicContact CG-CD1 4.34Å; F461-I479 HydrophobicContact CZ-CD1 3.73Å; F461-I479 HydrophobicContact CZ-CG2 4.24Å; F461-F481 HydrophobicContact CZ-CE1 4.33Å; F461-F481 HydrophobicContact CZ-CZ 4.24Å
462	E	97.7	Very high	94.9	Very high	22 Å²	22	37.2 Å²	37.2	10%	0.103	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.9	174.5	-179.3	173.2	179.3	0	0	109.7	R28 I414 K415 S434 N436 V464	R28-E462 IonicContact CZ-OE1 2.69Å; R28-E462 IonicContact NE-OE1 3.83Å; R28-E462 PolarHBondContact NE-OE1 2.73Å; R28-E462 IonicContact NH2-OE1 3.85Å; R28-E462 PolarHBondContact NH2-OE1 3.44Å; I414-E462 CarbonylContact C-O 3.54Å; I414-E462 WeakPolarHBondContact CA-O 3.3Å; K415-E462 PolarHBondContact N-O 2.82Å; K415-E462 PolarHBondContact O-N 3.34Å; S434-E462 PolarHBondContact OG-OE2 3.42Å; N436-E462 WeakPolarHBondContact CB-OE2 3.23Å; N436-E462 PolarHBondContact ND2-OE1 2.72Å; N436-E462 PolarHBondContact ND2-OE2 2.86Å; E462-V464 HydrophobicContact CG-CG1 4.14Å
463	V	97.1	Very high	93.9	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.4	168.1	179.2	0	0	0	0	108.2	P25 R28 A31 V38 N465 W503	P25-V463 HydrophobicContact CG-CG2 4.33Å; R28-V463 WeakPolarHBondContact CA-O 3.29Å; R28-V463 WeakPolarHBondContact CB-O 3.17Å; R28-V463 WeakPolarHBondContact CG-O 3.4Å; A31-V463 HydrophobicContact CB-CB 3.98Å; A31-V463 HydrophobicContact CB-CG2 4.13Å; V38-V463 HydrophobicContact CG2-CG2 4.46Å; V463-N465 HydrophobicContact CG1-CB 4.41Å; V463-W503 HydrophobicContact CG1-CH2 4.29Å; V463-W503 HydrophobicContact CG1-CZ3 4.03Å; V463-W503 HydrophobicContact CG2-CH2 4.27Å; V463-W503 HydrophobicContact CG2-CZ3 3.96Å
464	V	96.4	Very high	93.1	Very high	41 Å²	41	45.5 Å²	45.5	25%	0.248	26%	0.261	C	S	.	.			trans	-109.2	-6.3	-177.6	-64	0	0	0	0	114	R412 E413 K415 E462 Q466	R412-V464 WeakPolarHBondContact O-CG2 3.26Å; E413-V464 WeakPolarHBondContact O-CG2 3.43Å; E413-V464 PolarHBondContact O-N 3.05Å; K415-V464 HydrophobicContact CB-CG1 4.07Å; K415-V464 HydrophobicContact CD-CG1 3.77Å; K415-V464 HydrophobicContact CG-CG1 3.68Å; K415-V464 HydrophobicContact CG-CG2 4.09Å; E462-V464 HydrophobicContact CG-CG1 4.14Å; V464-Q466 PolarHBondContact O-N 3.45Å
465	N	93.8	Very high	92.8	Very high	24 Å²	24	44 Å²	44	13%	0.128	26%	0.257	C	S	.	.	S	Bend	trans	-60.5	136.6	177.1	-165	37	0	0	0	110.9	S26 R28 E413 V463 A469 P470	S26-N465 VanDerWaalsContact O-CB 3.3Å; S26-N465 WeakPolarHBondContact O-CB 3.46Å; S26-N465 PolarHBondContact O-ND2 2.76Å; R28-N465 PolarHBondContact N-O 3.16Å; E413-N465 HydrophobicContact CB-CB 4.08Å; E413-N465 HydrophobicContact CG-CB 4.04Å; V463-N465 HydrophobicContact CG1-CB 4.41Å; N465-A469 WeakPolarHBondContact OD1-CB 3.3Å; N465-P470 PolarHBondContact ND2-O 2.96Å
466	Q	90.9	Very high	92.6	Very high	156 Å²	156	51.2 Å²	51.2	73%	0.729	28%	0.284	S	S	*	.			trans	-69.5	153.3	-176	-65.5	-173.6	-1.4	0	0	111.2	V464 N468 A469	V464-Q466 PolarHBondContact O-N 3.45Å; Q466-N468 VanDerWaalsContact C-N 3.3Å; Q466-N468 PolarHBondContact O-N 2.82Å; Q466-A469 HydrophobicContact CB-CB 4.15Å; Q466-A469 WeakPolarHBondContact O-CB 3.45Å; Q466-A469 PolarHBondContact O-N 3.21Å
467	H	86.9	Confident	92.5	Very high	62 Å²	62	51.1 Å²	51.1	29%	0.287	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-41.7	-173.2	-171.9	60.4	0	0	0	113.9	S27 L29 Q507	S27-H467 PolarHBondContact OG-ND1 3.04Å; L29-H467 HydrophobicContact CB-CB 4.44Å; H467-Q507 PolarHBondContact NE2-NE2 2.79Å
468	N	87.6	Confident	92.5	Very high	147 Å²	147	51.4 Å²	51.4	79%	0.786	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	6.6	-178.4	-60.6	-22.6	0	0	0	113.2	Q466	Q466-N468 VanDerWaalsContact C-N 3.3Å; Q466-N468 PolarHBondContact O-N 2.82Å
469	A	89.9	Confident	92.5	Very high	29 Å²	29	51.4 Å²	51.4	24%	0.24	29%	0.287	C	S	.	.	S	Bend	trans	-75.2	145.4	178	0	0	0	0	0	110.1	N465 Q466	N465-A469 WeakPolarHBondContact OD1-CB 3.3Å; Q466-A469 HydrophobicContact CB-CB 4.15Å; Q466-A469 WeakPolarHBondContact O-CB 3.45Å; Q466-A469 PolarHBondContact O-N 3.21Å
470	P	90.8	Very high	92.5	Very high	112 Å²	112	51.4 Å²	51.4	73%	0.727	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-62.8	158.8	177.5	28.3	-35.4	0	0	0	111	N465	N465-P470 PolarHBondContact ND2-O 2.96Å
471	I	89.9	Confident	92.5	Very high	74 Å²	74	51.5 Å²	51.5	38%	0.379	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-55	132.8	170	-67.3	178.1	0	0	0	108.6	W503 D505	I471-W503 HydrophobicContact CG2-CB 3.8Å; I471-W503 HydrophobicContact CG2-CG 4.42Å; I471-D505 HydrophobicContact CD1-CB 4.44Å
472	P	86.5	Confident	92.5	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.058	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-54.5	148.4	-179.1	-31.5	39.7	0	0	0	113.5	E413 G474 G475 W503	E413-P472 HydrophobicContact CB-CG 4.25Å; E413-P472 HydrophobicContact CG-CB 4.26Å; E413-P472 HydrophobicContact CG-CG 3.59Å; P472-G474 PolarHBondContact O-N 3.34Å; P472-G475 PolarHBondContact O-N 3.19Å; P472-W503 HydrophobicContact CG-CD2 4.39Å; P472-W503 HydrophobicContact CG-CG 4.3Å; P472-W503 HydrophobicContact CG-CZ2 4.5Å
473	Q	77.8	Confident	92.5	Very high	136 Å²	136	50.4 Å²	50.4	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	133.2	179.1	-174.6	178.7	3.9	0	0	110.7	Y89 G475	Y89-Q473 PolarHBondContact OH-O 3.49Å; Q473-G475 VanDerWaalsContact C-N 3.31Å
474	G	80.8	Confident	92.6	Very high	69 Å²	69	52.9 Å²	52.9	71%	0.711	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-4.9	-174.9	0	0	0	0	0	114.7	P472 R476	P472-G474 PolarHBondContact O-N 3.34Å; G474-R476 PolarHBondContact O-N 3.37Å
475	G	91.3	Very high	92.7	Very high	29 Å²	29	51.2 Å²	51.2	30%	0.299	28%	0.283	S	S	.	.	S	Bend	trans	67.2	6.4	172.3	0	0	0	0	0	115	P472 Q473 W503	P472-G475 PolarHBondContact O-N 3.19Å; Q473-G475 VanDerWaalsContact C-N 3.31Å; G475-W503 PolarHBondContact O-N 3.08Å
476	R	94.4	Very high	92.8	Very high	151 Å²	151	50.7 Å²	50.7	57%	0.57	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	141.8	-174.9	-61.9	-176.5	179.2	167.2	5.6	110.8	G474 A500 R501 N502 W503	G474-R476 PolarHBondContact O-N 3.37Å; R476-A500 HydrophobicContact CB-CB 4.36Å; R476-R501 CarbonylContact C-O 3.51Å; R476-R501 VanDerWaalsContact CA-O 3.24Å; R476-R501 WeakPolarHBondContact CA-O 3.39Å; R476-N502 VanDerWaalsContact CG-OD1 3.29Å; R476-N502 WeakPolarHBondContact CG-OD1 3.36Å; R476-N502 PolarHBondContact NE-OD1 3.18Å; R476-W503 VanDerWaalsContact C-CD1 3.41Å; R476-W503 PolarHBondContact O-NE1 2.97Å
477	G	96.4	Very high	93.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.9	167.3	0	0	0	0	0	109.3	W24 A500 R501 W503	W24-G477 WeakPolarHBondContact CZ3-O 3.15Å; G477-A500 CarbonylContact O-C 3.53Å; G477-A500 WeakPolarHBondContact O-CA 3.35Å; G477-R501 PolarHBondContact N-O 2.76Å; G477-R501 PolarHBondContact O-N 2.89Å; G477-W503 VanDerWaalsContact N-NE1 3.11Å
478	A	98.3	Very high	93.5	Very high	6 Å²	6	41.4 Å²	41.4	5%	0.05	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.9	177.6	0	0	0	0	0	112.1	L73 N86 F87 S411 I499	L73-A478 HydrophobicContact CD1-CB 3.94Å; N86-A478 WeakPolarHBondContact ND2-CB 3.3Å; F87-A478 HydrophobicContact CE1-CB 3.95Å; F87-A478 WeakPolarHBondContact CE1-O 3.27Å; F87-A478 HydrophobicContact CZ-CB 4.08Å; S411-A478 PolarHBondContact N-O 2.93Å; S411-A478 PolarHBondContact OG-N 3.01Å; S411-A478 PolarHBondContact OG-O 3.1Å; S411-A478 VanDerWaalsContact OG-O 3.07Å; A478-I499 VanDerWaalsContact CA-O 3.28Å; A478-I499 WeakPolarHBondContact CA-O 3.45Å
479	I	98.8	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.8	173.2	-56.9	174.7	0	0	0	107.9	F19 W24 I408 K409 T410 I414 F461 F481 T498 I499	F19-I479 HydrophobicContact CE1-CD1 4.1Å; F19-I479 HydrophobicContact CZ-CD1 4.04Å; W24-I479 HydrophobicContact CH2-CD1 3.55Å; W24-I479 HydrophobicContact CH2-CG1 3.92Å; W24-I479 HydrophobicContact CZ2-CD1 4.03Å; W24-I479 HydrophobicContact CZ3-CD1 4.39Å; I408-I479 HydrophobicContact CG2-CG2 3.81Å; K409-I479 CarbonylContact O-C 3.5Å; K409-I479 WeakPolarHBondContact O-CA 3.28Å; T410-I479 HydrophobicContact CG2-CG1 4.22Å; T410-I479 HydrophobicContact CG2-CG2 4.3Å; I414-I479 HydrophobicContact CD1-CG1 4.38Å; F461-I479 HydrophobicContact CD1-CD1 4.12Å; F461-I479 HydrophobicContact CD2-CD1 4.27Å; F461-I479 HydrophobicContact CE1-CD1 3.8Å; F461-I479 HydrophobicContact CE1-CG2 4.27Å; F461-I479 HydrophobicContact CE2-CD1 3.98Å; F461-I479 HydrophobicContact CG-CD1 4.34Å; F461-I479 HydrophobicContact CZ-CD1 3.73Å; F461-I479 HydrophobicContact CZ-CG2 4.24Å; I479-F481 HydrophobicContact CB-CE2 4.31Å; I479-F481 HydrophobicContact CG2-CD2 4.24Å; I479-F481 HydrophobicContact CG2-CE1 4.12Å; I479-F481 HydrophobicContact CG2-CE2 3.63Å; I479-F481 HydrophobicContact CG2-CZ 3.57Å; I479-T498 WeakPolarHBondContact O-CA 3.28Å; I479-I499 HydrophobicContact CB-CD1 3.91Å; I479-I499 HydrophobicContact CB-CG1 4.19Å; I479-I499 HydrophobicContact CD1-CD1 4.28Å; I479-I499 HydrophobicContact CG1-CD1 4.24Å; I479-I499 PolarHBondContact N-O 3.18Å; I479-I499 PolarHBondContact O-N 3.38Å
480	Q	98.8	Very high	93.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.7	174.9	176.8	176.2	89.8	0	0	110	V69 F87 I408 K409 V482 V496 T497 T498	V69-Q480 PolarHBondContact O-NE2 2.9Å; F87-Q480 HydrophobicContact CE1-CB 4.47Å; F87-Q480 HydrophobicContact CE2-CB 3.8Å; F87-Q480 HydrophobicContact CZ-CB 3.46Å; F87-Q480 VanDerWaalsContact CZ-CB 3.46Å; I408-Q480 WeakPolarHBondContact CA-O 3.32Å; K409-Q480 HydrophobicContact CB-CB 4.46Å; K409-Q480 PolarHBondContact N-O 2.89Å; K409-Q480 PolarHBondContact O-N 2.84Å; Q480-V482 HydrophobicContact CG-CG2 3.93Å; Q480-V496 HydrophobicContact CG-CG1 4.02Å; Q480-T497 CarbonylContact C-O 3.6Å; Q480-T497 WeakPolarHBondContact CA-O 3.33Å; Q480-T498 HydrophobicContact CB-CG2 4.26Å; Q480-T498 WeakPolarHBondContact CG-OG1 3.35Å; Q480-T498 PolarHBondContact NE2-OG1 3.22Å
481	F	98.9	Very high	94	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.8	174.1	-52.6	-94.2	0	0	0	108.3	F42 L406 I408 I459 F461 I479 V496 T497 I499	F42-F481 HydrophobicContact CB-CE1 4.46Å; F42-F481 AromaticContact CD1-CD1 3.76Å; F42-F481 HydrophobicContact CD1-CD1 3.76Å; F42-F481 HydrophobicContact CD1-CE1 4.23Å; F42-F481 HydrophobicContact CD1-CG 4.23Å; F42-F481 HydrophobicContact CD2-CD1 4.38Å; F42-F481 HydrophobicContact CD2-CD2 4.43Å; F42-F481 HydrophobicContact CD2-CG 4.32Å; F42-F481 HydrophobicContact CE1-CB 3.72Å; F42-F481 AromaticContact CE1-CD1 3.81Å; F42-F481 HydrophobicContact CE1-CD1 3.81Å; F42-F481 AromaticContact CE1-CG 3.9Å; F42-F481 HydrophobicContact CE1-CG 3.9Å; F42-F481 HydrophobicContact CE2-CB 4.11Å; F42-F481 HydrophobicContact CE2-CD1 4.44Å; F42-F481 HydrophobicContact CE2-CD2 4.2Å; F42-F481 HydrophobicContact CE2-CG 4.01Å; F42-F481 HydrophobicContact CG-CD1 4.06Å; F42-F481 HydrophobicContact CG-CE1 4.16Å; F42-F481 HydrophobicContact CG-CG 4.43Å; F42-F481 HydrophobicContact CZ-CB 3.48Å; F42-F481 VanDerWaalsContact CZ-CB 3.48Å; F42-F481 HydrophobicContact CZ-CD1 4.16Å; F42-F481 HydrophobicContact CZ-CD2 4.4Å; F42-F481 AromaticContact CZ-CG 3.78Å; F42-F481 HydrophobicContact CZ-CG 3.78Å; L406-F481 HydrophobicContact CD1-CB 4.15Å; L406-F481 HydrophobicContact CD1-CD1 4.46Å; I408-F481 HydrophobicContact CD1-CD1 3.79Å; I408-F481 HydrophobicContact CD1-CE1 3.84Å; I408-F481 HydrophobicContact CG1-CD1 3.81Å; I408-F481 HydrophobicContact CG1-CE1 4.28Å; I408-F481 HydrophobicContact CG2-CD1 4.34Å; I408-F481 HydrophobicContact CG2-CE1 4.32Å; I459-F481 HydrophobicContact CG1-CE1 4.37Å; F461-F481 HydrophobicContact CZ-CE1 4.33Å; F461-F481 HydrophobicContact CZ-CZ 4.24Å; I479-F481 HydrophobicContact CB-CE2 4.31Å; I479-F481 HydrophobicContact CG2-CD2 4.24Å; I479-F481 HydrophobicContact CG2-CE1 4.12Å; I479-F481 HydrophobicContact CG2-CE2 3.63Å; I479-F481 HydrophobicContact CG2-CZ 3.57Å; F481-V496 WeakPolarHBondContact O-CA 3.41Å; F481-T497 HydrophobicContact CD2-CG2 4.21Å; F481-T497 PolarHBondContact N-O 3.44Å; F481-T497 PolarHBondContact O-N 2.92Å; F481-I499 HydrophobicContact CE2-CG1 4.14Å
482	V	98.9	Very high	94.3	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	105.9	178.8	-176	0	0	0	0	108.5	V69 L406 E407 Q480 Q484 I494 R495 V496	V69-V482 HydrophobicContact CG2-CG2 4.04Å; L406-V482 WeakPolarHBondContact CA-O 3.32Å; E407-V482 HydrophobicContact CB-CB 4.45Å; E407-V482 PolarHBondContact N-O 2.8Å; E407-V482 PolarHBondContact O-N 3.28Å; Q480-V482 HydrophobicContact CG-CG2 3.93Å; V482-Q484 HydrophobicContact CG1-CG 4.4Å; V482-I494 HydrophobicContact CG1-CG2 3.72Å; V482-R495 CarbonylContact C-O 3.58Å; V482-R495 WeakPolarHBondContact CA-O 3.28Å; V482-V496 HydrophobicContact CG1-CG2 4.33Å; V482-V496 HydrophobicContact CG2-CG2 4.45Å
483	T	98.8	Very high	94.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	109.1	179	-56.6	0	0	0	0	110.4	P44 T405 L406 I494 R495	P44-T483 HydrophobicContact CB-CG2 4.11Å; P44-T483 WeakPolarHBondContact CB-OG1 3.21Å; T405-T483 CarbonylContact O-C 3.59Å; T405-T483 WeakPolarHBondContact O-CA 3.32Å; L406-T483 WeakPolarHBondContact CD1-OG1 3.42Å; T483-I494 CarbonylContact O-C 3.48Å; T483-I494 WeakPolarHBondContact O-CA 3.38Å; T483-R495 PolarHBondContact N-O 2.89Å; T483-R495 PolarHBondContact O-N 2.86Å
484	Q	98.4	Very high	95.7	Very high	57 Å²	57	27.5 Å²	27.5	27%	0.266	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.2	174.8	-53.8	178.6	42.9	0	0	109.8	G404 T405 V482 R492 R493 I494	G404-Q484 CarbonylContact C-O 3.52Å; G404-Q484 VanDerWaalsContact CA-O 3.23Å; G404-Q484 WeakPolarHBondContact CA-O 3.13Å; T405-Q484 PolarHBondContact N-O 2.77Å; T405-Q484 PolarHBondContact O-N 3.48Å; V482-Q484 HydrophobicContact CG1-CG 4.4Å; Q484-R492 PolarHBondContact O-NH2 3.03Å; Q484-R493 CarbonylContact C-O 3.59Å; Q484-R493 WeakPolarHBondContact CA-O 3.35Å; Q484-I494 HydrophobicContact CB-CG1 4.48Å; Q484-I494 HydrophobicContact CG-CD1 4.35Å; Q484-I494 HydrophobicContact CG-CG1 4.03Å; Q484-I494 HydrophobicContact CG-CG2 4.1Å
485	Y	97.9	Very high	96.6	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.02	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	165.1	-176	72.7	-75.9	0	0	0	112.2	L45 E118 H487 R492 R493	L45-Y485 HydrophobicContact CD1-CD2 4.21Å; L45-Y485 HydrophobicContact CD1-CE1 4.42Å; L45-Y485 HydrophobicContact CD1-CE2 3.77Å; L45-Y485 HydrophobicContact CD2-CD1 4Å; L45-Y485 HydrophobicContact CD2-CE1 3.49Å; L45-Y485 VanDerWaalsContact CD2-CE1 3.49Å; L45-Y485 HydrophobicContact CD2-CE2 4.33Å; E118-Y485 VanDerWaalsContact CD-OH 3.3Å; E118-Y485 WeakPolarHBondContact OE1-CE1 3.27Å; E118-Y485 PolarHBondContact OE1-OH 3.35Å; E118-Y485 PolarHBondContact OE2-OH 3.09Å; Y485-H487 HydrophobicContact CE2-CB 4.11Å; Y485-H487 AromaticContact CE2-CD2 4Å; Y485-R492 WeakPolarHBondContact O-CD 3.48Å; Y485-R493 HydrophobicContact CD1-CB 4.11Å; Y485-R493 HydrophobicContact CE1-CB 3.55Å; Y485-R493 PolarHBondContact N-O 2.9Å; Y485-R493 PolarHBondContact O-N 2.87Å
486	Q	97.2	Very high	96.9	Very high	13 Å²	13	24.5 Å²	24.5	6%	0.061	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.5	167.5	177	-178.1	7.7	0	0	108.1	M127 F402	M127-Q486 PolarHBondContact O-NE2 3.05Å; M127-Q486 VanDerWaalsContact O-NE2 3.14Å; F402-Q486 HydrophobicContact CB-CB 4.21Å; F402-Q486 PolarHBondContact N-O 2.88Å; F402-Q486 PolarHBondContact O-N 3.13Å
487	H	97	Very high	97.1	Very high	14 Å²	14	17.4 Å²	17.4	7%	0.065	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	155.1	171.3	-169	-96.2	0	0	0	110.1	Q397 Y485 S489 G490 Q491 R493	Q397-H487 PolarHBondContact OE1-CE1 3.06Å; Q397-H487 PolarHBondContact OE1-ND1 3.49Å; Y485-H487 HydrophobicContact CE2-CB 4.11Å; Y485-H487 AromaticContact CE2-CD2 4Å; H487-S489 PolarHBondContact ND1-N 2.79Å; H487-S489 PolarHBondContact ND1-OG 3.39Å; H487-S489 PolarHBondContact O-N 3.41Å; H487-G490 PolarHBondContact O-N 2.88Å; H487-Q491 HydrophobicContact CB-CB 4.4Å; H487-Q491 WeakPolarHBondContact CB-O 3.49Å; H487-Q491 PolarHBondContact N-O 2.83Å; H487-R493 HydrophobicContact CB-CG 4.13Å; H487-R493 VanDerWaalsContact CD2-CZ 3.47Å; H487-R493 PolarHBondContact CD2-NH1 3.42Å
488	S	96	Very high	97.2	Very high	9 Å²	9	17.8 Å²	17.8	6%	0.063	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.7	178.3	58.6	0	0	0	0	114.1	F398 M400 G490	F398-S488 PolarHBondContact N-OG 3.25Å; F398-S488 VanDerWaalsContact O-CB 3.25Å; F398-S488 WeakPolarHBondContact O-CB 3.48Å; F398-S488 PolarHBondContact O-OG 3.07Å; M400-S488 PolarHBondContact O-N 3.23Å; S488-G490 PolarHBondContact O-N 2.77Å
489	S	93.7	Very high	97.2	Very high	34 Å²	34	17.7 Å²	17.7	24%	0.238	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-4.9	171.7	62.7	0	0	0	0	114.6	H487 Q491	H487-S489 PolarHBondContact ND1-N 2.79Å; H487-S489 PolarHBondContact ND1-OG 3.39Å; H487-S489 PolarHBondContact O-N 3.41Å; S489-Q491 VanDerWaalsContact C-N 3.27Å; S489-Q491 PolarHBondContact O-N 3.08Å; S489-Q491 PolarHBondContact OG-OE1 2.71Å
490	G	90.9	Very high	97.2	Very high	12 Å²	12	18.9 Å²	18.9	12%	0.124	10%	0.096	C	C	.	.	S	Bend	trans	85.3	-8.3	-173.1	0	0	0	0	0	114.2	H487 S488	H487-G490 PolarHBondContact O-N 2.88Å; S488-G490 PolarHBondContact O-N 2.77Å
491	Q	93.8	Very high	97.2	Very high	50 Å²	50	19.3 Å²	19.3	23%	0.234	10%	0.098	C	C	.	.			trans	-66.8	143.1	174.2	-70.1	175.4	-21.5	0	0	111.3	V120 H487 S489	V120-Q491 HydrophobicContact CG1-CB 4.39Å; V120-Q491 HydrophobicContact CG1-CG 4.38Å; H487-Q491 HydrophobicContact CB-CB 4.4Å; H487-Q491 WeakPolarHBondContact CB-O 3.49Å; H487-Q491 PolarHBondContact N-O 2.83Å; S489-Q491 VanDerWaalsContact C-N 3.27Å; S489-Q491 PolarHBondContact O-N 3.08Å; S489-Q491 PolarHBondContact OG-OE1 2.71Å
492	R	95.3	Very high	97.1	Very high	79 Å²	79	23 Å²	23	30%	0.298	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.6	166.5	-163.2	75.9	-176.3	166.6	5.3	108.6	V121 G403 Q484 Y485	V121-R492 HydrophobicContact CG2-CB 3.73Å; V121-R492 HydrophobicContact CG2-CG 3.78Å; V121-R492 WeakPolarHBondContact CG2-O 3.36Å; V121-R492 PolarHBondContact N-O 3.09Å; G403-R492 PolarHBondContact O-NH2 3.49Å; G403-R492 VanDerWaalsContact O-NH2 3.16Å; Q484-R492 PolarHBondContact O-NH2 3.03Å; Y485-R492 WeakPolarHBondContact O-CD 3.48Å
493	R	96.3	Very high	97	Very high	29 Å²	29	23.2 Å²	23.2	11%	0.109	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.2	179.4	-64.3	-162.6	-175.6	171.2	7.5	111.4	E118 Y119 V120 Q484 Y485 H487	E118-R493 HydrophobicContact CG-CB 4.23Å; E118-R493 WeakPolarHBondContact OE2-CD 3.27Å; E118-R493 IonicContact OE2-CZ 2.89Å; E118-R493 IonicContact OE2-NE 2.91Å; E118-R493 IonicContact OE2-NH1 3.88Å; E118-R493 PolarHBondContact OE2-NH1 2.86Å; Y119-R493 CarbonylContact O-C 3.23Å; Y119-R493 WeakPolarHBondContact O-CA 3.31Å; V120-R493 HydrophobicContact CG2-CG 4.27Å; Q484-R493 CarbonylContact C-O 3.59Å; Q484-R493 WeakPolarHBondContact CA-O 3.35Å; Y485-R493 HydrophobicContact CD1-CB 4.11Å; Y485-R493 HydrophobicContact CE1-CB 3.55Å; Y485-R493 PolarHBondContact N-O 2.9Å; Y485-R493 PolarHBondContact O-N 2.87Å; H487-R493 HydrophobicContact CB-CG 4.13Å; H487-R493 VanDerWaalsContact CD2-CZ 3.47Å; H487-R493 PolarHBondContact CD2-NH1 3.42Å
494	I	98.3	Very high	96.8	Very high	12 Å²	12	23.3 Å²	23.3	6%	0.062	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112.9	176.4	-52.8	-177.5	0	0	0	107.5	P58 E118 Y119 V121 V482 T483 Q484 V496	P58-I494 HydrophobicContact CG-CD1 3.97Å; E118-I494 CarbonylContact C-O 3.56Å; E118-I494 WeakPolarHBondContact CA-O 3.46Å; Y119-I494 WeakPolarHBondContact CD2-O 3.36Å; Y119-I494 PolarHBondContact N-O 3.05Å; Y119-I494 PolarHBondContact O-N 2.86Å; V121-I494 HydrophobicContact CG1-CD1 3.8Å; V121-I494 HydrophobicContact CG1-CG1 4.19Å; V121-I494 HydrophobicContact CG2-CD1 4.29Å; V121-I494 HydrophobicContact CG2-CG1 4.31Å; V482-I494 HydrophobicContact CG1-CG2 3.72Å; T483-I494 CarbonylContact O-C 3.48Å; T483-I494 WeakPolarHBondContact O-CA 3.38Å; Q484-I494 HydrophobicContact CB-CG1 4.48Å; Q484-I494 HydrophobicContact CG-CD1 4.35Å; Q484-I494 HydrophobicContact CG-CG1 4.03Å; Q484-I494 HydrophobicContact CG-CG2 4.1Å; I494-V496 HydrophobicContact CG2-CG2 3.99Å
495	R	98.4	Very high	96.3	Very high	32 Å²	32	22.8 Å²	22.8	12%	0.121	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.2	173.9	-162.7	134.3	-177.6	-178.8	-2.5	109.6	P44 L45 K46 I117 E118 V482 T483	P44-R495 VanDerWaalsContact O-CD 3.25Å; P44-R495 WeakPolarHBondContact O-CD 3.43Å; L45-R495 HydrophobicContact CD2-CB 4.48Å; K46-R495 VanDerWaalsContact O-CZ 3.31Å; K46-R495 PolarHBondContact O-NH1 3.47Å; K46-R495 PolarHBondContact O-NH2 3.48Å; I117-R495 CarbonylContact O-C 3.54Å; I117-R495 WeakPolarHBondContact O-CA 3.37Å; E118-R495 WeakPolarHBondContact OE1-CD 3.18Å; E118-R495 IonicContact OE1-NH1 2.71Å; V482-R495 CarbonylContact C-O 3.58Å; V482-R495 WeakPolarHBondContact CA-O 3.28Å; T483-R495 PolarHBondContact N-O 2.89Å; T483-R495 PolarHBondContact O-N 2.86Å
496	V	98.8	Very high	95.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.2	-178.6	-178.7	0	0	0	0	108.4	V69 S116 I117 Y119 Q480 F481 V482 I494	V69-V496 HydrophobicContact CB-CG1 4.09Å; V69-V496 HydrophobicContact CB-CG2 4.38Å; V69-V496 HydrophobicContact CG1-CG1 4.38Å; V69-V496 HydrophobicContact CG1-CG2 4.25Å; V69-V496 HydrophobicContact CG2-CG1 4.33Å; V69-V496 HydrophobicContact CG2-CG2 4Å; S116-V496 CarbonylContact C-O 3.54Å; S116-V496 VanDerWaalsContact CA-O 3.27Å; S116-V496 WeakPolarHBondContact CA-O 3.3Å; I117-V496 HydrophobicContact CG2-CB 4.12Å; I117-V496 PolarHBondContact N-O 2.89Å; I117-V496 PolarHBondContact O-N 3.44Å; Y119-V496 HydrophobicContact CD2-CG2 4.08Å; Y119-V496 HydrophobicContact CE2-CB 4.18Å; Y119-V496 HydrophobicContact CE2-CG2 3.72Å; Q480-V496 HydrophobicContact CG-CG1 4.02Å; F481-V496 WeakPolarHBondContact O-CA 3.41Å; V482-V496 HydrophobicContact CG1-CG2 4.33Å; V482-V496 HydrophobicContact CG2-CG2 4.45Å; I494-V496 HydrophobicContact CG2-CG2 3.99Å
497	T	98.8	Very high	94.7	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.5	172.3	-64.6	0	0	0	0	108.3	D15 F42 S115 S116 Q480 F481 I499	D15-T497 HydrophobicContact CB-CG2 3.84Å; F42-T497 HydrophobicContact CE2-CG2 4.32Å; S115-T497 CarbonylContact O-C 3.56Å; S115-T497 WeakPolarHBondContact O-CA 3.4Å; S116-T497 WeakPolarHBondContact OG-CB 3.19Å; S116-T497 VanDerWaalsContact OG-CG2 3.25Å; S116-T497 WeakPolarHBondContact OG-CG2 3.32Å; S116-T497 PolarHBondContact OG-OG1 2.78Å; Q480-T497 CarbonylContact C-O 3.6Å; Q480-T497 WeakPolarHBondContact CA-O 3.33Å; F481-T497 HydrophobicContact CD2-CG2 4.21Å; F481-T497 PolarHBondContact N-O 3.44Å; F481-T497 PolarHBondContact O-N 2.92Å; T497-I499 HydrophobicContact CG2-CG2 4.06Å
498	T	98.8	Very high	94.2	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.3	177	-51.6	0	0	0	0	110.3	N71 L73 F87 S115 I479 Q480	N71-T498 HydrophobicContact CB-CG2 3.93Å; N71-T498 WeakPolarHBondContact CB-OG1 3.15Å; N71-T498 WeakPolarHBondContact OD1-CG2 3.15Å; L73-T498 HydrophobicContact CD1-CG2 3.81Å; L73-T498 HydrophobicContact CG-CG2 4.37Å; F87-T498 HydrophobicContact CZ-CG2 4.5Å; S115-T498 PolarHBondContact O-N 3Å; I479-T498 WeakPolarHBondContact O-CA 3.28Å; Q480-T498 HydrophobicContact CB-CG2 4.26Å; Q480-T498 WeakPolarHBondContact CG-OG1 3.35Å; Q480-T498 PolarHBondContact NE2-OG1 3.22Å
499	I	98.4	Very high	93.9	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	158.5	179.7	63.6	85	0	0	0	111.4	D15 V17 F19 W24 A478 I479 F481 T497	D15-I499 HydrophobicContact CB-CG2 4.11Å; V17-I499 HydrophobicContact CG1-CG2 4.13Å; F19-I499 HydrophobicContact CE2-CD1 3.69Å; F19-I499 HydrophobicContact CE2-CG1 4.04Å; F19-I499 HydrophobicContact CZ-CD1 3.58Å; F19-I499 HydrophobicContact CZ-CG1 4.19Å; W24-I499 HydrophobicContact CH2-CD1 3.93Å; W24-I499 HydrophobicContact CZ2-CD1 4.26Å; A478-I499 VanDerWaalsContact CA-O 3.28Å; A478-I499 WeakPolarHBondContact CA-O 3.45Å; I479-I499 HydrophobicContact CB-CD1 3.91Å; I479-I499 HydrophobicContact CB-CG1 4.19Å; I479-I499 HydrophobicContact CD1-CD1 4.28Å; I479-I499 HydrophobicContact CG1-CD1 4.24Å; I479-I499 PolarHBondContact N-O 3.18Å; I479-I499 PolarHBondContact O-N 3.38Å; F481-I499 HydrophobicContact CE2-CG1 4.14Å; T497-I499 HydrophobicContact CG2-CG2 4.06Å
500	A	98.1	Very high	93.7	Very high	25 Å²	25	37.6 Å²	37.6	21%	0.207	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.7	168	0	0	0	0	0	111.1	L73 R476 G477	L73-A500 HydrophobicContact CD1-CB 3.75Å; L73-A500 HydrophobicContact CD2-CB 4.2Å; R476-A500 HydrophobicContact CB-CB 4.36Å; G477-A500 CarbonylContact O-C 3.53Å; G477-A500 WeakPolarHBondContact O-CA 3.35Å
501	R	97.9	Very high	93.8	Very high	10 Å²	10	44.7 Å²	44.7	4%	0.038	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149	170.9	-62.7	-60.6	-178.2	-103.2	7.7	109.4	N11 N22 W24 R476 G477	N11-R501 PolarHBondContact OD1-NH1 3.46Å; N11-R501 VanDerWaalsContact OD1-NH1 3.17Å; N11-R501 PolarHBondContact OD1-NH2 3.16Å; N22-R501 WeakPolarHBondContact O-CB 3.33Å; N22-R501 VanDerWaalsContact O-CD 3.25Å; N22-R501 WeakPolarHBondContact O-CD 3.44Å; N22-R501 PolarHBondContact OD1-NE 3.16Å; W24-R501 HydrophobicContact CD2-CB 3.76Å; W24-R501 HydrophobicContact CD2-CG 4.4Å; W24-R501 HydrophobicContact CE3-CB 3.99Å; W24-R501 HydrophobicContact CG-CB 4.37Å; W24-R501 HydrophobicContact CH2-CB 3.85Å; W24-R501 HydrophobicContact CH2-CG 3.91Å; W24-R501 HydrophobicContact CZ2-CB 3.6Å; W24-R501 HydrophobicContact CZ2-CG 3.38Å; W24-R501 HydrophobicContact CZ3-CB 4.03Å; R476-R501 CarbonylContact C-O 3.51Å; R476-R501 VanDerWaalsContact CA-O 3.24Å; R476-R501 WeakPolarHBondContact CA-O 3.39Å; G477-R501 PolarHBondContact N-O 2.76Å; G477-R501 PolarHBondContact O-N 2.89Å
502	N	97.2	Very high	93.8	Very high	78 Å²	78	45.8 Å²	45.8	42%	0.417	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	145.3	-178.9	-65.7	-36.7	0	0	0	110.3	W24 R476	W24-N502 PolarHBondContact N-O 3.26Å; R476-N502 VanDerWaalsContact CG-OD1 3.29Å; R476-N502 WeakPolarHBondContact CG-OD1 3.36Å; R476-N502 PolarHBondContact NE-OD1 3.18Å
503	W	96.4	Very high	93.7	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.045	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	143.8	163.9	-66.4	116.7	0	0	0	109.7	W24 P25 E413 I414 V463 I471 P472 G475 R476 G477	W24-W503 HydrophobicContact CB-CE3 3.6Å; W24-W503 HydrophobicContact CB-CH2 4.42Å; W24-W503 HydrophobicContact CB-CZ3 3.52Å; W24-W503 HydrophobicContact CE3-CH2 4.07Å; W24-W503 HydrophobicContact CE3-CZ2 4.26Å; W24-W503 HydrophobicContact CE3-CZ3 4.26Å; W24-W503 HydrophobicContact CG-CZ3 4.47Å; W24-W503 CarbonylContact O-C 3.59Å; W24-W503 WeakPolarHBondContact O-CA 3.37Å; P25-W503 WeakPolarHBondContact O-CZ3 3.39Å; E413-W503 HydrophobicContact CB-CH2 4.28Å; E413-W503 HydrophobicContact CB-CZ2 3.94Å; I414-W503 HydrophobicContact CD1-CH2 3.82Å; I414-W503 HydrophobicContact CD1-CZ2 3.82Å; I414-W503 HydrophobicContact CG1-CH2 3.51Å; I414-W503 HydrophobicContact CG1-CZ2 3.78Å; V463-W503 HydrophobicContact CG1-CH2 4.29Å; V463-W503 HydrophobicContact CG1-CZ3 4.03Å; V463-W503 HydrophobicContact CG2-CH2 4.27Å; V463-W503 HydrophobicContact CG2-CZ3 3.96Å; I471-W503 HydrophobicContact CG2-CB 3.8Å; I471-W503 HydrophobicContact CG2-CG 4.42Å; P472-W503 HydrophobicContact CG-CD2 4.39Å; P472-W503 HydrophobicContact CG-CG 4.3Å; P472-W503 HydrophobicContact CG-CZ2 4.5Å; G475-W503 PolarHBondContact O-N 3.08Å; R476-W503 VanDerWaalsContact C-CD1 3.41Å; R476-W503 PolarHBondContact O-NE1 2.97Å; G477-W503 VanDerWaalsContact N-NE1 3.11Å
504	A	94.4	Very high	93.7	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138	172	0	0	0	0	0	110.3	V23 W24 S26 A506 Q509 I513	V23-A504 HydrophobicContact CG1-CB 3.45Å; V23-A504 VanDerWaalsContact CG1-CB 3.45Å; W24-A504 PolarHBondContact O-N 3.07Å; S26-A504 WeakPolarHBondContact CB-O 3.45Å; S26-A504 PolarHBondContact N-O 2.9Å; S26-A504 PolarHBondContact OG-O 2.96Å; A504-A506 PolarHBondContact O-N 3.3Å; A504-Q509 HydrophobicContact CB-CB 4.15Å; A504-I513 HydrophobicContact CB-CD1 4.02Å; A504-I513 HydrophobicContact CB-CG1 3.73Å
505	D	87.8	Confident	93.6	Very high	46 Å²	46	42.8 Å²	42.8	25%	0.246	23%	0.23	C	C	.	.			trans	-76.6	111.4	167.2	177.6	7.9	0	0	0	108.9	I471 Q507 T508 Q509	I471-D505 HydrophobicContact CD1-CB 4.44Å; D505-Q507 PolarHBondContact O-N 3.1Å; D505-Q507 VanDerWaalsContact O-N 3.17Å; D505-Q507 PolarHBondContact OD1-N 3.43Å; D505-T508 PolarHBondContact O-N 3.49Å; D505-Q509 WeakPolarHBondContact O-CA 3.31Å; D505-Q509 VanDerWaalsContact O-CB 3.32Å; D505-Q509 WeakPolarHBondContact O-CB 3.49Å; D505-Q509 PolarHBondContact O-N 3.01Å
506	A	80.4	Confident	93.6	Very high	12 Å²	12	41.3 Å²	41.3	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-19.9	-176.6	0	0	0	0	0	113.2	E30 A504 T508 I513	E30-A506 HydrophobicContact CB-CB 3.83Å; E30-A506 HydrophobicContact CG-CB 3.77Å; A504-A506 PolarHBondContact O-N 3.3Å; A506-T508 VanDerWaalsContact C-N 3.32Å; A506-I513 HydrophobicContact CB-CD1 3.87Å
507	Q	80.9	Confident	93.5	Very high	133 Å²	133	41.5 Å²	41.5	62%	0.621	23%	0.225	S	C	*	.	H	α-helix	trans	-68.3	-33.6	177.1	-64.1	-173.7	1	0	0	112.3	H467 D505	H467-Q507 PolarHBondContact NE2-NE2 2.79Å; D505-Q507 PolarHBondContact O-N 3.1Å; D505-Q507 VanDerWaalsContact O-N 3.17Å; D505-Q507 PolarHBondContact OD1-N 3.43Å
508	T	87.5	Confident	93.5	Very high	108 Å²	108	41.6 Å²	41.6	66%	0.663	23%	0.225	S	C	*	.	H	α-helix	trans	-113.8	-19.2	-174.5	52.9	0	0	0	0	113	D505 A506	D505-T508 PolarHBondContact O-N 3.49Å; A506-T508 VanDerWaalsContact C-N 3.32Å
509	Q	89.1	Confident	93.5	Very high	71 Å²	71	42.5 Å²	42.5	33%	0.332	23%	0.229	S	C	.	.	H	α-helix	trans	-131.2	28.6	-169.2	-57.1	-174.1	-60.5	0	0	113.5	A504 D505 Q511 N512 I513	A504-Q509 HydrophobicContact CB-CB 4.15Å; D505-Q509 WeakPolarHBondContact O-CA 3.31Å; D505-Q509 VanDerWaalsContact O-CB 3.32Å; D505-Q509 WeakPolarHBondContact O-CB 3.49Å; D505-Q509 PolarHBondContact O-N 3.01Å; Q509-Q511 PolarHBondContact O-N 2.81Å; Q509-Q511 VanDerWaalsContact O-N 3.17Å; Q509-N512 HydrophobicContact CB-CB 4.32Å; Q509-N512 PolarHBondContact NE2-ND2 3.28Å; Q509-N512 WeakPolarHBondContact O-CB 3.39Å; Q509-N512 PolarHBondContact O-N 3.18Å; Q509-I513 PolarHBondContact O-N 3.29Å
510	I	90.3	Very high	93.5	Very high	63 Å²	63	45.4 Å²	45.4	32%	0.323	24%	0.242	S	C	.	.	H	α-helix	trans	-55.8	-33.2	176.8	-164.1	165	0	0	0	112.7	N512 I513 A514 F557	I510-N512 VanDerWaalsContact C-N 3.32Å; I510-N512 PolarHBondContact O-N 3.4Å; I510-I513 PolarHBondContact O-N 3.48Å; I510-A514 WeakPolarHBondContact O-CB 3.45Å; I510-A514 PolarHBondContact O-N 3.19Å; I510-F557 HydrophobicContact CG1-CE1 4.44Å
511	Q	92.2	Very high	93.5	Very high	161 Å²	161	44.2 Å²	44.2	75%	0.752	23%	0.233	S	C	*	.	H	α-helix	trans	-62.7	-37.3	176.2	-68.1	177.2	-13.3	0	0	112.2	Q509 A514 A515	Q509-Q511 PolarHBondContact O-N 2.81Å; Q509-Q511 VanDerWaalsContact O-N 3.17Å; Q511-A514 PolarHBondContact O-N 3.17Å; Q511-A515 VanDerWaalsContact O-CB 3.3Å; Q511-A515 WeakPolarHBondContact O-CB 3.4Å; Q511-A515 PolarHBondContact O-N 3.03Å
512	N	93.7	Very high	93.6	Very high	73 Å²	73	43.7 Å²	43.7	39%	0.39	23%	0.231	S	C	.	.	H	α-helix	trans	-67.8	-38.3	176.7	-66.9	-19.4	0	0	0	111.4	Q509 I510 S516	Q509-N512 HydrophobicContact CB-CB 4.32Å; Q509-N512 PolarHBondContact NE2-ND2 3.28Å; Q509-N512 WeakPolarHBondContact O-CB 3.39Å; Q509-N512 PolarHBondContact O-N 3.18Å; I510-N512 VanDerWaalsContact C-N 3.32Å; I510-N512 PolarHBondContact O-N 3.4Å; N512-S516 WeakPolarHBondContact O-CB 3.11Å; N512-S516 PolarHBondContact O-N 3.49Å
513	I	94.8	Very high	93.6	Very high	3 Å²	3	40 Å²	40	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-49.6	175.6	-60.3	173.6	0	0	0	109.6	W21 V23 P25 M34 A504 A506 Q509 I510 A515 S516	W21-I513 HydrophobicContact CE3-CG2 3.87Å; W21-I513 HydrophobicContact CZ3-CG2 4.05Å; V23-I513 HydrophobicContact CG1-CG1 4.18Å; P25-I513 HydrophobicContact CB-CD1 4.23Å; M34-I513 HydrophobicContact CE-CG2 3.36Å; M34-I513 HydrophobicContact SD-CG2 3.89Å; A504-I513 HydrophobicContact CB-CD1 4.02Å; A504-I513 HydrophobicContact CB-CG1 3.73Å; A506-I513 HydrophobicContact CB-CD1 3.87Å; Q509-I513 PolarHBondContact O-N 3.29Å; I510-I513 PolarHBondContact O-N 3.48Å; I513-A515 PolarHBondContact O-N 3.23Å; I513-S516 WeakPolarHBondContact O-CB 3.49Å; I513-S516 PolarHBondContact O-N 2.86Å; I513-S516 PolarHBondContact O-OG 3.26Å
514	A	95.8	Very high	93.8	Very high	20 Å²	20	39.4 Å²	39.4	17%	0.165	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-44.5	179.7	0	0	0	0	0	112.3	I510 Q511 S516 F517 F557 F574	I510-A514 WeakPolarHBondContact O-CB 3.45Å; I510-A514 PolarHBondContact O-N 3.19Å; Q511-A514 PolarHBondContact O-N 3.17Å; A514-S516 PolarHBondContact O-N 3.42Å; A514-F517 WeakPolarHBondContact O-CB 3.41Å; A514-F517 PolarHBondContact O-N 3.48Å; A514-F557 HydrophobicContact CB-CD1 3.93Å; A514-F557 HydrophobicContact CB-CE1 4.06Å; A514-F574 HydrophobicContact CB-CE2 4.23Å; A514-F574 HydrophobicContact CB-CZ 4.42Å; A514-F574 WeakPolarHBondContact O-CE2 3.5Å
515	A	96.1	Very high	94	Very high	34 Å²	34	39.4 Å²	39.4	28%	0.281	21%	0.208	S	C	.	.	H	α-helix	trans	-65.9	-20.7	177.9	0	0	0	0	0	113.5	Y4 Q511 I513	Y4-A515 HydrophobicContact CD2-CB 4.14Å; Y4-A515 WeakPolarHBondContact CD2-O 3.45Å; Y4-A515 HydrophobicContact CE2-CB 3.54Å; Y4-A515 WeakPolarHBondContact CE2-O 3.43Å; Q511-A515 VanDerWaalsContact O-CB 3.3Å; Q511-A515 WeakPolarHBondContact O-CB 3.4Å; Q511-A515 PolarHBondContact O-N 3.03Å; I513-A515 PolarHBondContact O-N 3.23Å
516	S	97.5	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	1	179.8	81.8	0	0	0	0	114.5	N22 V23 N512 I513 A514	N22-S516 PolarHBondContact N-O 3.2Å; N22-S516 PolarHBondContact N-OG 2.82Å; N22-S516 PolarHBondContact ND2-O 3.18Å; V23-S516 WeakPolarHBondContact CB-OG 3.49Å; V23-S516 PolarHBondContact N-OG 3.19Å; N512-S516 WeakPolarHBondContact O-CB 3.11Å; N512-S516 PolarHBondContact O-N 3.49Å; I513-S516 WeakPolarHBondContact O-CB 3.49Å; I513-S516 PolarHBondContact O-N 2.86Å; I513-S516 PolarHBondContact O-OG 3.26Å; A514-S516 PolarHBondContact O-N 3.42Å
517	F	98.4	Very high	95.4	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.026	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-68.3	131.1	180	-175.8	-116.1	0	0	0	110.6	S20 W21 V36 A514 Q519 A522 L553 T573 F574 Y577	S20-F517 VanDerWaalsContact O-CD2 3.3Å; S20-F517 WeakPolarHBondContact O-CD2 3.33Å; W21-F517 AromaticContact CD2-CD2 3.7Å; W21-F517 HydrophobicContact CD2-CD2 3.7Å; W21-F517 HydrophobicContact CD2-CE2 4.42Å; W21-F517 AromaticContact CE2-CD2 3.6Å; W21-F517 AromaticContact CE2-CE2 3.9Å; W21-F517 HydrophobicContact CE3-CB 3.82Å; W21-F517 AromaticContact CE3-CD2 3.64Å; W21-F517 HydrophobicContact CE3-CD2 3.64Å; W21-F517 HydrophobicContact CE3-CG 4.19Å; W21-F517 HydrophobicContact CH2-CB 4.21Å; W21-F517 AromaticContact CH2-CD2 3.4Å; W21-F517 HydrophobicContact CH2-CD2 3.4Å; W21-F517 AromaticContact CH2-CE2 3.94Å; W21-F517 HydrophobicContact CH2-CE2 3.94Å; W21-F517 AromaticContact CH2-CG 3.99Å; W21-F517 HydrophobicContact CH2-CG 3.99Å; W21-F517 AromaticContact CZ2-CD2 3.47Å; W21-F517 HydrophobicContact CZ2-CD2 3.47Å; W21-F517 VanDerWaalsContact CZ2-CD2 3.47Å; W21-F517 AromaticContact CZ2-CE2 3.64Å; W21-F517 HydrophobicContact CZ2-CE2 3.64Å; W21-F517 HydrophobicContact CZ2-CG 4.48Å; W21-F517 HydrophobicContact CZ3-CB 3.58Å; W21-F517 AromaticContact CZ3-CD2 3.5Å; W21-F517 HydrophobicContact CZ3-CD2 3.5Å; W21-F517 HydrophobicContact CZ3-CE2 4.46Å; W21-F517 AromaticContact CZ3-CG 3.86Å; W21-F517 HydrophobicContact CZ3-CG 3.86Å; V36-F517 HydrophobicContact CB-CE2 4.37Å; V36-F517 HydrophobicContact CG1-CE2 4.48Å; V36-F517 HydrophobicContact CG2-CE2 4.3Å; V36-F517 HydrophobicContact CG2-CZ 4.47Å; A514-F517 WeakPolarHBondContact O-CB 3.41Å; A514-F517 PolarHBondContact O-N 3.48Å; F517-Q519 HydrophobicContact CD1-CB 4.06Å; F517-Q519 HydrophobicContact CE1-CB 3.71Å; F517-A522 HydrophobicContact CD2-CB 4.43Å; F517-A522 HydrophobicContact CE1-CB 4.3Å; F517-A522 HydrophobicContact CE2-CB 3.41Å; F517-A522 VanDerWaalsContact CE2-CB 3.41Å; F517-A522 HydrophobicContact CZ-CB 3.33Å; F517-L553 HydrophobicContact CZ-CD2 4.25Å; F517-T573 HydrophobicContact CB-CG2 3.97Å; F517-T573 WeakPolarHBondContact O-CG2 3.29Å; F517-F574 HydrophobicContact CB-CE1 4.01Å; F517-F574 HydrophobicContact CB-CE2 4.15Å; F517-F574 HydrophobicContact CB-CZ 3.61Å; F517-F574 AromaticContact CD1-CD1 3.4Å; F517-F574 HydrophobicContact CD1-CD1 3.4Å; F517-F574 HydrophobicContact CD1-CD2 4.42Å; F517-F574 AromaticContact CD1-CE1 3.2Å; F517-F574 HydrophobicContact CD1-CE1 3.2Å; F517-F574 HydrophobicContact CD1-CE2 4.26Å; F517-F574 HydrophobicContact CD1-CG 4.02Å; F517-F574 AromaticContact CD1-CZ 3.68Å; F517-F574 HydrophobicContact CD1-CZ 3.68Å; F517-F574 HydrophobicContact CD2-CE1 4.15Å; F517-F574 HydrophobicContact CD2-CZ 4.5Å; F517-F574 AromaticContact CE1-CD1 3.47Å; F517-F574 HydrophobicContact CE1-CD1 3.47Å; F517-F574 VanDerWaalsContact CE1-CD1 3.47Å; F517-F574 AromaticContact CE1-CE1 3.54Å; F517-F574 HydrophobicContact CE1-CE1 3.54Å; F517-F574 HydrophobicContact CE1-CG 4.34Å; F517-F574 HydrophobicContact CE1-CZ 4.44Å; F517-F574 HydrophobicContact CE2-CE1 4.42Å; F517-F574 HydrophobicContact CG-CD1 4.2Å; F517-F574 AromaticContact CG-CE1 3.53Å; F517-F574 HydrophobicContact CG-CE1 3.53Å; F517-F574 HydrophobicContact CG-CE2 4.48Å; F517-F574 AromaticContact CG-CZ 3.69Å; F517-F574 HydrophobicContact CG-CZ 3.69Å; F517-F574 HydrophobicContact CZ-CD1 4.33Å; F517-F574 HydrophobicContact CZ-CE1 4.14Å; F517-Y577 HydrophobicContact CE1-CD2 4.19Å; F517-Y577 AromaticContact CZ-CD2 3.98Å; F517-Y577 HydrophobicContact CZ-CD2 3.98Å; F517-Y577 HydrophobicContact CZ-CE2 4.2Å
518	D	98.5	Very high	96.2	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.027	16%	0.163	C	C	.	.			trans	-105.5	94.5	174.1	-174.4	-26.3	0	0	0	107.9	I8 R18 F19 S20 E520 A521 A522	I8-D518 HydrophobicContact CD1-CB 4.11Å; I8-D518 WeakPolarHBondContact CG2-OD2 3.31Å; R18-D518 IonicContact CZ-OD1 2.82Å; R18-D518 IonicContact CZ-OD2 3.61Å; R18-D518 VanDerWaalsContact CZ-OD2 3.3Å; R18-D518 IonicContact NE-OD1 3.56Å; R18-D518 IonicContact NE-OD2 2.89Å; R18-D518 PolarHBondContact NE-OD2 2.85Å; R18-D518 IonicContact NH2-OD1 3.61Å; R18-D518 PolarHBondContact NH2-OD1 3.26Å; R18-D518 IonicContact NH2-OD2 3.77Å; R18-D518 PolarHBondContact NH2-OD2 2.96Å; R18-D518 VanDerWaalsContact NH2-OD2 3.08Å; F19-D518 WeakPolarHBondContact O-CB 3.33Å; S20-D518 PolarHBondContact O-N 3.49Å; D518-E520 PolarHBondContact O-N 3.23Å; D518-E520 PolarHBondContact OD1-N 3.06Å; D518-A521 HydrophobicContact CB-CB 3.98Å; D518-A521 VanDerWaalsContact CG-CB 3.45Å; D518-A521 PolarHBondContact O-N 2.99Å; D518-A521 PolarHBondContact OD1-N 2.77Å; D518-A522 WeakPolarHBondContact O-CB 3.3Å; D518-A522 PolarHBondContact O-N 3.3Å
519	Q	98.1	Very high	96.7	Very high	26 Å²	26	25.9 Å²	25.9	12%	0.121	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-32.7	-175.8	56.7	-173.8	-24.9	0	0	113.5	F517 A523 E572 T573 F574	F517-Q519 HydrophobicContact CD1-CB 4.06Å; F517-Q519 HydrophobicContact CE1-CB 3.71Å; Q519-A523 VanDerWaalsContact O-CB 3.26Å; Q519-A523 WeakPolarHBondContact O-CB 3.29Å; Q519-A523 PolarHBondContact O-N 3.4Å; Q519-E572 PolarHBondContact NE2-O 3.14Å; Q519-T573 WeakPolarHBondContact CB-O 3.16Å; Q519-T573 WeakPolarHBondContact CG-O 3.5Å; Q519-T573 PolarHBondContact OE1-O 2.97Å; Q519-F574 PolarHBondContact OE1-O 3.18Å
520	E	98.6	Very high	97.1	Very high	65 Å²	65	22.5 Å²	22.5	30%	0.304	12%	0.119	S	C	.	.	H	α-helix	trans	-68.9	-52.4	177.1	-68.4	179.5	158.5	0	0	110.6	R18 D518 A522 A523 I524 F580 L612 L616	R18-E520 IonicContact CZ-OE2 2.78Å; R18-E520 IonicContact NH1-OE2 2.8Å; R18-E520 IonicContact NH2-OE2 3.55Å; R18-E520 PolarHBondContact NH2-OE2 3.49Å; D518-E520 PolarHBondContact O-N 3.23Å; D518-E520 PolarHBondContact OD1-N 3.06Å; E520-A522 VanDerWaalsContact C-N 3.33Å; E520-A522 PolarHBondContact O-N 3.07Å; E520-A523 PolarHBondContact O-N 2.87Å; E520-I524 WeakPolarHBondContact O-CG1 3.17Å; E520-I524 PolarHBondContact O-N 3.48Å; E520-I524 VanDerWaalsContact O-N 3.09Å; E520-F580 HydrophobicContact CG-CE2 4.13Å; E520-F580 HydrophobicContact CG-CZ 4.2Å; E520-L612 HydrophobicContact CB-CD1 4.06Å; E520-L612 HydrophobicContact CB-CD2 4.25Å; E520-L612 HydrophobicContact CB-CG 4.46Å; E520-L616 HydrophobicContact CB-CD1 3.95Å; E520-L616 HydrophobicContact CB-CD2 4.21Å; E520-L616 HydrophobicContact CG-CD1 3.83Å; E520-L616 HydrophobicContact CG-CD2 4.36Å
521	A	98.7	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.1	-42.5	179.2	0	0	0	0	0	111.2	R18 D518 A523 I524 L525 L612	R18-A521 HydrophobicContact CB-CB 4.04Å; D518-A521 HydrophobicContact CB-CB 3.98Å; D518-A521 VanDerWaalsContact CG-CB 3.45Å; D518-A521 PolarHBondContact O-N 2.99Å; D518-A521 PolarHBondContact OD1-N 2.77Å; A521-A523 VanDerWaalsContact C-N 3.34Å; A521-A523 PolarHBondContact O-N 2.77Å; A521-I524 PolarHBondContact O-N 2.99Å; A521-L525 WeakPolarHBondContact O-CB 3.48Å; A521-L525 WeakPolarHBondContact O-CD1 3.25Å; A521-L525 WeakPolarHBondContact O-CG 3.02Å; A521-L525 PolarHBondContact O-N 3.26Å; A521-L612 HydrophobicContact CB-CD1 3.75Å
522	A	98.7	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.6	-44.1	174.8	0	0	0	0	0	112	V36 F517 D518 E520 I524 L525 M526 Y577	V36-A522 HydrophobicContact CG1-CB 3.91Å; F517-A522 HydrophobicContact CD2-CB 4.43Å; F517-A522 HydrophobicContact CE1-CB 4.3Å; F517-A522 HydrophobicContact CE2-CB 3.41Å; F517-A522 VanDerWaalsContact CE2-CB 3.41Å; F517-A522 HydrophobicContact CZ-CB 3.33Å; D518-A522 WeakPolarHBondContact O-CB 3.3Å; D518-A522 PolarHBondContact O-N 3.3Å; E520-A522 VanDerWaalsContact C-N 3.33Å; E520-A522 PolarHBondContact O-N 3.07Å; A522-I524 PolarHBondContact O-N 3.35Å; A522-L525 PolarHBondContact O-N 3.17Å; A522-M526 WeakPolarHBondContact O-CB 3.15Å; A522-M526 WeakPolarHBondContact O-CG 3.46Å; A522-M526 PolarHBondContact O-N 3.27Å; A522-Y577 HydrophobicContact CB-CD2 4.3Å; A522-Y577 HydrophobicContact CB-CE2 3.91Å
523	A	98.7	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.4	-45.4	178.4	0	0	0	0	0	111.7	Q519 E520 A521 M526 A527 Y577 F580 M581	Q519-A523 VanDerWaalsContact O-CB 3.26Å; Q519-A523 WeakPolarHBondContact O-CB 3.29Å; Q519-A523 PolarHBondContact O-N 3.4Å; E520-A523 PolarHBondContact O-N 2.87Å; A521-A523 VanDerWaalsContact C-N 3.34Å; A521-A523 PolarHBondContact O-N 2.77Å; A523-M526 PolarHBondContact O-N 2.83Å; A523-A527 VanDerWaalsContact O-CB 3.29Å; A523-A527 WeakPolarHBondContact O-CB 3.42Å; A523-A527 PolarHBondContact O-N 3.35Å; A523-Y577 HydrophobicContact CB-CD2 4.3Å; A523-Y577 HydrophobicContact CB-CE2 4.28Å; A523-F580 HydrophobicContact CB-CB 3.75Å; A523-F580 HydrophobicContact CB-CD2 3.74Å; A523-F580 HydrophobicContact CB-CG 3.98Å; A523-M581 HydrophobicContact CB-CE 3.8Å
524	I	98.8	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-68.3	-40.1	178.7	-57.7	-42.2	0	0	0	111.9	L41 E520 A521 A522 A527 R528 F607 L616 I619	L41-I524 HydrophobicContact CD1-CB 4.03Å; L41-I524 HydrophobicContact CD1-CG2 3.86Å; L41-I524 HydrophobicContact CD2-CG2 4.1Å; E520-I524 WeakPolarHBondContact O-CG1 3.17Å; E520-I524 PolarHBondContact O-N 3.48Å; E520-I524 VanDerWaalsContact O-N 3.09Å; A521-I524 PolarHBondContact O-N 2.99Å; A522-I524 PolarHBondContact O-N 3.35Å; I524-A527 WeakPolarHBondContact O-CB 3.33Å; I524-A527 PolarHBondContact O-N 2.65Å; I524-R528 WeakPolarHBondContact O-CG 3.32Å; I524-R528 PolarHBondContact O-N 2.82Å; I524-F607 HydrophobicContact CD1-CZ 4.43Å; I524-F607 HydrophobicContact CG2-CZ 4.08Å; I524-L616 HydrophobicContact CD1-CD2 3.79Å; I524-L616 HydrophobicContact CD1-CG 4.1Å; I524-L616 HydrophobicContact CG1-CD2 4.18Å; I524-L616 HydrophobicContact CG1-CG 4.31Å; I524-I619 HydrophobicContact CD1-CD1 3.51Å; I524-I619 HydrophobicContact CD1-CG1 4.4Å
525	L	98.9	Very high	97.2	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-44.3	176.6	-71.6	163	0	0	0	110.8	A39 L41 A458 Y460 A521 A522 A527 R528 L529	A39-L525 HydrophobicContact CB-CD1 3.83Å; A39-L525 HydrophobicContact CB-CD2 4Å; A39-L525 HydrophobicContact CB-CG 4.37Å; L41-L525 HydrophobicContact CD2-CD2 3.9Å; L41-L525 HydrophobicContact CD2-CG 4.37Å; L41-L525 HydrophobicContact CG-CD2 4.07Å; L41-L525 HydrophobicContact CG-CG 4.21Å; A458-L525 HydrophobicContact CB-CD2 3.61Å; Y460-L525 HydrophobicContact CE1-CB 4.42Å; Y460-L525 HydrophobicContact CE1-CD2 4.39Å; Y460-L525 PolarHBondContact OH-O 2.88Å; A521-L525 WeakPolarHBondContact O-CB 3.48Å; A521-L525 WeakPolarHBondContact O-CD1 3.25Å; A521-L525 WeakPolarHBondContact O-CG 3.02Å; A521-L525 PolarHBondContact O-N 3.26Å; A522-L525 PolarHBondContact O-N 3.17Å; L525-A527 VanDerWaalsContact C-N 3.34Å; L525-A527 PolarHBondContact O-N 3.47Å; L525-R528 PolarHBondContact O-N 3.19Å; L525-L529 PolarHBondContact O-N 3.48Å
526	M	98.6	Very high	96.3	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-66.5	-35.8	175.2	-68.9	-62.2	-67.2	0	0	112.4	V36 A522 A523 L529 A530 W545 Q549 Y577	V36-M526 HydrophobicContact CG1-CG 4.26Å; V36-M526 HydrophobicContact CG1-SD 4.39Å; V36-M526 HydrophobicContact CG2-CG 4.16Å; V36-M526 HydrophobicContact CG2-SD 4.38Å; A522-M526 WeakPolarHBondContact O-CB 3.15Å; A522-M526 WeakPolarHBondContact O-CG 3.46Å; A522-M526 PolarHBondContact O-N 3.27Å; A523-M526 PolarHBondContact O-N 2.83Å; M526-L529 WeakPolarHBondContact O-CB 3.33Å; M526-L529 PolarHBondContact O-N 3Å; M526-L529 HydrophobicContact SD-CD1 3.86Å; M526-A530 PolarHBondContact O-N 2.89Å; M526-W545 HydrophobicContact CE-CH2 3.35Å; M526-W545 HydrophobicContact CE-CZ2 3.69Å; M526-W545 HydrophobicContact CE-CZ3 4.13Å; M526-W545 HydrophobicContact SD-CH2 4.24Å; M526-Q549 HydrophobicContact CE-CB 3.87Å; M526-Q549 HydrophobicContact CE-CG 3.72Å; M526-Y577 WeakPolarHBondContact CG-OH 3.35Å
527	A	98.7	Very high	95.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-42.8	172.2	0	0	0	0	0	112.4	A523 I524 L525 L529 A530 I531 L584 F607 I619	A523-A527 VanDerWaalsContact O-CB 3.29Å; A523-A527 WeakPolarHBondContact O-CB 3.42Å; A523-A527 PolarHBondContact O-N 3.35Å; I524-A527 WeakPolarHBondContact O-CB 3.33Å; I524-A527 PolarHBondContact O-N 2.65Å; L525-A527 VanDerWaalsContact C-N 3.34Å; L525-A527 PolarHBondContact O-N 3.47Å; A527-L529 VanDerWaalsContact C-N 3.31Å; A527-L529 PolarHBondContact O-N 3.11Å; A527-A530 PolarHBondContact O-N 2.99Å; A527-I531 WeakPolarHBondContact O-CB 3.38Å; A527-I531 VanDerWaalsContact O-CG1 3.29Å; A527-I531 WeakPolarHBondContact O-CG1 3.47Å; A527-I531 PolarHBondContact O-N 3.08Å; A527-L584 HydrophobicContact CB-CD1 3.73Å; A527-L584 HydrophobicContact CB-CD2 3.65Å; A527-L584 HydrophobicContact CB-CG 4.35Å; A527-F607 HydrophobicContact CB-CE1 3.83Å; A527-F607 HydrophobicContact CB-CZ 3.53Å; A527-I619 HydrophobicContact CB-CD1 3.6Å
528	R	98.6	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-38.3	175.7	-75.9	-175.5	177.8	-144.8	8.6	111.7	I420 T456 A458 I524 L525 Y532 F607 M608 Q610	I420-R528 HydrophobicContact CG2-CB 4.14Å; I420-R528 PolarHBondContact O-NH1 3.22Å; T456-R528 PolarHBondContact O-NH1 2.81Å; T456-R528 PolarHBondContact O-NH2 2.79Å; A458-R528 VanDerWaalsContact CB-CD 3.48Å; I524-R528 WeakPolarHBondContact O-CG 3.32Å; I524-R528 PolarHBondContact O-N 2.82Å; L525-R528 PolarHBondContact O-N 3.19Å; R528-Y532 VanDerWaalsContact O-CB 3.22Å; R528-Y532 WeakPolarHBondContact O-CB 3.5Å; R528-Y532 PolarHBondContact O-N 2.83Å; R528-F607 HydrophobicContact CG-CD1 4.27Å; R528-F607 HydrophobicContact CG-CE1 3.68Å; R528-M608 HydrophobicContact CB-CE 4.45Å; R528-M608 HydrophobicContact CB-SD 4.29Å; R528-M608 HydrophobicContact CG-CE 4.47Å; R528-M608 HydrophobicContact CG-SD 3.99Å; R528-M608 PolarHBondContact NH1-O 3.02Å; R528-M608 VanDerWaalsContact NH1-O 3.08Å; R528-Q610 PolarHBondContact NH2-O 3.48Å
529	L	98.1	Very high	93.7	Very high	13 Å²	13	35.4 Å²	35.4	7%	0.068	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-48.2	170.7	-72.5	173.2	0	0	0	112.2	P37 I420 I438 Y460 L525 M526 A527 I531 Y532 R533 W545	P37-L529 HydrophobicContact CG-CD1 4.34Å; I420-L529 HydrophobicContact CD1-CD2 3.83Å; I438-L529 HydrophobicContact CG2-CD2 3.42Å; I438-L529 VanDerWaalsContact CG2-CD2 3.42Å; Y460-L529 HydrophobicContact CD1-CD1 4.4Å; Y460-L529 HydrophobicContact CD1-CD2 4.4Å; Y460-L529 HydrophobicContact CE1-CD1 3.73Å; Y460-L529 HydrophobicContact CE1-CD2 3.87Å; Y460-L529 HydrophobicContact CE1-CG 3.67Å; Y460-L529 HydrophobicContact CE2-CD2 4.37Å; L525-L529 PolarHBondContact O-N 3.48Å; M526-L529 WeakPolarHBondContact O-CB 3.33Å; M526-L529 PolarHBondContact O-N 3Å; M526-L529 HydrophobicContact SD-CD1 3.86Å; A527-L529 VanDerWaalsContact C-N 3.31Å; A527-L529 PolarHBondContact O-N 3.11Å; L529-I531 PolarHBondContact O-N 3.19Å; L529-Y532 PolarHBondContact O-N 3.39Å; L529-R533 WeakPolarHBondContact O-CB 3.47Å; L529-R533 VanDerWaalsContact O-CG 3.28Å; L529-R533 WeakPolarHBondContact O-CG 3.4Å; L529-R533 PolarHBondContact O-N 2.84Å; L529-W545 HydrophobicContact CB-CH2 3.65Å; L529-W545 HydrophobicContact CB-CZ2 4.42Å; L529-W545 HydrophobicContact CB-CZ3 4.32Å; L529-W545 HydrophobicContact CD1-CH2 4.07Å; L529-W545 HydrophobicContact CD1-CZ2 4.31Å
530	A	97.9	Very high	93.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-48.3	-178.7	0	0	0	0	0	111.5	M526 A527 R533 A534 V542 W545 L590	M526-A530 PolarHBondContact O-N 2.89Å; A527-A530 PolarHBondContact O-N 2.99Å; A530-R533 PolarHBondContact O-N 3.37Å; A530-A534 WeakPolarHBondContact O-CB 3.32Å; A530-A534 PolarHBondContact O-N 3.02Å; A530-V542 HydrophobicContact CB-CG1 3.86Å; A530-V542 VanDerWaalsContact O-CG1 3.31Å; A530-V542 WeakPolarHBondContact O-CG1 3.34Å; A530-W545 HydrophobicContact CB-CZ3 4.03Å; A530-L590 HydrophobicContact CB-CD1 4.25Å; A530-L590 HydrophobicContact CB-CD2 4.15Å
531	I	97.8	Very high	92.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-38.7	-177.9	-63.8	165.6	0	0	0	111.1	A527 L529 A534 E535 F589 L590 R604 F607 M608	A527-I531 WeakPolarHBondContact O-CB 3.38Å; A527-I531 VanDerWaalsContact O-CG1 3.29Å; A527-I531 WeakPolarHBondContact O-CG1 3.47Å; A527-I531 PolarHBondContact O-N 3.08Å; L529-I531 PolarHBondContact O-N 3.19Å; I531-A534 PolarHBondContact O-N 3.13Å; I531-E535 PolarHBondContact O-N 3.21Å; I531-F589 HydrophobicContact CD1-CB 3.64Å; I531-F589 HydrophobicContact CD1-CD1 4.23Å; I531-F589 HydrophobicContact CD1-CD2 4.46Å; I531-F589 HydrophobicContact CD1-CG 3.88Å; I531-F589 HydrophobicContact CG1-CB 3.83Å; I531-L590 HydrophobicContact CG1-CD2 4.23Å; I531-R604 HydrophobicContact CG2-CB 4.09Å; I531-R604 HydrophobicContact CG2-CG 3.6Å; I531-F607 HydrophobicContact CD1-CD1 3.32Å; I531-F607 HydrophobicContact CD1-CE1 3.54Å; I531-F607 HydrophobicContact CD1-CG 3.97Å; I531-F607 HydrophobicContact CD1-CZ 4.35Å; I531-M608 HydrophobicContact CB-CE 3.29Å; I531-M608 HydrophobicContact CD1-CE 4.21Å; I531-M608 HydrophobicContact CG1-CE 4.35Å; I531-M608 HydrophobicContact CG2-CE 3.23Å
532	Y	96.4	Very high	92.5	Very high	90 Å²	90	38.1 Å²	38.1	35%	0.353	20%	0.2	S	C	.	.	H	α-helix	trans	-61.7	-44.1	174.3	-175.4	-91.8	0	0	0	111.3	I420 G439 R528 L529 A534 E535	I420-Y532 HydrophobicContact CD1-CG 4.08Å; I420-Y532 HydrophobicContact CG1-CD2 4.43Å; I420-Y532 HydrophobicContact CG1-CG 4.47Å; I420-Y532 HydrophobicContact CG2-CD2 4.37Å; G439-Y532 PolarHBondContact O-OH 2.73Å; R528-Y532 VanDerWaalsContact O-CB 3.22Å; R528-Y532 WeakPolarHBondContact O-CB 3.5Å; R528-Y532 PolarHBondContact O-N 2.83Å; L529-Y532 PolarHBondContact O-N 3.39Å; Y532-A534 VanDerWaalsContact C-N 3.34Å; Y532-A534 PolarHBondContact O-N 3.5Å; Y532-E535 PolarHBondContact O-N 3.22Å
533	R	95.1	Very high	92.3	Very high	78 Å²	78	39.2 Å²	39.2	29%	0.294	21%	0.206	S	C	.	.	H	α-helix	trans	-62	-40.8	173.7	-71.1	173.2	-177.4	-115	1.2	111.9	L529 A530 E535 T536 E537 V542	L529-R533 WeakPolarHBondContact O-CB 3.47Å; L529-R533 VanDerWaalsContact O-CG 3.28Å; L529-R533 WeakPolarHBondContact O-CG 3.4Å; L529-R533 PolarHBondContact O-N 2.84Å; A530-R533 PolarHBondContact O-N 3.37Å; R533-E535 PolarHBondContact O-N 3.49Å; R533-T536 PolarHBondContact O-N 3.09Å; R533-T536 PolarHBondContact O-OG1 2.92Å; R533-E537 IonicContact NH1-OE1 2.67Å; R533-E537 WeakPolarHBondContact O-CB 3.46Å; R533-E537 PolarHBondContact O-N 3.35Å; R533-V542 HydrophobicContact CB-CG2 3.98Å
534	A	93.1	Very high	92	Very high	16 Å²	16	45.9 Å²	45.9	13%	0.132	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-2	178.7	0	0	0	0	0	114.5	A530 I531 Y532 V542 L590 R604	A530-A534 WeakPolarHBondContact O-CB 3.32Å; A530-A534 PolarHBondContact O-N 3.02Å; I531-A534 PolarHBondContact O-N 3.13Å; Y532-A534 VanDerWaalsContact C-N 3.34Å; Y532-A534 PolarHBondContact O-N 3.5Å; A534-V542 HydrophobicContact CB-CG1 4.48Å; A534-V542 HydrophobicContact CB-CG2 4.13Å; A534-L590 HydrophobicContact CB-CD2 4Å; A534-R604 PolarHBondContact O-NH1 2.93Å
535	E	85.7	Confident	91.9	Very high	84 Å²	84	47.8 Å²	47.8	39%	0.393	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-21.9	167.1	-61.7	-150.7	124.9	0	0	113	K361 I531 Y532 R533	K361-E535 IonicContact NZ-OE1 2.7Å; K361-E535 PolarHBondContact NZ-OE1 2.96Å; I531-E535 PolarHBondContact O-N 3.21Å; Y532-E535 PolarHBondContact O-N 3.22Å; R533-E535 PolarHBondContact O-N 3.49Å
536	T	78.2	Confident	91.8	Very high	118 Å²	118	47.9 Å²	47.9	72%	0.724	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	-28.7	-175.7	53.4	0	0	0	0	114.2	R533	R533-T536 PolarHBondContact O-N 3.09Å; R533-T536 PolarHBondContact O-OG1 2.92Å
537	E	83.8	Confident	91.6	Very high	80 Å²	80	50 Å²	50	37%	0.374	25%	0.25	S	C	.	.	S	Bend	trans	-104	155.6	-179	-60.2	174.2	-147.3	0	0	110.4	R533 V542	R533-E537 IonicContact NH1-OE1 2.67Å; R533-E537 WeakPolarHBondContact O-CB 3.46Å; R533-E537 PolarHBondContact O-N 3.35Å; E537-V542 HydrophobicContact CB-CG2 4.06Å
538	E	77.5	Confident	91.4	Very high	139 Å²	139	58 Å²	58	65%	0.65	28%	0.28	S	S	*	.			trans	-69.3	142.7	176.6	-65.4	-176.7	-174.1	0	0	111.9	D541 V542	E538-D541 PolarHBondContact O-N 3.42Å; E538-D541 VanDerWaalsContact O-N 3.12Å; E538-V542 PolarHBondContact O-N 3.35Å
539	G	78.4	Confident	91.4	Very high	31 Å²	31	59 Å²	59	32%	0.32	29%	0.285	S	S	.	.	H	α-helix	trans	-50.2	-48.3	-176.5	0	0	0	0	0	115.1	D541 V542 L543	G539-D541 VanDerWaalsContact C-N 3.28Å; G539-D541 PolarHBondContact O-N 2.74Å; G539-V542 PolarHBondContact O-N 2.79Å; G539-L543 WeakPolarHBondContact O-CG 3.2Å; G539-L543 PolarHBondContact O-N 3.27Å; G539-L543 VanDerWaalsContact O-N 3.13Å
540	P	87	Confident	91.3	Very high	74 Å²	74	58.5 Å²	58.5	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-34.8	179.9	-27.5	36.5	0	0	0	114.5	L543 R544	P540-L543 PolarHBondContact O-N 3.09Å; P540-R544 VanDerWaalsContact O-CG 3.29Å; P540-R544 WeakPolarHBondContact O-CG 3.43Å; P540-R544 PolarHBondContact O-N 3.12Å
541	D	89.5	Confident	91.2	Very high	73 Å²	73	60.1 Å²	60.1	39%	0.39	29%	0.29	S	S	.	.	H	α-helix	trans	-74.6	-35.7	-179.5	-75.2	-20.5	0	0	0	112	E538 G539 L543 R544 W545	E538-D541 PolarHBondContact O-N 3.42Å; E538-D541 VanDerWaalsContact O-N 3.12Å; G539-D541 VanDerWaalsContact C-N 3.28Å; G539-D541 PolarHBondContact O-N 2.74Å; D541-L543 VanDerWaalsContact C-N 3.33Å; D541-L543 PolarHBondContact O-N 3.5Å; D541-R544 PolarHBondContact O-N 3.14Å; D541-R544 IonicContact OD1-CZ 3.4Å; D541-R544 IonicContact OD1-NH1 3.88Å; D541-R544 PolarHBondContact OD1-NH1 3.12Å; D541-W545 WeakPolarHBondContact O-CB 3.39Å; D541-W545 PolarHBondContact O-N 2.91Å
542	V	93.8	Very high	91.1	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-41.8	172.2	179.9	0	0	0	0	111.1	A530 R533 A534 E537 E538 G539 W545 L546 L590	A530-V542 HydrophobicContact CB-CG1 3.86Å; A530-V542 VanDerWaalsContact O-CG1 3.31Å; A530-V542 WeakPolarHBondContact O-CG1 3.34Å; R533-V542 HydrophobicContact CB-CG2 3.98Å; A534-V542 HydrophobicContact CB-CG1 4.48Å; A534-V542 HydrophobicContact CB-CG2 4.13Å; E537-V542 HydrophobicContact CB-CG2 4.06Å; E538-V542 PolarHBondContact O-N 3.35Å; G539-V542 PolarHBondContact O-N 2.79Å; V542-W545 WeakPolarHBondContact O-CB 3.43Å; V542-W545 PolarHBondContact O-N 3.29Å; V542-L546 WeakPolarHBondContact O-CB 3.29Å; V542-L546 PolarHBondContact O-N 3.46Å; V542-L590 HydrophobicContact CG1-CD2 4.05Å
543	L	93.1	Very high	91.1	Very high	22 Å²	22	60.9 Å²	60.9	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-45	176.8	-62.2	169.4	0	0	0	111.5	G539 P540 D541 W545 L546 D547 R585 L590	G539-L543 WeakPolarHBondContact O-CG 3.2Å; G539-L543 PolarHBondContact O-N 3.27Å; G539-L543 VanDerWaalsContact O-N 3.13Å; P540-L543 PolarHBondContact O-N 3.09Å; D541-L543 VanDerWaalsContact C-N 3.33Å; D541-L543 PolarHBondContact O-N 3.5Å; L543-W545 VanDerWaalsContact C-N 3.29Å; L543-W545 PolarHBondContact O-N 2.68Å; L543-L546 WeakPolarHBondContact O-CB 3.23Å; L543-L546 PolarHBondContact O-N 3Å; L543-L546 VanDerWaalsContact O-N 3.16Å; L543-D547 WeakPolarHBondContact O-CB 3.48Å; L543-D547 VanDerWaalsContact O-CG 3.31Å; L543-D547 PolarHBondContact O-N 3.49Å; L543-R585 HydrophobicContact CD2-CB 3.86Å; L543-R585 WeakPolarHBondContact CD2-O 3.25Å; L543-L590 HydrophobicContact CD2-CB 4.21Å; L543-L590 HydrophobicContact CD2-CD1 4Å
544	R	93.5	Very high	91.1	Very high	141 Å²	141	57.2 Å²	57.2	53%	0.532	28%	0.279	S	S	.	.	H	α-helix	trans	-59.6	-40.4	174.7	-72.7	168.3	-178.4	162.2	-1.7	111.7	P540 D541 R548	P540-R544 VanDerWaalsContact O-CG 3.29Å; P540-R544 WeakPolarHBondContact O-CG 3.43Å; P540-R544 PolarHBondContact O-N 3.12Å; D541-R544 PolarHBondContact O-N 3.14Å; D541-R544 IonicContact OD1-CZ 3.4Å; D541-R544 IonicContact OD1-NH1 3.88Å; D541-R544 PolarHBondContact OD1-NH1 3.12Å; R544-R548 WeakPolarHBondContact O-CB 3.25Å; R544-R548 WeakPolarHBondContact O-CG 3.46Å; R544-R548 PolarHBondContact O-N 3.22Å
545	W	96.1	Very high	91.2	Very high	40 Å²	40	58.7 Å²	58.7	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-45.5	175.5	169.3	82.3	0	0	0	111.3	M526 L529 A530 D541 V542 L543 R548 Q549	M526-W545 HydrophobicContact CE-CH2 3.35Å; M526-W545 HydrophobicContact CE-CZ2 3.69Å; M526-W545 HydrophobicContact CE-CZ3 4.13Å; M526-W545 HydrophobicContact SD-CH2 4.24Å; L529-W545 HydrophobicContact CB-CH2 3.65Å; L529-W545 HydrophobicContact CB-CZ2 4.42Å; L529-W545 HydrophobicContact CB-CZ3 4.32Å; L529-W545 HydrophobicContact CD1-CH2 4.07Å; L529-W545 HydrophobicContact CD1-CZ2 4.31Å; A530-W545 HydrophobicContact CB-CZ3 4.03Å; D541-W545 WeakPolarHBondContact O-CB 3.39Å; D541-W545 PolarHBondContact O-N 2.91Å; V542-W545 WeakPolarHBondContact O-CB 3.43Å; V542-W545 PolarHBondContact O-N 3.29Å; L543-W545 VanDerWaalsContact C-N 3.29Å; L543-W545 PolarHBondContact O-N 2.68Å; W545-R548 PolarHBondContact O-N 3.11Å; W545-Q549 HydrophobicContact CD2-CG 4.35Å; W545-Q549 HydrophobicContact CZ2-CG 4.04Å; W545-Q549 WeakPolarHBondContact O-CG 3.21Å; W545-Q549 PolarHBondContact O-N 2.97Å; W545-Q549 PolarHBondContact O-NE2 3.17Å
546	L	96.4	Very high	91.6	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-48	179.6	-167.6	67.6	0	0	0	111.5	V542 L543 R548 Q549 L550 M581 L584 R585 L590	V542-L546 WeakPolarHBondContact O-CB 3.29Å; V542-L546 PolarHBondContact O-N 3.46Å; L543-L546 WeakPolarHBondContact O-CB 3.23Å; L543-L546 PolarHBondContact O-N 3Å; L543-L546 VanDerWaalsContact O-N 3.16Å; L546-R548 VanDerWaalsContact C-N 3.33Å; L546-R548 PolarHBondContact O-N 2.92Å; L546-Q549 PolarHBondContact O-N 2.99Å; L546-Q549 VanDerWaalsContact O-N 3.17Å; L546-L550 PolarHBondContact O-N 2.55Å; L546-M581 HydrophobicContact CD1-SD 3.66Å; L546-M581 HydrophobicContact CD2-SD 4.3Å; L546-M581 HydrophobicContact CG-SD 4.02Å; L546-L584 HydrophobicContact CD1-CD2 4.23Å; L546-L584 HydrophobicContact CD2-CD2 3.76Å; L546-L584 HydrophobicContact CD2-CG 4.08Å; L546-R585 HydrophobicContact CD2-CB 4.41Å; L546-L590 HydrophobicContact CD2-CD1 4.28Å
547	D	94.6	Very high	92.4	Very high	46 Å²	46	54.2 Å²	54.2	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-42.5	177.6	-69.3	-21.5	0	0	0	111	L543 Q549 L550 I551 R585	L543-D547 WeakPolarHBondContact O-CB 3.48Å; L543-D547 VanDerWaalsContact O-CG 3.31Å; L543-D547 PolarHBondContact O-N 3.49Å; D547-Q549 PolarHBondContact O-N 2.83Å; D547-L550 PolarHBondContact O-N 2.95Å; D547-I551 WeakPolarHBondContact O-CD1 3.24Å; D547-I551 VanDerWaalsContact O-CG1 3.29Å; D547-I551 WeakPolarHBondContact O-CG1 3.35Å; D547-I551 PolarHBondContact O-N 2.81Å; D547-R585 IonicContact OD1-NE 3.07Å
548	R	95.8	Very high	93	Very high	169 Å²	169	51 Å²	51	64%	0.638	24%	0.241	S	C	*	.	H	α-helix	trans	-63.3	-39.5	175.6	-76.2	174.9	-178.1	-179.8	2.2	112.7	R544 W545 L546 R552	R544-R548 WeakPolarHBondContact O-CB 3.25Å; R544-R548 WeakPolarHBondContact O-CG 3.46Å; R544-R548 PolarHBondContact O-N 3.22Å; W545-R548 PolarHBondContact O-N 3.11Å; L546-R548 VanDerWaalsContact C-N 3.33Å; L546-R548 PolarHBondContact O-N 2.92Å; R548-R552 VanDerWaalsContact O-CG 3.27Å; R548-R552 WeakPolarHBondContact O-CG 3.15Å; R548-R552 PolarHBondContact O-N 2.55Å; R548-R552 VanDerWaalsContact O-N 3.13Å
549	Q	96.8	Very high	93.8	Very high	22 Å²	22	51.3 Å²	51.3	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-42.7	176	-63.1	-28.8	-73.1	0	0	110.6	V35 M526 W545 L546 D547 I551 R552 L553	V35-Q549 HydrophobicContact CG1-CB 3.8Å; V35-Q549 HydrophobicContact CG1-CG 4.27Å; V35-Q549 WeakPolarHBondContact CG1-O 3.46Å; M526-Q549 HydrophobicContact CE-CB 3.87Å; M526-Q549 HydrophobicContact CE-CG 3.72Å; W545-Q549 HydrophobicContact CD2-CG 4.35Å; W545-Q549 HydrophobicContact CZ2-CG 4.04Å; W545-Q549 WeakPolarHBondContact O-CG 3.21Å; W545-Q549 PolarHBondContact O-N 2.97Å; W545-Q549 PolarHBondContact O-NE2 3.17Å; L546-Q549 PolarHBondContact O-N 2.99Å; L546-Q549 VanDerWaalsContact O-N 3.17Å; D547-Q549 PolarHBondContact O-N 2.83Å; Q549-I551 PolarHBondContact O-N 2.82Å; Q549-R552 PolarHBondContact O-N 2.91Å; Q549-L553 PolarHBondContact O-N 2.85Å
550	L	97	Very high	94.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-48	177.1	177.7	60.7	0	0	0	111.9	L546 D547 R552 L553 C554 Y577 P578 M581 F752 L756	L546-L550 PolarHBondContact O-N 2.55Å; D547-L550 PolarHBondContact O-N 2.95Å; L550-R552 VanDerWaalsContact C-N 3.35Å; L550-R552 PolarHBondContact O-N 2.74Å; L550-L553 WeakPolarHBondContact O-CB 3.39Å; L550-L553 PolarHBondContact O-N 3.36Å; L550-C554 PolarHBondContact O-N 2.9Å; L550-C554 PolarHBondContact O-SG 2.84Å; L550-Y577 HydrophobicContact CD1-CD1 3.66Å; L550-Y577 HydrophobicContact CD1-CE1 3.75Å; L550-P578 HydrophobicContact CD1-CB 4.32Å; L550-P578 HydrophobicContact CD1-CG 4.23Å; L550-M581 HydrophobicContact CD1-CG 4.11Å; L550-M581 HydrophobicContact CD2-CB 3.86Å; L550-M581 HydrophobicContact CD2-CG 4.21Å; L550-F752 HydrophobicContact CD2-CE1 4.14Å; L550-F752 HydrophobicContact CD2-CZ 3.59Å; L550-L756 HydrophobicContact CD1-CD2 4.33Å; L550-L756 HydrophobicContact CD2-CD1 4.08Å; L550-L756 HydrophobicContact CD2-CD2 3.82Å; L550-L756 HydrophobicContact CG-CD1 3.89Å; L550-L756 HydrophobicContact CG-CD2 4.02Å
551	I	95.9	Very high	95	Very high	33 Å²	33	56.4 Å²	56.4	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-46.2	178.2	-67.2	161.3	0	0	0	111	D547 Q549 L553 C554 Q555 L756 L759	D547-I551 WeakPolarHBondContact O-CD1 3.24Å; D547-I551 VanDerWaalsContact O-CG1 3.29Å; D547-I551 WeakPolarHBondContact O-CG1 3.35Å; D547-I551 PolarHBondContact O-N 2.81Å; Q549-I551 PolarHBondContact O-N 2.82Å; I551-L553 VanDerWaalsContact C-N 3.31Å; I551-L553 PolarHBondContact O-N 2.9Å; I551-C554 WeakPolarHBondContact O-CB 3.28Å; I551-C554 PolarHBondContact O-N 2.79Å; I551-Q555 HydrophobicContact CG2-CG 4.4Å; I551-Q555 WeakPolarHBondContact O-CG 3.41Å; I551-Q555 PolarHBondContact O-N 2.84Å; I551-L756 HydrophobicContact CG1-CD1 3.82Å; I551-L759 HydrophobicContact CD1-CB 4.19Å; I551-L759 HydrophobicContact CD1-CD1 3.68Å; I551-L759 HydrophobicContact CG1-CB 4.32Å; I551-L759 HydrophobicContact CG1-CD1 4.48Å; I551-L759 HydrophobicContact CG2-CB 4.41Å
552	R	96.1	Very high	95.3	Very high	107 Å²	107	59.2 Å²	59.2	40%	0.404	26%	0.257	S	S	.	.	H	α-helix	trans	-63.6	-36	179.1	-71.7	172.4	67.2	-154.3	3.5	112.4	V35 R548 Q549 L550 Q555 K556	V35-R552 HydrophobicContact CG1-CB 4.22Å; V35-R552 HydrophobicContact CG2-CB 3.66Å; R548-R552 VanDerWaalsContact O-CG 3.27Å; R548-R552 WeakPolarHBondContact O-CG 3.15Å; R548-R552 PolarHBondContact O-N 2.55Å; R548-R552 VanDerWaalsContact O-N 3.13Å; Q549-R552 PolarHBondContact O-N 2.91Å; L550-R552 VanDerWaalsContact C-N 3.35Å; L550-R552 PolarHBondContact O-N 2.74Å; R552-Q555 PolarHBondContact O-N 2.79Å; R552-K556 WeakPolarHBondContact O-CB 3.41Å; R552-K556 PolarHBondContact O-N 2.81Å; R552-K556 VanDerWaalsContact O-N 3.1Å
553	L	96.3	Very high	95.2	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-45.9	175.6	-169.7	75.9	0	0	0	110.6	V35 V36 F517 Q549 L550 I551 Q555 K556 F557 F574 Y577	V35-L553 HydrophobicContact CB-CD1 4.4Å; V36-L553 HydrophobicContact CG2-CD1 4.29Å; F517-L553 HydrophobicContact CZ-CD2 4.25Å; Q549-L553 PolarHBondContact O-N 2.85Å; L550-L553 WeakPolarHBondContact O-CB 3.39Å; L550-L553 PolarHBondContact O-N 3.36Å; I551-L553 VanDerWaalsContact C-N 3.31Å; I551-L553 PolarHBondContact O-N 2.9Å; L553-Q555 PolarHBondContact O-N 2.91Å; L553-K556 PolarHBondContact O-N 3.37Å; L553-F557 HydrophobicContact CD1-CD2 3.65Å; L553-F557 HydrophobicContact CD1-CE2 3.86Å; L553-F557 HydrophobicContact CG-CD2 4.26Å; L553-F557 PolarHBondContact O-N 2.97Å; L553-F574 HydrophobicContact CD1-CE1 4.43Å; L553-F574 HydrophobicContact CD2-CD1 4.34Å; L553-Y577 HydrophobicContact CD2-CD1 3.53Å; L553-Y577 HydrophobicContact CD2-CE1 3.51Å; L553-Y577 HydrophobicContact CD2-CG 4.1Å
554	C	95.8	Very high	95.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-42.1	175	-65.5	0	0	0	0	112.4	L550 I551 K556 G558 F568 F570 A760	L550-C554 PolarHBondContact O-N 2.9Å; L550-C554 PolarHBondContact O-SG 2.84Å; I551-C554 WeakPolarHBondContact O-CB 3.28Å; I551-C554 PolarHBondContact O-N 2.79Å; C554-K556 VanDerWaalsContact C-N 3.29Å; C554-K556 PolarHBondContact O-N 2.81Å; C554-G558 WeakPolarHBondContact O-CA 3.18Å; C554-G558 PolarHBondContact O-N 2.89Å; C554-F568 HydrophobicContact CB-CE2 3.91Å; C554-F568 HydrophobicContact CB-CZ 3.76Å; C554-F570 HydrophobicContact CB-CZ 4.1Å; C554-F570 VanDerWaalsContact SG-CE2 3.56Å; C554-F570 VanDerWaalsContact SG-CZ 3.55Å; C554-A760 HydrophobicContact CB-CB 3.76Å
555	Q	95.1	Very high	95.3	Very high	48 Å²	48	61.2 Å²	61.2	22%	0.224	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-33	176.4	-77.3	171.5	-15.4	0	0	112.9	I551 R552 L553 Y560 L759 A760	I551-Q555 HydrophobicContact CG2-CG 4.4Å; I551-Q555 WeakPolarHBondContact O-CG 3.41Å; I551-Q555 PolarHBondContact O-N 2.84Å; R552-Q555 PolarHBondContact O-N 2.79Å; L553-Q555 PolarHBondContact O-N 2.91Å; Q555-Y560 WeakPolarHBondContact CA-OH 3.16Å; Q555-Y560 PolarHBondContact O-OH 2.87Å; Q555-L759 PolarHBondContact NE2-O 3.19Å; Q555-A760 WeakPolarHBondContact CG-O 3.47Å
556	K	93.8	Very high	95.2	Very high	80 Å²	80	64.2 Å²	64.2	35%	0.348	31%	0.308	S	S	.	.	H	α-helix	trans	-85.5	-37.7	-175.3	-175.2	63.5	172.7	179.7	0	113.3	R552 L553 C554	R552-K556 WeakPolarHBondContact O-CB 3.41Å; R552-K556 PolarHBondContact O-N 2.81Å; R552-K556 VanDerWaalsContact O-N 3.1Å; L553-K556 PolarHBondContact O-N 3.37Å; C554-K556 VanDerWaalsContact C-N 3.29Å; C554-K556 PolarHBondContact O-N 2.81Å
557	F	95.1	Very high	95.2	Very high	27 Å²	27	65.1 Å²	65.1	12%	0.118	31%	0.314	C	S	.	.	H	α-helix	trans	-119.7	-6.9	-171.5	-63.3	-75.7	0	0	0	114.3	W21 M34 I510 A514 L553 F570 F574	W21-F557 HydrophobicContact CH2-CD2 4.37Å; W21-F557 HydrophobicContact CH2-CE1 4.26Å; W21-F557 AromaticContact CH2-CE2 3.61Å; W21-F557 HydrophobicContact CH2-CE2 3.61Å; W21-F557 AromaticContact CH2-CZ 3.54Å; W21-F557 HydrophobicContact CH2-CZ 3.54Å; W21-F557 HydrophobicContact CZ2-CE2 4.24Å; W21-F557 HydrophobicContact CZ2-CZ 4.38Å; W21-F557 HydrophobicContact CZ3-CE1 4.48Å; W21-F557 HydrophobicContact CZ3-CZ 4.1Å; M34-F557 HydrophobicContact CG-CZ 4.35Å; I510-F557 HydrophobicContact CG1-CE1 4.44Å; A514-F557 HydrophobicContact CB-CD1 3.93Å; A514-F557 HydrophobicContact CB-CE1 4.06Å; L553-F557 HydrophobicContact CD1-CD2 3.65Å; L553-F557 HydrophobicContact CD1-CE2 3.86Å; L553-F557 HydrophobicContact CG-CD2 4.26Å; L553-F557 PolarHBondContact O-N 2.97Å; F557-F570 HydrophobicContact CB-CE1 4.34Å; F557-F574 HydrophobicContact CB-CD1 4.45Å; F557-F574 HydrophobicContact CB-CE1 4.08Å; F557-F574 HydrophobicContact CB-CE2 4.39Å; F557-F574 HydrophobicContact CB-CZ 4.05Å; F557-F574 HydrophobicContact CD1-CZ 4.07Å; F557-F574 HydrophobicContact CD2-CE1 4.12Å; F557-F574 HydrophobicContact CD2-CZ 4.34Å; F557-F574 HydrophobicContact CG-CE1 4.04Å; F557-F574 AromaticContact CG-CZ 3.9Å; F557-F574 HydrophobicContact CG-CZ 3.9Å
558	G	95	Very high	95.3	Very high	13 Å²	13	63.6 Å²	63.6	13%	0.134	31%	0.305	C	S	.	.			trans	-79.9	149.8	172	0	0	0	0	0	111.5	C554 Y560	C554-G558 WeakPolarHBondContact O-CA 3.18Å; C554-G558 PolarHBondContact O-N 2.89Å; G558-Y560 WeakPolarHBondContact O-CD1 3.33Å
559	E	95.3	Very high	95.3	Very high	146 Å²	146	64.2 Å²	64.2	68%	0.682	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-98.8	125.7	172.6	-66.2	-177.9	177.3	0	0	109.1	F568 R569	E559-F568 CarbonylContact O-C 3.59Å; E559-F568 WeakPolarHBondContact O-CA 3.33Å; E559-R569 PolarHBondContact N-O 3.41Å; E559-R569 PolarHBondContact O-N 3.2Å
560	Y	96.4	Very high	95.2	Very high	77 Å²	77	65.1 Å²	65.1	30%	0.302	31%	0.311	S	S	.	.			trans	-161.2	157.6	-179.2	55.4	-88.9	0	0	0	112.5	Q555 G558 F568 A760 V761	Q555-Y560 WeakPolarHBondContact CA-OH 3.16Å; Q555-Y560 PolarHBondContact O-OH 2.87Å; G558-Y560 WeakPolarHBondContact O-CD1 3.33Å; Y560-F568 AromaticContact CD1-CD2 3.86Å; Y560-F568 HydrophobicContact CD1-CD2 3.86Å; Y560-F568 HydrophobicContact CD1-CE2 4.09Å; Y560-F568 HydrophobicContact CG-CD2 4.28Å; Y560-A760 PolarHBondContact OH-O 2.73Å; Y560-V761 HydrophobicContact CD2-CB 3.86Å; Y560-V761 HydrophobicContact CD2-CG1 3.68Å; Y560-V761 HydrophobicContact CE2-CB 4.38Å; Y560-V761 HydrophobicContact CE2-CG1 4.49Å; Y560-V761 HydrophobicContact CG-CB 4.38Å; Y560-V761 HydrophobicContact CG-CG1 3.69Å
561	H	94.7	Very high	95.1	Very high	134 Å²	134	67.9 Å²	67.9	62%	0.62	33%	0.331	S	S	*	.			trans	-87.6	137.8	161.2	-61.8	-47.2	0	0	0	109.4	D563 D564 S567	H561-D563 PolarHBondContact O-N 3.18Å; H561-D564 HydrophobicContact CB-CB 4.17Å; H561-D564 PolarHBondContact O-N 3.23Å; H561-S567 PolarHBondContact N-OG 3.34Å
562	K	94.1	Very high	94.9	Very high	133 Å²	133	74 Å²	74	58%	0.578	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	135.2	-179.2	-167.5	-172.8	171.7	-179.6	0	110	D564 S763	K562-D564 PolarHBondContact O-N 3.04Å; K562-D564 VanDerWaalsContact O-N 3.16Å; K562-S763 WeakPolarHBondContact CE-OG 3.49Å; K562-S763 PolarHBondContact NZ-OG 2.99Å
563	D	93.2	Very high	94.9	Very high	105 Å²	105	71 Å²	71	56%	0.561	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	14.8	179.2	-51.9	-50.2	0	0	0	114.8	H561 V761	H561-D563 PolarHBondContact O-N 3.18Å; D563-V761 PolarHBondContact N-O 3.17Å
564	D	94.9	Very high	94.9	Very high	57 Å²	57	71 Å²	71	31%	0.305	35%	0.352	S	S	.	.			trans	-119.5	95.5	173	176.1	10.9	0	0	0	111.9	H561 K562 S566 S567	H561-D564 HydrophobicContact CB-CB 4.17Å; H561-D564 PolarHBondContact O-N 3.23Å; K562-D564 PolarHBondContact O-N 3.04Å; K562-D564 VanDerWaalsContact O-N 3.16Å; D564-S566 PolarHBondContact O-N 3.33Å; D564-S566 WeakPolarHBondContact OD1-CB 3.4Å; D564-S566 PolarHBondContact OD1-N 3.35Å; D564-S566 PolarHBondContact OD1-OG 3.29Å; D564-S567 PolarHBondContact O-N 2.85Å; D564-S567 PolarHBondContact O-OG 3.46Å; D564-S567 WeakPolarHBondContact OD2-CB 3.26Å
565	P	93.3	Very high	94.9	Very high	43 Å²	43	73.7 Å²	73.7	28%	0.279	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-64.5	-23.5	-177.6	-21.6	32.6	0	0	0	114.2	S567 F568 K757 K758 V761	P565-S567 VanDerWaalsContact C-N 3.3Å; P565-F568 PolarHBondContact O-N 2.9Å; P565-K757 HydrophobicContact CB-CB 4.21Å; P565-K758 HydrophobicContact CB-CG 4.02Å; P565-K758 HydrophobicContact CG-CB 4.39Å; P565-K758 HydrophobicContact CG-CG 3.72Å; P565-V761 HydrophobicContact CB-CG2 4.33Å; P565-V761 HydrophobicContact CG-CG2 3.91Å
566	S	94.6	Very high	94.9	Very high	104 Å²	104	74.6 Å²	74.6	73%	0.727	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-74.6	-25.1	-177.6	74.2	0	0	0	0	112.4	D564 F568	D564-S566 PolarHBondContact O-N 3.33Å; D564-S566 WeakPolarHBondContact OD1-CB 3.4Å; D564-S566 PolarHBondContact OD1-N 3.35Å; D564-S566 PolarHBondContact OD1-OG 3.29Å; S566-F568 VanDerWaalsContact C-N 3.28Å; S566-F568 PolarHBondContact O-N 3.09Å
567	S	95.9	Very high	95.1	Very high	20 Å²	20	70.9 Å²	70.9	14%	0.14	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-73.4	-16.1	175.9	71.4	0	0	0	0	114	H561 D564 P565 R569	H561-S567 PolarHBondContact N-OG 3.34Å; D564-S567 PolarHBondContact O-N 2.85Å; D564-S567 PolarHBondContact O-OG 3.46Å; D564-S567 WeakPolarHBondContact OD2-CB 3.26Å; P565-S567 VanDerWaalsContact C-N 3.3Å; S567-R569 PolarHBondContact O-N 3.43Å
568	F	96.8	Very high	95.2	Very high	15 Å²	15	69.6 Å²	69.6	7%	0.066	36%	0.356	C	S	.	.			trans	-64.7	124.8	-173	-175.8	-85.6	0	0	0	112.2	C554 E559 Y560 P565 S566 F570 K757 A760 V761	C554-F568 HydrophobicContact CB-CE2 3.91Å; C554-F568 HydrophobicContact CB-CZ 3.76Å; E559-F568 CarbonylContact O-C 3.59Å; E559-F568 WeakPolarHBondContact O-CA 3.33Å; Y560-F568 AromaticContact CD1-CD2 3.86Å; Y560-F568 HydrophobicContact CD1-CD2 3.86Å; Y560-F568 HydrophobicContact CD1-CE2 4.09Å; Y560-F568 HydrophobicContact CG-CD2 4.28Å; P565-F568 PolarHBondContact O-N 2.9Å; S566-F568 VanDerWaalsContact C-N 3.28Å; S566-F568 PolarHBondContact O-N 3.09Å; F568-F570 AromaticContact CE1-CD2 3.98Å; F568-F570 HydrophobicContact CE1-CD2 3.98Å; F568-F570 HydrophobicContact CE1-CE2 4.26Å; F568-F570 HydrophobicContact CE1-CG 4.23Å; F568-F570 HydrophobicContact CZ-CD1 4.39Å; F568-F570 HydrophobicContact CZ-CD2 4.11Å; F568-F570 HydrophobicContact CZ-CE1 4.29Å; F568-F570 HydrophobicContact CZ-CE2 4.01Å; F568-F570 HydrophobicContact CZ-CG 4.3Å; F568-F570 HydrophobicContact CZ-CZ 4.11Å; F568-K757 HydrophobicContact CB-CB 4.29Å; F568-K757 HydrophobicContact CB-CD 4.38Å; F568-K757 HydrophobicContact CB-CG 3.96Å; F568-K757 HydrophobicContact CD1-CD 4.48Å; F568-K757 HydrophobicContact CD1-CG 3.79Å; F568-K757 HydrophobicContact CG-CG 4Å; F568-A760 HydrophobicContact CD2-CB 4.05Å; F568-A760 HydrophobicContact CE2-CB 3.81Å; F568-V761 HydrophobicContact CB-CG1 4.24Å; F568-V761 HydrophobicContact CD2-CG1 4.29Å
569	R	94.7	Very high	95.2	Very high	181 Å²	181	70.6 Å²	70.6	68%	0.683	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-133.7	148.2	177	-65	176.7	-176.1	-173.6	0.2	110.9	E559 S567	E559-R569 PolarHBondContact N-O 3.41Å; E559-R569 PolarHBondContact O-N 3.2Å; S567-R569 PolarHBondContact O-N 3.43Å
570	F	94.8	Very high	95.3	Very high	41 Å²	41	64.2 Å²	64.2	18%	0.18	33%	0.327	C	S	.	.			trans	-116.1	147.9	165.8	-98.9	-36.2	0	0	0	110.1	C554 F557 F568 F574 P578	C554-F570 HydrophobicContact CB-CZ 4.1Å; C554-F570 VanDerWaalsContact SG-CE2 3.56Å; C554-F570 VanDerWaalsContact SG-CZ 3.55Å; F557-F570 HydrophobicContact CB-CE1 4.34Å; F568-F570 AromaticContact CE1-CD2 3.98Å; F568-F570 HydrophobicContact CE1-CD2 3.98Å; F568-F570 HydrophobicContact CE1-CE2 4.26Å; F568-F570 HydrophobicContact CE1-CG 4.23Å; F568-F570 HydrophobicContact CZ-CD1 4.39Å; F568-F570 HydrophobicContact CZ-CD2 4.11Å; F568-F570 HydrophobicContact CZ-CE1 4.29Å; F568-F570 HydrophobicContact CZ-CE2 4.01Å; F568-F570 HydrophobicContact CZ-CG 4.3Å; F568-F570 HydrophobicContact CZ-CZ 4.11Å; F570-F574 HydrophobicContact CB-CB 4.33Å; F570-F574 HydrophobicContact CD1-CB 3.62Å; F570-F574 HydrophobicContact CD1-CG 4.27Å; F570-F574 HydrophobicContact CD2-CB 4.17Å; F570-F574 HydrophobicContact CE1-CB 3.83Å; F570-F574 HydrophobicContact CE1-CD1 4.44Å; F570-F574 HydrophobicContact CE1-CG 4.2Å; F570-F574 HydrophobicContact CE2-CB 4.34Å; F570-F574 HydrophobicContact CG-CB 3.82Å; F570-F574 HydrophobicContact CZ-CB 4.17Å; F570-P578 HydrophobicContact CD2-CG 4.04Å; F570-P578 HydrophobicContact CE2-CG 3.7Å
571	S	94.8	Very high	95.3	Very high	60 Å²	60	60.7 Å²	60.7	42%	0.42	31%	0.313	S	S	.	.			trans	-71.1	161.8	165.3	61	0	0	0	0	110.6	T573 F574 S575	S571-T573 PolarHBondContact O-N 3.47Å; S571-T573 VanDerWaalsContact O-N 3.11Å; S571-F574 PolarHBondContact O-N 2.81Å; S571-S575 PolarHBondContact O-N 3.5Å; S571-S575 VanDerWaalsContact O-N 3.11Å
572	E	93.6	Very high	95.4	Very high	162 Å²	162	54.3 Å²	54.3	76%	0.757	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.6	179.3	-170	177.3	-178.2	0	0	113	Q519 F574 S575	Q519-E572 PolarHBondContact NE2-O 3.14Å; E572-F574 PolarHBondContact O-N 3.22Å; E572-S575 PolarHBondContact O-OG 3.11Å
573	T	94.3	Very high	95.4	Very high	43 Å²	43	48.4 Å²	48.4	26%	0.264	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.3	177.4	-39.8	0	0	0	0	113.3	F517 Q519 S571	F517-T573 HydrophobicContact CB-CG2 3.97Å; F517-T573 WeakPolarHBondContact O-CG2 3.29Å; Q519-T573 WeakPolarHBondContact CB-O 3.16Å; Q519-T573 WeakPolarHBondContact CG-O 3.5Å; Q519-T573 PolarHBondContact OE1-O 2.97Å; S571-T573 PolarHBondContact O-N 3.47Å; S571-T573 VanDerWaalsContact O-N 3.11Å
574	F	96.7	Very high	95.6	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-9.3	-175.6	-68.4	-94.1	0	0	0	114	W21 A514 F517 Q519 L553 F557 F570 S571 E572 L576 Y577 P578	W21-F574 HydrophobicContact CH2-CE1 4.19Å; W21-F574 HydrophobicContact CH2-CZ 4.17Å; W21-F574 HydrophobicContact CZ3-CZ 4.23Å; A514-F574 HydrophobicContact CB-CE2 4.23Å; A514-F574 HydrophobicContact CB-CZ 4.42Å; A514-F574 WeakPolarHBondContact O-CE2 3.5Å; F517-F574 HydrophobicContact CB-CE1 4.01Å; F517-F574 HydrophobicContact CB-CE2 4.15Å; F517-F574 HydrophobicContact CB-CZ 3.61Å; F517-F574 AromaticContact CD1-CD1 3.4Å; F517-F574 HydrophobicContact CD1-CD1 3.4Å; F517-F574 HydrophobicContact CD1-CD2 4.42Å; F517-F574 AromaticContact CD1-CE1 3.2Å; F517-F574 HydrophobicContact CD1-CE1 3.2Å; F517-F574 HydrophobicContact CD1-CE2 4.26Å; F517-F574 HydrophobicContact CD1-CG 4.02Å; F517-F574 AromaticContact CD1-CZ 3.68Å; F517-F574 HydrophobicContact CD1-CZ 3.68Å; F517-F574 HydrophobicContact CD2-CE1 4.15Å; F517-F574 HydrophobicContact CD2-CZ 4.5Å; F517-F574 AromaticContact CE1-CD1 3.47Å; F517-F574 HydrophobicContact CE1-CD1 3.47Å; F517-F574 VanDerWaalsContact CE1-CD1 3.47Å; F517-F574 AromaticContact CE1-CE1 3.54Å; F517-F574 HydrophobicContact CE1-CE1 3.54Å; F517-F574 HydrophobicContact CE1-CG 4.34Å; F517-F574 HydrophobicContact CE1-CZ 4.44Å; F517-F574 HydrophobicContact CE2-CE1 4.42Å; F517-F574 HydrophobicContact CG-CD1 4.2Å; F517-F574 AromaticContact CG-CE1 3.53Å; F517-F574 HydrophobicContact CG-CE1 3.53Å; F517-F574 HydrophobicContact CG-CE2 4.48Å; F517-F574 AromaticContact CG-CZ 3.69Å; F517-F574 HydrophobicContact CG-CZ 3.69Å; F517-F574 HydrophobicContact CZ-CD1 4.33Å; F517-F574 HydrophobicContact CZ-CE1 4.14Å; Q519-F574 PolarHBondContact OE1-O 3.18Å; L553-F574 HydrophobicContact CD1-CE1 4.43Å; L553-F574 HydrophobicContact CD2-CD1 4.34Å; F557-F574 HydrophobicContact CB-CD1 4.45Å; F557-F574 HydrophobicContact CB-CE1 4.08Å; F557-F574 HydrophobicContact CB-CE2 4.39Å; F557-F574 HydrophobicContact CB-CZ 4.05Å; F557-F574 HydrophobicContact CD1-CZ 4.07Å; F557-F574 HydrophobicContact CD2-CE1 4.12Å; F557-F574 HydrophobicContact CD2-CZ 4.34Å; F557-F574 HydrophobicContact CG-CE1 4.04Å; F557-F574 AromaticContact CG-CZ 3.9Å; F557-F574 HydrophobicContact CG-CZ 3.9Å; F570-F574 HydrophobicContact CB-CB 4.33Å; F570-F574 HydrophobicContact CD1-CB 3.62Å; F570-F574 HydrophobicContact CD1-CG 4.27Å; F570-F574 HydrophobicContact CD2-CB 4.17Å; F570-F574 HydrophobicContact CE1-CB 3.83Å; F570-F574 HydrophobicContact CE1-CD1 4.44Å; F570-F574 HydrophobicContact CE1-CG 4.2Å; F570-F574 HydrophobicContact CE2-CB 4.34Å; F570-F574 HydrophobicContact CG-CB 3.82Å; F570-F574 HydrophobicContact CZ-CB 4.17Å; S571-F574 PolarHBondContact O-N 2.81Å; E572-F574 PolarHBondContact O-N 3.22Å; F574-L576 VanDerWaalsContact C-N 3.29Å; F574-L576 PolarHBondContact O-N 3.46Å; F574-Y577 WeakPolarHBondContact O-CB 3.45Å; F574-Y577 PolarHBondContact O-N 3.27Å; F574-Y577 VanDerWaalsContact O-N 3.14Å; F574-P578 VanDerWaalsContact O-CD 3.28Å; F574-P578 WeakPolarHBondContact O-CD 3.29Å
575	S	95.3	Very high	95.5	Very high	57 Å²	57	43.7 Å²	43.7	40%	0.399	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.4	-166.7	54.5	0	0	0	0	114.6	S571 E572	S571-S575 PolarHBondContact O-N 3.5Å; S571-S575 VanDerWaalsContact O-N 3.11Å; E572-S575 PolarHBondContact O-OG 3.11Å
576	L	95.8	Very high	95.5	Very high	66 Å²	66	44 Å²	44	35%	0.346	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-20.1	179.2	-57.6	177.2	0	0	0	112.7	F574 Q579 F580	F574-L576 VanDerWaalsContact C-N 3.29Å; F574-L576 PolarHBondContact O-N 3.46Å; L576-Q579 WeakPolarHBondContact O-CA 3.46Å; L576-Q579 WeakPolarHBondContact O-CB 3.48Å; L576-Q579 PolarHBondContact O-N 2.86Å; L576-F580 HydrophobicContact CB-CD2 4.25Å; L576-F580 HydrophobicContact CB-CE2 3.7Å; L576-F580 HydrophobicContact CB-CZ 4.04Å; L576-F580 HydrophobicContact CD1-CZ 4.37Å; L576-F580 WeakPolarHBondContact O-CD2 3.38Å; L576-F580 PolarHBondContact O-N 2.87Å
577	Y	97.9	Very high	95.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-56.5	-46.3	-176.3	-172.4	-89.5	0	0	0	113.5	F517 A522 A523 M526 L550 L553 F574 Q579 F580 M581	F517-Y577 HydrophobicContact CE1-CD2 4.19Å; F517-Y577 AromaticContact CZ-CD2 3.98Å; F517-Y577 HydrophobicContact CZ-CD2 3.98Å; F517-Y577 HydrophobicContact CZ-CE2 4.2Å; A522-Y577 HydrophobicContact CB-CD2 4.3Å; A522-Y577 HydrophobicContact CB-CE2 3.91Å; A523-Y577 HydrophobicContact CB-CD2 4.3Å; A523-Y577 HydrophobicContact CB-CE2 4.28Å; M526-Y577 WeakPolarHBondContact CG-OH 3.35Å; L550-Y577 HydrophobicContact CD1-CD1 3.66Å; L550-Y577 HydrophobicContact CD1-CE1 3.75Å; L553-Y577 HydrophobicContact CD2-CD1 3.53Å; L553-Y577 HydrophobicContact CD2-CE1 3.51Å; L553-Y577 HydrophobicContact CD2-CG 4.1Å; F574-Y577 WeakPolarHBondContact O-CB 3.45Å; F574-Y577 PolarHBondContact O-N 3.27Å; F574-Y577 VanDerWaalsContact O-N 3.14Å; Y577-Q579 VanDerWaalsContact C-N 3.28Å; Y577-Q579 PolarHBondContact O-N 3.19Å; Y577-F580 PolarHBondContact O-N 3.21Å; Y577-M581 HydrophobicContact CD1-CG 4.02Å; Y577-M581 HydrophobicContact CE1-CG 3.62Å; Y577-M581 HydrophobicContact CE1-SD 4.09Å; Y577-M581 HydrophobicContact CE2-CE 4.15Å; Y577-M581 WeakPolarHBondContact O-CG 3.22Å; Y577-M581 PolarHBondContact O-N 3.36Å
578	P	97.1	Very high	95.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-35.5	174.1	-24.9	35.8	0	0	0	113.8	L550 F570 F574 M581 F582 M753 L756	L550-P578 HydrophobicContact CD1-CB 4.32Å; L550-P578 HydrophobicContact CD1-CG 4.23Å; F570-P578 HydrophobicContact CD2-CG 4.04Å; F570-P578 HydrophobicContact CE2-CG 3.7Å; F574-P578 VanDerWaalsContact O-CD 3.28Å; F574-P578 WeakPolarHBondContact O-CD 3.29Å; P578-M581 PolarHBondContact O-N 3.03Å; P578-F582 PolarHBondContact O-N 3.43Å; P578-M753 HydrophobicContact CB-CE 4.01Å; P578-M753 HydrophobicContact CB-SD 3.57Å; P578-M753 VanDerWaalsContact CB-SD 3.57Å; P578-M753 HydrophobicContact CG-CE 4.34Å; P578-M753 HydrophobicContact CG-SD 4.49Å; P578-L756 HydrophobicContact CB-CD2 3.88Å; P578-L756 HydrophobicContact CG-CD2 4.24Å
579	Q	95.1	Very high	95.3	Very high	33 Å²	33	39.1 Å²	39.1	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-66.9	-44.3	177.6	-173.1	-179.1	4.3	0	0	110.9	L576 Y577 M581 F582 H583 L749	L576-Q579 WeakPolarHBondContact O-CA 3.46Å; L576-Q579 WeakPolarHBondContact O-CB 3.48Å; L576-Q579 PolarHBondContact O-N 2.86Å; Y577-Q579 VanDerWaalsContact C-N 3.28Å; Y577-Q579 PolarHBondContact O-N 3.19Å; Q579-M581 VanDerWaalsContact C-N 3.31Å; Q579-M581 PolarHBondContact O-N 2.89Å; Q579-F582 WeakPolarHBondContact O-CB 3.48Å; Q579-F582 PolarHBondContact O-N 3.3Å; Q579-H583 PolarHBondContact O-CD2 3.06Å; Q579-H583 VanDerWaalsContact O-CD2 3.23Å; Q579-H583 PolarHBondContact O-N 3.47Å; Q579-L749 HydrophobicContact CG-CD2 4.19Å
580	F	97.3	Very high	95.3	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.057	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-42.9	173.2	-64.2	-44.9	0	0	0	111.8	E520 A523 L576 Y577 F582 H583 L584 L616 Q620	E520-F580 HydrophobicContact CG-CE2 4.13Å; E520-F580 HydrophobicContact CG-CZ 4.2Å; A523-F580 HydrophobicContact CB-CB 3.75Å; A523-F580 HydrophobicContact CB-CD2 3.74Å; A523-F580 HydrophobicContact CB-CG 3.98Å; L576-F580 HydrophobicContact CB-CD2 4.25Å; L576-F580 HydrophobicContact CB-CE2 3.7Å; L576-F580 HydrophobicContact CB-CZ 4.04Å; L576-F580 HydrophobicContact CD1-CZ 4.37Å; L576-F580 WeakPolarHBondContact O-CD2 3.38Å; L576-F580 PolarHBondContact O-N 2.87Å; Y577-F580 PolarHBondContact O-N 3.21Å; F580-F582 VanDerWaalsContact C-N 3.32Å; F580-F582 PolarHBondContact O-N 2.96Å; F580-H583 PolarHBondContact O-N 3.01Å; F580-L584 VanDerWaalsContact O-CB 3.24Å; F580-L584 WeakPolarHBondContact O-CB 3.43Å; F580-L584 PolarHBondContact O-N 2.91Å; F580-L616 HydrophobicContact CD1-CD2 4.26Å; F580-L616 HydrophobicContact CE1-CD2 3.84Å; F580-L616 HydrophobicContact CE2-CD2 4.3Å; F580-L616 HydrophobicContact CZ-CD2 3.87Å; F580-Q620 HydrophobicContact CD1-CB 4.4Å
581	M	97.5	Very high	95.1	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-37.4	177	-65.8	-57.7	99	0	0	112.2	A523 L546 L550 Y577 P578 Q579 L584 R585	A523-M581 HydrophobicContact CB-CE 3.8Å; L546-M581 HydrophobicContact CD1-SD 3.66Å; L546-M581 HydrophobicContact CD2-SD 4.3Å; L546-M581 HydrophobicContact CG-SD 4.02Å; L550-M581 HydrophobicContact CD1-CG 4.11Å; L550-M581 HydrophobicContact CD2-CB 3.86Å; L550-M581 HydrophobicContact CD2-CG 4.21Å; Y577-M581 HydrophobicContact CD1-CG 4.02Å; Y577-M581 HydrophobicContact CE1-CG 3.62Å; Y577-M581 HydrophobicContact CE1-SD 4.09Å; Y577-M581 HydrophobicContact CE2-CE 4.15Å; Y577-M581 WeakPolarHBondContact O-CG 3.22Å; Y577-M581 PolarHBondContact O-N 3.36Å; P578-M581 PolarHBondContact O-N 3.03Å; Q579-M581 VanDerWaalsContact C-N 3.31Å; Q579-M581 PolarHBondContact O-N 2.89Å; M581-L584 HydrophobicContact CE-CD2 3.93Å; M581-L584 PolarHBondContact O-N 3.46Å; M581-L584 HydrophobicContact SD-CD2 4.2Å; M581-R585 WeakPolarHBondContact O-CB 3.41Å; M581-R585 VanDerWaalsContact O-CG 3.27Å; M581-R585 WeakPolarHBondContact O-CG 3.17Å; M581-R585 PolarHBondContact O-N 3.35Å
582	F	95.4	Very high	94.9	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-45.6	174.5	170.6	-99.4	0	0	0	112.4	P578 Q579 F580 R585 R586 N723 V747 L749 F752	P578-F582 PolarHBondContact O-N 3.43Å; Q579-F582 WeakPolarHBondContact O-CB 3.48Å; Q579-F582 PolarHBondContact O-N 3.3Å; F580-F582 VanDerWaalsContact C-N 3.32Å; F580-F582 PolarHBondContact O-N 2.96Å; F582-R585 WeakPolarHBondContact O-CG 3.27Å; F582-R586 VanDerWaalsContact CZ-NH1 3.3Å; F582-R586 WeakPolarHBondContact O-CG 3.49Å; F582-N723 WeakPolarHBondContact CZ-OD1 3.08Å; F582-V747 WeakPolarHBondContact CE2-O 3.47Å; F582-L749 HydrophobicContact CB-CD1 3.78Å; F582-L749 HydrophobicContact CD1-CB 4.23Å; F582-L749 HydrophobicContact CD1-CD1 3.76Å; F582-L749 HydrophobicContact CD2-CD1 4.15Å; F582-L749 HydrophobicContact CE1-CB 3.95Å; F582-L749 HydrophobicContact CE1-CD1 4.36Å; F582-L749 HydrophobicContact CE2-CB 4.41Å; F582-L749 HydrophobicContact CG-CD1 3.62Å; F582-L749 HydrophobicContact CZ-CB 4.03Å; F582-F752 HydrophobicContact CB-CD1 3.9Å; F582-F752 HydrophobicContact CB-CE1 3.83Å; F582-F752 HydrophobicContact CB-CG 4.45Å; F582-F752 HydrophobicContact CB-CZ 4.33Å; F582-F752 HydrophobicContact CD2-CB 3.78Å; F582-F752 AromaticContact CD2-CD1 3.92Å; F582-F752 HydrophobicContact CD2-CD1 3.92Å; F582-F752 HydrophobicContact CD2-CD2 4.16Å; F582-F752 AromaticContact CD2-CG 3.68Å; F582-F752 HydrophobicContact CD2-CG 3.68Å; F582-F752 HydrophobicContact CE2-CB 4.08Å; F582-F752 HydrophobicContact CE2-CG 4.45Å; F582-F752 HydrophobicContact CG-CD1 4.3Å; F582-F752 HydrophobicContact CG-CG 4.5Å
583	H	95.3	Very high	94.5	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-73.1	-38.1	178	-69.5	-70.9	0	0	0	112.1	Q579 F580 R585 R586 S587 I619 Q620	Q579-H583 PolarHBondContact O-CD2 3.06Å; Q579-H583 VanDerWaalsContact O-CD2 3.23Å; Q579-H583 PolarHBondContact O-N 3.47Å; F580-H583 PolarHBondContact O-N 3.01Å; H583-R585 PolarHBondContact O-N 3.3Å; H583-R586 VanDerWaalsContact O-CG 3.28Å; H583-R586 WeakPolarHBondContact O-CG 3.49Å; H583-R586 PolarHBondContact O-N 3.35Å; H583-S587 WeakPolarHBondContact O-CB 3.24Å; H583-S587 PolarHBondContact O-N 3.35Å; H583-I619 HydrophobicContact CB-CG2 4.19Å; H583-I619 WeakPolarHBondContact CB-O 3.17Å; H583-Q620 HydrophobicContact CB-CB 4.23Å; H583-Q620 PolarHBondContact CD2-OE1 2.98Å; H583-Q620 VanDerWaalsContact CD2-OE1 3.3Å
584	L	96.4	Very high	94.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-49.3	177.1	174.3	60.4	0	0	0	112.3	A527 L546 F580 M581 R586 S587 L590 I619	A527-L584 HydrophobicContact CB-CD1 3.73Å; A527-L584 HydrophobicContact CB-CD2 3.65Å; A527-L584 HydrophobicContact CB-CG 4.35Å; L546-L584 HydrophobicContact CD1-CD2 4.23Å; L546-L584 HydrophobicContact CD2-CD2 3.76Å; L546-L584 HydrophobicContact CD2-CG 4.08Å; F580-L584 VanDerWaalsContact O-CB 3.24Å; F580-L584 WeakPolarHBondContact O-CB 3.43Å; F580-L584 PolarHBondContact O-N 2.91Å; M581-L584 HydrophobicContact CE-CD2 3.93Å; M581-L584 PolarHBondContact O-N 3.46Å; M581-L584 HydrophobicContact SD-CD2 4.2Å; L584-R586 PolarHBondContact O-N 3.06Å; L584-R586 VanDerWaalsContact O-N 3.17Å; L584-S587 WeakPolarHBondContact O-CB 3.34Å; L584-S587 PolarHBondContact O-N 3.24Å; L584-S587 VanDerWaalsContact O-N 3.08Å; L584-S587 PolarHBondContact O-OG 3.12Å; L584-L590 HydrophobicContact CD1-CD1 4.15Å; L584-L590 HydrophobicContact CG-CD1 4.02Å; L584-I619 HydrophobicContact CB-CG2 3.91Å; L584-I619 HydrophobicContact CD1-CD1 4.14Å; L584-I619 HydrophobicContact CD1-CG1 4.28Å
585	R	94.2	Very high	94	Very high	62 Å²	62	37.7 Å²	37.7	23%	0.234	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-21.8	-176.6	66.8	-177.2	-65.1	-72.5	-2.8	114.5	L543 L546 D547 M581 F582 H583 Q591	L543-R585 HydrophobicContact CD2-CB 3.86Å; L543-R585 WeakPolarHBondContact CD2-O 3.25Å; L546-R585 HydrophobicContact CD2-CB 4.41Å; D547-R585 IonicContact OD1-NE 3.07Å; M581-R585 WeakPolarHBondContact O-CB 3.41Å; M581-R585 VanDerWaalsContact O-CG 3.27Å; M581-R585 WeakPolarHBondContact O-CG 3.17Å; M581-R585 PolarHBondContact O-N 3.35Å; F582-R585 WeakPolarHBondContact O-CG 3.27Å; H583-R585 PolarHBondContact O-N 3.3Å; R585-Q591 WeakPolarHBondContact O-CG 3.44Å; R585-Q591 PolarHBondContact O-NE2 3.25Å; R585-Q591 VanDerWaalsContact O-NE2 3.12Å
586	R	92	Very high	94.1	Very high	50 Å²	50	36.3 Å²	36.3	19%	0.189	18%	0.179	C	C	.	.	H	α-helix	trans	-105.4	-2.4	177.1	68.5	-176.7	-71.3	167.5	-3	113.7	F582 H583 L584 D746	F582-R586 VanDerWaalsContact CZ-NH1 3.3Å; F582-R586 WeakPolarHBondContact O-CG 3.49Å; H583-R586 VanDerWaalsContact O-CG 3.28Å; H583-R586 WeakPolarHBondContact O-CG 3.49Å; H583-R586 PolarHBondContact O-N 3.35Å; L584-R586 PolarHBondContact O-N 3.06Å; L584-R586 VanDerWaalsContact O-N 3.17Å; R586-D746 IonicContact NH2-OD2 3.62Å
587	S	94.3	Very high	94.2	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.07	16%	0.163	C	C	.	.	S	Bend	trans	-69.8	158.2	-179.5	70.7	0	0	0	0	111.6	H583 L584 F589 L590 Q591	H583-S587 WeakPolarHBondContact O-CB 3.24Å; H583-S587 PolarHBondContact O-N 3.35Å; L584-S587 WeakPolarHBondContact O-CB 3.34Å; L584-S587 PolarHBondContact O-N 3.24Å; L584-S587 VanDerWaalsContact O-N 3.08Å; L584-S587 PolarHBondContact O-OG 3.12Å; S587-F589 PolarHBondContact O-N 3.3Å; S587-F589 VanDerWaalsContact OG-CD2 3.28Å; S587-F589 WeakPolarHBondContact OG-CD2 3.31Å; S587-F589 PolarHBondContact OG-N 3.32Å; S587-L590 PolarHBondContact O-N 3.04Å; S587-L590 VanDerWaalsContact O-N 3.11Å; S587-Q591 PolarHBondContact O-N 3.2Å
588	S	93.3	Very high	94.3	Very high	22 Å²	22	33.3 Å²	33.3	15%	0.154	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-8.3	174.7	-60.7	0	0	0	0	113.9	Q591 N595	S588-Q591 WeakPolarHBondContact CA-O 3.48Å; S588-N595 WeakPolarHBondContact CB-OD1 3.28Å; S588-N595 PolarHBondContact OG-OD1 3.02Å; S588-N595 VanDerWaalsContact OG-OD1 3.05Å
589	F	95.6	Very high	94.3	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.022	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-34.7	174.8	-53.9	-64.9	0	0	0	112.4	I531 S587 Y603 R604 F607 M618 F654	I531-F589 HydrophobicContact CD1-CB 3.64Å; I531-F589 HydrophobicContact CD1-CD1 4.23Å; I531-F589 HydrophobicContact CD1-CD2 4.46Å; I531-F589 HydrophobicContact CD1-CG 3.88Å; I531-F589 HydrophobicContact CG1-CB 3.83Å; S587-F589 PolarHBondContact O-N 3.3Å; S587-F589 VanDerWaalsContact OG-CD2 3.28Å; S587-F589 WeakPolarHBondContact OG-CD2 3.31Å; S587-F589 PolarHBondContact OG-N 3.32Å; F589-Y603 WeakPolarHBondContact CE1-O 3.28Å; F589-R604 HydrophobicContact CD1-CG 4.35Å; F589-R604 VanDerWaalsContact O-CZ 3.32Å; F589-R604 PolarHBondContact O-NE 3.45Å; F589-R604 PolarHBondContact O-NH2 3.04Å; F589-F607 HydrophobicContact CD1-CB 4.26Å; F589-F607 HydrophobicContact CE1-CB 3.74Å; F589-F607 HydrophobicContact CE1-CD2 4.31Å; F589-F607 HydrophobicContact CE1-CG 4.22Å; F589-F607 HydrophobicContact CE2-CD2 4.13Å; F589-F607 HydrophobicContact CZ-CB 4.17Å; F589-F607 AromaticContact CZ-CD2 3.94Å; F589-F607 HydrophobicContact CZ-CD2 3.94Å; F589-F607 HydrophobicContact CZ-CG 4.32Å; F589-M618 HydrophobicContact CE2-CB 4.01Å; F589-M618 WeakPolarHBondContact CE2-O 3.24Å; F589-M618 HydrophobicContact CZ-CB 3.77Å; F589-M618 HydrophobicContact CZ-CG 4.23Å; F589-M618 HydrophobicContact CZ-SD 4.11Å; F589-F654 HydrophobicContact CE1-CE2 4.28Å; F589-F654 HydrophobicContact CE1-CZ 4.36Å; F589-F654 AromaticContact CZ-CE2 3.97Å; F589-F654 HydrophobicContact CZ-CE2 3.97Å; F589-F654 HydrophobicContact CZ-CZ 4.39Å
590	L	94.1	Very high	94.4	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.063	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-38.2	-177.6	-62.6	-179.9	0	0	0	112.3	A530 I531 A534 V542 L543 L546 L584 S587	A530-L590 HydrophobicContact CB-CD1 4.25Å; A530-L590 HydrophobicContact CB-CD2 4.15Å; I531-L590 HydrophobicContact CG1-CD2 4.23Å; A534-L590 HydrophobicContact CB-CD2 4Å; V542-L590 HydrophobicContact CG1-CD2 4.05Å; L543-L590 HydrophobicContact CD2-CB 4.21Å; L543-L590 HydrophobicContact CD2-CD1 4Å; L546-L590 HydrophobicContact CD2-CD1 4.28Å; L584-L590 HydrophobicContact CD1-CD1 4.15Å; L584-L590 HydrophobicContact CG-CD1 4.02Å; S587-L590 PolarHBondContact O-N 3.04Å; S587-L590 VanDerWaalsContact O-N 3.11Å
591	Q	91.1	Very high	94.5	Very high	78 Å²	78	33.8 Å²	33.8	36%	0.364	17%	0.166	S	C	.	.			trans	-94	99.7	172.8	-59.3	-59.4	-24.2	0	0	109.5	R585 S587 S588 F593	R585-Q591 WeakPolarHBondContact O-CG 3.44Å; R585-Q591 PolarHBondContact O-NE2 3.25Å; R585-Q591 VanDerWaalsContact O-NE2 3.12Å; S587-Q591 PolarHBondContact O-N 3.2Å; S588-Q591 WeakPolarHBondContact CA-O 3.48Å; Q591-F593 VanDerWaalsContact C-N 3.32Å
592	V	89.9	Confident	94.5	Very high	32 Å²	32	34.7 Å²	34.7	19%	0.194	17%	0.169	C	C	.	.			trans	-87.8	-1.3	-176	-60.2	0	0	0	0	113.8	W313 N595	W313-V592 HydrophobicContact CB-CG2 4.27Å; W313-V592 HydrophobicContact CD2-CB 4.12Å; W313-V592 HydrophobicContact CD2-CG2 3.78Å; W313-V592 HydrophobicContact CE3-CG2 4.36Å; W313-V592 HydrophobicContact CG-CB 4.09Å; W313-V592 HydrophobicContact CG-CG2 3.71Å; W313-V592 HydrophobicContact CZ2-CB 4.36Å; W313-V592 HydrophobicContact CZ2-CG1 4.12Å; V592-N595 PolarHBondContact O-N 2.87Å
593	F	85.1	Confident	94.7	Very high	161 Å²	161	36.1 Å²	36.1	71%	0.706	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	146	174.1	-171.6	-100.2	0	0	0	110.8	Q591 N595	Q591-F593 VanDerWaalsContact C-N 3.32Å; F593-N595 PolarHBondContact O-N 3.41Å
594	N	88.4	Confident	94.8	Very high	143 Å²	143	36.5 Å²	36.5	77%	0.765	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	6.8	-170.9	-65	-31.6	0	0	0	116.1
595	N	93.7	Very high	94.9	Very high	33 Å²	33	36.8 Å²	36.8	18%	0.176	18%	0.177	C	C	.	.	S	Bend	trans	-116.1	153.3	169.7	-72	121.4	0	0	0	111.2	W313 S588 V592 F593 E599	W313-N595 VanDerWaalsContact CD1-O 3.24Å; S588-N595 WeakPolarHBondContact CB-OD1 3.28Å; S588-N595 PolarHBondContact OG-OD1 3.02Å; S588-N595 VanDerWaalsContact OG-OD1 3.05Å; V592-N595 PolarHBondContact O-N 2.87Å; F593-N595 PolarHBondContact O-N 3.41Å; N595-E599 VanDerWaalsContact CA-OE2 3.23Å; N595-E599 WeakPolarHBondContact CA-OE2 3.49Å; N595-E599 HydrophobicContact CB-CB 4.34Å; N595-E599 WeakPolarHBondContact CB-OE2 3.34Å; N595-E599 PolarHBondContact ND2-OE2 2.72Å
596	S	97.6	Very high	95.2	Very high	28 Å²	28	33.8 Å²	33.8	20%	0.196	17%	0.166	C	C	.	.			trans	-79.6	155.7	169.1	84	0	0	0	0	110.7	Q354 D598 E599 S600	Q354-S596 PolarHBondContact OE1-OG 2.95Å; S596-D598 PolarHBondContact O-N 3.36Å; S596-D598 PolarHBondContact OG-N 3.17Å; S596-E599 PolarHBondContact N-OE2 3.28Å; S596-E599 PolarHBondContact O-N 3.09Å; S596-E599 WeakPolarHBondContact OG-CG 3.47Å; S596-E599 PolarHBondContact OG-N 3.37Å; S596-S600 PolarHBondContact O-N 3.09Å; S596-S600 PolarHBondContact O-OG 2.85Å
597	P	98	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.5	-30.3	173.6	-25.5	29.5	0	0	0	115.3	W313 I316 Q354 L358 S601	W313-P597 HydrophobicContact CD2-CB 4.26Å; W313-P597 HydrophobicContact CD2-CG 3.96Å; W313-P597 HydrophobicContact CG-CG 3.97Å; W313-P597 HydrophobicContact CZ2-CB 4.08Å; I316-P597 HydrophobicContact CD1-CB 4.04Å; I316-P597 HydrophobicContact CD1-CG 3.75Å; Q354-P597 VanDerWaalsContact OE1-CD 3.23Å; L358-P597 HydrophobicContact CB-CB 4.19Å; L358-P597 HydrophobicContact CD2-CB 3.83Å; L358-P597 HydrophobicContact CG-CB 4.4Å; P597-S601 WeakPolarHBondContact O-CB 3.43Å; P597-S601 PolarHBondContact O-N 2.8Å; P597-S601 VanDerWaalsContact O-N 3.15Å; P597-S601 PolarHBondContact O-OG 3Å
598	D	98.6	Very high	95.7	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-70.3	-44.6	175.1	-81.2	13.2	0	0	0	112	R311 Q354 T355 G356 L357 L358 S596 S601 Y602	R311-D598 IonicContact CZ-OD1 3.84Å; R311-D598 IonicContact NH1-OD1 3.92Å; R311-D598 IonicContact NH2-OD1 3.33Å; R311-D598 PolarHBondContact NH2-OD1 2.88Å; Q354-D598 HydrophobicContact CB-CB 4.47Å; Q354-D598 HydrophobicContact CG-CB 4.3Å; T355-D598 PolarHBondContact N-OD2 3.22Å; G356-D598 PolarHBondContact N-OD2 3.45Å; L357-D598 HydrophobicContact CB-CB 3.97Å; L357-D598 HydrophobicContact CD1-CB 4.34Å; L357-D598 HydrophobicContact CG-CB 4.36Å; L357-D598 PolarHBondContact N-OD1 3.44Å; L357-D598 PolarHBondContact N-OD2 2.81Å; L357-D598 VanDerWaalsContact N-OD2 3.08Å; L358-D598 PolarHBondContact N-OD1 3.41Å; S596-D598 PolarHBondContact O-N 3.36Å; S596-D598 PolarHBondContact OG-N 3.17Å; D598-S601 PolarHBondContact O-N 3.43Å; D598-Y602 WeakPolarHBondContact O-CB 3.4Å; D598-Y602 PolarHBondContact O-N 2.99Å
599	E	97.9	Very high	95.9	Very high	55 Å²	55	31.7 Å²	31.7	26%	0.257	16%	0.155	S	C	.	.	H	α-helix	trans	-60.6	-48.1	176.6	-73.3	176.8	152.9	0	0	111.6	M373 N595 S596 S601 Y602 Y603	M373-E599 HydrophobicContact CE-CG 3.71Å; M373-E599 HydrophobicContact SD-CG 4.43Å; N595-E599 VanDerWaalsContact CA-OE2 3.23Å; N595-E599 WeakPolarHBondContact CA-OE2 3.49Å; N595-E599 HydrophobicContact CB-CB 4.34Å; N595-E599 WeakPolarHBondContact CB-OE2 3.34Å; N595-E599 PolarHBondContact ND2-OE2 2.72Å; S596-E599 PolarHBondContact N-OE2 3.28Å; S596-E599 PolarHBondContact O-N 3.09Å; S596-E599 WeakPolarHBondContact OG-CG 3.47Å; S596-E599 PolarHBondContact OG-N 3.37Å; E599-S601 VanDerWaalsContact C-N 3.25Å; E599-S601 PolarHBondContact O-N 2.99Å; E599-Y602 WeakPolarHBondContact O-CB 3.46Å; E599-Y602 PolarHBondContact O-N 3.48Å; E599-Y602 VanDerWaalsContact O-N 3.16Å; E599-Y603 HydrophobicContact CB-CD2 4.5Å; E599-Y603 HydrophobicContact CB-CE2 3.97Å; E599-Y603 WeakPolarHBondContact O-CD2 3.33Å; E599-Y603 VanDerWaalsContact O-CG 3.29Å; E599-Y603 PolarHBondContact O-N 3.44Å
600	S	97.4	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-39.1	177.1	-62.3	0	0	0	0	111.7	W313 S596 R604	W313-S600 PolarHBondContact NE1-OG 2.8Å; S596-S600 PolarHBondContact O-N 3.09Å; S596-S600 PolarHBondContact O-OG 2.85Å; S600-R604 WeakPolarHBondContact O-CB 3.45Å; S600-R604 WeakPolarHBondContact O-CG 3.22Å; S600-R604 PolarHBondContact O-N 2.88Å
601	S	98.3	Very high	96.2	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-67.3	-39.7	176.9	-60.2	0	0	0	0	111.9	L358 P597 D598 E599 H605	L358-S601 WeakPolarHBondContact CA-OG 3.43Å; L358-S601 WeakPolarHBondContact CD1-OG 3.44Å; P597-S601 WeakPolarHBondContact O-CB 3.43Å; P597-S601 PolarHBondContact O-N 2.8Å; P597-S601 VanDerWaalsContact O-N 3.15Å; P597-S601 PolarHBondContact O-OG 3Å; D598-S601 PolarHBondContact O-N 3.43Å; E599-S601 VanDerWaalsContact C-N 3.25Å; E599-S601 PolarHBondContact O-N 2.99Å; S601-H605 VanDerWaalsContact O-CB 3.31Å; S601-H605 WeakPolarHBondContact O-CB 3.39Å; S601-H605 PolarHBondContact O-N 2.62Å
602	Y	98.6	Very high	96.6	Very high	20 Å²	20	29 Å²	29	8%	0.078	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-46.3	175	173.4	-98.8	0	0	0	112.7	M371 M373 D598 E599 R604 H605 H606 F654 P701	M371-Y602 HydrophobicContact CG-CD2 4.21Å; M371-Y602 VanDerWaalsContact O-CE2 3.3Å; M371-Y602 WeakPolarHBondContact O-CE2 3.17Å; M371-Y602 HydrophobicContact SD-CD2 4.37Å; M373-Y602 HydrophobicContact CB-CD2 3.98Å; M373-Y602 HydrophobicContact CB-CE2 4.16Å; M373-Y602 HydrophobicContact CB-CG 4.37Å; M373-Y602 HydrophobicContact CG-CD1 3.82Å; M373-Y602 HydrophobicContact CG-CD2 3.62Å; M373-Y602 HydrophobicContact CG-CE1 3.88Å; M373-Y602 HydrophobicContact CG-CE2 3.68Å; M373-Y602 HydrophobicContact CG-CG 3.67Å; M373-Y602 WeakPolarHBondContact SD-CB 3.41Å; M373-Y602 HydrophobicContact SD-CD1 3.39Å; M373-Y602 WeakPolarHBondContact SD-CD1 3.47Å; M373-Y602 HydrophobicContact SD-CD2 3.91Å; M373-Y602 HydrophobicContact SD-CE1 4.01Å; M373-Y602 HydrophobicContact SD-CE2 4.44Å; M373-Y602 HydrophobicContact SD-CG 3.32Å; D598-Y602 WeakPolarHBondContact O-CB 3.4Å; D598-Y602 PolarHBondContact O-N 2.99Å; E599-Y602 WeakPolarHBondContact O-CB 3.46Å; E599-Y602 PolarHBondContact O-N 3.48Å; E599-Y602 VanDerWaalsContact O-N 3.16Å; Y602-R604 PolarHBondContact O-N 2.95Å; Y602-H605 WeakPolarHBondContact O-CB 3.44Å; Y602-H605 PolarHBondContact O-N 2.8Å; Y602-H606 AromaticContact CD2-CD2 3.8Å; Y602-H606 AromaticContact CD2-NE2 3.71Å; Y602-H606 AromaticContact CE1-CD2 3.98Å; Y602-H606 AromaticContact CE2-CD2 3.49Å; Y602-H606 VanDerWaalsContact CE2-CD2 3.49Å; Y602-H606 WeakPolarHBondContact CE2-CD2 3.49Å; Y602-H606 AromaticContact CE2-NE2 3.13Å; Y602-H606 WeakPolarHBondContact CE2-NE2 3.46Å; Y602-H606 AromaticContact CZ-CD2 3.6Å; Y602-H606 AromaticContact CZ-NE2 3.54Å; Y602-H606 PolarHBondContact O-CD2 3.03Å; Y602-H606 VanDerWaalsContact O-CD2 3.32Å; Y602-H606 PolarHBondContact O-N 2.95Å; Y602-F654 HydrophobicContact CD1-CE1 4.48Å; Y602-F654 AromaticContact CE1-CD1 3.84Å; Y602-F654 HydrophobicContact CE1-CD1 3.84Å; Y602-F654 HydrophobicContact CE1-CE1 4.09Å; Y602-P701 WeakPolarHBondContact OH-CG 3.44Å
603	Y	98.4	Very high	96.9	Very high	32 Å²	32	30.9 Å²	30.9	13%	0.125	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-48.8	176.7	-63.1	-40.3	0	0	0	111	F589 E599 H605 H606 F607 F654	F589-Y603 WeakPolarHBondContact CE1-O 3.28Å; E599-Y603 HydrophobicContact CB-CD2 4.5Å; E599-Y603 HydrophobicContact CB-CE2 3.97Å; E599-Y603 WeakPolarHBondContact O-CD2 3.33Å; E599-Y603 VanDerWaalsContact O-CG 3.29Å; E599-Y603 PolarHBondContact O-N 3.44Å; Y603-H605 VanDerWaalsContact C-N 3.33Å; Y603-H605 PolarHBondContact O-N 3.24Å; Y603-H606 PolarHBondContact O-N 3.19Å; Y603-F607 PolarHBondContact O-N 3.42Å; Y603-F654 AromaticContact CD1-CD1 3.79Å; Y603-F654 HydrophobicContact CD1-CD1 3.79Å; Y603-F654 AromaticContact CD1-CD2 3.72Å; Y603-F654 HydrophobicContact CD1-CD2 3.72Å; Y603-F654 AromaticContact CD1-CE1 3.72Å; Y603-F654 HydrophobicContact CD1-CE1 3.72Å; Y603-F654 AromaticContact CD1-CE2 3.64Å; Y603-F654 HydrophobicContact CD1-CE2 3.64Å; Y603-F654 AromaticContact CD1-CG 3.8Å; Y603-F654 HydrophobicContact CD1-CG 3.8Å; Y603-F654 AromaticContact CD1-CZ 3.65Å; Y603-F654 HydrophobicContact CD1-CZ 3.65Å; Y603-F654 HydrophobicContact CE1-CB 4.23Å; Y603-F654 HydrophobicContact CE1-CD1 4.07Å; Y603-F654 AromaticContact CE1-CD2 3.96Å; Y603-F654 HydrophobicContact CE1-CD2 3.96Å; Y603-F654 HydrophobicContact CE1-CE1 4.45Å; Y603-F654 HydrophobicContact CE1-CE2 4.35Å; Y603-F654 AromaticContact CE1-CG 3.81Å; Y603-F654 HydrophobicContact CE1-CG 3.81Å; Y603-F654 HydrophobicContact CG-CE2 4.3Å; Y603-F654 HydrophobicContact CG-CZ 4.32Å
604	R	98.5	Very high	97.5	Very high	17 Å²	17	25.1 Å²	25.1	6%	0.064	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-39.3	178.2	-69	175.8	177.8	-178.2	1.6	112	I531 A534 F589 S600 Y602 H606 F607 M608	I531-R604 HydrophobicContact CG2-CB 4.09Å; I531-R604 HydrophobicContact CG2-CG 3.6Å; A534-R604 PolarHBondContact O-NH1 2.93Å; F589-R604 HydrophobicContact CD1-CG 4.35Å; F589-R604 VanDerWaalsContact O-CZ 3.32Å; F589-R604 PolarHBondContact O-NE 3.45Å; F589-R604 PolarHBondContact O-NH2 3.04Å; S600-R604 WeakPolarHBondContact O-CB 3.45Å; S600-R604 WeakPolarHBondContact O-CG 3.22Å; S600-R604 PolarHBondContact O-N 2.88Å; Y602-R604 PolarHBondContact O-N 2.95Å; R604-H606 PolarHBondContact O-N 3.46Å; R604-F607 PolarHBondContact O-N 2.98Å; R604-M608 WeakPolarHBondContact O-CB 3.2Å; R604-M608 WeakPolarHBondContact O-CG 3.5Å; R604-M608 PolarHBondContact O-N 3.44Å
605	H	98.8	Very high	98	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.023	9%	0.093	C	C	.	.	H	α-helix	trans	-54.8	-51.1	176.4	171.8	86.3	0	0	0	112.1	N365 G369 M371 S601 Y602 Y603 M608 R609	N365-H605 PolarHBondContact OD1-ND1 2.9Å; G369-H605 PolarHBondContact O-CE1 2.82Å; M371-H605 HydrophobicContact CE-CB 4.38Å; M371-H605 PolarHBondContact N-NE2 2.86Å; M371-H605 HydrophobicContact SD-CB 4.17Å; S601-H605 VanDerWaalsContact O-CB 3.31Å; S601-H605 WeakPolarHBondContact O-CB 3.39Å; S601-H605 PolarHBondContact O-N 2.62Å; Y602-H605 WeakPolarHBondContact O-CB 3.44Å; Y602-H605 PolarHBondContact O-N 2.8Å; Y603-H605 VanDerWaalsContact C-N 3.33Å; Y603-H605 PolarHBondContact O-N 3.24Å; H605-M608 PolarHBondContact O-N 3Å; H605-R609 PolarHBondContact CE1-NH1 3.33Å; H605-R609 PolarHBondContact NE2-NH1 3.23Å
606	H	98.6	Very high	98.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-70.7	-40.1	-179.2	-74	-64.8	0	0	0	112	M371 Y602 Y603 R604 M608 R609 Q610 M618 F653 F654 P701	M371-H606 PolarHBondContact O-CE1 2.77Å; M371-H606 PolarHBondContact O-NE2 2.98Å; Y602-H606 AromaticContact CD2-CD2 3.8Å; Y602-H606 AromaticContact CD2-NE2 3.71Å; Y602-H606 AromaticContact CE1-CD2 3.98Å; Y602-H606 AromaticContact CE2-CD2 3.49Å; Y602-H606 VanDerWaalsContact CE2-CD2 3.49Å; Y602-H606 WeakPolarHBondContact CE2-CD2 3.49Å; Y602-H606 AromaticContact CE2-NE2 3.13Å; Y602-H606 WeakPolarHBondContact CE2-NE2 3.46Å; Y602-H606 AromaticContact CZ-CD2 3.6Å; Y602-H606 AromaticContact CZ-NE2 3.54Å; Y602-H606 PolarHBondContact O-CD2 3.03Å; Y602-H606 VanDerWaalsContact O-CD2 3.32Å; Y602-H606 PolarHBondContact O-N 2.95Å; Y603-H606 PolarHBondContact O-N 3.19Å; R604-H606 PolarHBondContact O-N 3.46Å; H606-M608 VanDerWaalsContact C-N 3.27Å; H606-M608 PolarHBondContact O-N 3.03Å; H606-R609 WeakPolarHBondContact O-CG 3.29Å; H606-R609 PolarHBondContact O-N 3Å; H606-Q610 WeakPolarHBondContact O-CB 3.23Å; H606-Q610 WeakPolarHBondContact O-CG 3.3Å; H606-Q610 PolarHBondContact O-N 3.01Å; H606-M618 HydrophobicContact CB-CE 4.46Å; H606-F653 HydrophobicContact CB-CE1 4.25Å; H606-F654 HydrophobicContact CB-CE1 3.89Å; H606-F654 HydrophobicContact CB-CZ 4.25Å; H606-P701 VanDerWaalsContact CE1-CD 3.4Å; H606-P701 WeakPolarHBondContact CE1-CD 3.48Å
607	F	98.8	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.9	-39.3	176.4	-173.4	-92.3	0	0	0	112.7	I524 A527 R528 I531 F589 Y603 R604 R609 M618 I619	I524-F607 HydrophobicContact CD1-CZ 4.43Å; I524-F607 HydrophobicContact CG2-CZ 4.08Å; A527-F607 HydrophobicContact CB-CE1 3.83Å; A527-F607 HydrophobicContact CB-CZ 3.53Å; R528-F607 HydrophobicContact CG-CD1 4.27Å; R528-F607 HydrophobicContact CG-CE1 3.68Å; I531-F607 HydrophobicContact CD1-CD1 3.32Å; I531-F607 HydrophobicContact CD1-CE1 3.54Å; I531-F607 HydrophobicContact CD1-CG 3.97Å; I531-F607 HydrophobicContact CD1-CZ 4.35Å; F589-F607 HydrophobicContact CD1-CB 4.26Å; F589-F607 HydrophobicContact CE1-CB 3.74Å; F589-F607 HydrophobicContact CE1-CD2 4.31Å; F589-F607 HydrophobicContact CE1-CG 4.22Å; F589-F607 HydrophobicContact CE2-CD2 4.13Å; F589-F607 HydrophobicContact CZ-CB 4.17Å; F589-F607 AromaticContact CZ-CD2 3.94Å; F589-F607 HydrophobicContact CZ-CD2 3.94Å; F589-F607 HydrophobicContact CZ-CG 4.32Å; Y603-F607 PolarHBondContact O-N 3.42Å; R604-F607 PolarHBondContact O-N 2.98Å; F607-R609 PolarHBondContact O-N 3.24Å; F607-R609 VanDerWaalsContact O-N 3.16Å; F607-M618 HydrophobicContact CB-SD 3.9Å; F607-M618 HydrophobicContact CD2-CB 4.03Å; F607-M618 HydrophobicContact CD2-SD 3.77Å; F607-M618 HydrophobicContact CE2-CB 4.47Å; F607-M618 HydrophobicContact CG-SD 4.34Å; F607-I619 HydrophobicContact CE2-CD1 3.94Å; F607-I619 HydrophobicContact CE2-CG1 3.78Å; F607-I619 HydrophobicContact CZ-CD1 3.93Å; F607-I619 HydrophobicContact CZ-CG1 4.24Å
608	M	98.6	Very high	98.2	Very high	27 Å²	27	17.8 Å²	17.8	13%	0.133	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.2	-176.6	-73.8	-62.3	165.3	0	0	115.4	I420 G421 P422 R528 I531 R604 H605 H606	I420-M608 HydrophobicContact CG2-CE 4.43Å; I420-M608 HydrophobicContact CG2-SD 3.52Å; I420-M608 VanDerWaalsContact CG2-SD 3.52Å; G421-M608 VanDerWaalsContact CA-O 3.3Å; G421-M608 WeakPolarHBondContact CA-O 3.25Å; P422-M608 WeakPolarHBondContact CD-O 3.5Å; R528-M608 HydrophobicContact CB-CE 4.45Å; R528-M608 HydrophobicContact CB-SD 4.29Å; R528-M608 HydrophobicContact CG-CE 4.47Å; R528-M608 HydrophobicContact CG-SD 3.99Å; R528-M608 PolarHBondContact NH1-O 3.02Å; R528-M608 VanDerWaalsContact NH1-O 3.08Å; I531-M608 HydrophobicContact CB-CE 3.29Å; I531-M608 HydrophobicContact CD1-CE 4.21Å; I531-M608 HydrophobicContact CG1-CE 4.35Å; I531-M608 HydrophobicContact CG2-CE 3.23Å; R604-M608 WeakPolarHBondContact O-CB 3.2Å; R604-M608 WeakPolarHBondContact O-CG 3.5Å; R604-M608 PolarHBondContact O-N 3.44Å; H605-M608 PolarHBondContact O-N 3Å; H606-M608 VanDerWaalsContact C-N 3.27Å; H606-M608 PolarHBondContact O-N 3.03Å
609	R	98.2	Very high	98.1	Very high	11 Å²	11	17.8 Å²	17.8	4%	0.042	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-8.9	-175.6	69.3	-172.8	-47.6	144.3	10.4	114.9	G368 G369 P422 T454 T456 H605 H606 F607	G368-R609 PolarHBondContact O-NH2 3.46Å; G369-R609 PolarHBondContact O-NH1 3.06Å; P422-R609 HydrophobicContact CG-CB 3.92Å; T454-R609 VanDerWaalsContact O-O 3.09Å; T456-R609 PolarHBondContact N-O 2.89Å; H605-R609 PolarHBondContact CE1-NH1 3.33Å; H605-R609 PolarHBondContact NE2-NH1 3.23Å; H606-R609 WeakPolarHBondContact O-CG 3.29Å; H606-R609 PolarHBondContact O-N 3Å; F607-R609 PolarHBondContact O-N 3.24Å; F607-R609 VanDerWaalsContact O-N 3.16Å
610	Q	98.4	Very high	98.1	Very high	12 Å²	12	17 Å²	17	6%	0.056	8%	0.084	C	C	.	.			trans	-87	157.8	-174.3	-74.3	-74.7	0.8	0	0	112.6	T456 R528 H606 Q614 M618 F653 F700	T456-Q610 WeakPolarHBondContact CB-O 3.2Å; R528-Q610 PolarHBondContact NH2-O 3.48Å; H606-Q610 WeakPolarHBondContact O-CB 3.23Å; H606-Q610 WeakPolarHBondContact O-CG 3.3Å; H606-Q610 PolarHBondContact O-N 3.01Å; Q610-Q614 HydrophobicContact CB-CB 4.08Å; Q610-Q614 HydrophobicContact CG-CB 4.42Å; Q610-M618 HydrophobicContact CB-CE 3.84Å; Q610-M618 HydrophobicContact CG-CE 3.55Å; Q610-F653 HydrophobicContact CG-CE2 4.47Å; Q610-F653 HydrophobicContact CG-CZ 4.2Å; Q610-F700 PolarHBondContact NE2-O 2.81Å
611	D	97.8	Very high	98	Very high	22 Å²	22	17.5 Å²	17.5	12%	0.118	9%	0.087	C	C	.	.			trans	-71.8	177.7	175.9	67.4	26.1	0	0	0	112.3	T456 T613 Q614 S615	T456-D611 WeakPolarHBondContact OG1-CA 3.49Å; T456-D611 PolarHBondContact OG1-N 2.8Å; D611-T613 PolarHBondContact O-N 3.31Å; D611-T613 PolarHBondContact OD1-N 2.93Å; D611-Q614 WeakPolarHBondContact OD1-CG 3.28Å; D611-Q614 PolarHBondContact OD1-N 3.11Å; D611-S615 VanDerWaalsContact O-CB 3.23Å; D611-S615 WeakPolarHBondContact O-CB 3.46Å; D611-S615 PolarHBondContact O-N 2.9Å; D611-S615 PolarHBondContact O-OG 3.38Å; D611-S615 VanDerWaalsContact O-OG 3.07Å
612	L	98.3	Very high	97.8	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-59.6	-48.5	-177.1	178.4	138.5	0	0	0	112.1	R18 L41 E520 A521 Q614 S615 L616	R18-L612 HydrophobicContact CB-CD1 4.13Å; R18-L612 HydrophobicContact CG-CD1 4.08Å; L41-L612 HydrophobicContact CD1-CB 3.87Å; L41-L612 HydrophobicContact CD1-CD1 4.05Å; L41-L612 HydrophobicContact CD1-CG 4.4Å; E520-L612 HydrophobicContact CB-CD1 4.06Å; E520-L612 HydrophobicContact CB-CD2 4.25Å; E520-L612 HydrophobicContact CB-CG 4.46Å; A521-L612 HydrophobicContact CB-CD1 3.75Å; L612-Q614 PolarHBondContact O-N 2.92Å; L612-S615 PolarHBondContact O-N 3.24Å; L612-L616 HydrophobicContact CD2-CD1 3.6Å; L612-L616 HydrophobicContact CD2-CG 4.35Å; L612-L616 HydrophobicContact CG-CD1 4.23Å; L612-L616 HydrophobicContact CG-CG 4.49Å; L612-L616 WeakPolarHBondContact O-CG 3.5Å; L612-L616 PolarHBondContact O-N 3Å
613	T	97.4	Very high	97.7	Very high	72 Å²	72	19.3 Å²	19.3	44%	0.442	10%	0.097	S	C	.	.	H	α-helix	trans	-59.7	-50.3	-176.1	-53.5	0	0	0	0	111	D611 S615 L616 I617	D611-T613 PolarHBondContact O-N 3.31Å; D611-T613 PolarHBondContact OD1-N 2.93Å; T613-S615 PolarHBondContact O-N 2.65Å; T613-L616 PolarHBondContact O-N 3.06Å; T613-I617 HydrophobicContact CG2-CD1 4.5Å; T613-I617 WeakPolarHBondContact O-CG1 3.3Å; T613-I617 PolarHBondContact O-N 2.85Å
614	Q	97.9	Very high	97.7	Very high	39 Å²	39	21.8 Å²	21.8	18%	0.182	11%	0.107	C	C	.	.	H	α-helix	trans	-68.7	-35.6	179.9	-59.3	-48.3	-69.9	0	0	111.8	Q610 D611 L612 I617 M618 F653	Q610-Q614 HydrophobicContact CB-CB 4.08Å; Q610-Q614 HydrophobicContact CG-CB 4.42Å; D611-Q614 WeakPolarHBondContact OD1-CG 3.28Å; D611-Q614 PolarHBondContact OD1-N 3.11Å; L612-Q614 PolarHBondContact O-N 2.92Å; Q614-I617 PolarHBondContact O-N 3.43Å; Q614-M618 HydrophobicContact CB-CE 4.4Å; Q614-M618 WeakPolarHBondContact O-CG 3.44Å; Q614-M618 PolarHBondContact O-N 2.84Å; Q614-M618 VanDerWaalsContact O-N 3.11Å; Q614-F653 HydrophobicContact CB-CD2 3.87Å; Q614-F653 HydrophobicContact CB-CE2 3.77Å; Q614-F653 HydrophobicContact CG-CD2 4.32Å; Q614-F653 HydrophobicContact CG-CE2 4Å
615	S	98.5	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.4	-33.6	175.7	-73.6	0	0	0	0	113.3	D611 L612 T613 M618 I619	D611-S615 VanDerWaalsContact O-CB 3.23Å; D611-S615 WeakPolarHBondContact O-CB 3.46Å; D611-S615 PolarHBondContact O-N 2.9Å; D611-S615 PolarHBondContact O-OG 3.38Å; D611-S615 VanDerWaalsContact O-OG 3.07Å; L612-S615 PolarHBondContact O-N 3.24Å; T613-S615 PolarHBondContact O-N 2.65Å; S615-M618 WeakPolarHBondContact O-CB 3.18Å; S615-M618 PolarHBondContact O-N 3.11Å; S615-I619 PolarHBondContact O-N 3.11Å; S615-I619 VanDerWaalsContact O-N 3.17Å
616	L	98.2	Very high	97.6	Very high	22 Å²	22	21.2 Å²	21.2	12%	0.115	11%	0.105	C	C	.	.	H	α-helix	trans	-65.6	-47.4	174.3	-74.2	171.7	0	0	0	111.1	E520 I524 F580 L612 T613 M618 I619 Q620	E520-L616 HydrophobicContact CB-CD1 3.95Å; E520-L616 HydrophobicContact CB-CD2 4.21Å; E520-L616 HydrophobicContact CG-CD1 3.83Å; E520-L616 HydrophobicContact CG-CD2 4.36Å; I524-L616 HydrophobicContact CD1-CD2 3.79Å; I524-L616 HydrophobicContact CD1-CG 4.1Å; I524-L616 HydrophobicContact CG1-CD2 4.18Å; I524-L616 HydrophobicContact CG1-CG 4.31Å; F580-L616 HydrophobicContact CD1-CD2 4.26Å; F580-L616 HydrophobicContact CE1-CD2 3.84Å; F580-L616 HydrophobicContact CE2-CD2 4.3Å; F580-L616 HydrophobicContact CZ-CD2 3.87Å; L612-L616 HydrophobicContact CD2-CD1 3.6Å; L612-L616 HydrophobicContact CD2-CG 4.35Å; L612-L616 HydrophobicContact CG-CD1 4.23Å; L612-L616 HydrophobicContact CG-CG 4.49Å; L612-L616 WeakPolarHBondContact O-CG 3.5Å; L612-L616 PolarHBondContact O-N 3Å; T613-L616 PolarHBondContact O-N 3.06Å; L616-M618 PolarHBondContact O-N 3.47Å; L616-I619 PolarHBondContact O-N 3.36Å; L616-Q620 PolarHBondContact O-N 2.83Å
617	I	97.7	Very high	97.4	Very high	17 Å²	17	21.8 Å²	21.8	9%	0.087	11%	0.109	C	C	.	.	H	α-helix	trans	-56.9	-37.9	176.9	-62.6	168.3	0	0	0	110.8	T613 Q614 Q620 P621 I622 D651 F653	T613-I617 HydrophobicContact CG2-CD1 4.5Å; T613-I617 WeakPolarHBondContact O-CG1 3.3Å; T613-I617 PolarHBondContact O-N 2.85Å; Q614-I617 PolarHBondContact O-N 3.43Å; I617-Q620 CarbonylContact O-C 3.55Å; I617-P621 WeakPolarHBondContact O-CA 3.33Å; I617-I622 HydrophobicContact CD1-CD1 4.43Å; I617-I622 HydrophobicContact CG1-CD1 4.44Å; I617-I622 HydrophobicContact CG1-CG2 4.4Å; I617-D651 WeakPolarHBondContact CG2-O 3.36Å; I617-F653 HydrophobicContact CG2-CB 4.01Å
618	M	98.1	Very high	97.1	Very high	11 Å²	11	26.8 Å²	26.8	5%	0.054	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-40.6	175.9	-80.4	-173.9	-137.9	0	0	113.8	F589 H606 F607 Q610 Q614 S615 L616 F653 F654	F589-M618 HydrophobicContact CE2-CB 4.01Å; F589-M618 WeakPolarHBondContact CE2-O 3.24Å; F589-M618 HydrophobicContact CZ-CB 3.77Å; F589-M618 HydrophobicContact CZ-CG 4.23Å; F589-M618 HydrophobicContact CZ-SD 4.11Å; H606-M618 HydrophobicContact CB-CE 4.46Å; F607-M618 HydrophobicContact CB-SD 3.9Å; F607-M618 HydrophobicContact CD2-CB 4.03Å; F607-M618 HydrophobicContact CD2-SD 3.77Å; F607-M618 HydrophobicContact CE2-CB 4.47Å; F607-M618 HydrophobicContact CG-SD 4.34Å; Q610-M618 HydrophobicContact CB-CE 3.84Å; Q610-M618 HydrophobicContact CG-CE 3.55Å; Q614-M618 HydrophobicContact CB-CE 4.4Å; Q614-M618 WeakPolarHBondContact O-CG 3.44Å; Q614-M618 PolarHBondContact O-N 2.84Å; Q614-M618 VanDerWaalsContact O-N 3.11Å; S615-M618 WeakPolarHBondContact O-CB 3.18Å; S615-M618 PolarHBondContact O-N 3.11Å; L616-M618 PolarHBondContact O-N 3.47Å; M618-F653 HydrophobicContact CE-CB 4.39Å; M618-F653 HydrophobicContact CE-CD1 3.35Å; M618-F653 HydrophobicContact CE-CD2 3.64Å; M618-F653 HydrophobicContact CE-CE1 3.34Å; M618-F653 HydrophobicContact CE-CE2 3.62Å; M618-F653 HydrophobicContact CE-CG 3.51Å; M618-F653 HydrophobicContact CE-CZ 3.49Å; M618-F653 VanDerWaalsContact CE-CZ 3.49Å; M618-F653 HydrophobicContact CG-CB 3.49Å; M618-F653 VanDerWaalsContact CG-CB 3.49Å; M618-F653 HydrophobicContact CG-CD1 3.83Å; M618-F653 HydrophobicContact CG-CD2 4.4Å; M618-F653 HydrophobicContact CG-CG 3.65Å; M618-F653 HydrophobicContact SD-CD1 4.04Å; M618-F653 HydrophobicContact SD-CE1 4.41Å; M618-F653 HydrophobicContact SD-CG 4.31Å; M618-F654 HydrophobicContact CG-CE2 3.85Å; M618-F654 HydrophobicContact CG-CZ 4.14Å; M618-F654 HydrophobicContact SD-CE2 4.02Å; M618-F654 HydrophobicContact SD-CZ 3.71Å
619	I	96.8	Very high	96.7	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-75.6	-52.1	179.6	-70.8	-179.9	0	0	0	110.3	I524 A527 H583 L584 F607 S615 L616	I524-I619 HydrophobicContact CD1-CD1 3.51Å; I524-I619 HydrophobicContact CD1-CG1 4.4Å; A527-I619 HydrophobicContact CB-CD1 3.6Å; H583-I619 HydrophobicContact CB-CG2 4.19Å; H583-I619 WeakPolarHBondContact CB-O 3.17Å; L584-I619 HydrophobicContact CB-CG2 3.91Å; L584-I619 HydrophobicContact CD1-CD1 4.14Å; L584-I619 HydrophobicContact CD1-CG1 4.28Å; F607-I619 HydrophobicContact CE2-CD1 3.94Å; F607-I619 HydrophobicContact CE2-CG1 3.78Å; F607-I619 HydrophobicContact CZ-CD1 3.93Å; F607-I619 HydrophobicContact CZ-CG1 4.24Å; S615-I619 PolarHBondContact O-N 3.11Å; S615-I619 VanDerWaalsContact O-N 3.17Å; L616-I619 PolarHBondContact O-N 3.36Å
620	Q	96.1	Very high	96.3	Very high	38 Å²	38	31.6 Å²	31.6	18%	0.178	18%	0.175	C	C	.	.	S	Bend	trans	-123.8	95.6	-178.1	-178.8	175.5	-36.3	0	0	108	F580 H583 L616 I617	F580-Q620 HydrophobicContact CD1-CB 4.4Å; H583-Q620 HydrophobicContact CB-CB 4.23Å; H583-Q620 PolarHBondContact CD2-OE1 2.98Å; H583-Q620 VanDerWaalsContact CD2-OE1 3.3Å; L616-Q620 PolarHBondContact O-N 2.83Å; I617-Q620 CarbonylContact O-C 3.55Å
621	P	96.3	Very high	96	Very high	10 Å²	10	36.1 Å²	36.1	7%	0.065	21%	0.206	C	C	.	.			trans	-51	141.3	174.3	-29.9	36.3	0	0	0	112.1	I617 L637 M650 D651 T652	I617-P621 WeakPolarHBondContact O-CA 3.33Å; P621-L637 HydrophobicContact CB-CD1 4.21Å; P621-L637 HydrophobicContact CB-CD2 4Å; P621-L637 HydrophobicContact CG-CD2 4.14Å; P621-M650 HydrophobicContact CB-CG 4.29Å; P621-D651 VanDerWaalsContact CA-O 3.3Å; P621-D651 WeakPolarHBondContact CA-O 3.47Å; P621-D651 WeakPolarHBondContact CB-O 3.27Å; P621-T652 HydrophobicContact CB-CG2 3.9Å; P621-T652 HydrophobicContact CG-CG2 3.9Å
622	I	94.5	Very high	95.9	Very high	57 Å²	57	38.2 Å²	38.2	29%	0.292	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	143.7	174.9	61.7	-177.6	0	0	0	109.3	I617 Y624 M650 D651	I617-I622 HydrophobicContact CD1-CD1 4.43Å; I617-I622 HydrophobicContact CG1-CD1 4.44Å; I617-I622 HydrophobicContact CG1-CG2 4.4Å; I622-Y624 HydrophobicContact CD1-CE2 3.84Å; I622-Y624 HydrophobicContact CG1-CE2 4.29Å; I622-M650 WeakPolarHBondContact O-CA 3.49Å; I622-D651 HydrophobicContact CD1-CB 4.05Å; I622-D651 HydrophobicContact CG1-CB 3.67Å; I622-D651 PolarHBondContact N-O 2.89Å; I622-D651 VanDerWaalsContact N-O 3.1Å; I622-D651 PolarHBondContact O-N 3.37Å
623	L	96.5	Very high	95.7	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117.9	-179.3	-168.6	66.1	0	0	0	108.5	P634 V635 L637 L648 L649 M650 L718	L623-P634 WeakPolarHBondContact O-CA 3.28Å; L623-V635 HydrophobicContact CB-CG2 4.08Å; L623-V635 HydrophobicContact CD2-CG2 3.85Å; L623-V635 HydrophobicContact CG-CG2 3.76Å; L623-V635 WeakPolarHBondContact O-CG2 3.49Å; L623-V635 PolarHBondContact O-N 3.22Å; L623-L637 HydrophobicContact CB-CD1 4.04Å; L623-L637 HydrophobicContact CD2-CD1 4.32Å; L623-L648 HydrophobicContact CD1-CB 3.98Å; L623-L648 HydrophobicContact CD1-CD1 4.42Å; L623-L648 HydrophobicContact CD2-CD1 4.34Å; L623-L648 HydrophobicContact CG-CD2 4.42Å; L623-L649 WeakPolarHBondContact CA-O 3.49Å; L623-M650 HydrophobicContact CD1-CB 3.64Å; L623-M650 HydrophobicContact CD1-CG 4.15Å; L623-L718 HydrophobicContact CD1-CD1 3.99Å
624	Y	97.3	Very high	95.6	Very high	85 Å²	85	43.5 Å²	43.5	33%	0.333	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.2	173.3	-72.4	-82.8	0	0	0	110.3	I622 E633 P634 L648 L649	I622-Y624 HydrophobicContact CD1-CE2 3.84Å; I622-Y624 HydrophobicContact CG1-CE2 4.29Å; Y624-E633 CarbonylContact C-O 3.13Å; Y624-E633 WeakPolarHBondContact CA-O 3.47Å; Y624-P634 HydrophobicContact CD1-CB 4.32Å; Y624-P634 HydrophobicContact CE1-CB 4.06Å; Y624-L648 CarbonylContact O-C 3.55Å; Y624-L648 VanDerWaalsContact O-CA 3.24Å; Y624-L648 WeakPolarHBondContact O-CA 3.28Å; Y624-L649 PolarHBondContact N-O 2.92Å; Y624-L649 PolarHBondContact O-N 3.34Å
625	A	97.4	Very high	95.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133	172.8	0	0	0	0	0	111	P632 E633 V635 I647 L648	A625-P632 WeakPolarHBondContact O-CA 3.33Å; A625-E633 HydrophobicContact CB-CG 4.44Å; A625-E633 PolarHBondContact N-O 2.87Å; A625-E633 PolarHBondContact O-N 3.17Å; A625-E633 VanDerWaalsContact O-N 3.16Å; A625-V635 HydrophobicContact CB-CB 4.48Å; A625-V635 HydrophobicContact CB-CG1 3.56Å; A625-V635 HydrophobicContact CB-CG2 4.06Å; A625-I647 WeakPolarHBondContact CA-O 3.47Å; A625-L648 HydrophobicContact CB-CD2 3.84Å
626	Y	97.8	Very high	94.9	Very high	8 Å²	8	48.7 Å²	48.7	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.2	177	-59.4	-110	0	0	0	107.5	P632 R646 I647 L649 A687 P688 D691	Y626-P632 HydrophobicContact CD1-CB 3.93Å; Y626-P632 HydrophobicContact CD1-CG 3.57Å; Y626-P632 HydrophobicContact CE1-CB 3.6Å; Y626-P632 HydrophobicContact CE1-CG 3.35Å; Y626-P632 HydrophobicContact CE2-CB 4.44Å; Y626-P632 HydrophobicContact CG-CB 4.47Å; Y626-P632 HydrophobicContact CG-CG 4.49Å; Y626-R646 WeakPolarHBondContact O-CA 3.43Å; Y626-I647 PolarHBondContact N-O 3.07Å; Y626-I647 PolarHBondContact O-N 2.96Å; Y626-L649 HydrophobicContact CE2-CB 3.64Å; Y626-L649 HydrophobicContact CE2-CD2 4.44Å; Y626-L649 WeakPolarHBondContact OH-CD2 3.22Å; Y626-A687 HydrophobicContact CD1-CB 3.95Å; Y626-A687 HydrophobicContact CE1-CB 4.08Å; Y626-P688 HydrophobicContact CD1-CB 4.27Å; Y626-P688 HydrophobicContact CD1-CG 4.46Å; Y626-P688 HydrophobicContact CD2-CB 4.01Å; Y626-P688 HydrophobicContact CE1-CB 4.06Å; Y626-P688 HydrophobicContact CE2-CB 3.84Å; Y626-P688 HydrophobicContact CG-CB 4.27Å; Y626-P688 HydrophobicContact CG-CG 4.44Å; Y626-D691 WeakPolarHBondContact CE1-OD2 3.32Å; Y626-D691 PolarHBondContact OH-OD2 3.03Å
627	S	95.6	Very high	94.5	Very high	13 Å²	13	48 Å²	48	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	172.8	-178.8	74.3	0	0	0	0	110.2	S629	S627-S629 VanDerWaalsContact C-N 3.27Å; S627-S629 PolarHBondContact O-N 3.42Å; S627-S629 PolarHBondContact OG-N 3.5Å; S627-S629 PolarHBondContact OG-OG 2.96Å
628	F	92.9	Very high	94.1	Very high	105 Å²	105	48 Å²	48	46%	0.461	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-18.7	174.3	-68.9	-76.5	0	0	0	113.6	I664 W667 N680 F681 L684	F628-I664 HydrophobicContact CE2-CD1 4.44Å; F628-W667 AromaticContact CE2-CZ3 3.9Å; F628-W667 HydrophobicContact CE2-CZ3 3.9Å; F628-N680 HydrophobicContact CE1-CB 4.36Å; F628-F681 HydrophobicContact CE2-CD2 4.45Å; F628-F681 HydrophobicContact CZ-CB 4.23Å; F628-F681 AromaticContact CZ-CD2 3.8Å; F628-F681 HydrophobicContact CZ-CD2 3.8Å; F628-F681 HydrophobicContact CZ-CG 4.48Å; F628-L684 HydrophobicContact CD1-CD2 4.34Å; F628-L684 HydrophobicContact CD2-CD2 3.87Å; F628-L684 HydrophobicContact CE1-CB 4.5Å; F628-L684 HydrophobicContact CE1-CD2 4Å; F628-L684 HydrophobicContact CE2-CD2 3.47Å; F628-L684 VanDerWaalsContact CE2-CD2 3.47Å; F628-L684 HydrophobicContact CG-CD2 4.3Å; F628-L684 HydrophobicContact CZ-CD2 3.58Å
629	S	90	Very high	93.6	Very high	100 Å²	100	47.5 Å²	47.5	70%	0.699	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	24.2	-169.4	51.3	0	0	0	0	114	S627	S627-S629 VanDerWaalsContact C-N 3.27Å; S627-S629 PolarHBondContact O-N 3.42Å; S627-S629 PolarHBondContact OG-N 3.5Å; S627-S629 PolarHBondContact OG-OG 2.96Å
630	G	88.2	Confident	93.2	Very high	39 Å²	39	49.6 Å²	49.6	40%	0.402	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166.9	172.5	174.8	0	0	0	0	0	113.4
631	P	93.6	Very high	93	Very high	107 Å²	107	48.5 Å²	48.5	70%	0.695	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	167.6	167.8	32.1	-35.5	0	0	0	111	E633	P631-E633 PolarHBondContact O-N 3.42Å
632	P	95	Very high	92.9	Very high	65 Å²	65	48.4 Å²	48.4	42%	0.422	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	126.7	173.4	-23.1	34	0	0	0	111.2	A625 Y626	A625-P632 WeakPolarHBondContact O-CA 3.33Å; Y626-P632 HydrophobicContact CD1-CB 3.93Å; Y626-P632 HydrophobicContact CD1-CG 3.57Å; Y626-P632 HydrophobicContact CE1-CB 3.6Å; Y626-P632 HydrophobicContact CE1-CG 3.35Å; Y626-P632 HydrophobicContact CE2-CB 4.44Å; Y626-P632 HydrophobicContact CG-CB 4.47Å; Y626-P632 HydrophobicContact CG-CG 4.49Å
633	E	94.1	Very high	92.8	Very high	87 Å²	87	48.2 Å²	48.2	41%	0.407	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.3	-177.7	64.9	-179.5	177.3	0	0	111.3	Y624 A625 P631 V635 R646	Y624-E633 CarbonylContact C-O 3.13Å; Y624-E633 WeakPolarHBondContact CA-O 3.47Å; A625-E633 HydrophobicContact CB-CG 4.44Å; A625-E633 PolarHBondContact N-O 2.87Å; A625-E633 PolarHBondContact O-N 3.17Å; A625-E633 VanDerWaalsContact O-N 3.16Å; P631-E633 PolarHBondContact O-N 3.42Å; E633-V635 HydrophobicContact CG-CG1 4.14Å; E633-V635 PolarHBondContact O-N 3.48Å; E633-R646 IonicContact OE1-CZ 2.8Å; E633-R646 IonicContact OE1-NH1 3.56Å; E633-R646 PolarHBondContact OE1-NH1 3.31Å
634	P	94.5	Very high	92.7	Very high	101 Å²	101	50 Å²	50	66%	0.656	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.9	171.6	29	-32.5	0	0	0	109.4	L623 Y624	L623-P634 WeakPolarHBondContact O-CA 3.28Å; Y624-P634 HydrophobicContact CD1-CB 4.32Å; Y624-P634 HydrophobicContact CE1-CB 4.06Å
635	V	93.1	Very high	92.6	Very high	33 Å²	33	49.5 Å²	49.5	20%	0.2	30%	0.301	C	S	.	.			trans	-114.4	161.6	178.3	-65.8	0	0	0	0	110.8	L623 A625 E633 L648	L623-V635 HydrophobicContact CB-CG2 4.08Å; L623-V635 HydrophobicContact CD2-CG2 3.85Å; L623-V635 HydrophobicContact CG-CG2 3.76Å; L623-V635 WeakPolarHBondContact O-CG2 3.49Å; L623-V635 PolarHBondContact O-N 3.22Å; A625-V635 HydrophobicContact CB-CB 4.48Å; A625-V635 HydrophobicContact CB-CG1 3.56Å; A625-V635 HydrophobicContact CB-CG2 4.06Å; E633-V635 HydrophobicContact CG-CG1 4.14Å; E633-V635 PolarHBondContact O-N 3.48Å; V635-L648 HydrophobicContact CG2-CD2 4.34Å
636	L	88.9	Confident	92.5	Very high	114 Å²	114	51.9 Å²	51.9	60%	0.597	31%	0.309	S	S	*	.			trans	-61.1	141.6	176.9	-69.4	172.5	0	0	0	110.4	D638 S641	L636-D638 HydrophobicContact CB-CB 4.02Å; L636-D638 PolarHBondContact O-N 2.96Å; L636-S641 WeakPolarHBondContact O-CB 3.37Å; L636-S641 PolarHBondContact O-OG 3.36Å
637	L	91	Very high	92.5	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.047	31%	0.308	C	S	.	.	S	Bend	trans	-76	68.1	173.4	-167.3	71.9	0	0	0	110	P621 L623 M650 K721 V722 N723	P621-L637 HydrophobicContact CB-CD1 4.21Å; P621-L637 HydrophobicContact CB-CD2 4Å; P621-L637 HydrophobicContact CG-CD2 4.14Å; L623-L637 HydrophobicContact CB-CD1 4.04Å; L623-L637 HydrophobicContact CD2-CD1 4.32Å; L637-M650 HydrophobicContact CD1-SD 4.42Å; L637-K721 WeakPolarHBondContact CD2-O 3.43Å; L637-V722 HydrophobicContact CD1-CG1 4.09Å; L637-V722 HydrophobicContact CG-CG1 4.27Å; L637-N723 WeakPolarHBondContact O-CB 3.48Å; L637-N723 PolarHBondContact O-N 2.76Å
638	D	89.3	Confident	92.6	Very high	16 Å²	16	51 Å²	51	9%	0.086	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-142.5	151.8	-166.7	-168.2	-82.8	0	0	0	111.3	L636 S640 S641 N723 S725	L636-D638 HydrophobicContact CB-CB 4.02Å; L636-D638 PolarHBondContact O-N 2.96Å; D638-S640 PolarHBondContact O-N 3.38Å; D638-S640 WeakPolarHBondContact OD1-CB 3.31Å; D638-S640 PolarHBondContact OD1-N 3.48Å; D638-S640 PolarHBondContact OD1-OG 3.46Å; D638-S641 WeakPolarHBondContact O-CB 3.37Å; D638-S641 PolarHBondContact O-N 3.13Å; D638-S641 VanDerWaalsContact O-N 3.09Å; D638-N723 HydrophobicContact CB-CB 4.39Å; D638-N723 WeakPolarHBondContact OD2-CB 3.49Å; D638-N723 PolarHBondContact OD2-ND2 2.87Å; D638-S725 VanDerWaalsContact CG-OG 3.29Å; D638-S725 WeakPolarHBondContact OD1-CB 3.4Å; D638-S725 PolarHBondContact OD1-OG 2.55Å; D638-S725 VanDerWaalsContact OD2-CB 3.27Å; D638-S725 WeakPolarHBondContact OD2-CB 3.41Å; D638-S725 PolarHBondContact OD2-OG 3Å
639	S	87.1	Confident	92.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-55.2	-31.6	175.9	33.2	0	0	0	0	114.1	S641 I642 N723 S725 Q726 A740	S639-S641 PolarHBondContact O-N 2.98Å; S639-I642 WeakPolarHBondContact O-CB 3.25Å; S639-I642 PolarHBondContact O-N 3.24Å; S639-I642 VanDerWaalsContact O-N 3.15Å; S639-N723 PolarHBondContact N-O 3.35Å; S639-N723 VanDerWaalsContact N-O 3.12Å; S639-N723 PolarHBondContact OG-O 3.33Å; S639-S725 PolarHBondContact OG-N 3.03Å; S639-S725 PolarHBondContact OG-OG 3.12Å; S639-Q726 PolarHBondContact OG-N 3.16Å; S639-A740 VanDerWaalsContact CB-O 3.32Å; S639-A740 WeakPolarHBondContact CB-O 3.49Å
640	S	88.3	Confident	93.2	Very high	50 Å²	50	41.4 Å²	41.4	35%	0.35	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-64.4	-23.3	178.4	52.9	0	0	0	0	113.6	D638 I642	D638-S640 PolarHBondContact O-N 3.38Å; D638-S640 WeakPolarHBondContact OD1-CB 3.31Å; D638-S640 PolarHBondContact OD1-N 3.48Å; D638-S640 PolarHBondContact OD1-OG 3.46Å; S640-I642 PolarHBondContact O-N 3.12Å
641	S	92.1	Very high	93.6	Very high	15 Å²	15	39.7 Å²	39.7	11%	0.105	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-76.7	-10.8	176.8	-58.2	0	0	0	0	113.2	L636 D638 S639 L643	L636-S641 WeakPolarHBondContact O-CB 3.37Å; L636-S641 PolarHBondContact O-OG 3.36Å; D638-S641 WeakPolarHBondContact O-CB 3.37Å; D638-S641 PolarHBondContact O-N 3.13Å; D638-S641 VanDerWaalsContact O-N 3.09Å; S639-S641 PolarHBondContact O-N 2.98Å; S641-L643 PolarHBondContact O-N 3.33Å
642	I	92.8	Very high	93.8	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.041	20%	0.201	C	C	.	.			trans	-87.1	90.6	-180	-53.2	178.8	0	0	0	108.9	S639 S640 L648 Y659 L718 L719 V722 A740	S639-I642 WeakPolarHBondContact O-CB 3.25Å; S639-I642 PolarHBondContact O-N 3.24Å; S639-I642 VanDerWaalsContact O-N 3.15Å; S640-I642 PolarHBondContact O-N 3.12Å; I642-L648 HydrophobicContact CG1-CD1 4.11Å; I642-Y659 HydrophobicContact CG2-CE1 3.72Å; I642-L718 HydrophobicContact CD1-CD2 4.18Å; I642-L718 HydrophobicContact CD1-CG 4.4Å; I642-L718 HydrophobicContact CG1-CD2 4.45Å; I642-L719 HydrophobicContact CD1-CD2 3.69Å; I642-V722 HydrophobicContact CD1-CG2 4.21Å; I642-A740 HydrophobicContact CB-CB 4.21Å; I642-A740 HydrophobicContact CG2-CB 4.05Å
643	L	93.6	Very high	93.9	Very high	53 Å²	53	32.1 Å²	32.1	28%	0.277	18%	0.182	S	C	.	.			trans	-107.1	154.9	-179.7	-58.5	179.9	0	0	0	111.8	S641 D645 R646	S641-L643 PolarHBondContact O-N 3.33Å; L643-D645 PolarHBondContact O-N 2.9Å; L643-R646 HydrophobicContact CB-CG 4.28Å
644	A	94.6	Very high	94	Very high	40 Å²	40	29.3 Å²	29.3	33%	0.331	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-28.7	-175.5	0	0	0	0	0	113.8	G661 E662 T663 I664	A644-G661 CarbonylContact O-C 3.57Å; A644-G661 WeakPolarHBondContact O-CA 3.39Å; A644-E662 HydrophobicContact CB-CB 4.14Å; A644-E662 PolarHBondContact O-N 3.29Å; A644-T663 WeakPolarHBondContact O-CB 3.29Å; A644-T663 PolarHBondContact O-N 3.34Å; A644-I664 PolarHBondContact O-N 3Å
645	D	94.3	Very high	94	Very high	76 Å²	76	25.8 Å²	25.8	41%	0.406	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.2	-171.7	67.6	-35.9	0	0	0	113.8	L643	L643-D645 PolarHBondContact O-N 2.9Å
646	R	95.1	Very high	94.1	Very high	50 Å²	50	24.2 Å²	24.2	19%	0.189	13%	0.134	C	C	.	.			trans	-124.9	157.5	-179.1	-55.6	-166.4	-179.1	-164.1	-3.2	112.3	Y626 E633 L643 G661	Y626-R646 WeakPolarHBondContact O-CA 3.43Å; E633-R646 IonicContact OE1-CZ 2.8Å; E633-R646 IonicContact OE1-NH1 3.56Å; E633-R646 PolarHBondContact OE1-NH1 3.31Å; L643-R646 HydrophobicContact CB-CG 4.28Å; R646-G661 PolarHBondContact O-N 3.47Å
647	I	97.9	Very high	94.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.3	166.7	-53.8	170.2	0	0	0	107.7	A625 Y626 I658 Y659 I664 L684 L685 P688	A625-I647 WeakPolarHBondContact CA-O 3.47Å; Y626-I647 PolarHBondContact N-O 3.07Å; Y626-I647 PolarHBondContact O-N 2.96Å; I647-I658 HydrophobicContact CG2-CG2 3.63Å; I647-Y659 CarbonylContact C-O 3.58Å; I647-Y659 WeakPolarHBondContact CA-O 3.45Å; I647-Y659 WeakPolarHBondContact CG2-O 3.29Å; I647-I664 HydrophobicContact CD1-CG2 3.96Å; I647-I664 HydrophobicContact CG1-CB 4.48Å; I647-I664 HydrophobicContact CG1-CG1 4.37Å; I647-I664 HydrophobicContact CG1-CG2 3.73Å; I647-L684 HydrophobicContact CD1-CG 3.97Å; I647-L684 WeakPolarHBondContact CD1-O 3.14Å; I647-L685 HydrophobicContact CD1-CD2 3.81Å; I647-P688 HydrophobicContact CD1-CG 4.48Å; I647-P688 HydrophobicContact CG2-CB 4.42Å; I647-P688 HydrophobicContact CG2-CG 3.89Å
648	L	97.9	Very high	94.9	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.9	177.2	-58.7	174.7	0	0	0	110.6	L623 Y624 A625 V635 I642 I658 Y659 L718	L623-L648 HydrophobicContact CD1-CB 3.98Å; L623-L648 HydrophobicContact CD1-CD1 4.42Å; L623-L648 HydrophobicContact CD2-CD1 4.34Å; L623-L648 HydrophobicContact CG-CD2 4.42Å; Y624-L648 CarbonylContact O-C 3.55Å; Y624-L648 VanDerWaalsContact O-CA 3.24Å; Y624-L648 WeakPolarHBondContact O-CA 3.28Å; A625-L648 HydrophobicContact CB-CD2 3.84Å; V635-L648 HydrophobicContact CG2-CD2 4.34Å; I642-L648 HydrophobicContact CG1-CD1 4.11Å; L648-I658 CarbonylContact O-C 3.57Å; L648-I658 WeakPolarHBondContact O-CA 3.49Å; L648-Y659 HydrophobicContact CB-CD1 4.48Å; L648-Y659 HydrophobicContact CD1-CD1 4.04Å; L648-Y659 HydrophobicContact CG-CD1 4.32Å; L648-Y659 PolarHBondContact N-O 3.35Å; L648-Y659 PolarHBondContact O-N 3.49Å; L648-L718 HydrophobicContact CD1-CD2 4.1Å
649	L	98	Very high	95.3	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	110	167	178	64.3	0	0	0	108.4	L623 Y624 Y626 I656 L657 I658 P688 D691 A692	L623-L649 WeakPolarHBondContact CA-O 3.49Å; Y624-L649 PolarHBondContact N-O 2.92Å; Y624-L649 PolarHBondContact O-N 3.34Å; Y626-L649 HydrophobicContact CE2-CB 3.64Å; Y626-L649 HydrophobicContact CE2-CD2 4.44Å; Y626-L649 WeakPolarHBondContact OH-CD2 3.22Å; L649-I656 HydrophobicContact CD1-CG2 3.64Å; L649-L657 WeakPolarHBondContact CA-O 3.29Å; L649-I658 HydrophobicContact CD1-CD1 4.48Å; L649-I658 HydrophobicContact CD1-CG1 3.76Å; L649-P688 HydrophobicContact CB-CB 4.39Å; L649-D691 HydrophobicContact CD2-CB 3.9Å; L649-A692 HydrophobicContact CD1-CB 4Å
650	M	97.9	Very high	95.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.4	174.6	-173.5	-178.9	59	0	0	110	P621 I622 L623 L637 T652 L657 L718 K721	P621-M650 HydrophobicContact CB-CG 4.29Å; I622-M650 WeakPolarHBondContact O-CA 3.49Å; L623-M650 HydrophobicContact CD1-CB 3.64Å; L623-M650 HydrophobicContact CD1-CG 4.15Å; L637-M650 HydrophobicContact CD1-SD 4.42Å; M650-T652 HydrophobicContact CE-CG2 3.7Å; M650-T652 HydrophobicContact CG-CG2 3.99Å; M650-T652 HydrophobicContact SD-CG2 3.87Å; M650-L657 HydrophobicContact CB-CB 4.36Å; M650-L657 HydrophobicContact CE-CB 4.01Å; M650-L657 HydrophobicContact CE-CD1 4.08Å; M650-L657 HydrophobicContact CE-CG 4.45Å; M650-L657 PolarHBondContact N-O 3.05Å; M650-L657 PolarHBondContact O-N 3.35Å; M650-L718 HydrophobicContact CB-CD1 4.27Å; M650-L718 HydrophobicContact CE-CB 4.23Å; M650-L718 HydrophobicContact CE-CD1 4.21Å; M650-L718 HydrophobicContact CG-CD1 4.4Å; M650-L718 HydrophobicContact SD-CD1 3.58Å; M650-L718 VanDerWaalsContact SD-CD1 3.58Å; M650-K721 HydrophobicContact SD-CB 3.99Å; M650-K721 HydrophobicContact SD-CG 4.34Å
651	D	97.4	Very high	96.2	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116	171	176	15	0	0	0	110.2	I617 P621 I622 F653 I656 R699	I617-D651 WeakPolarHBondContact CG2-O 3.36Å; P621-D651 VanDerWaalsContact CA-O 3.3Å; P621-D651 WeakPolarHBondContact CA-O 3.47Å; P621-D651 WeakPolarHBondContact CB-O 3.27Å; I622-D651 HydrophobicContact CD1-CB 4.05Å; I622-D651 HydrophobicContact CG1-CB 3.67Å; I622-D651 PolarHBondContact N-O 2.89Å; I622-D651 VanDerWaalsContact N-O 3.1Å; I622-D651 PolarHBondContact O-N 3.37Å; D651-F653 WeakPolarHBondContact OD1-CA 3.37Å; D651-F653 PolarHBondContact OD1-N 3.03Å; D651-I656 HydrophobicContact CB-CD1 3.67Å; D651-I656 WeakPolarHBondContact OD1-CD1 3.3Å; D651-R699 VanDerWaalsContact CG-NH1 3.33Å; D651-R699 IonicContact OD1-CZ 3.51Å; D651-R699 IonicContact OD1-NH1 2.71Å; D651-R699 PolarHBondContact OD1-NH1 3.31Å; D651-R699 IonicContact OD1-NH2 3.01Å; D651-R699 IonicContact OD2-CZ 3.86Å; D651-R699 IonicContact OD2-NH1 3.06Å; D651-R699 PolarHBondContact OD2-NH1 2.78Å; D651-R699 IonicContact OD2-NH2 2.71Å; D651-R699 PolarHBondContact OD2-NH2 3.06Å
652	T	96.4	Very high	96.5	Very high	10 Å²	10	19.5 Å²	19.5	6%	0.061	10%	0.1	C	C	.	.			trans	-105.4	14.5	179.9	63.8	0	0	0	0	112.7	P621 M650 F654 Q655	P621-T652 HydrophobicContact CB-CG2 3.9Å; P621-T652 HydrophobicContact CG-CG2 3.9Å; M650-T652 HydrophobicContact CE-CG2 3.7Å; M650-T652 HydrophobicContact CG-CG2 3.99Å; M650-T652 HydrophobicContact SD-CG2 3.87Å; T652-F654 PolarHBondContact O-N 3.16Å; T652-Q655 PolarHBondContact N-O 3.27Å; T652-Q655 WeakPolarHBondContact OG1-CA 3.29Å; T652-Q655 WeakPolarHBondContact OG1-CB 3.35Å; T652-Q655 PolarHBondContact OG1-N 3.46Å; T652-Q655 PolarHBondContact OG1-O 2.88Å
653	F	97.5	Very high	96.6	Very high	2 Å²	2	21 Å²	21	1%	0.009	11%	0.11	C	C	.	.	S	Bend	trans	67.5	-52.4	-164.6	-179.4	-89.4	0	0	0	113.9	H606 Q610 Q614 I617 M618 D651 R699 P703	H606-F653 HydrophobicContact CB-CE1 4.25Å; Q610-F653 HydrophobicContact CG-CE2 4.47Å; Q610-F653 HydrophobicContact CG-CZ 4.2Å; Q614-F653 HydrophobicContact CB-CD2 3.87Å; Q614-F653 HydrophobicContact CB-CE2 3.77Å; Q614-F653 HydrophobicContact CG-CD2 4.32Å; Q614-F653 HydrophobicContact CG-CE2 4Å; I617-F653 HydrophobicContact CG2-CB 4.01Å; M618-F653 HydrophobicContact CE-CB 4.39Å; M618-F653 HydrophobicContact CE-CD1 3.35Å; M618-F653 HydrophobicContact CE-CD2 3.64Å; M618-F653 HydrophobicContact CE-CE1 3.34Å; M618-F653 HydrophobicContact CE-CE2 3.62Å; M618-F653 HydrophobicContact CE-CG 3.51Å; M618-F653 HydrophobicContact CE-CZ 3.49Å; M618-F653 VanDerWaalsContact CE-CZ 3.49Å; M618-F653 HydrophobicContact CG-CB 3.49Å; M618-F653 VanDerWaalsContact CG-CB 3.49Å; M618-F653 HydrophobicContact CG-CD1 3.83Å; M618-F653 HydrophobicContact CG-CD2 4.4Å; M618-F653 HydrophobicContact CG-CG 3.65Å; M618-F653 HydrophobicContact SD-CD1 4.04Å; M618-F653 HydrophobicContact SD-CE1 4.41Å; M618-F653 HydrophobicContact SD-CG 4.31Å; D651-F653 WeakPolarHBondContact OD1-CA 3.37Å; D651-F653 PolarHBondContact OD1-N 3.03Å; F653-R699 VanDerWaalsContact CA-NH1 3.32Å; F653-R699 HydrophobicContact CD2-CG 4.4Å; F653-R699 HydrophobicContact CE2-CG 3.88Å; F653-R699 HydrophobicContact CZ-CG 4.24Å; F653-R699 VanDerWaalsContact O-CD 3.25Å; F653-R699 WeakPolarHBondContact O-CD 3.27Å; F653-R699 PolarHBondContact O-NH1 3.33Å; F653-R699 VanDerWaalsContact O-NH1 3.12Å; F653-P703 WeakPolarHBondContact O-CB 3.5Å
654	F	95.7	Very high	96.8	Very high	29 Å²	29	18.5 Å²	18.5	13%	0.127	10%	0.097	C	C	.	.	S	Bend	trans	-83.2	-25.9	-176.9	-57.5	-73.2	0	0	0	113.5	F589 Y602 Y603 H606 M618 T652 P703 R704	F589-F654 HydrophobicContact CE1-CE2 4.28Å; F589-F654 HydrophobicContact CE1-CZ 4.36Å; F589-F654 AromaticContact CZ-CE2 3.97Å; F589-F654 HydrophobicContact CZ-CE2 3.97Å; F589-F654 HydrophobicContact CZ-CZ 4.39Å; Y602-F654 HydrophobicContact CD1-CE1 4.48Å; Y602-F654 AromaticContact CE1-CD1 3.84Å; Y602-F654 HydrophobicContact CE1-CD1 3.84Å; Y602-F654 HydrophobicContact CE1-CE1 4.09Å; Y603-F654 AromaticContact CD1-CD1 3.79Å; Y603-F654 HydrophobicContact CD1-CD1 3.79Å; Y603-F654 AromaticContact CD1-CD2 3.72Å; Y603-F654 HydrophobicContact CD1-CD2 3.72Å; Y603-F654 AromaticContact CD1-CE1 3.72Å; Y603-F654 HydrophobicContact CD1-CE1 3.72Å; Y603-F654 AromaticContact CD1-CE2 3.64Å; Y603-F654 HydrophobicContact CD1-CE2 3.64Å; Y603-F654 AromaticContact CD1-CG 3.8Å; Y603-F654 HydrophobicContact CD1-CG 3.8Å; Y603-F654 AromaticContact CD1-CZ 3.65Å; Y603-F654 HydrophobicContact CD1-CZ 3.65Å; Y603-F654 HydrophobicContact CE1-CB 4.23Å; Y603-F654 HydrophobicContact CE1-CD1 4.07Å; Y603-F654 AromaticContact CE1-CD2 3.96Å; Y603-F654 HydrophobicContact CE1-CD2 3.96Å; Y603-F654 HydrophobicContact CE1-CE1 4.45Å; Y603-F654 HydrophobicContact CE1-CE2 4.35Å; Y603-F654 AromaticContact CE1-CG 3.81Å; Y603-F654 HydrophobicContact CE1-CG 3.81Å; Y603-F654 HydrophobicContact CG-CE2 4.3Å; Y603-F654 HydrophobicContact CG-CZ 4.32Å; H606-F654 HydrophobicContact CB-CE1 3.89Å; H606-F654 HydrophobicContact CB-CZ 4.25Å; M618-F654 HydrophobicContact CG-CE2 3.85Å; M618-F654 HydrophobicContact CG-CZ 4.14Å; M618-F654 HydrophobicContact SD-CE2 4.02Å; M618-F654 HydrophobicContact SD-CZ 3.71Å; T652-F654 PolarHBondContact O-N 3.16Å; F654-P703 VanDerWaalsContact O-CA 3.31Å; F654-P703 WeakPolarHBondContact O-CA 3.46Å; F654-P703 WeakPolarHBondContact O-CB 3.29Å; F654-R704 PolarHBondContact O-N 3.35Å
655	Q	94.9	Very high	96.8	Very high	27 Å²	27	16.9 Å²	16.9	13%	0.126	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139	179.3	-50.9	-178.8	-14.5	0	0	110	T652 R704 I706	T652-Q655 PolarHBondContact N-O 3.27Å; T652-Q655 WeakPolarHBondContact OG1-CA 3.29Å; T652-Q655 WeakPolarHBondContact OG1-CB 3.35Å; T652-Q655 PolarHBondContact OG1-N 3.46Å; T652-Q655 PolarHBondContact OG1-O 2.88Å; Q655-R704 CarbonylContact C-O 3.59Å; Q655-R704 VanDerWaalsContact CA-O 3.24Å; Q655-R704 WeakPolarHBondContact CA-O 3.45Å; Q655-R704 HydrophobicContact CG-CB 4.3Å; Q655-I706 HydrophobicContact CB-CD1 4.42Å
656	I	96.6	Very high	96.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.1	167.6	-58.1	-62.4	0	0	0	107	L649 D651 A692 I695 P703 R704 Y705 I706	L649-I656 HydrophobicContact CD1-CG2 3.64Å; D651-I656 HydrophobicContact CB-CD1 3.67Å; D651-I656 WeakPolarHBondContact OD1-CD1 3.3Å; I656-A692 HydrophobicContact CG2-CB 3.65Å; I656-I695 HydrophobicContact CD1-CB 4.38Å; I656-I695 HydrophobicContact CD1-CD1 4.34Å; I656-I695 HydrophobicContact CD1-CG2 3.78Å; I656-I695 HydrophobicContact CG1-CG2 4.42Å; I656-P703 HydrophobicContact CD1-CG 4.39Å; I656-P703 HydrophobicContact CG1-CB 4.05Å; I656-P703 HydrophobicContact CG1-CG 3.65Å; I656-R704 PolarHBondContact N-O 2.79Å; I656-Y705 HydrophobicContact CB-CD2 4.45Å; I656-Y705 HydrophobicContact CG2-CD2 4.32Å; I656-Y705 CarbonylContact O-C 3.5Å; I656-Y705 WeakPolarHBondContact O-CA 3.33Å; I656-I706 PolarHBondContact O-N 3.01Å
657	L	97.7	Very high	97	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.7	-175.2	-176.9	153.5	0	0	0	110.6	L649 M650 I706 T708 F717 L718	L649-L657 WeakPolarHBondContact CA-O 3.29Å; M650-L657 HydrophobicContact CB-CB 4.36Å; M650-L657 HydrophobicContact CE-CB 4.01Å; M650-L657 HydrophobicContact CE-CD1 4.08Å; M650-L657 HydrophobicContact CE-CG 4.45Å; M650-L657 PolarHBondContact N-O 3.05Å; M650-L657 PolarHBondContact O-N 3.35Å; L657-I706 CarbonylContact C-O 3.51Å; L657-I706 VanDerWaalsContact CA-O 3.31Å; L657-I706 WeakPolarHBondContact CA-O 3.44Å; L657-I706 HydrophobicContact CB-CB 4.17Å; L657-I706 HydrophobicContact CB-CG2 4.44Å; L657-I706 HydrophobicContact CD1-CB 4.29Å; L657-I706 HydrophobicContact CD1-CD1 4.41Å; L657-I706 HydrophobicContact CD1-CG2 3.77Å; L657-I706 HydrophobicContact CG-CB 4.1Å; L657-I706 HydrophobicContact CG-CG2 3.81Å; L657-T708 HydrophobicContact CD1-CG2 4.27Å; L657-T708 HydrophobicContact CD2-CG2 3.96Å; L657-T708 HydrophobicContact CG-CG2 4.14Å; L657-F717 HydrophobicContact CD1-CB 3.65Å; L657-L718 HydrophobicContact CD1-CB 4.36Å; L657-L718 HydrophobicContact CD2-CB 4.08Å
658	I	98.2	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.2	168.5	-59.8	-178.4	0	0	0	108.3	I647 L648 L649 P688 V689 A692 Y705 I706 T708	I647-I658 HydrophobicContact CG2-CG2 3.63Å; L648-I658 CarbonylContact O-C 3.57Å; L648-I658 WeakPolarHBondContact O-CA 3.49Å; L649-I658 HydrophobicContact CD1-CD1 4.48Å; L649-I658 HydrophobicContact CD1-CG1 3.76Å; I658-P688 HydrophobicContact CD1-CB 4.12Å; I658-P688 HydrophobicContact CG1-CB 4.49Å; I658-P688 HydrophobicContact CG2-CG 4.47Å; I658-V689 HydrophobicContact CD1-CB 4.41Å; I658-V689 HydrophobicContact CD1-CG2 3.78Å; I658-A692 HydrophobicContact CD1-CB 4.33Å; I658-Y705 HydrophobicContact CD1-CE2 4.06Å; I658-Y705 WeakPolarHBondContact CD1-OH 3.21Å; I658-Y705 HydrophobicContact CG1-CE2 4.44Å; I658-I706 PolarHBondContact N-O 3.05Å; I658-T708 PolarHBondContact O-N 2.88Å
659	Y	98.3	Very high	96.8	Very high	13 Å²	13	30.2 Å²	30.2	5%	0.051	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.5	176.8	170.9	-90.2	0	0	0	110.3	I642 I647 L648 T708 H710 A715 L718	I642-Y659 HydrophobicContact CG2-CE1 3.72Å; I647-Y659 CarbonylContact C-O 3.58Å; I647-Y659 WeakPolarHBondContact CA-O 3.45Å; I647-Y659 WeakPolarHBondContact CG2-O 3.29Å; L648-Y659 HydrophobicContact CB-CD1 4.48Å; L648-Y659 HydrophobicContact CD1-CD1 4.04Å; L648-Y659 HydrophobicContact CG-CD1 4.32Å; L648-Y659 PolarHBondContact N-O 3.35Å; L648-Y659 PolarHBondContact O-N 3.49Å; Y659-T708 WeakPolarHBondContact CA-O 3.45Å; Y659-T708 HydrophobicContact CD2-CG2 4.25Å; Y659-H710 PolarHBondContact OH-CD2 2.81Å; Y659-A715 HydrophobicContact CD2-CB 4.21Å; Y659-A715 HydrophobicContact CE2-CB 4.17Å; Y659-L718 HydrophobicContact CD1-CD2 4.18Å; Y659-L718 HydrophobicContact CD2-CD2 4.04Å; Y659-L718 HydrophobicContact CG-CD2 3.75Å
660	H	97.8	Very high	96.7	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.019	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.6	173.9	-56.8	82	0	0	0	110.3	I664 A665 R668 D707 T708 E709 H710	H660-I664 HydrophobicContact CB-CG2 4.26Å; H660-A665 HydrophobicContact CB-CB 4.31Å; H660-R668 PolarHBondContact CE1-NH1 3.07Å; H660-D707 IonicContact CE1-OD1 2.66Å; H660-D707 PolarHBondContact CE1-OD1 2.97Å; H660-D707 IonicContact ND1-OD1 3.1Å; H660-D707 PolarHBondContact ND1-OD1 2.82Å; H660-T708 PolarHBondContact N-O 2.92Å; H660-T708 PolarHBondContact ND1-O 3.47Å; H660-E709 HydrophobicContact CB-CB 4.07Å; H660-E709 CarbonylContact O-C 3.55Å; H660-E709 WeakPolarHBondContact O-CA 3.4Å; H660-H710 PolarHBondContact O-N 2.82Å
661	G	96.7	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.			trans	-58.3	161.7	172.1	0	0	0	0	0	112.6	A644 R646 T663 I664 A665	A644-G661 CarbonylContact O-C 3.57Å; A644-G661 WeakPolarHBondContact O-CA 3.39Å; R646-G661 PolarHBondContact O-N 3.47Å; G661-T663 PolarHBondContact O-N 2.61Å; G661-I664 PolarHBondContact O-N 3.35Å; G661-A665 WeakPolarHBondContact O-CB 3.41Å; G661-A665 PolarHBondContact O-N 3.27Å
662	E	96.8	Very high	96.5	Very high	86 Å²	86	37.9 Å²	37.9	40%	0.402	18%	0.181	S	C	.	.	H	α-helix	trans	-52.8	-49.7	-172.6	-177.5	178.6	-163.6	0	0	113.5	A644 A665 Q666 H710	A644-E662 HydrophobicContact CB-CB 4.14Å; A644-E662 PolarHBondContact O-N 3.29Å; E662-A665 PolarHBondContact O-N 3.18Å; E662-Q666 WeakPolarHBondContact O-CG 3.37Å; E662-Q666 PolarHBondContact O-N 2.94Å; E662-Q666 VanDerWaalsContact O-N 3.08Å; E662-H710 HydrophobicContact CB-CB 4.06Å
663	T	95.6	Very high	96.4	Very high	41 Å²	41	39.2 Å²	39.2	25%	0.252	19%	0.186	S	C	.	.	H	α-helix	trans	-66	-43.7	-179	-53.6	0	0	0	0	111.1	A644 G661 A665 Q666 W667	A644-T663 WeakPolarHBondContact O-CB 3.29Å; A644-T663 PolarHBondContact O-N 3.34Å; G661-T663 PolarHBondContact O-N 2.61Å; T663-A665 VanDerWaalsContact C-N 3.34Å; T663-A665 PolarHBondContact O-N 2.83Å; T663-Q666 PolarHBondContact O-N 3.01Å; T663-W667 HydrophobicContact CG2-CD2 3.98Å; T663-W667 HydrophobicContact CG2-CE3 4.2Å; T663-W667 HydrophobicContact CG2-CH2 3.64Å; T663-W667 HydrophobicContact CG2-CZ2 3.38Å; T663-W667 HydrophobicContact CG2-CZ3 4.02Å; T663-W667 PolarHBondContact O-N 3.41Å
664	I	96.9	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-42.4	177.7	-58.8	-61.8	0	0	0	111.2	F628 A644 I647 H660 G661 Q666 W667 R668 F681 L684 L685	F628-I664 HydrophobicContact CE2-CD1 4.44Å; A644-I664 PolarHBondContact O-N 3Å; I647-I664 HydrophobicContact CD1-CG2 3.96Å; I647-I664 HydrophobicContact CG1-CB 4.48Å; I647-I664 HydrophobicContact CG1-CG1 4.37Å; I647-I664 HydrophobicContact CG1-CG2 3.73Å; H660-I664 HydrophobicContact CB-CG2 4.26Å; G661-I664 PolarHBondContact O-N 3.35Å; I664-Q666 VanDerWaalsContact C-N 3.34Å; I664-Q666 PolarHBondContact O-N 3.26Å; I664-W667 HydrophobicContact CD1-CE3 3.95Å; I664-W667 HydrophobicContact CD1-CZ3 3.98Å; I664-W667 PolarHBondContact O-N 3.06Å; I664-R668 WeakPolarHBondContact O-CB 3.38Å; I664-R668 PolarHBondContact O-N 2.97Å; I664-F681 HydrophobicContact CD1-CE2 4.06Å; I664-F681 HydrophobicContact CG2-CE2 3.98Å; I664-F681 HydrophobicContact CG2-CZ 4.22Å; I664-L684 HydrophobicContact CD1-CD2 4.06Å; I664-L685 HydrophobicContact CG2-CD2 3.99Å
665	A	96.3	Very high	96.2	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-40.6	178	0	0	0	0	0	111.7	H660 G661 E662 T663 R668 K669 E709	H660-A665 HydrophobicContact CB-CB 4.31Å; G661-A665 WeakPolarHBondContact O-CB 3.41Å; G661-A665 PolarHBondContact O-N 3.27Å; E662-A665 PolarHBondContact O-N 3.18Å; T663-A665 VanDerWaalsContact C-N 3.34Å; T663-A665 PolarHBondContact O-N 2.83Å; A665-R668 PolarHBondContact O-N 2.88Å; A665-K669 WeakPolarHBondContact O-CB 3.49Å; A665-K669 VanDerWaalsContact O-CG 3.29Å; A665-K669 WeakPolarHBondContact O-CG 3.24Å; A665-K669 PolarHBondContact O-N 3.4Å; A665-E709 HydrophobicContact CB-CB 3.89Å
666	Q	96.1	Very high	96.2	Very high	99 Å²	99	51 Å²	51	46%	0.463	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-43.7	175.1	-70.4	172.6	10.1	0	0	112	E662 T663 I664 K669 S670	E662-Q666 WeakPolarHBondContact O-CG 3.37Å; E662-Q666 PolarHBondContact O-N 2.94Å; E662-Q666 VanDerWaalsContact O-N 3.08Å; T663-Q666 PolarHBondContact O-N 3.01Å; I664-Q666 VanDerWaalsContact C-N 3.34Å; I664-Q666 PolarHBondContact O-N 3.26Å; Q666-K669 PolarHBondContact O-N 2.92Å; Q666-S670 WeakPolarHBondContact O-CB 3.43Å; Q666-S670 PolarHBondContact O-N 2.95Å; Q666-S670 PolarHBondContact O-OG 2.99Å
667	W	96.5	Very high	96.1	Very high	88 Å²	88	57.7 Å²	57.7	33%	0.333	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-41.6	176.8	-66.7	-18.2	0	0	0	112.6	F628 T663 I664 K669 S670 G671 Y672 F681	F628-W667 AromaticContact CE2-CZ3 3.9Å; F628-W667 HydrophobicContact CE2-CZ3 3.9Å; T663-W667 HydrophobicContact CG2-CD2 3.98Å; T663-W667 HydrophobicContact CG2-CE3 4.2Å; T663-W667 HydrophobicContact CG2-CH2 3.64Å; T663-W667 HydrophobicContact CG2-CZ2 3.38Å; T663-W667 HydrophobicContact CG2-CZ3 4.02Å; T663-W667 PolarHBondContact O-N 3.41Å; I664-W667 HydrophobicContact CD1-CE3 3.95Å; I664-W667 HydrophobicContact CD1-CZ3 3.98Å; I664-W667 PolarHBondContact O-N 3.06Å; W667-K669 VanDerWaalsContact C-N 3.35Å; W667-K669 PolarHBondContact O-N 2.84Å; W667-S670 PolarHBondContact O-N 2.71Å; W667-S670 VanDerWaalsContact O-N 3.16Å; W667-G671 PolarHBondContact O-N 2.99Å; W667-Y672 HydrophobicContact CB-CD2 4.01Å; W667-Y672 AromaticContact CD1-CD2 3.94Å; W667-Y672 AromaticContact CD1-CE2 3.7Å; W667-Y672 AromaticContact CG-CD2 3.96Å; W667-Y672 HydrophobicContact CG-CD2 3.96Å; W667-Y672 HydrophobicContact CG-CE2 4.19Å; W667-Y672 PolarHBondContact O-N 2.99Å; W667-F681 HydrophobicContact CB-CE1 3.77Å; W667-F681 HydrophobicContact CB-CE2 4.16Å; W667-F681 HydrophobicContact CB-CZ 3.49Å; W667-F681 VanDerWaalsContact CB-CZ 3.49Å; W667-F681 HydrophobicContact CE3-CD2 4.41Å; W667-F681 HydrophobicContact CE3-CE2 4.02Å
668	R	96.1	Very high	96	Very high	82 Å²	82	62.3 Å²	62.3	31%	0.309	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-44.6	175.1	-174.3	-174.1	-179.1	-164.4	10.3	111.5	H660 I664 A665 S670 G671 Q673 F681 L685 D707	H660-R668 PolarHBondContact CE1-NH1 3.07Å; I664-R668 WeakPolarHBondContact O-CB 3.38Å; I664-R668 PolarHBondContact O-N 2.97Å; A665-R668 PolarHBondContact O-N 2.88Å; R668-S670 VanDerWaalsContact C-N 3.29Å; R668-S670 PolarHBondContact O-N 2.79Å; R668-G671 PolarHBondContact O-N 3.36Å; R668-Q673 PolarHBondContact O-NE2 2.69Å; R668-Q673 PolarHBondContact O-OE1 3.42Å; R668-F681 HydrophobicContact CB-CZ 4.38Å; R668-L685 HydrophobicContact CB-CD1 4.46Å; R668-L685 HydrophobicContact CG-CD1 4.15Å; R668-L685 HydrophobicContact CG-CD2 4.47Å; R668-D707 IonicContact CZ-OD2 3.61Å; R668-D707 IonicContact NH1-OD1 3.19Å; R668-D707 PolarHBondContact NH1-OD1 2.94Å; R668-D707 IonicContact NH1-OD2 3.39Å; R668-D707 PolarHBondContact NH1-OD2 3.39Å; R668-D707 IonicContact NH2-OD2 2.92Å; R668-D707 PolarHBondContact NH2-OD2 2.67Å
669	K	95.6	Very high	95.8	Very high	140 Å²	140	68.3 Å²	68.3	61%	0.609	33%	0.333	S	S	*	.	H	α-helix	trans	-66.3	-30.4	176.8	-74.5	174.2	-175.4	175	0	113.2	A665 Q666 W667 G671 E709	A665-K669 WeakPolarHBondContact O-CB 3.49Å; A665-K669 VanDerWaalsContact O-CG 3.29Å; A665-K669 WeakPolarHBondContact O-CG 3.24Å; A665-K669 PolarHBondContact O-N 3.4Å; Q666-K669 PolarHBondContact O-N 2.92Å; W667-K669 VanDerWaalsContact C-N 3.35Å; W667-K669 PolarHBondContact O-N 2.84Å; K669-G671 PolarHBondContact O-N 3.44Å; K669-E709 WeakPolarHBondContact CE-OE1 3.41Å; K669-E709 VanDerWaalsContact CE-OE2 3.25Å; K669-E709 WeakPolarHBondContact CE-OE2 3.48Å; K669-E709 IonicContact NZ-OE1 3.21Å; K669-E709 PolarHBondContact NZ-OE1 2.95Å; K669-E709 IonicContact NZ-OE2 3.62Å
670	S	96.1	Very high	95.6	Very high	71 Å²	71	72 Å²	72	50%	0.497	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.6	177.9	-56.4	0	0	0	0	113.2	Q666 W667 R668	Q666-S670 WeakPolarHBondContact O-CB 3.43Å; Q666-S670 PolarHBondContact O-N 2.95Å; Q666-S670 PolarHBondContact O-OG 2.99Å; W667-S670 PolarHBondContact O-N 2.71Å; W667-S670 VanDerWaalsContact O-N 3.16Å; R668-S670 VanDerWaalsContact C-N 3.29Å; R668-S670 PolarHBondContact O-N 2.79Å
671	G	95.9	Very high	95.5	Very high	17 Å²	17	72 Å²	72	18%	0.175	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	22.9	175.9	0	0	0	0	0	114.4	W667 R668 K669 Q673 D674	W667-G671 PolarHBondContact O-N 2.99Å; R668-G671 PolarHBondContact O-N 3.36Å; K669-G671 PolarHBondContact O-N 3.44Å; G671-Q673 PolarHBondContact O-N 3.45Å; G671-D674 PolarHBondContact O-N 2.88Å; G671-D674 VanDerWaalsContact O-N 3.12Å
672	Y	95.1	Very high	95.5	Very high	80 Å²	80	79.9 Å²	79.9	31%	0.314	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-61.4	-31.1	-178.3	-75	2.4	0	0	0	112.4	W667 D674 M675 Y678	W667-Y672 HydrophobicContact CB-CD2 4.01Å; W667-Y672 AromaticContact CD1-CD2 3.94Å; W667-Y672 AromaticContact CD1-CE2 3.7Å; W667-Y672 AromaticContact CG-CD2 3.96Å; W667-Y672 HydrophobicContact CG-CD2 3.96Å; W667-Y672 HydrophobicContact CG-CE2 4.19Å; W667-Y672 PolarHBondContact O-N 2.99Å; Y672-D674 PolarHBondContact O-N 2.92Å; Y672-D674 VanDerWaalsContact O-N 3.17Å; Y672-M675 HydrophobicContact CD1-CE 4.02Å; Y672-M675 HydrophobicContact CD1-SD 4.15Å; Y672-M675 HydrophobicContact CE1-CE 4.34Å; Y672-M675 WeakPolarHBondContact O-CB 3.41Å; Y672-M675 PolarHBondContact O-N 3.24Å; Y672-M675 VanDerWaalsContact O-N 3.13Å; Y672-Y678 HydrophobicContact CG-CD2 4.3Å; Y672-Y678 HydrophobicContact CG-CE2 4.39Å; Y672-Y678 WeakPolarHBondContact O-CB 3.34Å
673	Q	94.1	Very high	95.4	Very high	39 Å²	39	82 Å²	82	18%	0.182	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-62.7	-18.9	177	65.6	-82.7	4.6	0	0	115	R668 G671 F681 R682 L685	R668-Q673 PolarHBondContact O-NE2 2.69Å; R668-Q673 PolarHBondContact O-OE1 3.42Å; G671-Q673 PolarHBondContact O-N 3.45Å; Q673-F681 HydrophobicContact CB-CD1 4.11Å; Q673-F681 HydrophobicContact CB-CE1 4.45Å; Q673-R682 HydrophobicContact CB-CB 4.25Å; Q673-L685 HydrophobicContact CB-CD1 3.88Å; Q673-L685 HydrophobicContact CG-CD1 4.15Å
674	D	94.8	Very high	95.5	Very high	132 Å²	132	80.9 Å²	80.9	71%	0.706	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-91.3	-9	-179.7	-59.5	-42.8	0	0	0	112.1	G671 Y672	G671-D674 PolarHBondContact O-N 2.88Å; G671-D674 VanDerWaalsContact O-N 3.12Å; Y672-D674 PolarHBondContact O-N 2.92Å; Y672-D674 VanDerWaalsContact O-N 3.17Å
675	M	95.1	Very high	95.5	Very high	76 Å²	76	81.8 Å²	81.8	37%	0.374	39%	0.39	S	S	.	.	S	Bend	trans	-88.1	134.2	179.1	-59.4	-178.2	-177.1	0	0	110.4	Y672 E677 Y678	Y672-M675 HydrophobicContact CD1-CE 4.02Å; Y672-M675 HydrophobicContact CD1-SD 4.15Å; Y672-M675 HydrophobicContact CE1-CE 4.34Å; Y672-M675 WeakPolarHBondContact O-CB 3.41Å; Y672-M675 PolarHBondContact O-N 3.24Å; Y672-M675 VanDerWaalsContact O-N 3.13Å; M675-E677 WeakPolarHBondContact CB-OE2 3.24Å; M675-E677 PolarHBondContact O-N 3.46Å; M675-Y678 HydrophobicContact CB-CD2 3.96Å; M675-Y678 PolarHBondContact O-N 3.34Å; M675-Y678 VanDerWaalsContact O-N 3.13Å; M675-Y678 HydrophobicContact SD-CD2 4.03Å; M675-Y678 HydrophobicContact SD-CE2 3.93Å
676	P	94.2	Very high	95.5	Very high	98 Å²	98	85.9 Å²	85.9	64%	0.636	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-64.6	-21.2	-178.5	27.4	-34.8	0	0	0	113.1	Y678	P676-Y678 VanDerWaalsContact C-N 3.27Å; P676-Y678 PolarHBondContact O-N 2.84Å
677	E	94.6	Very high	95.5	Very high	139 Å²	139	82.7 Å²	82.7	65%	0.65	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-71.6	-20	176.9	-57.5	84.4	177.9	0	0	113.3	M675	M675-E677 WeakPolarHBondContact CB-OE2 3.24Å; M675-E677 PolarHBondContact O-N 3.46Å
678	Y	94.6	Very high	95.6	Very high	98 Å²	98	78.5 Å²	78.5	38%	0.384	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-118	38.9	-173.6	-58.1	-66.2	0	0	0	113.2	Y672 M675 P676 N680 F681 R682	Y672-Y678 HydrophobicContact CG-CD2 4.3Å; Y672-Y678 HydrophobicContact CG-CE2 4.39Å; Y672-Y678 WeakPolarHBondContact O-CB 3.34Å; M675-Y678 HydrophobicContact CB-CD2 3.96Å; M675-Y678 PolarHBondContact O-N 3.34Å; M675-Y678 VanDerWaalsContact O-N 3.13Å; M675-Y678 HydrophobicContact SD-CD2 4.03Å; M675-Y678 HydrophobicContact SD-CE2 3.93Å; P676-Y678 VanDerWaalsContact C-N 3.27Å; P676-Y678 PolarHBondContact O-N 2.84Å; Y678-N680 WeakPolarHBondContact CA-OD1 3.47Å; Y678-N680 PolarHBondContact O-N 2.71Å; Y678-F681 WeakPolarHBondContact O-CB 3.35Å; Y678-F681 PolarHBondContact O-N 2.83Å; Y678-R682 PolarHBondContact O-N 3.1Å
679	E	94.6	Very high	95.6	Very high	127 Å²	127	76.2 Å²	76.2	59%	0.593	38%	0.378	S	S	*	.	H	α-helix	trans	-53.7	-35.7	173.3	-72.9	178.4	178	0	0	112.5	F681 R682 H683	E679-F681 VanDerWaalsContact C-N 3.33Å; E679-F681 PolarHBondContact O-N 2.87Å; E679-R682 WeakPolarHBondContact O-CB 3.39Å; E679-R682 PolarHBondContact O-N 2.99Å; E679-H683 PolarHBondContact O-CD2 3.46Å; E679-H683 PolarHBondContact O-N 3.2Å
680	N	93.8	Very high	95.6	Very high	90 Å²	90	73.7 Å²	73.7	48%	0.481	37%	0.371	S	S	.	.	H	α-helix	trans	-59.4	-39.2	175.2	62.8	-21.9	0	0	0	113.1	F628 Y678 H683 L684	F628-N680 HydrophobicContact CE1-CB 4.36Å; Y678-N680 WeakPolarHBondContact CA-OD1 3.47Å; Y678-N680 PolarHBondContact O-N 2.71Å; N680-H683 PolarHBondContact O-N 2.88Å; N680-L684 PolarHBondContact O-N 3.32Å
681	F	96.4	Very high	95.6	Very high	4 Å²	4	73.2 Å²	73.2	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-71	-36.8	177.2	-176.6	-123.1	0	0	0	111.5	F628 I664 W667 R668 Q673 Y678 E679 H683 L684 L685	F628-F681 HydrophobicContact CE2-CD2 4.45Å; F628-F681 HydrophobicContact CZ-CB 4.23Å; F628-F681 AromaticContact CZ-CD2 3.8Å; F628-F681 HydrophobicContact CZ-CD2 3.8Å; F628-F681 HydrophobicContact CZ-CG 4.48Å; I664-F681 HydrophobicContact CD1-CE2 4.06Å; I664-F681 HydrophobicContact CG2-CE2 3.98Å; I664-F681 HydrophobicContact CG2-CZ 4.22Å; W667-F681 HydrophobicContact CB-CE1 3.77Å; W667-F681 HydrophobicContact CB-CE2 4.16Å; W667-F681 HydrophobicContact CB-CZ 3.49Å; W667-F681 VanDerWaalsContact CB-CZ 3.49Å; W667-F681 HydrophobicContact CE3-CD2 4.41Å; W667-F681 HydrophobicContact CE3-CE2 4.02Å; R668-F681 HydrophobicContact CB-CZ 4.38Å; Q673-F681 HydrophobicContact CB-CD1 4.11Å; Q673-F681 HydrophobicContact CB-CE1 4.45Å; Y678-F681 WeakPolarHBondContact O-CB 3.35Å; Y678-F681 PolarHBondContact O-N 2.83Å; E679-F681 VanDerWaalsContact C-N 3.33Å; E679-F681 PolarHBondContact O-N 2.87Å; F681-H683 VanDerWaalsContact C-N 3.34Å; F681-H683 PolarHBondContact O-N 2.84Å; F681-L684 HydrophobicContact CD2-CD2 4.33Å; F681-L684 PolarHBondContact O-N 2.95Å; F681-L685 HydrophobicContact CD1-CD1 4.21Å; F681-L685 HydrophobicContact CE1-CD1 3.76Å; F681-L685 HydrophobicContact CE1-CG 4.34Å; F681-L685 HydrophobicContact CE2-CD2 4.3Å; F681-L685 HydrophobicContact CE2-CG 4.24Å; F681-L685 HydrophobicContact CZ-CD1 3.93Å; F681-L685 HydrophobicContact CZ-CD2 4.11Å; F681-L685 HydrophobicContact CZ-CG 4.1Å; F681-L685 WeakPolarHBondContact O-CG 3.43Å; F681-L685 PolarHBondContact O-N 2.98Å
682	R	95.9	Very high	95.6	Very high	165 Å²	165	72.4 Å²	72.4	62%	0.623	36%	0.355	S	S	*	.	H	α-helix	trans	-59.6	-44.6	171.9	-176.1	179.2	176.9	169.9	1	111.5	Q673 Y678 E679 L685 Q686	Q673-R682 HydrophobicContact CB-CB 4.25Å; Y678-R682 PolarHBondContact O-N 3.1Å; E679-R682 WeakPolarHBondContact O-CB 3.39Å; E679-R682 PolarHBondContact O-N 2.99Å; R682-L685 PolarHBondContact O-N 2.8Å; R682-Q686 WeakPolarHBondContact O-CB 3.33Å; R682-Q686 PolarHBondContact O-N 2.85Å; R682-Q686 VanDerWaalsContact O-N 3.1Å
683	H	95.4	Very high	95.4	Very high	132 Å²	132	72 Å²	72	61%	0.611	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-40.9	174.7	-75.7	-64	0	0	0	112.6	E679 N680 F681 L685 Q686 A687	E679-H683 PolarHBondContact O-CD2 3.46Å; E679-H683 PolarHBondContact O-N 3.2Å; N680-H683 PolarHBondContact O-N 2.88Å; F681-H683 VanDerWaalsContact C-N 3.34Å; F681-H683 PolarHBondContact O-N 2.84Å; H683-L685 VanDerWaalsContact C-N 3.34Å; H683-L685 PolarHBondContact O-N 2.97Å; H683-Q686 PolarHBondContact O-N 3.19Å; H683-A687 WeakPolarHBondContact O-CB 3.33Å; H683-A687 PolarHBondContact O-N 3.25Å
684	L	96.8	Very high	95.3	Very high	16 Å²	16	77 Å²	77	8%	0.084	38%	0.379	C	S	.	.	H	α-helix	trans	-60.7	-41.3	177.2	-179.6	62.9	0	0	0	112.4	F628 I647 I664 N680 F681 P688	F628-L684 HydrophobicContact CD1-CD2 4.34Å; F628-L684 HydrophobicContact CD2-CD2 3.87Å; F628-L684 HydrophobicContact CE1-CB 4.5Å; F628-L684 HydrophobicContact CE1-CD2 4Å; F628-L684 HydrophobicContact CE2-CD2 3.47Å; F628-L684 VanDerWaalsContact CE2-CD2 3.47Å; F628-L684 HydrophobicContact CG-CD2 4.3Å; F628-L684 HydrophobicContact CZ-CD2 3.58Å; I647-L684 HydrophobicContact CD1-CG 3.97Å; I647-L684 WeakPolarHBondContact CD1-O 3.14Å; I664-L684 HydrophobicContact CD1-CD2 4.06Å; N680-L684 PolarHBondContact O-N 3.32Å; F681-L684 HydrophobicContact CD2-CD2 4.33Å; F681-L684 PolarHBondContact O-N 2.95Å; L684-P688 WeakPolarHBondContact O-CD 3.24Å
685	L	96.8	Very high	95.2	Very high	20 Å²	20	72.4 Å²	72.4	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-69.6	-35	176.7	-68.3	174.9	0	0	0	112.7	I647 I664 R668 Q673 F681 R682 H683	I647-L685 HydrophobicContact CD1-CD2 3.81Å; I664-L685 HydrophobicContact CG2-CD2 3.99Å; R668-L685 HydrophobicContact CB-CD1 4.46Å; R668-L685 HydrophobicContact CG-CD1 4.15Å; R668-L685 HydrophobicContact CG-CD2 4.47Å; Q673-L685 HydrophobicContact CB-CD1 3.88Å; Q673-L685 HydrophobicContact CG-CD1 4.15Å; F681-L685 HydrophobicContact CD1-CD1 4.21Å; F681-L685 HydrophobicContact CE1-CD1 3.76Å; F681-L685 HydrophobicContact CE1-CG 4.34Å; F681-L685 HydrophobicContact CE2-CD2 4.3Å; F681-L685 HydrophobicContact CE2-CG 4.24Å; F681-L685 HydrophobicContact CZ-CD1 3.93Å; F681-L685 HydrophobicContact CZ-CD2 4.11Å; F681-L685 HydrophobicContact CZ-CG 4.1Å; F681-L685 WeakPolarHBondContact O-CG 3.43Å; F681-L685 PolarHBondContact O-N 2.98Å; R682-L685 PolarHBondContact O-N 2.8Å; H683-L685 VanDerWaalsContact C-N 3.34Å; H683-L685 PolarHBondContact O-N 2.97Å
686	Q	97.2	Very high	95	Very high	90 Å²	90	68.9 Å²	68.9	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-80.1	-35.5	-175.3	-170	60.9	47	0	0	113	R682 H683 V689 D690	R682-Q686 WeakPolarHBondContact O-CB 3.33Å; R682-Q686 PolarHBondContact O-N 2.85Å; R682-Q686 VanDerWaalsContact O-N 3.1Å; H683-Q686 PolarHBondContact O-N 3.19Å; Q686-V689 WeakPolarHBondContact O-CA 3.34Å; Q686-V689 WeakPolarHBondContact O-CB 3.28Å; Q686-V689 PolarHBondContact O-N 3.4Å; Q686-D690 PolarHBondContact NE2-OD1 3.28Å; Q686-D690 PolarHBondContact O-N 3.48Å
687	A	96.8	Very high	94.6	Very high	33 Å²	33	69.9 Å²	69.9	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-50.8	-52.4	-177.8	0	0	0	0	0	114.7	Y626 H683 V689 D690 D691	Y626-A687 HydrophobicContact CD1-CB 3.95Å; Y626-A687 HydrophobicContact CE1-CB 4.08Å; H683-A687 WeakPolarHBondContact O-CB 3.33Å; H683-A687 PolarHBondContact O-N 3.25Å; A687-V689 PolarHBondContact O-N 3.2Å; A687-D690 PolarHBondContact O-N 2.94Å; A687-D691 PolarHBondContact O-N 2.98Å; A687-D691 VanDerWaalsContact O-N 3.11Å
688	P	96.9	Very high	94.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.8	-23.8	178.3	26.8	-34.8	0	0	0	113.1	Y626 I647 L649 I658 L684 A692	Y626-P688 HydrophobicContact CD1-CB 4.27Å; Y626-P688 HydrophobicContact CD1-CG 4.46Å; Y626-P688 HydrophobicContact CD2-CB 4.01Å; Y626-P688 HydrophobicContact CE1-CB 4.06Å; Y626-P688 HydrophobicContact CE2-CB 3.84Å; Y626-P688 HydrophobicContact CG-CB 4.27Å; Y626-P688 HydrophobicContact CG-CG 4.44Å; I647-P688 HydrophobicContact CD1-CG 4.48Å; I647-P688 HydrophobicContact CG2-CB 4.42Å; I647-P688 HydrophobicContact CG2-CG 3.89Å; L649-P688 HydrophobicContact CB-CB 4.39Å; I658-P688 HydrophobicContact CD1-CB 4.12Å; I658-P688 HydrophobicContact CG1-CB 4.49Å; I658-P688 HydrophobicContact CG2-CG 4.47Å; L684-P688 WeakPolarHBondContact O-CD 3.24Å; P688-A692 WeakPolarHBondContact O-CB 3.39Å; P688-A692 PolarHBondContact O-N 3.13Å
689	V	97.3	Very high	94.3	Very high	33 Å²	33	63.9 Å²	63.9	20%	0.2	32%	0.318	C	S	.	.	H	α-helix	trans	-71.4	-44	174.7	179.9	0	0	0	0	110	I658 Q686 A687 A692 Q693	I658-V689 HydrophobicContact CD1-CB 4.41Å; I658-V689 HydrophobicContact CD1-CG2 3.78Å; Q686-V689 WeakPolarHBondContact O-CA 3.34Å; Q686-V689 WeakPolarHBondContact O-CB 3.28Å; Q686-V689 PolarHBondContact O-N 3.4Å; A687-V689 PolarHBondContact O-N 3.2Å; V689-A692 WeakPolarHBondContact O-CB 3.5Å; V689-A692 PolarHBondContact O-N 2.97Å; V689-Q693 WeakPolarHBondContact O-CG 3.4Å; V689-Q693 PolarHBondContact O-N 2.88Å
690	D	96.2	Very high	94.2	Very high	88 Å²	88	59.5 Å²	59.5	47%	0.471	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-47.1	178.6	-67	-15.1	0	0	0	111.1	Q686 A687 A692 Q693 E694	Q686-D690 PolarHBondContact NE2-OD1 3.28Å; Q686-D690 PolarHBondContact O-N 3.48Å; A687-D690 PolarHBondContact O-N 2.94Å; D690-A692 VanDerWaalsContact C-N 3.32Å; D690-A692 PolarHBondContact O-N 3.41Å; D690-Q693 PolarHBondContact O-N 3.33Å; D690-Q693 VanDerWaalsContact O-N 3.14Å; D690-E694 PolarHBondContact O-N 3.29Å; D690-E694 VanDerWaalsContact O-N 3.15Å
691	D	95.3	Very high	94.3	Very high	61 Å²	61	55.4 Å²	55.4	33%	0.326	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-40.7	176	-66.4	-15.8	0	0	0	111.5	Y626 L649 A687 Q693 E694 I695	Y626-D691 WeakPolarHBondContact CE1-OD2 3.32Å; Y626-D691 PolarHBondContact OH-OD2 3.03Å; L649-D691 HydrophobicContact CD2-CB 3.9Å; A687-D691 PolarHBondContact O-N 2.98Å; A687-D691 VanDerWaalsContact O-N 3.11Å; D691-Q693 PolarHBondContact O-N 3.47Å; D691-E694 PolarHBondContact O-N 3.41Å; D691-I695 PolarHBondContact O-N 3.26Å
692	A	95.1	Very high	94.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-39.9	174.5	0	0	0	0	0	112.4	L649 I656 I658 P688 V689 D690 I695 L696 Y705	L649-A692 HydrophobicContact CD1-CB 4Å; I656-A692 HydrophobicContact CG2-CB 3.65Å; I658-A692 HydrophobicContact CD1-CB 4.33Å; P688-A692 WeakPolarHBondContact O-CB 3.39Å; P688-A692 PolarHBondContact O-N 3.13Å; V689-A692 WeakPolarHBondContact O-CB 3.5Å; V689-A692 PolarHBondContact O-N 2.97Å; D690-A692 VanDerWaalsContact C-N 3.32Å; D690-A692 PolarHBondContact O-N 3.41Å; A692-I695 PolarHBondContact O-N 2.85Å; A692-L696 VanDerWaalsContact O-CB 3.32Å; A692-L696 WeakPolarHBondContact O-CB 3.21Å; A692-L696 WeakPolarHBondContact O-CD1 3.37Å; A692-L696 WeakPolarHBondContact O-CG 3.49Å; A692-L696 PolarHBondContact O-N 3.38Å; A692-Y705 HydrophobicContact CB-CD2 4.49Å; A692-Y705 HydrophobicContact CB-CE2 3.96Å
693	Q	92.5	Very high	94.1	Very high	72 Å²	72	48.5 Å²	48.5	34%	0.336	25%	0.25	S	S	.	.	H	α-helix	trans	-64	-39.6	178.2	-71.1	-54.1	-43	0	0	111.8	V689 D690 D691 I695 L696 H697	V689-Q693 WeakPolarHBondContact O-CG 3.4Å; V689-Q693 PolarHBondContact O-N 2.88Å; D690-Q693 PolarHBondContact O-N 3.33Å; D690-Q693 VanDerWaalsContact O-N 3.14Å; D691-Q693 PolarHBondContact O-N 3.47Å; Q693-I695 VanDerWaalsContact C-N 3.34Å; Q693-I695 PolarHBondContact O-N 3.09Å; Q693-L696 PolarHBondContact O-N 3.48Å; Q693-H697 PolarHBondContact O-CD2 2.89Å; Q693-H697 PolarHBondContact O-N 3.3Å
694	E	92.1	Very high	94	Very high	142 Å²	142	47 Å²	47	66%	0.664	24%	0.24	S	C	*	.	H	α-helix	trans	-58.8	-45.8	177.2	-172.8	178.8	-176.4	0	0	111.8	D690 D691 H697 S698	D690-E694 PolarHBondContact O-N 3.29Å; D690-E694 VanDerWaalsContact O-N 3.15Å; D691-E694 PolarHBondContact O-N 3.41Å; E694-H697 PolarHBondContact O-N 3.45Å; E694-S698 PolarHBondContact O-N 3.43Å; E694-S698 PolarHBondContact O-OG 3.27Å; E694-S698 VanDerWaalsContact O-OG 3.06Å
695	I	91.9	Very high	93.8	Very high	36 Å²	36	50.1 Å²	50.1	19%	0.185	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-44	176.1	-58.7	167.7	0	0	0	110.3	I656 D691 A692 Q693 H697 S698 R699	I656-I695 HydrophobicContact CD1-CB 4.38Å; I656-I695 HydrophobicContact CD1-CD1 4.34Å; I656-I695 HydrophobicContact CD1-CG2 3.78Å; I656-I695 HydrophobicContact CG1-CG2 4.42Å; D691-I695 PolarHBondContact O-N 3.26Å; A692-I695 PolarHBondContact O-N 2.85Å; Q693-I695 VanDerWaalsContact C-N 3.34Å; Q693-I695 PolarHBondContact O-N 3.09Å; I695-H697 PolarHBondContact O-N 3.46Å; I695-S698 PolarHBondContact O-N 2.64Å; I695-S698 PolarHBondContact O-OG 3.02Å; I695-R699 VanDerWaalsContact CG2-CZ 3.45Å; I695-R699 WeakPolarHBondContact O-CB 3.35Å; I695-R699 PolarHBondContact O-N 3.1Å; I695-R699 VanDerWaalsContact O-N 3.16Å
696	L	89.9	Confident	93.8	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-34.6	179.2	-79.8	166.3	0	0	0	111.8	R388 A692 Q693 M702 P703 Y705	R388-L696 PolarHBondContact NH1-O 2.87Å; R388-L696 PolarHBondContact NH2-O 3.27Å; A692-L696 VanDerWaalsContact O-CB 3.32Å; A692-L696 WeakPolarHBondContact O-CB 3.21Å; A692-L696 WeakPolarHBondContact O-CD1 3.37Å; A692-L696 WeakPolarHBondContact O-CG 3.49Å; A692-L696 PolarHBondContact O-N 3.38Å; Q693-L696 PolarHBondContact O-N 3.48Å; L696-M702 HydrophobicContact CB-CE 4.49Å; L696-M702 HydrophobicContact CD2-CE 3.82Å; L696-M702 HydrophobicContact CD2-CG 4.2Å; L696-P703 HydrophobicContact CD2-CG 3.72Å; L696-P703 WeakPolarHBondContact CD2-O 3.36Å; L696-Y705 HydrophobicContact CD1-CD2 3.7Å; L696-Y705 HydrophobicContact CD1-CE2 4.38Å; L696-Y705 HydrophobicContact CD1-CG 4.16Å
697	H	86.9	Confident	93.7	Very high	119 Å²	119	47.7 Å²	47.7	55%	0.551	24%	0.241	S	C	*	.	H	α-helix	trans	-79	-30	-178.6	-77.8	-59.8	0	0	0	114.4	R388 Q693 E694 I695	R388-H697 PolarHBondContact NH1-O 3.01Å; Q693-H697 PolarHBondContact O-CD2 2.89Å; Q693-H697 PolarHBondContact O-N 3.3Å; E694-H697 PolarHBondContact O-N 3.45Å; I695-H697 PolarHBondContact O-N 3.46Å
698	S	88	Confident	93.7	Very high	94 Å²	94	46.6 Å²	46.6	66%	0.657	23%	0.23	S	C	*	.	H	α-helix	trans	-93.4	-35.2	-172.7	56.5	0	0	0	0	113.9	E694 I695	E694-S698 PolarHBondContact O-N 3.43Å; E694-S698 PolarHBondContact O-OG 3.27Å; E694-S698 VanDerWaalsContact O-OG 3.06Å; I695-S698 PolarHBondContact O-N 2.64Å; I695-S698 PolarHBondContact O-OG 3.02Å
699	R	94.1	Very high	93.7	Very high	17 Å²	17	48.7 Å²	48.7	6%	0.064	24%	0.24	C	C	.	.			trans	-71.9	144.4	-170.9	-172	170.9	-73	151	2.4	113.3	R388 D651 F653 I695 P701	R388-R699 PolarHBondContact NH1-O 3.03Å; D651-R699 VanDerWaalsContact CG-NH1 3.33Å; D651-R699 IonicContact OD1-CZ 3.51Å; D651-R699 IonicContact OD1-NH1 2.71Å; D651-R699 PolarHBondContact OD1-NH1 3.31Å; D651-R699 IonicContact OD1-NH2 3.01Å; D651-R699 IonicContact OD2-CZ 3.86Å; D651-R699 IonicContact OD2-NH1 3.06Å; D651-R699 PolarHBondContact OD2-NH1 2.78Å; D651-R699 IonicContact OD2-NH2 2.71Å; D651-R699 PolarHBondContact OD2-NH2 3.06Å; F653-R699 VanDerWaalsContact CA-NH1 3.32Å; F653-R699 HydrophobicContact CD2-CG 4.4Å; F653-R699 HydrophobicContact CE2-CG 3.88Å; F653-R699 HydrophobicContact CZ-CG 4.24Å; F653-R699 VanDerWaalsContact O-CD 3.25Å; F653-R699 WeakPolarHBondContact O-CD 3.27Å; F653-R699 PolarHBondContact O-NH1 3.33Å; F653-R699 VanDerWaalsContact O-NH1 3.12Å; I695-R699 VanDerWaalsContact CG2-CZ 3.45Å; I695-R699 WeakPolarHBondContact O-CB 3.35Å; I695-R699 PolarHBondContact O-N 3.1Å; I695-R699 VanDerWaalsContact O-N 3.16Å; R699-P701 CarbonylContact C-O 3.43Å; R699-P701 CarbonylContact O-C 3.56Å
700	F	93.8	Very high	93.5	Very high	36 Å²	36	51.4 Å²	51.4	16%	0.158	25%	0.251	C	S	.	.	S	Bend	trans	-123	129	166.8	178.6	-89.6	0	0	0	110.5	Y370 T385 R388 V389 Q610	Y370-F700 AromaticContact CD1-CE1 3.48Å; Y370-F700 HydrophobicContact CD1-CE1 3.48Å; Y370-F700 VanDerWaalsContact CD1-CE1 3.48Å; Y370-F700 AromaticContact CD1-CZ 3.82Å; Y370-F700 HydrophobicContact CD1-CZ 3.82Å; Y370-F700 HydrophobicContact CD2-CE1 4.48Å; Y370-F700 HydrophobicContact CD2-CZ 4Å; Y370-F700 AromaticContact CE1-CE1 3.76Å; Y370-F700 HydrophobicContact CE1-CE1 3.76Å; Y370-F700 HydrophobicContact CE1-CZ 4.22Å; Y370-F700 HydrophobicContact CE2-CZ 4.39Å; Y370-F700 AromaticContact CG-CE1 3.88Å; Y370-F700 HydrophobicContact CG-CE1 3.88Å; Y370-F700 AromaticContact CG-CZ 3.7Å; Y370-F700 HydrophobicContact CG-CZ 3.7Å; T385-F700 HydrophobicContact CG2-CD2 4.32Å; T385-F700 HydrophobicContact CG2-CE2 3.85Å; R388-F700 HydrophobicContact CB-CD2 4.08Å; V389-F700 HydrophobicContact CG2-CE2 3.79Å; V389-F700 HydrophobicContact CG2-CZ 4.13Å; Q610-F700 PolarHBondContact NE2-O 2.81Å
701	P	94.4	Very high	93.1	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.026	27%	0.266	C	S	.	.	S	Bend	cis	-68.3	167.5	-7.8	29.6	-32.8	0	0	0	111.4	T385 Y602 H606 R699	T385-P701 HydrophobicContact CG2-CB 3.68Å; Y602-P701 WeakPolarHBondContact OH-CG 3.44Å; H606-P701 VanDerWaalsContact CE1-CD 3.4Å; H606-P701 WeakPolarHBondContact CE1-CD 3.48Å; R699-P701 CarbonylContact C-O 3.43Å; R699-P701 CarbonylContact O-C 3.56Å
702	M	94.1	Very high	92.9	Very high	20 Å²	20	49 Å²	49	10%	0.099	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-63.1	131.1	174.1	-176.4	179	178.3	0	0	108.7	L381 Q384 T385 L696	L381-M702 HydrophobicContact CD1-CB 4.09Å; L381-M702 HydrophobicContact CD1-CG 4.11Å; L381-M702 WeakPolarHBondContact CD1-O 3.46Å; Q384-M702 HydrophobicContact CB-SD 3.7Å; Q384-M702 HydrophobicContact CG-SD 4.17Å; T385-M702 VanDerWaalsContact OG1-CB 3.27Å; T385-M702 WeakPolarHBondContact OG1-CB 3.3Å; T385-M702 PolarHBondContact OG1-N 3.44Å; T385-M702 VanDerWaalsContact OG1-N 3.12Å; L696-M702 HydrophobicContact CB-CE 4.49Å; L696-M702 HydrophobicContact CD2-CE 3.82Å; L696-M702 HydrophobicContact CD2-CG 4.2Å
703	P	94.4	Very high	92.7	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.019	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-75.5	156.3	176.9	26	-29.4	0	0	0	111.9	F653 F654 I656 L696 Y705	F653-P703 WeakPolarHBondContact O-CB 3.5Å; F654-P703 VanDerWaalsContact O-CA 3.31Å; F654-P703 WeakPolarHBondContact O-CA 3.46Å; F654-P703 WeakPolarHBondContact O-CB 3.29Å; I656-P703 HydrophobicContact CD1-CG 4.39Å; I656-P703 HydrophobicContact CG1-CB 4.05Å; I656-P703 HydrophobicContact CG1-CG 3.65Å; L696-P703 HydrophobicContact CD2-CG 3.72Å; L696-P703 WeakPolarHBondContact CD2-O 3.36Å; P703-Y705 PolarHBondContact O-N 3.46Å
704	R	92.9	Very high	92.7	Very high	102 Å²	102	53.9 Å²	53.9	39%	0.385	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.7	170.4	-177	-179	179.2	153.6	5.1	109.3	F654 Q655 I656 I706	F654-R704 PolarHBondContact O-N 3.35Å; Q655-R704 CarbonylContact C-O 3.59Å; Q655-R704 VanDerWaalsContact CA-O 3.24Å; Q655-R704 WeakPolarHBondContact CA-O 3.45Å; Q655-R704 HydrophobicContact CG-CB 4.3Å; I656-R704 PolarHBondContact N-O 2.79Å; R704-I706 HydrophobicContact CG-CG1 4.29Å
705	Y	94	Very high	92.6	Very high	81 Å²	81	47.5 Å²	47.5	32%	0.318	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.1	174.8	-179.2	-102.7	0	0	0	111.1	I656 I658 A692 L696 P703 D707	I656-Y705 HydrophobicContact CB-CD2 4.45Å; I656-Y705 HydrophobicContact CG2-CD2 4.32Å; I656-Y705 CarbonylContact O-C 3.5Å; I656-Y705 WeakPolarHBondContact O-CA 3.33Å; I658-Y705 HydrophobicContact CD1-CE2 4.06Å; I658-Y705 WeakPolarHBondContact CD1-OH 3.21Å; I658-Y705 HydrophobicContact CG1-CE2 4.44Å; A692-Y705 HydrophobicContact CB-CD2 4.49Å; A692-Y705 HydrophobicContact CB-CE2 3.96Å; L696-Y705 HydrophobicContact CD1-CD2 3.7Å; L696-Y705 HydrophobicContact CD1-CE2 4.38Å; L696-Y705 HydrophobicContact CD1-CG 4.16Å; P703-Y705 PolarHBondContact O-N 3.46Å; Y705-D707 HydrophobicContact CE1-CB 4.25Å
706	I	95.1	Very high	92.6	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122.4	-177.3	-61.7	177	0	0	0	108.5	Q655 I656 L657 I658 R704 T708 Q714 F717	Q655-I706 HydrophobicContact CB-CD1 4.42Å; I656-I706 PolarHBondContact O-N 3.01Å; L657-I706 CarbonylContact C-O 3.51Å; L657-I706 VanDerWaalsContact CA-O 3.31Å; L657-I706 WeakPolarHBondContact CA-O 3.44Å; L657-I706 HydrophobicContact CB-CB 4.17Å; L657-I706 HydrophobicContact CB-CG2 4.44Å; L657-I706 HydrophobicContact CD1-CB 4.29Å; L657-I706 HydrophobicContact CD1-CD1 4.41Å; L657-I706 HydrophobicContact CD1-CG2 3.77Å; L657-I706 HydrophobicContact CG-CB 4.1Å; L657-I706 HydrophobicContact CG-CG2 3.81Å; I658-I706 PolarHBondContact N-O 3.05Å; R704-I706 HydrophobicContact CG-CG1 4.29Å; I706-T708 HydrophobicContact CG2-CG2 4.37Å; I706-Q714 HydrophobicContact CG2-CB 4Å; I706-F717 HydrophobicContact CD1-CD2 3.66Å; I706-F717 HydrophobicContact CD1-CE2 4.03Å; I706-F717 HydrophobicContact CD1-CG 4.15Å
707	D	96.4	Very high	92.6	Very high	57 Å²	57	56 Å²	56	31%	0.305	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.4	168.8	179	-13.1	0	0	0	107.4	H660 R668 Y705	H660-D707 IonicContact CE1-OD1 2.66Å; H660-D707 PolarHBondContact CE1-OD1 2.97Å; H660-D707 IonicContact ND1-OD1 3.1Å; H660-D707 PolarHBondContact ND1-OD1 2.82Å; R668-D707 IonicContact CZ-OD2 3.61Å; R668-D707 IonicContact NH1-OD1 3.19Å; R668-D707 PolarHBondContact NH1-OD1 2.94Å; R668-D707 IonicContact NH1-OD2 3.39Å; R668-D707 PolarHBondContact NH1-OD2 3.39Å; R668-D707 IonicContact NH2-OD2 2.92Å; R668-D707 PolarHBondContact NH2-OD2 2.67Å; Y705-D707 HydrophobicContact CE1-CB 4.25Å
708	T	97.1	Very high	92.8	Very high	9 Å²	9	50.4 Å²	50.4	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	173.5	-178.4	-170.4	0	0	0	0	110.7	L657 I658 Y659 H660 I706 A715	L657-T708 HydrophobicContact CD1-CG2 4.27Å; L657-T708 HydrophobicContact CD2-CG2 3.96Å; L657-T708 HydrophobicContact CG-CG2 4.14Å; I658-T708 PolarHBondContact O-N 2.88Å; Y659-T708 WeakPolarHBondContact CA-O 3.45Å; Y659-T708 HydrophobicContact CD2-CG2 4.25Å; H660-T708 PolarHBondContact N-O 2.92Å; H660-T708 PolarHBondContact ND1-O 3.47Å; I706-T708 HydrophobicContact CG2-CG2 4.37Å; T708-A715 HydrophobicContact CG2-CB 4.25Å; T708-A715 PolarHBondContact OG1-N 2.97Å
709	E	95.8	Very high	92.9	Very high	45 Å²	45	49.3 Å²	49.3	21%	0.21	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	172.9	-176.1	55.7	-178	-157.1	0	0	110.7	H660 A665 K669 G711 G712	H660-E709 HydrophobicContact CB-CB 4.07Å; H660-E709 CarbonylContact O-C 3.55Å; H660-E709 WeakPolarHBondContact O-CA 3.4Å; A665-E709 HydrophobicContact CB-CB 3.89Å; K669-E709 WeakPolarHBondContact CE-OE1 3.41Å; K669-E709 VanDerWaalsContact CE-OE2 3.25Å; K669-E709 WeakPolarHBondContact CE-OE2 3.48Å; K669-E709 IonicContact NZ-OE1 3.21Å; K669-E709 PolarHBondContact NZ-OE1 2.95Å; K669-E709 IonicContact NZ-OE2 3.62Å; E709-G711 PolarHBondContact O-N 2.92Å; E709-G712 PolarHBondContact O-N 3.37Å
710	H	92.9	Very high	92.5	Very high	90 Å²	90	52 Å²	52	42%	0.417	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	129.7	170.8	-178	-106.1	0	0	0	111.7	Y659 H660 E662 G712	Y659-H710 PolarHBondContact OH-CD2 2.81Å; H660-H710 PolarHBondContact O-N 2.82Å; E662-H710 HydrophobicContact CB-CB 4.06Å; H710-G712 PolarHBondContact O-N 3.42Å
711	G	88.8	Confident	92.3	Very high	76 Å²	76	53.4 Å²	53.4	78%	0.784	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-4.8	-175.1	0	0	0	0	0	115.5	E709	E709-G711 PolarHBondContact O-N 2.92Å
712	G	91.4	Very high	91.9	Very high	23 Å²	23	53.3 Å²	53.3	24%	0.237	29%	0.285	C	S	.	.			trans	-71.3	142.4	178.2	0	0	0	0	0	113.2	E709 H710 Q714 A715	E709-G712 PolarHBondContact O-N 3.37Å; H710-G712 PolarHBondContact O-N 3.42Å; G712-Q714 VanDerWaalsContact C-N 3.25Å; G712-Q714 PolarHBondContact O-N 3.32Å; G712-A715 VanDerWaalsContact O-CB 3.25Å; G712-A715 WeakPolarHBondContact O-CB 3.32Å; G712-A715 PolarHBondContact O-N 3.03Å; G712-A715 VanDerWaalsContact O-N 3.1Å
713	S	90.4	Very high	91.5	Very high	102 Å²	102	52.8 Å²	52.8	71%	0.713	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-63.1	-29.7	-178.5	64.2	0	0	0	0	113.6	A715 R716	S713-A715 VanDerWaalsContact C-N 3.34Å; S713-R716 WeakPolarHBondContact O-CD 3.19Å; S713-R716 VanDerWaalsContact O-CG 3.29Å; S713-R716 WeakPolarHBondContact O-CG 3.48Å
714	Q	91.4	Very high	90.8	Very high	72 Å²	72	52.8 Å²	52.8	34%	0.336	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-81.1	-11.3	178.7	-63.8	-170.1	-0.1	0	0	113.2	I706 G712 R716 F717	I706-Q714 HydrophobicContact CG2-CB 4Å; G712-Q714 VanDerWaalsContact C-N 3.25Å; G712-Q714 PolarHBondContact O-N 3.32Å; Q714-R716 PolarHBondContact O-N 3.13Å; Q714-R716 VanDerWaalsContact O-N 3.09Å; Q714-F717 HydrophobicContact CB-CD2 4.34Å; Q714-F717 VanDerWaalsContact O-CD2 3.29Å; Q714-F717 WeakPolarHBondContact O-CD2 3.41Å; Q714-F717 PolarHBondContact O-N 3.39Å; Q714-F717 VanDerWaalsContact O-N 3.12Å
715	A	91.8	Very high	90	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-61.5	-19.2	173.5	0	0	0	0	0	112.8	Y659 T708 G712 S713 F717 L718 L719	Y659-A715 HydrophobicContact CD2-CB 4.21Å; Y659-A715 HydrophobicContact CE2-CB 4.17Å; T708-A715 HydrophobicContact CG2-CB 4.25Å; T708-A715 PolarHBondContact OG1-N 2.97Å; G712-A715 VanDerWaalsContact O-CB 3.25Å; G712-A715 WeakPolarHBondContact O-CB 3.32Å; G712-A715 PolarHBondContact O-N 3.03Å; G712-A715 VanDerWaalsContact O-N 3.1Å; S713-A715 VanDerWaalsContact C-N 3.34Å; A715-F717 PolarHBondContact O-N 2.86Å; A715-F717 VanDerWaalsContact O-N 3.13Å; A715-L718 WeakPolarHBondContact O-CB 3.49Å; A715-L718 PolarHBondContact O-N 3.37Å; A715-L719 PolarHBondContact O-N 2.93Å; A715-L719 VanDerWaalsContact O-N 3.08Å
716	R	90.3	Very high	88.7	Confident	171 Å²	171	47.2 Å²	47.2	65%	0.645	27%	0.268	S	S	*	.	H	α-helix	trans	-54.9	-29	172.8	72.7	-173.7	-179.3	174.3	-1	113.8	S713 Q714 L718 L719 S720	S713-R716 WeakPolarHBondContact O-CD 3.19Å; S713-R716 VanDerWaalsContact O-CG 3.29Å; S713-R716 WeakPolarHBondContact O-CG 3.48Å; Q714-R716 PolarHBondContact O-N 3.13Å; Q714-R716 VanDerWaalsContact O-N 3.09Å; R716-L718 VanDerWaalsContact C-N 3.34Å; R716-L719 PolarHBondContact O-N 3.05Å; R716-S720 WeakPolarHBondContact O-CB 3.21Å; R716-S720 PolarHBondContact O-N 2.86Å; R716-S720 PolarHBondContact O-OG 3.09Å
717	F	90.7	Very high	87.3	Confident	47 Å²	47	47.8 Å²	47.8	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-37.2	177.2	-70.2	-66.2	0	0	0	111.5	L657 I706 Q714 A715 S720 K721	L657-F717 HydrophobicContact CD1-CB 3.65Å; I706-F717 HydrophobicContact CD1-CD2 3.66Å; I706-F717 HydrophobicContact CD1-CE2 4.03Å; I706-F717 HydrophobicContact CD1-CG 4.15Å; Q714-F717 HydrophobicContact CB-CD2 4.34Å; Q714-F717 VanDerWaalsContact O-CD2 3.29Å; Q714-F717 WeakPolarHBondContact O-CD2 3.41Å; Q714-F717 PolarHBondContact O-N 3.39Å; Q714-F717 VanDerWaalsContact O-N 3.12Å; A715-F717 PolarHBondContact O-N 2.86Å; A715-F717 VanDerWaalsContact O-N 3.13Å; F717-S720 PolarHBondContact O-OG 3.17Å; F717-K721 WeakPolarHBondContact O-CG 3.4Å
718	L	92.1	Very high	85.8	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-53.9	170.8	175.8	62	0	0	0	110.6	L623 I642 L648 M650 L657 Y659 A715 R716 S720 K721 V722	L623-L718 HydrophobicContact CD1-CD1 3.99Å; I642-L718 HydrophobicContact CD1-CD2 4.18Å; I642-L718 HydrophobicContact CD1-CG 4.4Å; I642-L718 HydrophobicContact CG1-CD2 4.45Å; L648-L718 HydrophobicContact CD1-CD2 4.1Å; M650-L718 HydrophobicContact CB-CD1 4.27Å; M650-L718 HydrophobicContact CE-CB 4.23Å; M650-L718 HydrophobicContact CE-CD1 4.21Å; M650-L718 HydrophobicContact CG-CD1 4.4Å; M650-L718 HydrophobicContact SD-CD1 3.58Å; M650-L718 VanDerWaalsContact SD-CD1 3.58Å; L657-L718 HydrophobicContact CD1-CB 4.36Å; L657-L718 HydrophobicContact CD2-CB 4.08Å; Y659-L718 HydrophobicContact CD1-CD2 4.18Å; Y659-L718 HydrophobicContact CD2-CD2 4.04Å; Y659-L718 HydrophobicContact CG-CD2 3.75Å; A715-L718 WeakPolarHBondContact O-CB 3.49Å; A715-L718 PolarHBondContact O-N 3.37Å; R716-L718 VanDerWaalsContact C-N 3.34Å; L718-S720 PolarHBondContact O-N 3.34Å; L718-S720 VanDerWaalsContact O-N 3.17Å; L718-K721 PolarHBondContact O-N 2.85Å; L718-V722 HydrophobicContact CD1-CG1 3.96Å; L718-V722 WeakPolarHBondContact O-CG2 3.22Å; L718-V722 PolarHBondContact O-N 3.44Å
719	L	88.8	Confident	84.1	Confident	70 Å²	70	53.6 Å²	53.6	37%	0.366	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-31.7	-173.9	-62.6	176.9	0	0	0	113.8	I642 A715 R716 K721 V722	I642-L719 HydrophobicContact CD1-CD2 3.69Å; A715-L719 PolarHBondContact O-N 2.93Å; A715-L719 VanDerWaalsContact O-N 3.08Å; R716-L719 PolarHBondContact O-N 3.05Å; L719-K721 VanDerWaalsContact C-N 3.29Å; L719-K721 PolarHBondContact O-N 2.81Å; L719-V722 WeakPolarHBondContact O-CG2 3.44Å
720	S	86.5	Confident	82.6	Confident	73 Å²	73	56.2 Å²	56.2	51%	0.51	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.3	176.5	66.4	0	0	0	0	114.2	R716 F717 L718	R716-S720 WeakPolarHBondContact O-CB 3.21Å; R716-S720 PolarHBondContact O-N 2.86Å; R716-S720 PolarHBondContact O-OG 3.09Å; F717-S720 PolarHBondContact O-OG 3.17Å; L718-S720 PolarHBondContact O-N 3.34Å; L718-S720 VanDerWaalsContact O-N 3.17Å
721	K	88.2	Confident	80.7	Confident	67 Å²	67	56.6 Å²	56.6	29%	0.291	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-27.9	-176.7	-63.7	-63	179.3	-176.1	0	113.3	L637 M650 F717 L718 L719	L637-K721 WeakPolarHBondContact CD2-O 3.43Å; M650-K721 HydrophobicContact SD-CB 3.99Å; M650-K721 HydrophobicContact SD-CG 4.34Å; F717-K721 WeakPolarHBondContact O-CG 3.4Å; L718-K721 PolarHBondContact O-N 2.85Å; L719-K721 VanDerWaalsContact C-N 3.29Å; L719-K721 PolarHBondContact O-N 2.81Å
722	V	87.3	Confident	79	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.006	32%	0.319	C	S	.	.	S	Bend	trans	-72.7	148.4	177.9	-74.3	0	0	0	0	112.8	L637 I642 L718 L719 I742	L637-V722 HydrophobicContact CD1-CG1 4.09Å; L637-V722 HydrophobicContact CG-CG1 4.27Å; I642-V722 HydrophobicContact CD1-CG2 4.21Å; L718-V722 HydrophobicContact CD1-CG1 3.96Å; L718-V722 WeakPolarHBondContact O-CG2 3.22Å; L718-V722 PolarHBondContact O-N 3.44Å; L719-V722 WeakPolarHBondContact O-CG2 3.44Å; V722-I742 HydrophobicContact CB-CD1 4.18Å; V722-I742 HydrophobicContact CG2-CD1 3.36Å; V722-I742 HydrophobicContact CG2-CG1 4.45Å
723	N	84.6	Confident	76.9	Confident	9 Å²	9	64.4 Å²	64.4	5%	0.048	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-67.6	129.7	174.8	176.7	48.6	0	0	0	110.9	F582 L637 D638 S639 S725 S748 L749	F582-N723 WeakPolarHBondContact CZ-OD1 3.08Å; L637-N723 WeakPolarHBondContact O-CB 3.48Å; L637-N723 PolarHBondContact O-N 2.76Å; D638-N723 HydrophobicContact CB-CB 4.39Å; D638-N723 WeakPolarHBondContact OD2-CB 3.49Å; D638-N723 PolarHBondContact OD2-ND2 2.87Å; S639-N723 PolarHBondContact N-O 3.35Å; S639-N723 VanDerWaalsContact N-O 3.12Å; S639-N723 PolarHBondContact OG-O 3.33Å; N723-S725 VanDerWaalsContact C-N 3.26Å; N723-S725 PolarHBondContact O-N 3.02Å; N723-S748 WeakPolarHBondContact OD1-CA 3.38Å; N723-L749 PolarHBondContact OD1-N 3.21Å
724	P	81.4	Confident	74.2	Confident	4 Å²	4	72.4 Å²	72.4	3%	0.026	35%	0.346	C	S	.	.			trans	-79.1	69	177.3	34.8	-37.7	0	0	0	111.9	Q726 T727 I742 T744 D746 S748	P724-Q726 VanDerWaalsContact C-N 3.32Å; P724-T727 HydrophobicContact CB-CG2 3.72Å; P724-I742 HydrophobicContact CB-CB 4.13Å; P724-I742 HydrophobicContact CB-CD1 4.35Å; P724-I742 HydrophobicContact CB-CG2 4.3Å; P724-T744 HydrophobicContact CB-CG2 3.43Å; P724-T744 VanDerWaalsContact CB-CG2 3.43Å; P724-T744 HydrophobicContact CG-CG2 3.67Å; P724-D746 HydrophobicContact CG-CB 4.27Å; P724-S748 VanDerWaalsContact O-CB 3.31Å; P724-S748 WeakPolarHBondContact O-CB 3.46Å
725	S	74.9	Confident	72	Confident	39 Å²	39	72.7 Å²	72.7	27%	0.273	37%	0.368	S	S	.	.	S	Bend	trans	-70.5	-32.4	172.5	63.1	0	0	0	0	112	D638 S639 N723	D638-S725 VanDerWaalsContact CG-OG 3.29Å; D638-S725 WeakPolarHBondContact OD1-CB 3.4Å; D638-S725 PolarHBondContact OD1-OG 2.55Å; D638-S725 VanDerWaalsContact OD2-CB 3.27Å; D638-S725 WeakPolarHBondContact OD2-CB 3.41Å; D638-S725 PolarHBondContact OD2-OG 3Å; S639-S725 PolarHBondContact OG-N 3.03Å; S639-S725 PolarHBondContact OG-OG 3.12Å; N723-S725 VanDerWaalsContact C-N 3.26Å; N723-S725 PolarHBondContact O-N 3.02Å
726	Q	66	Low	69.7	Low	26 Å²	26	78.8 Å²	78.8	12%	0.121	40%	0.396	C	S	.	.	S	Bend	trans	-114.5	117.9	173.2	-62.7	-175.5	0.8	0	0	109	S639 P724 E737 G739 P741 I742	S639-Q726 PolarHBondContact OG-N 3.16Å; P724-Q726 VanDerWaalsContact C-N 3.32Å; Q726-E737 PolarHBondContact NE2-O 3.31Å; Q726-G739 VanDerWaalsContact OE1-C 3.25Å; Q726-G739 VanDerWaalsContact OE1-CA 3.22Å; Q726-G739 PolarHBondContact OE1-O 3.1Å; Q726-P741 WeakPolarHBondContact O-CA 3.47Å; Q726-I742 PolarHBondContact O-N 3.46Å
727	T	67.5	Low	67.6	Low	15 Å²	15	79 Å²	79	9%	0.092	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-124.2	166.1	177.2	63.6	0	0	0	0	110.8	P724 N729 N730 M731 I742	P724-T727 HydrophobicContact CB-CG2 3.72Å; T727-N729 PolarHBondContact O-N 3.11Å; T727-N729 VanDerWaalsContact O-N 3.08Å; T727-N730 PolarHBondContact O-N 3.47Å; T727-M731 PolarHBondContact O-N 2.99Å; T727-M731 VanDerWaalsContact O-N 3.1Å; T727-I742 WeakPolarHBondContact CA-O 3.39Å
728	H	63.6	Low	65.9	Low	79 Å²	79	82 Å²	82	37%	0.366	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-26	173.2	64	-75.6	0	0	0	113.9	L743	H728-L743 HydrophobicContact CB-CD2 3.79Å
729	N	61.8	Low	64.3	Low	108 Å²	108	82.8 Å²	82.8	58%	0.578	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-26.7	179.4	-70.7	-31.5	0	0	0	113.6	T727	T727-N729 PolarHBondContact O-N 3.11Å; T727-N729 VanDerWaalsContact O-N 3.08Å
730	N	65	Low	62.9	Low	100 Å²	100	80.9 Å²	80.9	54%	0.535	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	7.7	-176	-70.8	-8.2	0	0	0	113.6	T727 Y732 A733	T727-N730 PolarHBondContact O-N 3.47Å; N730-Y732 PolarHBondContact O-N 3.29Å; N730-A733 WeakPolarHBondContact O-CB 3.46Å; N730-A733 PolarHBondContact O-N 3.34Å; N730-A733 VanDerWaalsContact O-N 3.11Å
731	M	51.8	Low	62	Low	99 Å²	99	80.3 Å²	80.3	49%	0.488	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18	-175.2	-161	174.6	77	0	0	114.6	T727 P741	T727-M731 PolarHBondContact O-N 2.99Å; T727-M731 VanDerWaalsContact O-N 3.1Å; M731-P741 HydrophobicContact SD-CB 4.27Å; M731-P741 HydrophobicContact SD-CG 3.95Å
732	Y	52.9	Low	61.2	Low	202 Å²	202	77.8 Å²	77.8	79%	0.792	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	14	-179.2	-63.2	-76.8	0	0	0	114.1	N730 W734	N730-Y732 PolarHBondContact O-N 3.29Å; Y732-W734 PolarHBondContact O-N 3.48Å
733	A	48.2	Very low	60.6	Low	61 Å²	61	84.7 Å²	84.7	50%	0.504	45%	0.454	S	S	.	.			trans	-69.9	123.2	172.7	0	0	0	0	0	110.1	N730 G735	N730-A733 WeakPolarHBondContact O-CB 3.46Å; N730-A733 PolarHBondContact O-N 3.34Å; N730-A733 VanDerWaalsContact O-N 3.11Å; A733-G735 PolarHBondContact O-N 3.42Å
734	W	33	Very low	59.9	Low	269 Å²	269	85.8 Å²	85.8	100%	1.019	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	120.9	-175.1	-108.7	79.3	0	0	0	112.4	Y732	Y732-W734 PolarHBondContact O-N 3.48Å
735	G	45.5	Very low	59.3	Low	78 Å²	78	92.4 Å²	92.4	80%	0.804	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.7	14.8	163.8	0	0	0	0	0	118.8	A733	A733-G735 PolarHBondContact O-N 3.42Å
736	Q	43.1	Very low	59.3	Low	135 Å²	135	94.8 Å²	94.8	63%	0.631	51%	0.506	S	S	*	.			trans	-102.6	144.7	178.1	-79.5	-171	-21.2	0	0	114.6
737	E	46.5	Very low	60	Low	175 Å²	175	97 Å²	97	82%	0.818	52%	0.521	S	S	*	.			trans	-63.1	152.9	178	-71.5	-179.6	156.3	0	0	113.6	Q726 G739	Q726-E737 PolarHBondContact NE2-O 3.31Å; E737-G739 PolarHBondContact O-N 3.41Å
738	S	55	Low	61	Low	112 Å²	112	97.2 Å²	97.2	78%	0.783	52%	0.523	S	S	*	.			trans	-62.9	77.6	-177.2	162	0	0	0	0	113.9
739	G	57.7	Low	62.2	Low	17 Å²	17	95.2 Å²	95.2	18%	0.175	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-103.4	165.9	169.7	0	0	0	0	0	112.9	Q726 E737 P741	Q726-G739 VanDerWaalsContact OE1-C 3.25Å; Q726-G739 VanDerWaalsContact OE1-CA 3.22Å; Q726-G739 PolarHBondContact OE1-O 3.1Å; E737-G739 PolarHBondContact O-N 3.41Å; G739-P741 WeakPolarHBondContact O-CD 3.38Å
740	A	60.8	Low	63.5	Low	30 Å²	30	95.4 Å²	95.4	25%	0.248	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-81.5	119.1	177.3	0	0	0	0	0	111.2	S639 I642 I742	S639-A740 VanDerWaalsContact CB-O 3.32Å; S639-A740 WeakPolarHBondContact CB-O 3.49Å; I642-A740 HydrophobicContact CB-CB 4.21Å; I642-A740 HydrophobicContact CG2-CB 4.05Å; A740-I742 PolarHBondContact O-N 3.15Å
741	P	67.8	Low	64.8	Low	61 Å²	61	94.5 Å²	94.5	40%	0.396	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-70.3	132.4	-178.8	27.5	-33.5	0	0	0	111.6	Q726 M731 G739	Q726-P741 WeakPolarHBondContact O-CA 3.47Å; M731-P741 HydrophobicContact SD-CB 4.27Å; M731-P741 HydrophobicContact SD-CG 3.95Å; G739-P741 WeakPolarHBondContact O-CD 3.38Å
742	I	71.5	Confident	66.7	Low	13 Å²	13	90.9 Å²	90.9	7%	0.067	49%	0.492	C	S	.	.	B	Isolated β-bridge	trans	-91.6	129.9	177.3	-59.3	175.5	0	0	0	109.7	V722 P724 Q726 T727 A740 T744	V722-I742 HydrophobicContact CB-CD1 4.18Å; V722-I742 HydrophobicContact CG2-CD1 3.36Å; V722-I742 HydrophobicContact CG2-CG1 4.45Å; P724-I742 HydrophobicContact CB-CB 4.13Å; P724-I742 HydrophobicContact CB-CD1 4.35Å; P724-I742 HydrophobicContact CB-CG2 4.3Å; Q726-I742 PolarHBondContact O-N 3.46Å; T727-I742 WeakPolarHBondContact CA-O 3.39Å; A740-I742 PolarHBondContact O-N 3.15Å; I742-T744 HydrophobicContact CG2-CG2 3.75Å; I742-T744 PolarHBondContact O-N 3.43Å
743	L	72.9	Confident	68.7	Low	146 Å²	146	83.1 Å²	83.1	76%	0.764	46%	0.463	S	S	*	.			trans	-84.8	85.8	174.4	-62.6	173.8	0	0	0	109.8	H728	H728-L743 HydrophobicContact CB-CD2 3.79Å
744	T	70.2	Confident	70.8	Confident	32 Å²	32	83.1 Å²	83.1	20%	0.196	46%	0.455	C	S	.	.			trans	-151.1	155.4	174.5	-172.5	0	0	0	0	111.2	P724 I742 D746	P724-T744 HydrophobicContact CB-CG2 3.43Å; P724-T744 VanDerWaalsContact CB-CG2 3.43Å; P724-T744 HydrophobicContact CG-CG2 3.67Å; I742-T744 HydrophobicContact CG2-CG2 3.75Å; I742-T744 PolarHBondContact O-N 3.43Å; T744-D746 HydrophobicContact CG2-CB 3.94Å; T744-D746 WeakPolarHBondContact OG1-CB 3.47Å; T744-D746 PolarHBondContact OG1-N 3.5Å; T744-D746 PolarHBondContact OG1-OD2 2.65Å; T744-D746 VanDerWaalsContact OG1-OD2 3.12Å
745	D	69.8	Low	73.7	Confident	144 Å²	144	75.7 Å²	75.7	77%	0.77	43%	0.431	S	S	*	.			trans	-94.2	2.7	168.3	-63.5	-38.5	0	0	0	112.1
746	D	74.7	Confident	76.1	Confident	88 Å²	88	72.5 Å²	72.5	47%	0.471	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-61.1	143.4	176.9	-76.6	-39.1	0	0	0	112.1	R586 P724 T744 S748	R586-D746 IonicContact NH2-OD2 3.62Å; P724-D746 HydrophobicContact CG-CB 4.27Å; T744-D746 HydrophobicContact CG2-CB 3.94Å; T744-D746 WeakPolarHBondContact OG1-CB 3.47Å; T744-D746 PolarHBondContact OG1-N 3.5Å; T744-D746 PolarHBondContact OG1-OD2 2.65Å; T744-D746 VanDerWaalsContact OG1-OD2 3.12Å; D746-S748 PolarHBondContact O-N 2.82Å
747	V	81.3	Confident	78.5	Confident	73 Å²	73	68.7 Å²	68.7	44%	0.442	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-69.5	131.1	177.6	-174.8	0	0	0	0	110.1	F582 V751 F752	F582-V747 WeakPolarHBondContact CE2-O 3.47Å; V747-V751 HydrophobicContact CG1-CB 3.66Å; V747-V751 HydrophobicContact CG1-CG1 3.56Å; V747-F752 HydrophobicContact CG1-CB 4.42Å
748	S	88	Confident	80.8	Confident	19 Å²	19	66.3 Å²	66.3	13%	0.133	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-72.3	156.4	174.6	75.5	0	0	0	0	111.9	N723 P724 D746 Q750 V751 F752	N723-S748 WeakPolarHBondContact OD1-CA 3.38Å; P724-S748 VanDerWaalsContact O-CB 3.31Å; P724-S748 WeakPolarHBondContact O-CB 3.46Å; D746-S748 PolarHBondContact O-N 2.82Å; S748-Q750 PolarHBondContact O-N 3.18Å; S748-V751 PolarHBondContact O-N 3.36Å; S748-V751 VanDerWaalsContact O-N 3.17Å; S748-V751 WeakPolarHBondContact OG-CG2 3.21Å; S748-V751 PolarHBondContact OG-N 3.48Å; S748-F752 PolarHBondContact O-N 2.77Å
749	L	89.7	Confident	82.7	Confident	37 Å²	37	63.9 Å²	63.9	19%	0.194	34%	0.342	C	S	.	.	H	α-helix	trans	-54.2	-39.4	176.3	178.1	61.3	0	0	0	111.7	Q579 F582 N723 F752 M753	Q579-L749 HydrophobicContact CG-CD2 4.19Å; F582-L749 HydrophobicContact CB-CD1 3.78Å; F582-L749 HydrophobicContact CD1-CB 4.23Å; F582-L749 HydrophobicContact CD1-CD1 3.76Å; F582-L749 HydrophobicContact CD2-CD1 4.15Å; F582-L749 HydrophobicContact CE1-CB 3.95Å; F582-L749 HydrophobicContact CE1-CD1 4.36Å; F582-L749 HydrophobicContact CE2-CB 4.41Å; F582-L749 HydrophobicContact CG-CD1 3.62Å; F582-L749 HydrophobicContact CZ-CB 4.03Å; N723-L749 PolarHBondContact OD1-N 3.21Å; L749-F752 HydrophobicContact CD1-CD1 4.3Å; L749-F752 WeakPolarHBondContact O-CB 3.48Å; L749-F752 PolarHBondContact O-N 3.41Å; L749-M753 HydrophobicContact CD1-CG 4.07Å; L749-M753 HydrophobicContact CG-CG 4.37Å; L749-M753 WeakPolarHBondContact O-CB 3.19Å; L749-M753 VanDerWaalsContact O-CG 3.25Å; L749-M753 WeakPolarHBondContact O-CG 3.48Å; L749-M753 PolarHBondContact O-N 3.04Å
750	Q	88.9	Confident	84.4	Confident	112 Å²	112	63 Å²	63	52%	0.523	33%	0.333	S	S	.	.	H	α-helix	trans	-62	-49.3	178.5	-177.3	57.6	37.4	0	0	111.7	S748 F752 M753 D754	S748-Q750 PolarHBondContact O-N 3.18Å; Q750-F752 VanDerWaalsContact C-N 3.3Å; Q750-F752 PolarHBondContact O-N 3.43Å; Q750-M753 PolarHBondContact O-N 3.2Å; Q750-D754 VanDerWaalsContact NE2-CG 3.32Å; Q750-D754 PolarHBondContact NE2-OD1 2.99Å; Q750-D754 PolarHBondContact NE2-OD2 3.39Å; Q750-D754 VanDerWaalsContact O-CG 3.31Å; Q750-D754 PolarHBondContact O-N 3.39Å
751	V	90.8	Very high	85.9	Confident	82 Å²	82	61.7 Å²	61.7	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-38.2	178.9	176	0	0	0	0	111.1	V747 S748 D754 H755	V747-V751 HydrophobicContact CG1-CB 3.66Å; V747-V751 HydrophobicContact CG1-CG1 3.56Å; S748-V751 PolarHBondContact O-N 3.36Å; S748-V751 VanDerWaalsContact O-N 3.17Å; S748-V751 WeakPolarHBondContact OG-CG2 3.21Å; S748-V751 PolarHBondContact OG-N 3.48Å; V751-D754 PolarHBondContact O-N 3.17Å; V751-H755 WeakPolarHBondContact O-CB 3.3Å; V751-H755 PolarHBondContact O-N 2.85Å
752	F	93.4	Very high	86.9	Confident	23 Å²	23	61 Å²	61	10%	0.101	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-47.9	173	172.1	-96.9	0	0	0	111.7	L550 F582 V747 S748 L749 Q750 H755 L756	L550-F752 HydrophobicContact CD2-CE1 4.14Å; L550-F752 HydrophobicContact CD2-CZ 3.59Å; F582-F752 HydrophobicContact CB-CD1 3.9Å; F582-F752 HydrophobicContact CB-CE1 3.83Å; F582-F752 HydrophobicContact CB-CG 4.45Å; F582-F752 HydrophobicContact CB-CZ 4.33Å; F582-F752 HydrophobicContact CD2-CB 3.78Å; F582-F752 AromaticContact CD2-CD1 3.92Å; F582-F752 HydrophobicContact CD2-CD1 3.92Å; F582-F752 HydrophobicContact CD2-CD2 4.16Å; F582-F752 AromaticContact CD2-CG 3.68Å; F582-F752 HydrophobicContact CD2-CG 3.68Å; F582-F752 HydrophobicContact CE2-CB 4.08Å; F582-F752 HydrophobicContact CE2-CG 4.45Å; F582-F752 HydrophobicContact CG-CD1 4.3Å; F582-F752 HydrophobicContact CG-CG 4.5Å; V747-F752 HydrophobicContact CG1-CB 4.42Å; S748-F752 PolarHBondContact O-N 2.77Å; L749-F752 HydrophobicContact CD1-CD1 4.3Å; L749-F752 WeakPolarHBondContact O-CB 3.48Å; L749-F752 PolarHBondContact O-N 3.41Å; Q750-F752 VanDerWaalsContact C-N 3.3Å; Q750-F752 PolarHBondContact O-N 3.43Å; F752-H755 PolarHBondContact O-N 2.94Å; F752-L756 HydrophobicContact CE1-CD2 4.42Å; F752-L756 WeakPolarHBondContact O-CB 3.19Å; F752-L756 PolarHBondContact O-N 3.35Å
753	M	93.9	Very high	86.5	Confident	39 Å²	39	63.7 Å²	63.7	19%	0.192	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-40.6	178.9	-72.1	-59.8	-70.8	0	0	112.1	P578 L749 Q750 H755 L756 K757	P578-M753 HydrophobicContact CB-CE 4.01Å; P578-M753 HydrophobicContact CB-SD 3.57Å; P578-M753 VanDerWaalsContact CB-SD 3.57Å; P578-M753 HydrophobicContact CG-CE 4.34Å; P578-M753 HydrophobicContact CG-SD 4.49Å; L749-M753 HydrophobicContact CD1-CG 4.07Å; L749-M753 HydrophobicContact CG-CG 4.37Å; L749-M753 WeakPolarHBondContact O-CB 3.19Å; L749-M753 VanDerWaalsContact O-CG 3.25Å; L749-M753 WeakPolarHBondContact O-CG 3.48Å; L749-M753 PolarHBondContact O-N 3.04Å; Q750-M753 PolarHBondContact O-N 3.2Å; M753-H755 VanDerWaalsContact C-N 3.33Å; M753-H755 PolarHBondContact O-N 3.46Å; M753-L756 PolarHBondContact O-N 3.39Å; M753-L756 HydrophobicContact SD-CD2 4.19Å; M753-K757 WeakPolarHBondContact O-CB 3.18Å; M753-K757 VanDerWaalsContact O-CG 3.25Å; M753-K757 WeakPolarHBondContact O-CG 3.4Å; M753-K757 PolarHBondContact O-N 3.34Å
754	D	93.4	Very high	85.8	Confident	61 Å²	61	60.6 Å²	60.6	33%	0.326	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-38.6	177.8	-69.9	-27.4	0	0	0	111.8	Q750 V751 K758	Q750-D754 VanDerWaalsContact NE2-CG 3.32Å; Q750-D754 PolarHBondContact NE2-OD1 2.99Å; Q750-D754 PolarHBondContact NE2-OD2 3.39Å; Q750-D754 VanDerWaalsContact O-CG 3.31Å; Q750-D754 PolarHBondContact O-N 3.39Å; V751-D754 PolarHBondContact O-N 3.17Å; D754-K758 VanDerWaalsContact O-CG 3.27Å; D754-K758 WeakPolarHBondContact O-CG 3.43Å; D754-K758 PolarHBondContact O-N 2.8Å; D754-K758 VanDerWaalsContact O-N 3.16Å
755	H	94.1	Very high	84.2	Confident	113 Å²	113	67.4 Å²	67.4	52%	0.523	39%	0.393	S	S	.	.	H	α-helix	trans	-68.3	-42.4	173.9	-169.9	-125.9	0	0	0	112	V751 F752 M753 K757 K758 L759	V751-H755 WeakPolarHBondContact O-CB 3.3Å; V751-H755 PolarHBondContact O-N 2.85Å; F752-H755 PolarHBondContact O-N 2.94Å; M753-H755 VanDerWaalsContact C-N 3.33Å; M753-H755 PolarHBondContact O-N 3.46Å; H755-K757 PolarHBondContact O-N 2.96Å; H755-K758 PolarHBondContact O-N 2.69Å; H755-L759 WeakPolarHBondContact O-CG 3.46Å; H755-L759 PolarHBondContact O-N 3.05Å; H755-L759 VanDerWaalsContact O-N 3.1Å
756	L	94.5	Very high	84.9	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.052	37%	0.374	C	S	.	.	H	α-helix	trans	-59.3	-46.9	175.9	177	61.4	0	0	0	111.7	L550 I551 P578 F752 M753 K758 L759 A760	L550-L756 HydrophobicContact CD1-CD2 4.33Å; L550-L756 HydrophobicContact CD2-CD1 4.08Å; L550-L756 HydrophobicContact CD2-CD2 3.82Å; L550-L756 HydrophobicContact CG-CD1 3.89Å; L550-L756 HydrophobicContact CG-CD2 4.02Å; I551-L756 HydrophobicContact CG1-CD1 3.82Å; P578-L756 HydrophobicContact CB-CD2 3.88Å; P578-L756 HydrophobicContact CG-CD2 4.24Å; F752-L756 HydrophobicContact CE1-CD2 4.42Å; F752-L756 WeakPolarHBondContact O-CB 3.19Å; F752-L756 PolarHBondContact O-N 3.35Å; M753-L756 PolarHBondContact O-N 3.39Å; M753-L756 HydrophobicContact SD-CD2 4.19Å; L756-K758 PolarHBondContact O-N 3.13Å; L756-L759 PolarHBondContact O-N 3.24Å; L756-A760 VanDerWaalsContact O-CB 3.3Å; L756-A760 WeakPolarHBondContact O-CB 2.99Å; L756-A760 PolarHBondContact O-N 3.28Å
757	K	94.6	Very high	85.5	Confident	56 Å²	56	62.3 Å²	62.3	24%	0.243	37%	0.369	C	S	.	.	H	α-helix	trans	-58.7	-46.1	177.2	-71.9	173.9	-175.7	177.6	0	111.3	P565 F568 M753 H755 L759 A760 V761	P565-K757 HydrophobicContact CB-CB 4.21Å; F568-K757 HydrophobicContact CB-CB 4.29Å; F568-K757 HydrophobicContact CB-CD 4.38Å; F568-K757 HydrophobicContact CB-CG 3.96Å; F568-K757 HydrophobicContact CD1-CD 4.48Å; F568-K757 HydrophobicContact CD1-CG 3.79Å; F568-K757 HydrophobicContact CG-CG 4Å; M753-K757 WeakPolarHBondContact O-CB 3.18Å; M753-K757 VanDerWaalsContact O-CG 3.25Å; M753-K757 WeakPolarHBondContact O-CG 3.4Å; M753-K757 PolarHBondContact O-N 3.34Å; H755-K757 PolarHBondContact O-N 2.96Å; K757-L759 VanDerWaalsContact C-N 3.33Å; K757-L759 PolarHBondContact O-N 3.23Å; K757-A760 PolarHBondContact O-N 3.16Å; K757-V761 WeakPolarHBondContact O-CG1 3.45Å; K757-V761 WeakPolarHBondContact O-CG2 3.36Å; K757-V761 PolarHBondContact O-N 2.77Å; K757-V761 VanDerWaalsContact O-N 3.09Å
758	K	94.7	Very high	85.7	Confident	125 Å²	125	61.7 Å²	61.7	54%	0.543	37%	0.365	S	S	.	.	H	α-helix	trans	-56.4	-45.3	177	-74.2	170	-174.7	178.3	0	112.3	P565 D754 H755 L756 S762	P565-K758 HydrophobicContact CB-CG 4.02Å; P565-K758 HydrophobicContact CG-CB 4.39Å; P565-K758 HydrophobicContact CG-CG 3.72Å; D754-K758 VanDerWaalsContact O-CG 3.27Å; D754-K758 WeakPolarHBondContact O-CG 3.43Å; D754-K758 PolarHBondContact O-N 2.8Å; D754-K758 VanDerWaalsContact O-N 3.16Å; H755-K758 PolarHBondContact O-N 2.69Å; L756-K758 PolarHBondContact O-N 3.13Å; K758-S762 WeakPolarHBondContact O-CB 3.33Å; K758-S762 PolarHBondContact O-N 3.04Å
759	L	94.3	Very high	85.6	Confident	60 Å²	60	64.2 Å²	64.2	31%	0.314	38%	0.379	S	S	.	.	H	α-helix	trans	-73	-36.5	179.5	-65	178.3	0	0	0	112.4	I551 Q555 H755 L756 K757 V761 S762	I551-L759 HydrophobicContact CD1-CB 4.19Å; I551-L759 HydrophobicContact CD1-CD1 3.68Å; I551-L759 HydrophobicContact CG1-CB 4.32Å; I551-L759 HydrophobicContact CG1-CD1 4.48Å; I551-L759 HydrophobicContact CG2-CB 4.41Å; Q555-L759 PolarHBondContact NE2-O 3.19Å; H755-L759 WeakPolarHBondContact O-CG 3.46Å; H755-L759 PolarHBondContact O-N 3.05Å; H755-L759 VanDerWaalsContact O-N 3.1Å; L756-L759 PolarHBondContact O-N 3.24Å; K757-L759 VanDerWaalsContact C-N 3.33Å; K757-L759 PolarHBondContact O-N 3.23Å; L759-V761 PolarHBondContact O-N 3.18Å; L759-S762 PolarHBondContact O-N 3.22Å; L759-S762 PolarHBondContact O-OG 2.72Å
760	A	92.6	Very high	85.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-64.6	-38	179.5	0	0	0	0	0	112.6	C554 Q555 Y560 F568 L756 K757	C554-A760 HydrophobicContact CB-CB 3.76Å; Q555-A760 WeakPolarHBondContact CG-O 3.47Å; Y560-A760 PolarHBondContact OH-O 2.73Å; F568-A760 HydrophobicContact CD2-CB 4.05Å; F568-A760 HydrophobicContact CE2-CB 3.81Å; L756-A760 VanDerWaalsContact O-CB 3.3Å; L756-A760 WeakPolarHBondContact O-CB 2.99Å; L756-A760 PolarHBondContact O-N 3.28Å; K757-A760 PolarHBondContact O-N 3.16Å
761	V	92.8	Very high	85.1	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	38%	0.382	C	S	.	.	H	α-helix	trans	-85.9	-12.4	-179.9	-53.1	0	0	0	0	114.2	Y560 D563 P565 F568 K757 L759	Y560-V761 HydrophobicContact CD2-CB 3.86Å; Y560-V761 HydrophobicContact CD2-CG1 3.68Å; Y560-V761 HydrophobicContact CE2-CB 4.38Å; Y560-V761 HydrophobicContact CE2-CG1 4.49Å; Y560-V761 HydrophobicContact CG-CB 4.38Å; Y560-V761 HydrophobicContact CG-CG1 3.69Å; D563-V761 PolarHBondContact N-O 3.17Å; P565-V761 HydrophobicContact CB-CG2 4.33Å; P565-V761 HydrophobicContact CG-CG2 3.91Å; F568-V761 HydrophobicContact CB-CG1 4.24Å; F568-V761 HydrophobicContact CD2-CG1 4.29Å; K757-V761 WeakPolarHBondContact O-CG1 3.45Å; K757-V761 WeakPolarHBondContact O-CG2 3.36Å; K757-V761 PolarHBondContact O-N 2.77Å; K757-V761 VanDerWaalsContact O-N 3.09Å; L759-V761 PolarHBondContact O-N 3.18Å
762	S	89.8	Confident	84.7	Confident	46 Å²	46	61.4 Å²	61.4	32%	0.322	37%	0.373	S	S	.	.	S	Bend	trans	-73	153.4	177.9	74.1	0	0	0	0	111.4	K758 L759 A764	K758-S762 WeakPolarHBondContact O-CB 3.33Å; K758-S762 PolarHBondContact O-N 3.04Å; L759-S762 PolarHBondContact O-N 3.22Å; L759-S762 PolarHBondContact O-OG 2.72Å; S762-A764 PolarHBondContact O-N 2.95Å
763	S	61.4	Low	84	Confident	69 Å²	69	64.4 Å²	64.4	48%	0.483	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-51.9	122.7	-177.4	-62.3	0	0	0	0	111.7	K562 A765	K562-S763 WeakPolarHBondContact CE-OG 3.49Å; K562-S763 PolarHBondContact NZ-OG 2.99Å; S763-A765 PolarHBondContact O-N 3.3Å; S763-A765 VanDerWaalsContact O-N 3.17Å
764	A	59.2	Low	83.2	Confident	82 Å²	82	66.5 Å²	66.5	68%	0.678	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-60.2	116.4	172.1	0	0	0	0	0	109.1	S762	S762-A764 PolarHBondContact O-N 2.95Å
765	A	36.8	Very low	82.2	Confident	174 Å²	174	67 Å²	67	100%	1.438	42%	0.419	S	S	*	.			trans	-82.6	0	166.3	0	0	0	0	0	109.9	S763	S763-A765 PolarHBondContact O-N 3.3Å; S763-A765 VanDerWaalsContact O-N 3.17Å

Retrieved 765 of 765 residues in 1180.8 ms (Link to these results)

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