A0A087XPR0_POEFO 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 for their transport to the Golgi complex.

AlphaFold DB (A0A3B3V9R1), UniProt , Accession A0A087XPR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 766 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	40.9	Very low	85	Confident	240 Å²	240	93.3 Å²	93.3	100%	1.182	46%	0.459	S	S	*	.				0	124.3	0	-72.3	-177.1	-146.4	0	0	105.6
2	S	59	Low	86	Confident	69 Å²	69	87.3 Å²	87.3	48%	0.483	43%	0.429	S	S	.	.			trans	-66.5	135.4	174.5	53.3	0	0	0	0	109.2	E6	S2-E6 WeakPolarHBondContact CA-OE2 3.45Å; S2-E6 WeakPolarHBondContact CB-OE2 3.41Å
3	T	88.3	Confident	86.6	Confident	73 Å²	73	87.8 Å²	87.8	45%	0.448	43%	0.434	S	S	.	.			trans	-63.5	161	170.7	63.6	0	0	0	0	109.8	Q5 E6 F7	T3-Q5 PolarHBondContact O-N 2.9Å; T3-E6 PolarHBondContact N-OE2 3.42Å; T3-E6 PolarHBondContact O-N 3.33Å; T3-E6 WeakPolarHBondContact OG1-CG 3.05Å; T3-E6 PolarHBondContact OG1-N 2.94Å; T3-F7 PolarHBondContact O-N 3.17Å
4	Y	89.3	Confident	87.2	Confident	94 Å²	94	87.9 Å²	87.9	37%	0.369	43%	0.428	S	S	.	.	H	α-helix	trans	-59.8	-33.8	174.4	-86.9	-68.4	0	0	0	111.9	F7 I8 H513 S516	Y4-F7 WeakPolarHBondContact O-CB 3.22Å; Y4-F7 PolarHBondContact O-N 3.02Å; Y4-I8 WeakPolarHBondContact O-CB 3.26Å; Y4-I8 WeakPolarHBondContact O-CD1 3.41Å; Y4-I8 WeakPolarHBondContact O-CG1 3.33Å; Y4-I8 PolarHBondContact O-N 2.93Å; Y4-H513 PolarHBondContact OH-O 3.37Å; Y4-S516 WeakPolarHBondContact CD2-O 3.19Å; Y4-S516 WeakPolarHBondContact CE2-O 3.32Å; Y4-S516 WeakPolarHBondContact CE2-OG 3.5Å
5	Q	89.9	Confident	87.8	Confident	150 Å²	150	82.3 Å²	82.3	70%	0.701	40%	0.4	S	S	*	.	H	α-helix	trans	-62.9	-48.3	175.5	-171.6	176.5	7.7	0	0	111.9	T3 F7 I8 Q9	T3-Q5 PolarHBondContact O-N 2.9Å; Q5-F7 VanDerWaalsContact C-N 3.31Å; Q5-F7 PolarHBondContact O-N 2.87Å; Q5-I8 PolarHBondContact O-N 3.22Å; Q5-Q9 PolarHBondContact O-N 3.46Å
6	E	93.8	Very high	88.4	Confident	92 Å²	92	77.3 Å²	77.3	43%	0.43	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-41.1	174.5	-74	170.8	-175.9	0	0	111.7	S2 T3 Q9 Q10	S2-E6 WeakPolarHBondContact CA-OE2 3.45Å; S2-E6 WeakPolarHBondContact CB-OE2 3.41Å; T3-E6 PolarHBondContact N-OE2 3.42Å; T3-E6 PolarHBondContact O-N 3.33Å; T3-E6 WeakPolarHBondContact OG1-CG 3.05Å; T3-E6 PolarHBondContact OG1-N 2.94Å; E6-Q9 PolarHBondContact O-N 3.42Å; E6-Q10 WeakPolarHBondContact O-CB 3.33Å; E6-Q10 WeakPolarHBondContact O-CG 3.28Å; E6-Q10 PolarHBondContact O-N 3.36Å
7	F	94.8	Very high	89	Confident	58 Å²	58	72.8 Å²	72.8	25%	0.254	36%	0.355	S	S	.	.	H	α-helix	trans	-60.3	-47.1	176.1	175.2	-91.8	0	0	0	111.4	T3 Y4 Q5 N11 N22	T3-F7 PolarHBondContact O-N 3.17Å; Y4-F7 WeakPolarHBondContact O-CB 3.22Å; Y4-F7 PolarHBondContact O-N 3.02Å; Q5-F7 VanDerWaalsContact C-N 3.31Å; Q5-F7 PolarHBondContact O-N 2.87Å; F7-N11 WeakPolarHBondContact CD2-ND2 3.04Å; F7-N11 VanDerWaalsContact CE2-ND2 3.3Å; F7-N11 WeakPolarHBondContact CE2-ND2 3.33Å; F7-N11 WeakPolarHBondContact CZ-ND2 3.25Å; F7-N11 WeakPolarHBondContact O-CB 3.19Å; F7-N11 PolarHBondContact O-N 3.11Å; F7-N11 VanDerWaalsContact O-N 3.07Å; F7-N11 PolarHBondContact O-ND2 3.49Å; F7-N22 HydrophobicContact CE1-CB 4.02Å
8	I	95.4	Very high	89.5	Confident	21 Å²	21	70.1 Å²	70.1	11%	0.108	34%	0.34	C	S	.	.	H	α-helix	trans	-59.6	-50.6	179.6	-74.3	167.1	0	0	0	110.3	Y4 Q5 N11 E12 R18 D519	Y4-I8 WeakPolarHBondContact O-CB 3.26Å; Y4-I8 WeakPolarHBondContact O-CD1 3.41Å; Y4-I8 WeakPolarHBondContact O-CG1 3.33Å; Y4-I8 PolarHBondContact O-N 2.93Å; Q5-I8 PolarHBondContact O-N 3.22Å; I8-N11 PolarHBondContact O-N 3.42Å; I8-E12 PolarHBondContact O-N 3.16Å; I8-R18 VanDerWaalsContact CG2-CD 3.45Å; I8-D519 HydrophobicContact CD1-CB 4.12Å; I8-D519 WeakPolarHBondContact CG2-OD2 3.47Å
9	Q	94.6	Very high	90	Very high	114 Å²	114	66.4 Å²	66.4	53%	0.533	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-47	-178.1	-171.5	162.1	19.7	0	0	112.1	Q5 E6 N11 E12 D13	Q5-Q9 PolarHBondContact O-N 3.46Å; E6-Q9 PolarHBondContact O-N 3.42Å; Q9-N11 VanDerWaalsContact C-N 3.29Å; Q9-N11 PolarHBondContact O-N 3.39Å; Q9-E12 PolarHBondContact O-N 3.15Å; Q9-E12 VanDerWaalsContact O-N 3.15Å; Q9-D13 PolarHBondContact O-N 3.1Å
10	Q	94.4	Very high	90.4	Very high	109 Å²	109	63.1 Å²	63.1	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-34.7	178.1	-71.7	174.1	10.2	0	0	113.1	E6 R14	E6-Q10 WeakPolarHBondContact O-CB 3.33Å; E6-Q10 WeakPolarHBondContact O-CG 3.28Å; E6-Q10 PolarHBondContact O-N 3.36Å; Q10-R14 WeakPolarHBondContact O-CB 3.36Å; Q10-R14 PolarHBondContact O-N 3.43Å
11	N	95.1	Very high	90.7	Very high	6 Å²	6	60 Å²	60	3%	0.032	29%	0.292	C	S	.	.	H	α-helix	trans	-71.5	-37.9	176.6	-83	-105	0	0	0	111.4	F7 I8 Q9 R14 D15 R502	F7-N11 WeakPolarHBondContact CD2-ND2 3.04Å; F7-N11 VanDerWaalsContact CE2-ND2 3.3Å; F7-N11 WeakPolarHBondContact CE2-ND2 3.33Å; F7-N11 WeakPolarHBondContact CZ-ND2 3.25Å; F7-N11 WeakPolarHBondContact O-CB 3.19Å; F7-N11 PolarHBondContact O-N 3.11Å; F7-N11 VanDerWaalsContact O-N 3.07Å; F7-N11 PolarHBondContact O-ND2 3.49Å; I8-N11 PolarHBondContact O-N 3.42Å; Q9-N11 VanDerWaalsContact C-N 3.29Å; Q9-N11 PolarHBondContact O-N 3.39Å; N11-R14 PolarHBondContact OD1-NH2 3.5Å; N11-D15 WeakPolarHBondContact O-CA 3.21Å; N11-D15 WeakPolarHBondContact O-CB 3.34Å; N11-D15 PolarHBondContact O-N 2.85Å; N11-R502 PolarHBondContact OD1-NH1 3.41Å; N11-R502 VanDerWaalsContact OD1-NH1 3.14Å; N11-R502 PolarHBondContact OD1-NH2 2.85Å
12	E	96.5	Very high	93.4	Very high	22 Å²	22	49.1 Å²	49.1	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-46.6	174.9	-176.9	168.9	-158.3	0	0	111.8	I8 Q9 R14 G16 R18	I8-E12 PolarHBondContact O-N 3.16Å; Q9-E12 PolarHBondContact O-N 3.15Å; Q9-E12 VanDerWaalsContact O-N 3.15Å; E12-R14 VanDerWaalsContact C-N 3.33Å; E12-R14 PolarHBondContact O-N 3.46Å; E12-G16 WeakPolarHBondContact O-CA 3.39Å; E12-G16 PolarHBondContact O-N 3.26Å; E12-R18 HydrophobicContact CB-CG 3.94Å; E12-R18 VanDerWaalsContact CD-CG 3.4Å; E12-R18 HydrophobicContact CG-CG 3.89Å; E12-R18 WeakPolarHBondContact OE2-CD 3.5Å; E12-R18 WeakPolarHBondContact OE2-CG 3.48Å; E12-R18 IonicContact OE2-CZ 3.92Å; E12-R18 IonicContact OE2-NE 2.97Å; E12-R18 IonicContact OE2-NH1 2.77Å; E12-R18 PolarHBondContact OE2-NH1 3.28Å
13	D	94.6	Very high	95.1	Very high	93 Å²	93	46.7 Å²	46.7	50%	0.497	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-39.7	179.9	-68.3	-23.9	0	0	0	112	Q9	Q9-D13 PolarHBondContact O-N 3.1Å
14	R	94.3	Very high	95.5	Very high	90 Å²	90	43.2 Å²	43.2	34%	0.34	20%	0.198	S	C	.	.	H	α-helix	trans	-80.2	-45.8	-178.3	-174.5	-175.3	64.3	-147.8	-6.7	113	Q10 N11 E12 R48 S115	Q10-R14 WeakPolarHBondContact O-CB 3.36Å; Q10-R14 PolarHBondContact O-N 3.43Å; N11-R14 PolarHBondContact OD1-NH2 3.5Å; E12-R14 VanDerWaalsContact C-N 3.33Å; E12-R14 PolarHBondContact O-N 3.46Å; R14-R48 VanDerWaalsContact O-CD 3.22Å; R14-R48 WeakPolarHBondContact O-CD 3.45Å; R14-R48 PolarHBondContact O-NH1 2.93Å; R14-S115 VanDerWaalsContact CD-OG 3.29Å; R14-S115 WeakPolarHBondContact CD-OG 3.35Å; R14-S115 PolarHBondContact NE-OG 2.85Å
15	D	96.8	Very high	95.7	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-114.1	-9.4	-166.3	-62.4	-46.7	0	0	0	113.8	N11 V17 S115 T116 T498 I500	N11-D15 WeakPolarHBondContact O-CA 3.21Å; N11-D15 WeakPolarHBondContact O-CB 3.34Å; N11-D15 PolarHBondContact O-N 2.85Å; D15-V17 VanDerWaalsContact C-N 3.29Å; D15-V17 HydrophobicContact CB-CG2 4.39Å; D15-V17 PolarHBondContact O-N 3.38Å; D15-S115 WeakPolarHBondContact OD1-CB 3.25Å; D15-S115 PolarHBondContact OD1-OG 3.27Å; D15-S115 PolarHBondContact OD2-OG 2.81Å; D15-T116 WeakPolarHBondContact CA-OG1 3.35Å; D15-T116 PolarHBondContact OD1-N 3.41Å; D15-T116 PolarHBondContact OD1-OG1 2.68Å; D15-T498 HydrophobicContact CB-CG2 3.87Å; D15-I500 HydrophobicContact CB-CG2 4.27Å
16	G	97.3	Very high	95.8	Very high	3 Å²	3	32 Å²	32	3%	0.031	15%	0.15	C	C	.	.	S	Bend	trans	65.3	32.8	-176.3	0	0	0	0	0	112.5	E12 F42 T43	E12-G16 WeakPolarHBondContact O-CA 3.39Å; E12-G16 PolarHBondContact O-N 3.26Å; G16-F42 WeakPolarHBondContact O-CA 3.37Å; G16-T43 PolarHBondContact O-N 2.87Å
17	V	98.3	Very high	95.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.9	-175.3	-178.5	0	0	0	0	112.4	D15 F19 C40 L41 F42 F482 T498 I500	D15-V17 VanDerWaalsContact C-N 3.29Å; D15-V17 HydrophobicContact CB-CG2 4.39Å; D15-V17 PolarHBondContact O-N 3.38Å; V17-F19 HydrophobicContact CG1-CD2 3.64Å; V17-F19 HydrophobicContact CG1-CE2 3.24Å; V17-F19 HydrophobicContact CG1-CZ 4.09Å; V17-C40 HydrophobicContact CG1-CB 3.84Å; V17-L41 VanDerWaalsContact CA-O 3.31Å; V17-L41 WeakPolarHBondContact CA-O 3.49Å; V17-F42 HydrophobicContact CG2-CD2 3.54Å; V17-F42 HydrophobicContact CG2-CE2 4.18Å; V17-F42 HydrophobicContact CG2-CG 4.47Å; V17-F482 HydrophobicContact CG2-CE2 4.38Å; V17-T498 HydrophobicContact CG2-CG2 4.31Å; V17-I500 HydrophobicContact CG1-CD1 4.44Å
18	R	98.3	Very high	95.5	Very high	23 Å²	23	31 Å²	31	9%	0.087	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.1	171.1	-72.2	-76.1	-69.2	-106.6	6.2	110.3	I8 E12 C40 L41 D519 E521 A522 L613	I8-R18 VanDerWaalsContact CG2-CD 3.45Å; E12-R18 HydrophobicContact CB-CG 3.94Å; E12-R18 VanDerWaalsContact CD-CG 3.4Å; E12-R18 HydrophobicContact CG-CG 3.89Å; E12-R18 WeakPolarHBondContact OE2-CD 3.5Å; E12-R18 WeakPolarHBondContact OE2-CG 3.48Å; E12-R18 IonicContact OE2-CZ 3.92Å; E12-R18 IonicContact OE2-NE 2.97Å; E12-R18 IonicContact OE2-NH1 2.77Å; E12-R18 PolarHBondContact OE2-NH1 3.28Å; R18-C40 CarbonylContact O-C 3.6Å; R18-C40 WeakPolarHBondContact O-CA 3.3Å; R18-C40 VanDerWaalsContact O-CB 3.29Å; R18-C40 WeakPolarHBondContact O-CB 3.42Å; R18-L41 HydrophobicContact CB-CB 4.42Å; R18-L41 PolarHBondContact N-O 3.46Å; R18-L41 PolarHBondContact O-N 3.14Å; R18-D519 IonicContact CZ-OD1 3.79Å; R18-D519 IonicContact CZ-OD2 3.65Å; R18-D519 VanDerWaalsContact CZ-OD2 3.31Å; R18-D519 IonicContact NE-OD1 3.55Å; R18-D519 IonicContact NE-OD2 3.47Å; R18-D519 PolarHBondContact NE-OD2 3.01Å; R18-D519 IonicContact NH2-OD1 2.8Å; R18-D519 PolarHBondContact NH2-OD1 3.44Å; R18-D519 IonicContact NH2-OD2 3.31Å; R18-D519 PolarHBondContact NH2-OD2 3.5Å; R18-D519 VanDerWaalsContact NH2-OD2 3.07Å; R18-E521 IonicContact CZ-OE2 3.31Å; R18-E521 IonicContact NH1-OE2 2.8Å; R18-E521 IonicContact NH2-OE2 3.07Å; R18-E521 PolarHBondContact NH2-OE2 2.91Å; R18-A522 HydrophobicContact CB-CB 4.01Å; R18-L613 HydrophobicContact CG-CD2 4.21Å
19	F	98.6	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	146.2	179.9	-84.5	-91.7	0	0	0	112	V17 W21 W24 S39 C40 F462 I480 I500 D519	V17-F19 HydrophobicContact CG1-CD2 3.64Å; V17-F19 HydrophobicContact CG1-CE2 3.24Å; V17-F19 HydrophobicContact CG1-CZ 4.09Å; F19-W21 VanDerWaalsContact C-N 3.26Å; F19-W21 WeakPolarHBondContact CB-O 3.44Å; F19-W21 PolarHBondContact O-N 3.33Å; F19-W24 HydrophobicContact CD1-CZ2 4.09Å; F19-W24 AromaticContact CE1-CZ2 3.64Å; F19-W24 HydrophobicContact CE1-CZ2 3.64Å; F19-W24 AromaticContact CZ-CZ2 3.97Å; F19-W24 HydrophobicContact CZ-CZ2 3.97Å; F19-S39 CarbonylContact C-O 3.59Å; F19-S39 VanDerWaalsContact CA-O 3.32Å; F19-S39 WeakPolarHBondContact CA-O 3.44Å; F19-S39 WeakPolarHBondContact CD1-O 3.27Å; F19-C40 HydrophobicContact CD1-CB 3.71Å; F19-C40 HydrophobicContact CD2-CB 3.96Å; F19-C40 HydrophobicContact CE1-CB 3.61Å; F19-C40 HydrophobicContact CE2-CB 3.87Å; F19-C40 HydrophobicContact CG-CB 3.86Å; F19-C40 HydrophobicContact CZ-CB 3.65Å; F19-F462 HydrophobicContact CE1-CD2 4.43Å; F19-F462 HydrophobicContact CE1-CE2 4.12Å; F19-I480 HydrophobicContact CE1-CD1 3.98Å; F19-I480 HydrophobicContact CZ-CD1 3.75Å; F19-I500 HydrophobicContact CD2-CD1 4.46Å; F19-I500 HydrophobicContact CE2-CD1 3.17Å; F19-I500 HydrophobicContact CZ-CD1 3.24Å; F19-D519 WeakPolarHBondContact O-CB 3.06Å
20	S	98.2	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-59.1	-37.5	165	54.2	0	0	0	0	112.6	P37 S39 F518 D519	S20-P37 PolarHBondContact OG-O 2.96Å; S20-S39 PolarHBondContact N-O 2.99Å; S20-S39 PolarHBondContact OG-N 3.29Å; S20-S39 VanDerWaalsContact OG-N 3.12Å; S20-S39 PolarHBondContact OG-O 3.32Å; S20-S39 PolarHBondContact OG-OG 3.41Å; S20-F518 VanDerWaalsContact O-CD2 3.26Å; S20-F518 WeakPolarHBondContact O-CD2 3.27Å; S20-D519 PolarHBondContact O-N 3.22Å
21	W	97.6	Very high	94.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-132.9	123.1	178.5	-55.4	96.3	0	0	0	110.6	F19 W24 L34 V36 I514 F518 L554 F558	F19-W21 VanDerWaalsContact C-N 3.26Å; F19-W21 WeakPolarHBondContact CB-O 3.44Å; F19-W21 PolarHBondContact O-N 3.33Å; W21-W24 PolarHBondContact O-NE1 3.06Å; W21-L34 HydrophobicContact CD2-CD1 4.08Å; W21-L34 HydrophobicContact CG-CD1 4.27Å; W21-L34 HydrophobicContact CH2-CD2 4.42Å; W21-L34 HydrophobicContact CZ2-CB 3.94Å; W21-L34 HydrophobicContact CZ2-CD1 4.45Å; W21-L34 HydrophobicContact CZ2-CD2 4.46Å; W21-V36 HydrophobicContact CZ2-CB 4.25Å; W21-V36 PolarHBondContact NE1-O 2.86Å; W21-I514 HydrophobicContact CE3-CG2 3.74Å; W21-I514 HydrophobicContact CZ3-CG2 3.9Å; W21-F518 AromaticContact CD2-CD2 3.72Å; W21-F518 HydrophobicContact CD2-CD2 3.72Å; W21-F518 HydrophobicContact CD2-CE2 4.42Å; W21-F518 AromaticContact CE2-CD2 3.63Å; W21-F518 AromaticContact CE2-CE2 3.89Å; W21-F518 HydrophobicContact CE3-CB 3.91Å; W21-F518 AromaticContact CE3-CD2 3.64Å; W21-F518 HydrophobicContact CE3-CD2 3.64Å; W21-F518 HydrophobicContact CE3-CG 4.23Å; W21-F518 HydrophobicContact CH2-CB 4.28Å; W21-F518 AromaticContact CH2-CD2 3.38Å; W21-F518 HydrophobicContact CH2-CD2 3.38Å; W21-F518 AromaticContact CH2-CE2 3.89Å; W21-F518 HydrophobicContact CH2-CE2 3.89Å; W21-F518 HydrophobicContact CH2-CG 4.01Å; W21-F518 AromaticContact CZ2-CD2 3.49Å; W21-F518 HydrophobicContact CZ2-CD2 3.49Å; W21-F518 VanDerWaalsContact CZ2-CD2 3.49Å; W21-F518 AromaticContact CZ2-CE2 3.62Å; W21-F518 HydrophobicContact CZ2-CE2 3.62Å; W21-F518 HydrophobicContact CZ3-CB 3.65Å; W21-F518 AromaticContact CZ3-CD2 3.48Å; W21-F518 HydrophobicContact CZ3-CD2 3.48Å; W21-F518 VanDerWaalsContact CZ3-CD2 3.48Å; W21-F518 HydrophobicContact CZ3-CE2 4.41Å; W21-F518 AromaticContact CZ3-CG 3.87Å; W21-F518 HydrophobicContact CZ3-CG 3.87Å; W21-L554 HydrophobicContact CZ2-CD1 4.48Å; W21-F558 HydrophobicContact CH2-CD2 4.45Å; W21-F558 HydrophobicContact CH2-CE1 4.4Å; W21-F558 AromaticContact CH2-CE2 3.63Å; W21-F558 HydrophobicContact CH2-CE2 3.63Å; W21-F558 AromaticContact CH2-CZ 3.6Å; W21-F558 HydrophobicContact CH2-CZ 3.6Å; W21-F558 HydrophobicContact CZ2-CE2 4.33Å; W21-F558 HydrophobicContact CZ2-CZ 4.49Å; W21-F558 HydrophobicContact CZ3-CZ 4.09Å
22	N	97.1	Very high	94.3	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.059	15%	0.146	C	C	.	.	S	Bend	trans	-92.9	-2.3	177.1	-70.8	-73	0	0	0	113.8	F7 R502 S517	F7-N22 HydrophobicContact CE1-CB 4.02Å; N22-R502 VanDerWaalsContact O-CD 3.32Å; N22-R502 WeakPolarHBondContact O-CD 3.42Å; N22-R502 PolarHBondContact OD1-NE 3.11Å; N22-R502 PolarHBondContact OD1-NH2 3.44Å; N22-S517 PolarHBondContact N-O 2.9Å; N22-S517 PolarHBondContact ND2-O 3.41Å
23	L	95.1	Very high	93.9	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.089	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.8	168.5	-170.3	68.1	0	0	0	108.3	N503 A505 H513 I514 S517	L23-N503 HydrophobicContact CD1-CB 3.51Å; L23-N503 WeakPolarHBondContact CD1-O 3.45Å; L23-A505 HydrophobicContact CD1-CB 4.03Å; L23-A505 HydrophobicContact CD2-CB 3.55Å; L23-A505 HydrophobicContact CG-CB 3.55Å; L23-H513 VanDerWaalsContact CD2-C 3.49Å; L23-H513 HydrophobicContact CD2-CB 3.57Å; L23-H513 WeakPolarHBondContact CD2-O 3.46Å; L23-I514 HydrophobicContact CD2-CG1 3.97Å; L23-I514 HydrophobicContact CG-CG1 4.3Å; L23-S517 VanDerWaalsContact CB-OG 3.27Å; L23-S517 WeakPolarHBondContact CB-OG 3.25Å; L23-S517 PolarHBondContact N-OG 2.81Å
24	W	95.8	Very high	93.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.2	-170.7	-60.2	-21.7	0	0	0	111.8	F19 W21 S26 V38 L415 G478 I480 R502 N503 W504 A505	F19-W24 HydrophobicContact CD1-CZ2 4.09Å; F19-W24 AromaticContact CE1-CZ2 3.64Å; F19-W24 HydrophobicContact CE1-CZ2 3.64Å; F19-W24 AromaticContact CZ-CZ2 3.97Å; F19-W24 HydrophobicContact CZ-CZ2 3.97Å; W21-W24 PolarHBondContact O-NE1 3.06Å; W24-S26 PolarHBondContact O-N 2.93Å; W24-V38 HydrophobicContact CD2-CG1 4.34Å; W24-V38 HydrophobicContact CG-CG1 4.23Å; W24-L415 HydrophobicContact CH2-CD2 4.32Å; W24-L415 HydrophobicContact CZ3-CD2 4.15Å; W24-G478 WeakPolarHBondContact CZ3-O 3.41Å; W24-I480 HydrophobicContact CH2-CD1 3.54Å; W24-I480 HydrophobicContact CH2-CG1 3.99Å; W24-I480 HydrophobicContact CZ2-CD1 3.96Å; W24-I480 HydrophobicContact CZ3-CD1 4.48Å; W24-R502 HydrophobicContact CD2-CB 3.73Å; W24-R502 HydrophobicContact CD2-CG 4.37Å; W24-R502 VanDerWaalsContact CE2-CB 3.49Å; W24-R502 HydrophobicContact CE3-CB 4.03Å; W24-R502 HydrophobicContact CG-CB 4.33Å; W24-R502 HydrophobicContact CH2-CB 3.88Å; W24-R502 HydrophobicContact CH2-CG 3.96Å; W24-R502 HydrophobicContact CZ2-CB 3.57Å; W24-R502 HydrophobicContact CZ2-CG 3.36Å; W24-R502 HydrophobicContact CZ3-CB 4.11Å; W24-N503 PolarHBondContact N-O 3.41Å; W24-W504 HydrophobicContact CB-CE3 3.56Å; W24-W504 HydrophobicContact CB-CH2 4.45Å; W24-W504 HydrophobicContact CB-CZ3 3.52Å; W24-W504 HydrophobicContact CE3-CE3 4.48Å; W24-W504 AromaticContact CE3-CH2 3.86Å; W24-W504 HydrophobicContact CE3-CH2 3.86Å; W24-W504 HydrophobicContact CE3-CZ2 4.12Å; W24-W504 HydrophobicContact CE3-CZ3 4.06Å; W24-W504 HydrophobicContact CG-CZ3 4.41Å; W24-W504 CarbonylContact O-C 3.59Å; W24-W504 WeakPolarHBondContact O-CA 3.45Å; W24-A505 PolarHBondContact O-N 3.49Å
25	P	93.3	Very high	93.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.9	175.3	28	-33.3	0	0	0	109.6	S27 E30 A31 L34 V464 W504 A505 I514	P25-S27 PolarHBondContact O-N 3.24Å; P25-E30 HydrophobicContact CB-CB 4.14Å; P25-A31 HydrophobicContact CG-CB 3.64Å; P25-L34 HydrophobicContact CG-CD1 3.67Å; P25-L34 HydrophobicContact CG-CG 4.39Å; P25-V464 HydrophobicContact CG-CG2 4.4Å; P25-W504 WeakPolarHBondContact O-CZ3 3.29Å; P25-A505 CarbonylContact C-O 3.58Å; P25-I514 HydrophobicContact CB-CD1 4.49Å
26	S	91.5	Very high	93.6	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.063	13%	0.132	C	C	.	.	S	Bend	trans	-70.8	-11	-179.4	63.1	0	0	0	0	113.6	W24 N466 A505	W24-S26 PolarHBondContact O-N 2.93Å; S26-N466 VanDerWaalsContact O-CB 3.3Å; S26-N466 WeakPolarHBondContact O-CB 3.45Å; S26-N466 PolarHBondContact O-ND2 2.78Å; S26-A505 WeakPolarHBondContact CB-O 3.43Å; S26-A505 PolarHBondContact N-O 3.26Å; S26-A505 PolarHBondContact OG-O 3Å
27	S	90.9	Very high	93.5	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	-130.1	146.4	-178.1	71	0	0	0	0	114.5	P25 L29 E30 A31 H468	P25-S27 PolarHBondContact O-N 3.24Å; S27-L29 VanDerWaalsContact C-N 3.33Å; S27-L29 PolarHBondContact O-N 3.22Å; S27-E30 PolarHBondContact O-N 3.09Å; S27-E30 WeakPolarHBondContact OG-CG 3.49Å; S27-A31 PolarHBondContact O-N 3.35Å; S27-H468 PolarHBondContact OG-ND1 2.91Å; S27-H468 VanDerWaalsContact OG-ND1 3.14Å
28	R	91.1	Very high	93.5	Very high	125 Å²	125	28 Å²	28	47%	0.472	14%	0.138	S	C	.	.	H	α-helix	trans	-58.2	-39.8	176.3	-174.8	174.2	-169	-162.2	1.6	113.6	E30 A31 T32 E463 V464 N466	R28-E30 VanDerWaalsContact C-N 3.34Å; R28-E30 PolarHBondContact O-N 2.85Å; R28-A31 PolarHBondContact O-N 3.18Å; R28-T32 PolarHBondContact O-N 3.29Å; R28-T32 PolarHBondContact O-OG1 2.96Å; R28-E463 IonicContact CZ-OE1 3.84Å; R28-E463 IonicContact NE-OE1 3.48Å; R28-E463 PolarHBondContact NE-OE1 2.9Å; R28-E463 IonicContact NH2-OE1 3.73Å; R28-E463 PolarHBondContact NH2-OE1 3.03Å; R28-V464 WeakPolarHBondContact CA-O 3.42Å; R28-V464 WeakPolarHBondContact CB-O 3.44Å; R28-V464 WeakPolarHBondContact CG-O 3.18Å; R28-N466 PolarHBondContact N-O 2.67Å
29	L	89.2	Confident	93.5	Very high	74 Å²	74	26.9 Å²	26.9	39%	0.387	13%	0.134	S	C	.	.	H	α-helix	trans	-60.6	-46.7	179.9	179.3	62.9	0	0	0	110.6	S27 T32 R33 H468	S27-L29 VanDerWaalsContact C-N 3.33Å; S27-L29 PolarHBondContact O-N 3.22Å; L29-T32 PolarHBondContact O-N 3.12Å; L29-R33 WeakPolarHBondContact O-CG 3.4Å; L29-R33 PolarHBondContact O-N 3Å; L29-H468 HydrophobicContact CB-CB 4.44Å
30	E	87.5	Confident	93.5	Very high	15 Å²	15	26.9 Å²	26.9	7%	0.07	13%	0.134	C	C	.	.	H	α-helix	trans	-74.8	-34.5	-179.2	-65.4	-60.4	144.6	0	0	111.8	P25 S27 R28 T32 R33 L34 A507	P25-E30 HydrophobicContact CB-CB 4.14Å; S27-E30 PolarHBondContact O-N 3.09Å; S27-E30 WeakPolarHBondContact OG-CG 3.49Å; R28-E30 VanDerWaalsContact C-N 3.34Å; R28-E30 PolarHBondContact O-N 2.85Å; E30-T32 VanDerWaalsContact C-N 3.25Å; E30-T32 PolarHBondContact O-N 2.96Å; E30-R33 CarbonylContact O-C 3.58Å; E30-R33 WeakPolarHBondContact O-CA 3.37Å; E30-R33 WeakPolarHBondContact O-CB 3.41Å; E30-R33 PolarHBondContact O-N 3.39Å; E30-R33 IonicContact OE1-CZ 3.51Å; E30-R33 IonicContact OE1-NE 3.04Å; E30-R33 IonicContact OE1-NH1 2.74Å; E30-R33 PolarHBondContact OE1-NH1 2.79Å; E30-L34 PolarHBondContact O-N 2.86Å; E30-A507 HydrophobicContact CB-CB 3.76Å; E30-A507 HydrophobicContact CG-CB 3.79Å
31	A	89.9	Confident	93.5	Very high	20 Å²	20	27.1 Å²	27.1	17%	0.165	14%	0.135	C	C	.	.	H	α-helix	trans	-55.9	-40.6	170	0	0	0	0	0	112.7	P25 S27 R28 R33 L34 V464	P25-A31 HydrophobicContact CG-CB 3.64Å; S27-A31 PolarHBondContact O-N 3.35Å; R28-A31 PolarHBondContact O-N 3.18Å; A31-R33 VanDerWaalsContact C-N 3.28Å; A31-R33 PolarHBondContact O-N 3.1Å; A31-L34 WeakPolarHBondContact O-CB 3.28Å; A31-L34 PolarHBondContact O-N 3.45Å; A31-V464 HydrophobicContact CB-CB 3.85Å; A31-V464 HydrophobicContact CB-CG2 4.01Å
32	T	88.2	Confident	93.6	Very high	106 Å²	106	27.2 Å²	27.2	65%	0.65	14%	0.136	S	C	*	.	H	α-helix	trans	-68	-31	176.8	-52.2	0	0	0	0	111.8	R28 L29 E30 L34	R28-T32 PolarHBondContact O-N 3.29Å; R28-T32 PolarHBondContact O-OG1 2.96Å; L29-T32 PolarHBondContact O-N 3.12Å; E30-T32 VanDerWaalsContact C-N 3.25Å; E30-T32 PolarHBondContact O-N 2.96Å; T32-L34 VanDerWaalsContact C-N 3.32Å; T32-L34 PolarHBondContact O-N 3.02Å
33	R	89.5	Confident	93.7	Very high	124 Å²	124	27.1 Å²	27.1	47%	0.468	14%	0.136	S	C	.	.	H	α-helix	trans	-78.8	-9	178.4	-69.2	171.5	171.6	-176.2	-7.3	113.9	L29 E30 A31 V35	L29-R33 WeakPolarHBondContact O-CG 3.4Å; L29-R33 PolarHBondContact O-N 3Å; E30-R33 CarbonylContact O-C 3.58Å; E30-R33 WeakPolarHBondContact O-CA 3.37Å; E30-R33 WeakPolarHBondContact O-CB 3.41Å; E30-R33 PolarHBondContact O-N 3.39Å; E30-R33 IonicContact OE1-CZ 3.51Å; E30-R33 IonicContact OE1-NE 3.04Å; E30-R33 IonicContact OE1-NH1 2.74Å; E30-R33 PolarHBondContact OE1-NH1 2.79Å; A31-R33 VanDerWaalsContact C-N 3.28Å; A31-R33 PolarHBondContact O-N 3.1Å; R33-V35 PolarHBondContact O-N 3.38Å
34	L	89.3	Confident	93.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.2	174.6	-65.7	-173.4	0	0	0	113.7	W21 P25 E30 A31 T32 V36 I514 F558	W21-L34 HydrophobicContact CD2-CD1 4.08Å; W21-L34 HydrophobicContact CG-CD1 4.27Å; W21-L34 HydrophobicContact CH2-CD2 4.42Å; W21-L34 HydrophobicContact CZ2-CB 3.94Å; W21-L34 HydrophobicContact CZ2-CD1 4.45Å; W21-L34 HydrophobicContact CZ2-CD2 4.46Å; P25-L34 HydrophobicContact CG-CD1 3.67Å; P25-L34 HydrophobicContact CG-CG 4.39Å; E30-L34 PolarHBondContact O-N 2.86Å; A31-L34 WeakPolarHBondContact O-CB 3.28Å; A31-L34 PolarHBondContact O-N 3.45Å; T32-L34 VanDerWaalsContact C-N 3.32Å; T32-L34 PolarHBondContact O-N 3.02Å; L34-V36 PolarHBondContact O-N 3.5Å; L34-I514 HydrophobicContact CD1-CG2 4.47Å; L34-I514 HydrophobicContact CD2-CG2 3.94Å; L34-F558 HydrophobicContact CD2-CZ 3.81Å
35	V	92.1	Very high	93.8	Very high	29 Å²	29	27 Å²	27	18%	0.176	14%	0.135	C	C	.	.	S	Bend	trans	68.9	-59.3	-178.3	-170.4	0	0	0	0	113.3	R33 Q550 R553 L554	R33-V35 PolarHBondContact O-N 3.38Å; V35-Q550 HydrophobicContact CG1-CB 3.89Å; V35-Q550 HydrophobicContact CG1-CG 4.41Å; V35-Q550 WeakPolarHBondContact CG1-O 3.37Å; V35-Q550 VanDerWaalsContact CG1-OE1 3.31Å; V35-R553 HydrophobicContact CG1-CB 4.04Å; V35-R553 HydrophobicContact CG2-CB 3.68Å; V35-L554 HydrophobicContact CB-CD1 4.4Å
36	V	96.4	Very high	93.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	15%	0.146	C	C	.	.	S	Bend	trans	-77.9	125.5	171.7	178.7	0	0	0	0	108.5	W21 L34 F518 A523 M527 L554	W21-V36 HydrophobicContact CZ2-CB 4.25Å; W21-V36 PolarHBondContact NE1-O 2.86Å; L34-V36 PolarHBondContact O-N 3.5Å; V36-F518 HydrophobicContact CB-CE2 4.3Å; V36-F518 HydrophobicContact CG1-CE2 4.4Å; V36-F518 HydrophobicContact CG2-CE2 4.27Å; V36-F518 HydrophobicContact CG2-CZ 4.38Å; V36-A523 HydrophobicContact CG1-CB 3.98Å; V36-M527 HydrophobicContact CG1-CG 4.24Å; V36-M527 HydrophobicContact CG1-SD 4.35Å; V36-M527 HydrophobicContact CG2-CG 4.21Å; V36-M527 HydrophobicContact CG2-SD 4.43Å; V36-L554 HydrophobicContact CG2-CD1 4.3Å
37	P	96.3	Very high	93.9	Very high	21 Å²	21	32.7 Å²	32.7	14%	0.136	16%	0.16	C	C	.	.			trans	-67.4	152.6	-178.5	28	-34.6	0	0	0	111.7	S20 S39 Y461 L530	S20-P37 PolarHBondContact OG-O 2.96Å; P37-S39 PolarHBondContact O-N 2.87Å; P37-S39 PolarHBondContact O-OG 3.44Å; P37-Y461 HydrophobicContact CG-CD1 4Å; P37-Y461 HydrophobicContact CG-CE1 4.48Å; P37-L530 HydrophobicContact CG-CD1 4.32Å
38	V	97.8	Very high	93.6	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.036	17%	0.166	C	C	.	.	S	Bend	trans	-62.7	109.9	165.2	179.6	0	0	0	0	107.4	W24 F462 V464	W24-V38 HydrophobicContact CD2-CG1 4.34Å; W24-V38 HydrophobicContact CG-CG1 4.23Å; V38-F462 HydrophobicContact CG1-CB 4.45Å; V38-F462 WeakPolarHBondContact O-CA 3.19Å; V38-F462 WeakPolarHBondContact O-CB 3.31Å; V38-F462 PolarHBondContact O-N 3.46Å; V38-V464 HydrophobicContact CG2-CG2 4.44Å
39	S	98.4	Very high	93	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.8	-172.4	47.1	0	0	0	0	109.8	F19 S20 P37 V460 L526	F19-S39 CarbonylContact C-O 3.59Å; F19-S39 VanDerWaalsContact CA-O 3.32Å; F19-S39 WeakPolarHBondContact CA-O 3.44Å; F19-S39 WeakPolarHBondContact CD1-O 3.27Å; S20-S39 PolarHBondContact N-O 2.99Å; S20-S39 PolarHBondContact OG-N 3.29Å; S20-S39 VanDerWaalsContact OG-N 3.12Å; S20-S39 PolarHBondContact OG-O 3.32Å; S20-S39 PolarHBondContact OG-OG 3.41Å; P37-S39 PolarHBondContact O-N 2.87Å; P37-S39 PolarHBondContact O-OG 3.44Å; S39-V460 CarbonylContact C-O 3.59Å; S39-V460 WeakPolarHBondContact CA-O 3.27Å; S39-V460 VanDerWaalsContact CB-O 3.31Å; S39-V460 WeakPolarHBondContact CB-O 3.43Å; S39-L526 WeakPolarHBondContact OG-CD1 3.43Å
40	C	98.7	Very high	92.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149	176.7	67.6	0	0	0	0	113.3	V17 R18 F19 G459 V460	V17-C40 HydrophobicContact CG1-CB 3.84Å; R18-C40 CarbonylContact O-C 3.6Å; R18-C40 WeakPolarHBondContact O-CA 3.3Å; R18-C40 VanDerWaalsContact O-CB 3.29Å; R18-C40 WeakPolarHBondContact O-CB 3.42Å; F19-C40 HydrophobicContact CD1-CB 3.71Å; F19-C40 HydrophobicContact CD2-CB 3.96Å; F19-C40 HydrophobicContact CE1-CB 3.61Å; F19-C40 HydrophobicContact CE2-CB 3.87Å; F19-C40 HydrophobicContact CG-CB 3.86Å; F19-C40 HydrophobicContact CZ-CB 3.65Å; C40-G459 CarbonylContact O-C 3.6Å; C40-G459 WeakPolarHBondContact O-CA 3.3Å; C40-V460 PolarHBondContact N-O 2.77Å; C40-V460 PolarHBondContact O-N 2.97Å
41	L	98.8	Very high	92.3	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.5	157.9	-62.8	172.3	0	0	0	108	V17 R18 T457 L458 V525 L526 L613	V17-L41 VanDerWaalsContact CA-O 3.31Å; V17-L41 WeakPolarHBondContact CA-O 3.49Å; R18-L41 HydrophobicContact CB-CB 4.42Å; R18-L41 PolarHBondContact N-O 3.46Å; R18-L41 PolarHBondContact O-N 3.14Å; L41-T457 HydrophobicContact CB-CG2 3.84Å; L41-T457 HydrophobicContact CD2-CG2 4.22Å; L41-L458 CarbonylContact C-O 3.58Å; L41-L458 WeakPolarHBondContact CA-O 3.34Å; L41-V525 HydrophobicContact CD1-CB 4.09Å; L41-V525 HydrophobicContact CD1-CG1 3.85Å; L41-V525 HydrophobicContact CD2-CG1 4Å; L41-L526 HydrophobicContact CD2-CD2 3.81Å; L41-L526 HydrophobicContact CD2-CG 4.17Å; L41-L526 HydrophobicContact CG-CD2 4.1Å; L41-L526 HydrophobicContact CG-CG 4.11Å; L41-L613 HydrophobicContact CD1-CB 3.88Å; L41-L613 HydrophobicContact CD1-CD1 3.78Å; L41-L613 HydrophobicContact CD1-CG 4.43Å
42	F	98.8	Very high	91.8	Very high	2 Å²	2	42 Å²	42	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.2	-179.3	173.5	-124.4	0	0	0	111.2	G16 V17 P44 L407 T457 L458 F482 T498	G16-F42 WeakPolarHBondContact O-CA 3.37Å; V17-F42 HydrophobicContact CG2-CD2 3.54Å; V17-F42 HydrophobicContact CG2-CE2 4.18Å; V17-F42 HydrophobicContact CG2-CG 4.47Å; F42-P44 HydrophobicContact CE1-CB 3.74Å; F42-P44 HydrophobicContact CE1-CG 4.35Å; F42-P44 HydrophobicContact CZ-CB 3.9Å; F42-P44 VanDerWaalsContact O-CD 3.27Å; F42-P44 WeakPolarHBondContact O-CD 3.24Å; F42-L407 HydrophobicContact CD1-CD2 4.26Å; F42-L407 HydrophobicContact CE1-CD1 3.78Å; F42-L407 HydrophobicContact CE1-CD2 4.24Å; F42-T457 CarbonylContact O-C 3.57Å; F42-T457 WeakPolarHBondContact O-CA 3.27Å; F42-L458 PolarHBondContact N-O 3.41Å; F42-L458 PolarHBondContact O-N 3.45Å; F42-F482 HydrophobicContact CB-CE1 4.43Å; F42-F482 HydrophobicContact CD1-CB 4.49Å; F42-F482 AromaticContact CD1-CD1 3.67Å; F42-F482 HydrophobicContact CD1-CD1 3.67Å; F42-F482 HydrophobicContact CD1-CE1 4.11Å; F42-F482 HydrophobicContact CD1-CG 4.14Å; F42-F482 HydrophobicContact CD2-CD1 4.48Å; F42-F482 HydrophobicContact CD2-CD2 4.43Å; F42-F482 HydrophobicContact CD2-CG 4.35Å; F42-F482 HydrophobicContact CE1-CB 3.71Å; F42-F482 AromaticContact CE1-CD1 3.72Å; F42-F482 HydrophobicContact CE1-CD1 3.72Å; F42-F482 AromaticContact CE1-CG 3.84Å; F42-F482 HydrophobicContact CE1-CG 3.84Å; F42-F482 HydrophobicContact CE2-CB 4.1Å; F42-F482 HydrophobicContact CE2-CD2 4.24Å; F42-F482 HydrophobicContact CE2-CG 4.04Å; F42-F482 HydrophobicContact CG-CD1 4.05Å; F42-F482 HydrophobicContact CG-CE1 4.16Å; F42-F482 HydrophobicContact CG-CG 4.37Å; F42-F482 HydrophobicContact CZ-CB 3.46Å; F42-F482 VanDerWaalsContact CZ-CB 3.46Å; F42-F482 HydrophobicContact CZ-CD1 4.14Å; F42-F482 HydrophobicContact CZ-CD2 4.4Å; F42-F482 AromaticContact CZ-CG 3.77Å; F42-F482 HydrophobicContact CZ-CG 3.77Å; F42-T498 HydrophobicContact CE2-CG2 4.33Å
43	T	98.7	Very high	91.9	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	21%	0.206	C	C	.	.			trans	-108.4	89.2	179.1	-52	0	0	0	0	109.6	G16 L45 K46 P454 T457	G16-T43 PolarHBondContact O-N 2.87Å; T43-L45 PolarHBondContact O-N 2.72Å; T43-L45 VanDerWaalsContact O-N 3.12Å; T43-K46 HydrophobicContact CG2-CB 4.03Å; T43-K46 HydrophobicContact CG2-CD 4.38Å; T43-K46 PolarHBondContact O-N 2.7Å; T43-P454 WeakPolarHBondContact CG2-O 3.32Å; T43-T457 PolarHBondContact OG1-OG1 2.93Å
44	P	97.7	Very high	92.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.2	-171.7	18	-33.9	0	0	0	114.7	F42 T456 T484 R496	F42-P44 HydrophobicContact CE1-CB 3.74Å; F42-P44 HydrophobicContact CE1-CG 4.35Å; F42-P44 HydrophobicContact CZ-CB 3.9Å; F42-P44 VanDerWaalsContact O-CD 3.27Å; F42-P44 WeakPolarHBondContact O-CD 3.24Å; P44-T456 WeakPolarHBondContact CD-O 3.12Å; P44-T484 HydrophobicContact CB-CG2 4.1Å; P44-R496 WeakPolarHBondContact O-CD 3.33Å; P44-R496 PolarHBondContact O-NE 3.48Å
45	L	96.6	Very high	92.2	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.068	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	24.8	-177.7	-62.6	-167.5	0	0	0	114.4	T43 E47 A402 L452 P454 Y486	T43-L45 PolarHBondContact O-N 2.72Å; T43-L45 VanDerWaalsContact O-N 3.12Å; L45-E47 PolarHBondContact O-N 3.37Å; L45-A402 HydrophobicContact CD1-CB 3.51Å; L45-L452 HydrophobicContact CD1-CD1 3.23Å; L45-L452 HydrophobicContact CD1-CG 4.07Å; L45-L452 HydrophobicContact CD2-CD1 4.22Å; L45-L452 HydrophobicContact CG-CD1 3.41Å; L45-L452 VanDerWaalsContact CG-CD1 3.41Å; L45-P454 WeakPolarHBondContact O-CA 3.21Å; L45-P454 WeakPolarHBondContact O-CB 3.49Å; L45-Y486 HydrophobicContact CD1-CE2 4.27Å; L45-Y486 HydrophobicContact CD2-CD1 4.06Å; L45-Y486 HydrophobicContact CD2-CE1 3.5Å; L45-Y486 HydrophobicContact CD2-CE2 4.36Å
46	K	95.5	Very high	92.2	Very high	55 Å²	55	43.3 Å²	43.3	24%	0.239	23%	0.229	C	C	.	.			trans	-45.7	127.2	176.2	-175.2	71.2	175.7	-170.9	0	110.6	T43 R48 R496	T43-K46 HydrophobicContact CG2-CB 4.03Å; T43-K46 HydrophobicContact CG2-CD 4.38Å; T43-K46 PolarHBondContact O-N 2.7Å; K46-R48 PolarHBondContact O-N 3.35Å; K46-R496 VanDerWaalsContact O-CZ 3.25Å; K46-R496 PolarHBondContact O-NH1 2.86Å; K46-R496 PolarHBondContact O-NH2 2.92Å
47	E	90.3	Very high	92	Very high	75 Å²	75	47 Å²	47	35%	0.35	25%	0.246	S	C	.	.			trans	-65	136.2	-176.3	-60.3	-171.1	157.8	0	0	110.8	L45 R400 P454	L45-E47 PolarHBondContact O-N 3.37Å; E47-R400 IonicContact OE1-CZ 2.84Å; E47-R400 IonicContact OE1-NE 2.56Å; E47-R400 IonicContact OE1-NH1 3.07Å; E47-R400 PolarHBondContact OE1-NH1 3.18Å; E47-R400 IonicContact OE2-CZ 2.88Å; E47-R400 IonicContact OE2-NH1 3.12Å; E47-R400 PolarHBondContact OE2-NH1 3.02Å; E47-P454 HydrophobicContact CG-CB 3.58Å; E47-P454 HydrophobicContact CG-CG 3.97Å
48	R	84.9	Confident	92	Very high	41 Å²	41	46.8 Å²	46.8	16%	0.155	24%	0.244	C	C	.	.			trans	-138	88.7	174.6	-65.1	-159.1	-39.7	170.7	8.6	110.2	R14 K46 N50 L51 T116	R14-R48 VanDerWaalsContact O-CD 3.22Å; R14-R48 WeakPolarHBondContact O-CD 3.45Å; R14-R48 PolarHBondContact O-NH1 2.93Å; K46-R48 PolarHBondContact O-N 3.35Å; R48-N50 PolarHBondContact O-N 2.57Å; R48-N50 VanDerWaalsContact O-N 3.16Å; R48-L51 PolarHBondContact O-N 3.45Å; R48-T116 PolarHBondContact NH1-O 3.47Å; R48-T116 PolarHBondContact NH2-O 3.05Å
49	P	78.6	Confident	92	Very high	103 Å²	103	47.3 Å²	47.3	67%	0.669	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.7	-175.6	24.7	-33.4	0	0	0	112.8	L51	P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 PolarHBondContact O-N 2.92Å
50	N	79.8	Confident	91.9	Very high	144 Å²	144	52.3 Å²	52.3	77%	0.77	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.5	-175.8	-60.7	-29.1	0	0	0	114.4	R48	R48-N50 PolarHBondContact O-N 2.57Å; R48-N50 VanDerWaalsContact O-N 3.16Å
51	L	82.4	Confident	91.9	Very high	47 Å²	47	52.3 Å²	52.3	25%	0.246	27%	0.272	C	S	.	.	S	Bend	trans	-133.2	89	-170	-68.4	168.2	0	0	0	110.4	R48 P49 F114	R48-L51 PolarHBondContact O-N 3.45Å; P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 PolarHBondContact O-N 2.92Å; L51-F114 HydrophobicContact CD2-CD1 4Å; L51-F114 HydrophobicContact CD2-CE1 3.41Å; L51-F114 VanDerWaalsContact CD2-CE1 3.41Å; L51-F114 HydrophobicContact CD2-CE2 4.11Å; L51-F114 HydrophobicContact CD2-CZ 3.48Å; L51-F114 VanDerWaalsContact CD2-CZ 3.48Å
52	P	79.3	Confident	91.8	Very high	96 Å²	96	55.4 Å²	55.4	62%	0.623	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-68.6	157.6	-179.7	30.1	-35.2	0	0	0	111.4
53	P	89.9	Confident	91.7	Very high	41 Å²	41	61.1 Å²	61.1	27%	0.266	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-67.8	143.2	179.5	28.6	-35.3	0	0	0	111.8	E118 I120	P53-E118 CarbonylContact C-O 3.56Å; P53-E118 VanDerWaalsContact CA-O 3.25Å; P53-E118 WeakPolarHBondContact CA-O 3.42Å; P53-E118 HydrophobicContact CB-CB 4.27Å; P53-E118 HydrophobicContact CB-CG 4.16Å; P53-I120 HydrophobicContact CB-CD1 3.85Å; P53-I120 HydrophobicContact CB-CG1 3.94Å; P53-I120 HydrophobicContact CG-CD1 3.68Å; P53-I120 HydrophobicContact CG-CG1 4.28Å
54	V	93.7	Very high	91.3	Very high	20 Å²	20	64.3 Å²	64.3	12%	0.121	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-86.9	141.5	176.6	-62.9	0	0	0	0	111.4	Y56 A108 I117 E118 Y119 I120	V54-Y56 HydrophobicContact CB-CD1 4.01Å; V54-Y56 HydrophobicContact CB-CE1 3.51Å; V54-Y56 HydrophobicContact CB-CE2 4.46Å; V54-Y56 HydrophobicContact CG1-CE1 4.02Å; V54-Y56 HydrophobicContact CG2-CD1 4.38Å; V54-Y56 HydrophobicContact CG2-CD2 4.4Å; V54-Y56 HydrophobicContact CG2-CE1 3.95Å; V54-Y56 HydrophobicContact CG2-CE2 3.98Å; V54-Y56 PolarHBondContact O-N 3.46Å; V54-A108 HydrophobicContact CG1-CB 4.42Å; V54-I117 HydrophobicContact CG1-CD1 4.01Å; V54-I117 HydrophobicContact CG1-CG1 4.44Å; V54-I117 HydrophobicContact CG2-CD1 4.02Å; V54-I117 HydrophobicContact CG2-CG1 4.23Å; V54-E118 WeakPolarHBondContact CG2-O 3.36Å; V54-E118 PolarHBondContact N-O 2.96Å; V54-Y119 HydrophobicContact CG2-CD1 3.29Å; V54-Y119 HydrophobicContact CG2-CE1 3.69Å; V54-Y119 HydrophobicContact CG2-CG 3.93Å; V54-Y119 CarbonylContact O-C 3.54Å; V54-Y119 WeakPolarHBondContact O-CA 3.48Å; V54-I120 PolarHBondContact O-N 3.15Å
55	Q	92.3	Very high	90.9	Very high	154 Å²	154	71.3 Å²	71.3	72%	0.72	38%	0.38	S	S	*	.	S	Bend	trans	-98.6	50.7	-172.3	-61	-177.5	13.9	0	0	112.5	I120	Q55-I120 HydrophobicContact CG-CD1 4.37Å
56	Y	91.4	Very high	90.8	Very high	74 Å²	74	71.4 Å²	71.4	29%	0.29	38%	0.382	S	S	.	.	S	Bend	trans	-150.6	163	176	53.1	-99.2	0	0	0	111.1	V54 Y98 E109 Y119	V54-Y56 HydrophobicContact CB-CD1 4.01Å; V54-Y56 HydrophobicContact CB-CE1 3.51Å; V54-Y56 HydrophobicContact CB-CE2 4.46Å; V54-Y56 HydrophobicContact CG1-CE1 4.02Å; V54-Y56 HydrophobicContact CG2-CD1 4.38Å; V54-Y56 HydrophobicContact CG2-CD2 4.4Å; V54-Y56 HydrophobicContact CG2-CE1 3.95Å; V54-Y56 HydrophobicContact CG2-CE2 3.98Å; V54-Y56 PolarHBondContact O-N 3.46Å; Y56-Y98 WeakPolarHBondContact CE2-OH 3.44Å; Y56-E109 WeakPolarHBondContact CE2-OE2 3.18Å; Y56-E109 PolarHBondContact OH-OE2 2.85Å; Y56-Y119 HydrophobicContact CD2-CD1 4.18Å; Y56-Y119 HydrophobicContact CD2-CE1 4.21Å; Y56-Y119 HydrophobicContact CE2-CD1 4.12Å; Y56-Y119 AromaticContact CE2-CE1 3.77Å; Y56-Y119 HydrophobicContact CE2-CE1 3.77Å; Y56-Y119 WeakPolarHBondContact O-CD1 3.27Å
57	E	92.4	Very high	90.9	Very high	81 Å²	81	73.2 Å²	73.2	38%	0.379	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-72.6	142.6	-179.9	-67.5	-61.7	148.5	0	0	112	V59 V121 Q122	E57-V59 PolarHBondContact O-N 3.05Å; E57-V121 WeakPolarHBondContact OE1-CA 3.28Å; E57-V121 WeakPolarHBondContact OE1-CG1 3.36Å; E57-Q122 PolarHBondContact OE1-N 2.75Å
58	P	96.1	Very high	91.2	Very high	15 Å²	15	69.7 Å²	69.7	10%	0.097	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-65.5	133.1	176.1	26.2	-33.1	0	0	0	111.7	M60 V69 Y119 I495	P58-M60 PolarHBondContact O-N 3.03Å; P58-V69 HydrophobicContact CB-CG1 3.7Å; P58-V69 HydrophobicContact CB-CG2 4.36Å; P58-Y119 HydrophobicContact CB-CD1 4.2Å; P58-Y119 HydrophobicContact CB-CD2 4.12Å; P58-Y119 HydrophobicContact CB-CE1 4.13Å; P58-Y119 HydrophobicContact CB-CE2 4.03Å; P58-Y119 HydrophobicContact CB-CG 4.22Å; P58-I495 HydrophobicContact CG-CD1 3.99Å
59	V	97	Very high	91.9	Very high	18 Å²	18	68 Å²	68	11%	0.109	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-75.1	117.5	174.2	-177.8	0	0	0	0	109.4	E57 V69 L70 W83 P95 Y98	E57-V59 PolarHBondContact O-N 3.05Å; V59-V69 CarbonylContact O-C 3.56Å; V59-V69 WeakPolarHBondContact O-CA 3.43Å; V59-L70 HydrophobicContact CB-CB 3.95Å; V59-L70 HydrophobicContact CB-CD2 4.12Å; V59-L70 HydrophobicContact CG1-CB 4.34Å; V59-L70 HydrophobicContact CG1-CD2 4.36Å; V59-L70 HydrophobicContact CG2-CD2 4.47Å; V59-L70 WeakPolarHBondContact O-CB 3.48Å; V59-L70 PolarHBondContact O-N 2.85Å; V59-W83 HydrophobicContact CG1-CZ2 4.05Å; V59-P95 HydrophobicContact CG2-CG 3.98Å; V59-Y98 HydrophobicContact CG2-CE2 4.08Å
60	M	97.4	Very high	92.8	Very high	105 Å²	105	63.1 Å²	63.1	52%	0.517	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-104.3	150.4	-177.4	-66.2	-175.6	-78.2	0	0	112.9	P58 S62	P58-M60 PolarHBondContact O-N 3.03Å; M60-S62 PolarHBondContact O-N 2.98Å
61	C	98	Very high	93.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.			trans	-60.5	133.4	169.9	-179	0	0	0	0	110.9	R63 A68 W83 C85 C88	C61-R63 PolarHBondContact O-N 2.8Å; C61-A68 WeakPolarHBondContact CB-O 3.35Å; C61-A68 PolarHBondContact N-O 3.01Å; C61-W83 HydrophobicContact CB-CH2 3.88Å; C61-C85 HydrophobicContact CB-CB 4.24Å; C61-C88 VanDerWaalsContact SG-SG 3.62Å
62	S	97.1	Very high	94.4	Very high	69 Å²	69	55.8 Å²	55.8	48%	0.483	30%	0.298	S	S	.	.	S	Bend	trans	-65.8	-23.8	-178.7	61.7	0	0	0	0	113.7	M60 A64 N92	M60-S62 PolarHBondContact O-N 2.98Å; S62-A64 PolarHBondContact O-N 3.33Å; S62-N92 WeakPolarHBondContact CB-OD1 3.49Å; S62-N92 PolarHBondContact N-OD1 3.47Å; S62-N92 PolarHBondContact OG-OD1 3.09Å
63	R	96.1	Very high	95.2	Very high	123 Å²	123	54.2 Å²	54.2	46%	0.464	28%	0.284	S	S	.	.			trans	-67.1	120.1	-179.1	-175	174.7	-130.3	171.9	-0.2	110.9	C61 N65 C66 K67 C88 Q90	C61-R63 PolarHBondContact O-N 2.8Å; R63-N65 VanDerWaalsContact C-N 3.32Å; R63-N65 PolarHBondContact O-N 2.95Å; R63-C66 HydrophobicContact CB-CB 4.05Å; R63-C66 HydrophobicContact CG-CB 4.27Å; R63-C66 PolarHBondContact O-N 3.06Å; R63-K67 PolarHBondContact O-N 2.79Å; R63-K67 VanDerWaalsContact O-N 3.12Å; R63-C88 PolarHBondContact NH1-O 3.42Å; R63-Q90 HydrophobicContact CB-CB 4.24Å; R63-Q90 HydrophobicContact CB-CG 4.17Å
64	A	91	Very high	95.5	Very high	75 Å²	75	52.7 Å²	52.7	62%	0.62	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-43.1	-173.6	0	0	0	0	0	114	S62 C66 K67	S62-A64 PolarHBondContact O-N 3.33Å; A64-C66 VanDerWaalsContact C-N 3.31Å; A64-C66 PolarHBondContact O-N 3.23Å; A64-K67 WeakPolarHBondContact O-CG 3.31Å
65	N	90.1	Very high	95.6	Very high	148 Å²	148	59.1 Å²	59.1	79%	0.791	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	2.3	-178.1	-61	-10.3	0	0	0	113.8	R63	R63-N65 VanDerWaalsContact C-N 3.32Å; R63-N65 PolarHBondContact O-N 2.95Å
66	C	94.4	Very high	95.8	Very high	16 Å²	16	53.6 Å²	53.6	11%	0.108	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-65.1	178.3	-180	0	0	0	0	110.7	R63 A64 A68 C85 C88 K410	R63-C66 HydrophobicContact CB-CB 4.05Å; R63-C66 HydrophobicContact CG-CB 4.27Å; R63-C66 PolarHBondContact O-N 3.06Å; A64-C66 VanDerWaalsContact C-N 3.31Å; A64-C66 PolarHBondContact O-N 3.23Å; C66-A68 PolarHBondContact O-N 3.16Å; C66-C85 VanDerWaalsContact SG-SG 3.69Å; C66-C88 HydrophobicContact CB-CB 4.07Å; C66-K410 PolarHBondContact O-NZ 2.88Å
67	K	96	Very high	96	Very high	93 Å²	93	53.5 Å²	53.5	40%	0.404	29%	0.285	S	S	.	.			trans	47.5	26.5	-177	-62.6	-67.7	-173.9	-176.5	0	114.3	R63 A64 K410	R63-K67 PolarHBondContact O-N 2.79Å; R63-K67 VanDerWaalsContact O-N 3.12Å; A64-K67 WeakPolarHBondContact O-CG 3.31Å; K67-K410 WeakPolarHBondContact O-CE 3.48Å
68	A	97.6	Very high	96.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-64.7	143.2	173.4	0	0	0	0	0	109.8	C61 C66 F87 K410	C61-A68 WeakPolarHBondContact CB-O 3.35Å; C61-A68 PolarHBondContact N-O 3.01Å; C66-A68 PolarHBondContact O-N 3.16Å; A68-F87 HydrophobicContact CB-CD2 3.5Å; A68-F87 VanDerWaalsContact CB-CD2 3.5Å; A68-F87 HydrophobicContact CB-CE2 4.03Å; A68-F87 HydrophobicContact CB-CG 4.25Å; A68-K410 HydrophobicContact CB-CD 4.02Å
69	V	98.4	Very high	96	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.03	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-77.7	142.3	177	-174.9	0	0	0	0	109.3	P58 V59 N71 Y119 Q481 V483 V497	P58-V69 HydrophobicContact CB-CG1 3.7Å; P58-V69 HydrophobicContact CB-CG2 4.36Å; V59-V69 CarbonylContact O-C 3.56Å; V59-V69 WeakPolarHBondContact O-CA 3.43Å; V69-N71 PolarHBondContact O-N 3.26Å; V69-N71 PolarHBondContact O-ND2 3.15Å; V69-Y119 HydrophobicContact CG1-CE2 4.44Å; V69-Q481 PolarHBondContact O-NE2 3.23Å; V69-V483 HydrophobicContact CG2-CG2 4.28Å; V69-V497 HydrophobicContact CB-CG1 4.14Å; V69-V497 HydrophobicContact CB-CG2 4.33Å; V69-V497 HydrophobicContact CG1-CG1 4.42Å; V69-V497 HydrophobicContact CG1-CG2 4.24Å; V69-V497 HydrophobicContact CG2-CG2 4.07Å
70	L	98.3	Very high	95.9	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-51	133	170.1	-179.2	65.4	0	0	0	109.5	V59 C74 W83 F94 Y98 E109 L110	V59-L70 HydrophobicContact CB-CB 3.95Å; V59-L70 HydrophobicContact CB-CD2 4.12Å; V59-L70 HydrophobicContact CG1-CB 4.34Å; V59-L70 HydrophobicContact CG1-CD2 4.36Å; V59-L70 HydrophobicContact CG2-CD2 4.47Å; V59-L70 WeakPolarHBondContact O-CB 3.48Å; V59-L70 PolarHBondContact O-N 2.85Å; L70-C74 HydrophobicContact CD1-CB 3.93Å; L70-W83 HydrophobicContact CB-CH2 4.41Å; L70-W83 HydrophobicContact CB-CZ2 4.47Å; L70-W83 HydrophobicContact CD1-CB 4.24Å; L70-W83 HydrophobicContact CD1-CD2 3.54Å; L70-W83 HydrophobicContact CD1-CE3 3.59Å; L70-W83 HydrophobicContact CD1-CG 3.84Å; L70-W83 HydrophobicContact CD1-CH2 4.48Å; L70-W83 HydrophobicContact CD1-CZ2 4.48Å; L70-W83 HydrophobicContact CD1-CZ3 4.06Å; L70-F94 HydrophobicContact CD2-CE1 3.84Å; L70-Y98 HydrophobicContact CD2-CE2 4.47Å; L70-E109 HydrophobicContact CB-CG 4.3Å; L70-E109 HydrophobicContact CD2-CG 3.79Å; L70-E109 HydrophobicContact CG-CG 3.97Å; L70-L110 HydrophobicContact CD1-CD2 3.78Å; L70-L110 HydrophobicContact CD1-CG 4.46Å; L70-L110 HydrophobicContact CD2-CD2 4.44Å; L70-L110 HydrophobicContact CD2-CG 4.26Å; L70-L110 HydrophobicContact CG-CD2 4.02Å; L70-L110 HydrophobicContact CG-CG 4.31Å
71	N	98	Very high	95.8	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	32%	0.319	C	S	.	.			trans	-152.4	167.8	-172.8	66.1	79.8	0	0	0	110.3	V69 L73 C74 N86 E109 L110 Q481 T499	V69-N71 PolarHBondContact O-N 3.26Å; V69-N71 PolarHBondContact O-ND2 3.15Å; N71-L73 PolarHBondContact O-N 3.02Å; N71-L73 WeakPolarHBondContact OD1-CA 3.43Å; N71-L73 WeakPolarHBondContact OD1-CB 3.36Å; N71-L73 PolarHBondContact OD1-N 2.99Å; N71-C74 PolarHBondContact ND2-SG 3.5Å; N71-C74 WeakPolarHBondContact O-CB 3.12Å; N71-C74 PolarHBondContact O-N 3.39Å; N71-N86 PolarHBondContact ND2-OD1 3.38Å; N71-N86 PolarHBondContact OD1-OD1 3.19Å; N71-E109 CarbonylContact C-O 3.52Å; N71-E109 WeakPolarHBondContact CA-O 3.22Å; N71-L110 WeakPolarHBondContact O-CD2 3.45Å; N71-Q481 PolarHBondContact ND2-NE2 3.19Å; N71-T499 HydrophobicContact CB-CG2 3.84Å; N71-T499 WeakPolarHBondContact CB-OG1 3.45Å; N71-T499 VanDerWaalsContact CG-CG2 3.47Å; N71-T499 WeakPolarHBondContact OD1-CG2 3.34Å
72	P	97.2	Very high	95.7	Very high	34 Å²	34	62.6 Å²	62.6	22%	0.221	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.6	-173.9	-25.1	36.8	0	0	0	115.3	E109 M111	P72-E109 WeakPolarHBondContact CD-O 3.25Å; P72-E109 WeakPolarHBondContact CG-O 3.46Å; P72-M111 WeakPolarHBondContact CG-O 3.31Å
73	L	96.9	Very high	95.7	Very high	63 Å²	63	59.4 Å²	59.4	33%	0.33	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.8	176.9	-49.9	176.5	0	0	0	112.8	N71 N86 A479 T499 A501	N71-L73 PolarHBondContact O-N 3.02Å; N71-L73 WeakPolarHBondContact OD1-CA 3.43Å; N71-L73 WeakPolarHBondContact OD1-CB 3.36Å; N71-L73 PolarHBondContact OD1-N 2.99Å; L73-N86 HydrophobicContact CB-CB 4.01Å; L73-A479 HydrophobicContact CD1-CB 3.95Å; L73-T499 HydrophobicContact CD1-CG2 3.78Å; L73-T499 HydrophobicContact CG-CG2 4.31Å; L73-A501 HydrophobicContact CD1-CB 3.77Å; L73-A501 HydrophobicContact CD2-CB 4.2Å
74	C	96.8	Very high	95.8	Very high	10 Å²	10	54.5 Å²	54.5	7%	0.068	29%	0.293	C	S	.	.	S	Bend	trans	-73.1	134.4	178.6	-66.3	0	0	0	0	110.8	L70 N71 W83 N86	L70-C74 HydrophobicContact CD1-CB 3.93Å; N71-C74 PolarHBondContact ND2-SG 3.5Å; N71-C74 WeakPolarHBondContact O-CB 3.12Å; N71-C74 PolarHBondContact O-N 3.39Å; C74-W83 HydrophobicContact CB-CE3 4Å; C74-N86 PolarHBondContact SG-OD1 3.27Å
75	Q	95.4	Very high	96.1	Very high	154 Å²	154	51 Å²	51	72%	0.72	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.3	173.1	-67.1	180	-12	0	0	109.6	W83 A84	Q75-W83 CarbonylContact O-C 3.55Å; Q75-W83 VanDerWaalsContact O-CA 3.28Å; Q75-W83 WeakPolarHBondContact O-CA 3.43Å; Q75-A84 HydrophobicContact CB-CB 4.39Å; Q75-A84 PolarHBondContact N-O 2.82Å; Q75-A84 PolarHBondContact O-N 3.49Å
76	V	96.8	Very high	96.4	Very high	38 Å²	38	45.2 Å²	45.2	23%	0.23	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.4	-175.1	-178.6	0	0	0	0	110.3	F78 W83 F94 L110	V76-F78 HydrophobicContact CB-CE1 4.45Å; V76-F78 HydrophobicContact CB-CE2 4.18Å; V76-F78 HydrophobicContact CB-CZ 4.08Å; V76-F78 HydrophobicContact CG1-CD1 3.79Å; V76-F78 HydrophobicContact CG1-CD2 4.17Å; V76-F78 HydrophobicContact CG1-CE1 3.63Å; V76-F78 HydrophobicContact CG1-CE2 4.01Å; V76-F78 HydrophobicContact CG1-CG 4.07Å; V76-F78 HydrophobicContact CG1-CZ 3.75Å; V76-W83 HydrophobicContact CG2-CB 4.22Å; V76-F94 HydrophobicContact CG1-CE2 3.7Å; V76-F94 HydrophobicContact CG1-CZ 3.71Å; V76-F94 HydrophobicContact CG2-CZ 4.24Å; V76-L110 HydrophobicContact CG2-CD1 3.71Å; V76-L110 HydrophobicContact CG2-CD2 3.88Å; V76-L110 HydrophobicContact CG2-CG 4.48Å
77	D	95.8	Very high	96.5	Very high	73 Å²	73	45.4 Å²	45.4	39%	0.39	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	99.5	166.9	-178.1	-21.5	0	0	0	108.2	K79 A80 K81 I82	D77-K79 PolarHBondContact O-N 3.18Å; D77-K79 WeakPolarHBondContact OD1-CB 3.48Å; D77-K79 PolarHBondContact OD1-N 2.92Å; D77-A80 HydrophobicContact CB-CB 4.34Å; D77-A80 PolarHBondContact OD1-N 3.21Å; D77-A80 WeakPolarHBondContact OD2-CB 3.39Å; D77-K81 WeakPolarHBondContact O-CA 3.43Å; D77-K81 PolarHBondContact O-N 3.36Å; D77-I82 HydrophobicContact CB-CD1 4.44Å; D77-I82 HydrophobicContact CB-CG1 3.77Å; D77-I82 PolarHBondContact N-O 3.15Å; D77-I82 PolarHBondContact O-N 3.33Å
78	F	94.3	Very high	96.4	Very high	37 Å²	37	42.1 Å²	42.1	16%	0.162	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.8	-178.5	-63.6	-77.7	0	0	0	113.6	V76 K81 I101 S102 E103 Q106	V76-F78 HydrophobicContact CB-CE1 4.45Å; V76-F78 HydrophobicContact CB-CE2 4.18Å; V76-F78 HydrophobicContact CB-CZ 4.08Å; V76-F78 HydrophobicContact CG1-CD1 3.79Å; V76-F78 HydrophobicContact CG1-CD2 4.17Å; V76-F78 HydrophobicContact CG1-CE1 3.63Å; V76-F78 HydrophobicContact CG1-CE2 4.01Å; V76-F78 HydrophobicContact CG1-CG 4.07Å; V76-F78 HydrophobicContact CG1-CZ 3.75Å; F78-K81 VanDerWaalsContact O-CD 3.29Å; F78-K81 WeakPolarHBondContact O-CD 3.26Å; F78-K81 VanDerWaalsContact O-CE 3.28Å; F78-K81 WeakPolarHBondContact O-CE 3.46Å; F78-K81 PolarHBondContact O-NZ 3.46Å; F78-I101 HydrophobicContact CD1-CD1 4.27Å; F78-I101 HydrophobicContact CD1-CG1 3.94Å; F78-I101 HydrophobicContact CE1-CD1 3.95Å; F78-I101 HydrophobicContact CE1-CG1 3.82Å; F78-S102 WeakPolarHBondContact CE1-O 3.47Å; F78-E103 HydrophobicContact CD2-CG 3.5Å; F78-E103 HydrophobicContact CE2-CG 3.7Å; F78-E103 HydrophobicContact CG-CG 4.16Å; F78-E103 HydrophobicContact CZ-CG 4.48Å; F78-Q106 HydrophobicContact CE1-CG 4.12Å; F78-Q106 HydrophobicContact CZ-CG 4.03Å
79	K	93.4	Very high	96.3	Very high	197 Å²	197	47.6 Å²	47.6	86%	0.857	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-47.7	178.2	-175.1	179.8	-179.5	179.6	0	110.2	D77 K81	D77-K79 PolarHBondContact O-N 3.18Å; D77-K79 WeakPolarHBondContact OD1-CB 3.48Å; D77-K79 PolarHBondContact OD1-N 2.92Å; K79-K81 VanDerWaalsContact C-N 3.29Å
80	A	94.4	Very high	96.2	Very high	55 Å²	55	50.7 Å²	50.7	46%	0.455	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.3	177.5	0	0	0	0	0	113.4	D77 I82	D77-A80 HydrophobicContact CB-CB 4.34Å; D77-A80 PolarHBondContact OD1-N 3.21Å; D77-A80 WeakPolarHBondContact OD2-CB 3.39Å; A80-I82 VanDerWaalsContact C-N 3.31Å; A80-I82 HydrophobicContact CB-CD1 4.1Å; A80-I82 HydrophobicContact CB-CG1 3.96Å; A80-I82 PolarHBondContact O-N 2.95Å
81	K	94.9	Very high	96.2	Very high	77 Å²	77	59.3 Å²	59.3	34%	0.335	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	44.8	-177.6	-52.9	-64.2	-176.8	-154.9	0	112	D77 F78 K79 F94 I101	D77-K81 WeakPolarHBondContact O-CA 3.43Å; D77-K81 PolarHBondContact O-N 3.36Å; F78-K81 VanDerWaalsContact O-CD 3.29Å; F78-K81 WeakPolarHBondContact O-CD 3.26Å; F78-K81 VanDerWaalsContact O-CE 3.28Å; F78-K81 WeakPolarHBondContact O-CE 3.46Å; F78-K81 PolarHBondContact O-NZ 3.46Å; K79-K81 VanDerWaalsContact C-N 3.29Å; K81-F94 VanDerWaalsContact C-CD2 3.44Å; K81-F94 HydrophobicContact CB-CD2 4.44Å; K81-F94 WeakPolarHBondContact O-CD2 3.49Å; K81-F94 PolarHBondContact O-N 3.3Å; K81-F94 VanDerWaalsContact O-N 3.13Å; K81-I101 HydrophobicContact CD-CG2 3.68Å; K81-I101 PolarHBondContact NZ-O 2.85Å
82	I	97	Very high	96.2	Very high	43 Å²	43	59.3 Å²	59.3	22%	0.221	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.3	177.4	63	177.3	0	0	0	111	D77 A80 N92	D77-I82 HydrophobicContact CB-CD1 4.44Å; D77-I82 HydrophobicContact CB-CG1 3.77Å; D77-I82 PolarHBondContact N-O 3.15Å; D77-I82 PolarHBondContact O-N 3.33Å; A80-I82 VanDerWaalsContact C-N 3.31Å; A80-I82 HydrophobicContact CB-CD1 4.1Å; A80-I82 HydrophobicContact CB-CG1 3.96Å; A80-I82 PolarHBondContact O-N 2.95Å; I82-N92 CarbonylContact C-O 3.51Å; I82-N92 VanDerWaalsContact CA-O 3.27Å; I82-N92 WeakPolarHBondContact CA-O 3.47Å
83	W	97.6	Very high	96.2	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.008	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.2	171.9	63	-83.5	0	0	0	111.2	V59 C61 L70 C74 Q75 V76 C85 R91 N92 F94	V59-W83 HydrophobicContact CG1-CZ2 4.05Å; C61-W83 HydrophobicContact CB-CH2 3.88Å; L70-W83 HydrophobicContact CB-CH2 4.41Å; L70-W83 HydrophobicContact CB-CZ2 4.47Å; L70-W83 HydrophobicContact CD1-CB 4.24Å; L70-W83 HydrophobicContact CD1-CD2 3.54Å; L70-W83 HydrophobicContact CD1-CE3 3.59Å; L70-W83 HydrophobicContact CD1-CG 3.84Å; L70-W83 HydrophobicContact CD1-CH2 4.48Å; L70-W83 HydrophobicContact CD1-CZ2 4.48Å; L70-W83 HydrophobicContact CD1-CZ3 4.06Å; C74-W83 HydrophobicContact CB-CE3 4Å; Q75-W83 CarbonylContact O-C 3.55Å; Q75-W83 VanDerWaalsContact O-CA 3.28Å; Q75-W83 WeakPolarHBondContact O-CA 3.43Å; V76-W83 HydrophobicContact CG2-CB 4.22Å; W83-C85 HydrophobicContact CE3-CB 4.35Å; W83-C85 HydrophobicContact CH2-CB 4.45Å; W83-C85 HydrophobicContact CZ3-CB 3.73Å; W83-R91 CarbonylContact O-C 3.57Å; W83-R91 WeakPolarHBondContact O-CA 3.38Å; W83-N92 HydrophobicContact CD2-CB 4Å; W83-N92 VanDerWaalsContact CE2-CB 3.45Å; W83-N92 HydrophobicContact CG-CB 4.34Å; W83-N92 HydrophobicContact CZ2-CB 3.77Å; W83-N92 PolarHBondContact N-O 3.24Å; W83-N92 PolarHBondContact O-N 2.83Å; W83-F94 HydrophobicContact CB-CE1 4.3Å; W83-F94 HydrophobicContact CB-CE2 4.29Å; W83-F94 HydrophobicContact CB-CZ 3.81Å; W83-F94 AromaticContact CD1-CD1 3.75Å; W83-F94 AromaticContact CD1-CE1 3.57Å; W83-F94 AromaticContact CD1-CZ 3.84Å; W83-F94 HydrophobicContact CG-CE1 4.12Å; W83-F94 HydrophobicContact CG-CZ 4.12Å
84	A	97.8	Very high	96.1	Very high	21 Å²	21	60.2 Å²	60.2	17%	0.174	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.2	175.9	0	0	0	0	0	109.9	Q75 N86 Q90	Q75-A84 HydrophobicContact CB-CB 4.39Å; Q75-A84 PolarHBondContact N-O 2.82Å; Q75-A84 PolarHBondContact O-N 3.49Å; A84-N86 PolarHBondContact O-N 3.32Å; A84-Q90 WeakPolarHBondContact CA-O 3.35Å
85	C	97.4	Very high	96	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.307	C	S	.	.			trans	-64.6	126.2	177.7	173.3	0	0	0	0	110.8	C61 C66 W83 F87 F89 Q90	C61-C85 HydrophobicContact CB-CB 4.24Å; C66-C85 VanDerWaalsContact SG-SG 3.69Å; W83-C85 HydrophobicContact CE3-CB 4.35Å; W83-C85 HydrophobicContact CH2-CB 4.45Å; W83-C85 HydrophobicContact CZ3-CB 3.73Å; C85-F87 PolarHBondContact O-N 2.83Å; C85-F89 WeakPolarHBondContact O-CA 3.27Å; C85-F89 PolarHBondContact O-N 2.97Å; C85-Q90 PolarHBondContact N-O 3.45Å
86	N	95.9	Very high	96	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.144	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.2	-178.3	66.7	-64	0	0	0	114.4	N71 L73 C74 A84 A479	N71-N86 PolarHBondContact ND2-OD1 3.38Å; N71-N86 PolarHBondContact OD1-OD1 3.19Å; L73-N86 HydrophobicContact CB-CB 4.01Å; C74-N86 PolarHBondContact SG-OD1 3.27Å; A84-N86 PolarHBondContact O-N 3.32Å; N86-A479 WeakPolarHBondContact ND2-CB 3.24Å
87	F	95.6	Very high	95.8	Very high	21 Å²	21	63.1 Å²	63.1	9%	0.092	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-41.9	178.1	-68.6	-82	0	0	0	113.3	A68 C85 A479 Q481	A68-F87 HydrophobicContact CB-CD2 3.5Å; A68-F87 VanDerWaalsContact CB-CD2 3.5Å; A68-F87 HydrophobicContact CB-CE2 4.03Å; A68-F87 HydrophobicContact CB-CG 4.25Å; C85-F87 PolarHBondContact O-N 2.83Å; F87-A479 HydrophobicContact CE1-CB 3.88Å; F87-A479 HydrophobicContact CZ-CB 3.99Å; F87-Q481 HydrophobicContact CE1-CB 4.46Å; F87-Q481 HydrophobicContact CE2-CB 3.81Å; F87-Q481 HydrophobicContact CZ-CB 3.47Å; F87-Q481 VanDerWaalsContact CZ-CB 3.47Å
88	C	94.9	Very high	95.7	Very high	23 Å²	23	61.1 Å²	61.1	16%	0.155	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	1.3	-170.5	77.1	0	0	0	0	114.5	C61 R63 C66 Q90	C61-C88 VanDerWaalsContact SG-SG 3.62Å; R63-C88 PolarHBondContact NH1-O 3.42Å; C66-C88 HydrophobicContact CB-CB 4.07Å; C88-Q90 PolarHBondContact O-N 2.91Å; C88-Q90 WeakPolarHBondContact SG-CB 3.15Å
89	F	94.8	Very high	95.5	Very high	116 Å²	116	62.9 Å²	62.9	51%	0.509	34%	0.342	S	S	.	.			trans	58.2	11.3	-179.4	-53.8	-75.6	0	0	0	115.5	C85 R91	C85-F89 WeakPolarHBondContact O-CA 3.27Å; C85-F89 PolarHBondContact O-N 2.97Å; F89-R91 PolarHBondContact O-N 3.39Å
90	Q	97.2	Very high	95.4	Very high	69 Å²	69	56.1 Å²	56.1	32%	0.322	33%	0.328	S	S	.	.			trans	-62	127.4	172.9	-179.8	63.4	48.1	0	0	109.4	R63 A84 C85 C88 N92	R63-Q90 HydrophobicContact CB-CB 4.24Å; R63-Q90 HydrophobicContact CB-CG 4.17Å; A84-Q90 WeakPolarHBondContact CA-O 3.35Å; C85-Q90 PolarHBondContact N-O 3.45Å; C88-Q90 PolarHBondContact O-N 2.91Å; C88-Q90 WeakPolarHBondContact SG-CB 3.15Å; Q90-N92 WeakPolarHBondContact CG-OD1 3.26Å; Q90-N92 PolarHBondContact O-ND2 3.19Å
91	R	97.8	Very high	95.4	Very high	182 Å²	182	53.8 Å²	53.8	69%	0.687	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.3	167.8	-64.6	-179.2	178.7	-166.3	-1.1	108.9	W83 F89	W83-R91 CarbonylContact O-C 3.57Å; W83-R91 WeakPolarHBondContact O-CA 3.38Å; F89-R91 PolarHBondContact O-N 3.39Å
92	N	97.9	Very high	95.3	Very high	3 Å²	3	52 Å²	52	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.3	-177.3	-52.2	-76.4	0	0	0	108.5	S62 I82 W83 Q90	S62-N92 WeakPolarHBondContact CB-OD1 3.49Å; S62-N92 PolarHBondContact N-OD1 3.47Å; S62-N92 PolarHBondContact OG-OD1 3.09Å; I82-N92 CarbonylContact C-O 3.51Å; I82-N92 VanDerWaalsContact CA-O 3.27Å; I82-N92 WeakPolarHBondContact CA-O 3.47Å; W83-N92 HydrophobicContact CD2-CB 4Å; W83-N92 VanDerWaalsContact CE2-CB 3.45Å; W83-N92 HydrophobicContact CG-CB 4.34Å; W83-N92 HydrophobicContact CZ2-CB 3.77Å; W83-N92 PolarHBondContact N-O 3.24Å; W83-N92 PolarHBondContact O-N 2.83Å; Q90-N92 WeakPolarHBondContact CG-OD1 3.26Å; Q90-N92 PolarHBondContact O-ND2 3.19Å
93	P	97.1	Very high	94.9	Very high	96 Å²	96	57 Å²	57	62%	0.623	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	149.8	167.4	30.7	-33.7	0	0	0	110.2
94	F	96.1	Very high	94.6	Very high	21 Å²	21	63.8 Å²	63.8	9%	0.092	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-70.5	151.5	167.4	-77.7	-68.1	0	0	0	111.4	L70 V76 K81 W83 Y98 I101 L110	L70-F94 HydrophobicContact CD2-CE1 3.84Å; V76-F94 HydrophobicContact CG1-CE2 3.7Å; V76-F94 HydrophobicContact CG1-CZ 3.71Å; V76-F94 HydrophobicContact CG2-CZ 4.24Å; K81-F94 VanDerWaalsContact C-CD2 3.44Å; K81-F94 HydrophobicContact CB-CD2 4.44Å; K81-F94 WeakPolarHBondContact O-CD2 3.49Å; K81-F94 PolarHBondContact O-N 3.3Å; K81-F94 VanDerWaalsContact O-N 3.13Å; W83-F94 HydrophobicContact CB-CE1 4.3Å; W83-F94 HydrophobicContact CB-CE2 4.29Å; W83-F94 HydrophobicContact CB-CZ 3.81Å; W83-F94 AromaticContact CD1-CD1 3.75Å; W83-F94 AromaticContact CD1-CE1 3.57Å; W83-F94 AromaticContact CD1-CZ 3.84Å; W83-F94 HydrophobicContact CG-CE1 4.12Å; W83-F94 HydrophobicContact CG-CZ 4.12Å; F94-Y98 AromaticContact CD1-CD2 3.81Å; F94-Y98 HydrophobicContact CD1-CD2 3.81Å; F94-Y98 HydrophobicContact CD1-CG 4.47Å; F94-Y98 HydrophobicContact CE1-CD2 4.25Å; F94-I101 HydrophobicContact CD1-CD1 4.47Å; F94-I101 HydrophobicContact CD2-CD1 4.43Å; F94-I101 HydrophobicContact CD2-CG2 4.19Å; F94-I101 HydrophobicContact CE1-CD1 3.93Å; F94-I101 HydrophobicContact CE2-CD1 3.91Å; F94-I101 HydrophobicContact CE2-CG2 4.39Å; F94-I101 HydrophobicContact CZ-CD1 3.63Å; F94-L110 HydrophobicContact CZ-CD1 4.39Å
95	P	94.9	Very high	94.2	Very high	38 Å²	38	67.6 Å²	67.6	25%	0.247	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-65.1	158.5	172.2	29.6	-35.5	0	0	0	111.3	V59 S97 Y98	V59-P95 HydrophobicContact CG2-CG 3.98Å; P95-S97 PolarHBondContact O-N 3.48Å; P95-S97 VanDerWaalsContact O-N 3.13Å; P95-Y98 HydrophobicContact CG-CD1 3.88Å; P95-Y98 HydrophobicContact CG-CE1 4.38Å; P95-Y98 HydrophobicContact CG-CG 4Å; P95-Y98 PolarHBondContact O-N 3.41Å
96	P	93.6	Very high	93.9	Very high	125 Å²	125	71.1 Å²	71.1	81%	0.812	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-56.2	-31.5	180	-27	35.2	0	0	0	114.3	Y98 A99	P96-Y98 PolarHBondContact O-N 2.75Å; P96-Y98 VanDerWaalsContact O-N 3.13Å; P96-A99 WeakPolarHBondContact O-CB 3.29Å; P96-A99 PolarHBondContact O-N 3.38Å; P96-A99 VanDerWaalsContact O-N 3.17Å
97	S	92.5	Very high	93.8	Very high	100 Å²	100	70.8 Å²	70.8	70%	0.699	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-59.6	-21.2	175.3	47.9	0	0	0	0	113.3	P95	P95-S97 PolarHBondContact O-N 3.48Å; P95-S97 VanDerWaalsContact O-N 3.13Å
98	Y	94.1	Very high	93.6	Very high	31 Å²	31	70.7 Å²	70.7	12%	0.122	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-102.7	15.7	-176.5	-76.4	38	0	0	0	111.5	Y56 V59 L70 F94 P95 P96 G100 I101 P107 E109	Y56-Y98 WeakPolarHBondContact CE2-OH 3.44Å; V59-Y98 HydrophobicContact CG2-CE2 4.08Å; L70-Y98 HydrophobicContact CD2-CE2 4.47Å; F94-Y98 AromaticContact CD1-CD2 3.81Å; F94-Y98 HydrophobicContact CD1-CD2 3.81Å; F94-Y98 HydrophobicContact CD1-CG 4.47Å; F94-Y98 HydrophobicContact CE1-CD2 4.25Å; P95-Y98 HydrophobicContact CG-CD1 3.88Å; P95-Y98 HydrophobicContact CG-CE1 4.38Å; P95-Y98 HydrophobicContact CG-CG 4Å; P95-Y98 PolarHBondContact O-N 3.41Å; P96-Y98 PolarHBondContact O-N 2.75Å; P96-Y98 VanDerWaalsContact O-N 3.13Å; Y98-G100 PolarHBondContact O-N 3.24Å; Y98-G100 VanDerWaalsContact O-N 3.12Å; Y98-I101 VanDerWaalsContact O-CB 3.3Å; Y98-I101 WeakPolarHBondContact O-CB 3.49Å; Y98-I101 WeakPolarHBondContact O-CG2 3.15Å; Y98-I101 PolarHBondContact O-N 3.21Å; Y98-P107 HydrophobicContact CD2-CB 4.12Å; Y98-P107 HydrophobicContact CD2-CG 3.96Å; Y98-P107 HydrophobicContact CE2-CB 3.4Å; Y98-P107 HydrophobicContact CE2-CG 3.53Å; Y98-E109 VanDerWaalsContact CE2-OE1 3.27Å; Y98-E109 WeakPolarHBondContact CE2-OE1 3.22Å; Y98-E109 VanDerWaalsContact CZ-OE1 3.28Å; Y98-E109 PolarHBondContact OH-OE1 3.47Å
99	A	91.1	Very high	93.6	Very high	73 Å²	73	69.6 Å²	69.6	60%	0.603	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.9	-179.1	0	0	0	0	0	113.4	P96 I101	P96-A99 WeakPolarHBondContact O-CB 3.29Å; P96-A99 PolarHBondContact O-N 3.38Å; P96-A99 VanDerWaalsContact O-N 3.17Å; A99-I101 VanDerWaalsContact C-N 3.34Å; A99-I101 PolarHBondContact O-N 3.2Å
100	G	91.4	Very high	93.7	Very high	56 Å²	56	64.6 Å²	64.6	58%	0.577	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	7.7	178.7	0	0	0	0	0	116	Y98 N105	Y98-G100 PolarHBondContact O-N 3.24Å; Y98-G100 VanDerWaalsContact O-N 3.12Å; G100-N105 PolarHBondContact O-ND2 3.49Å
101	I	93.3	Very high	93.5	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.031	38%	0.379	C	S	.	.			trans	-61.3	136.1	-178.7	-167.5	176.4	0	0	0	111.6	F78 K81 F94 Y98 A99 P107 L110	F78-I101 HydrophobicContact CD1-CD1 4.27Å; F78-I101 HydrophobicContact CD1-CG1 3.94Å; F78-I101 HydrophobicContact CE1-CD1 3.95Å; F78-I101 HydrophobicContact CE1-CG1 3.82Å; K81-I101 HydrophobicContact CD-CG2 3.68Å; K81-I101 PolarHBondContact NZ-O 2.85Å; F94-I101 HydrophobicContact CD1-CD1 4.47Å; F94-I101 HydrophobicContact CD2-CD1 4.43Å; F94-I101 HydrophobicContact CD2-CG2 4.19Å; F94-I101 HydrophobicContact CE1-CD1 3.93Å; F94-I101 HydrophobicContact CE2-CD1 3.91Å; F94-I101 HydrophobicContact CE2-CG2 4.39Å; F94-I101 HydrophobicContact CZ-CD1 3.63Å; Y98-I101 VanDerWaalsContact O-CB 3.3Å; Y98-I101 WeakPolarHBondContact O-CB 3.49Å; Y98-I101 WeakPolarHBondContact O-CG2 3.15Å; Y98-I101 PolarHBondContact O-N 3.21Å; A99-I101 VanDerWaalsContact C-N 3.34Å; A99-I101 PolarHBondContact O-N 3.2Å; I101-P107 VanDerWaalsContact CD1-CD 3.46Å; I101-P107 HydrophobicContact CD1-CG 4.02Å; I101-L110 HydrophobicContact CD1-CD1 4.09Å
102	S	92.6	Very high	93.2	Very high	40 Å²	40	60.5 Å²	60.5	28%	0.28	37%	0.374	S	S	.	.			trans	-147.2	174.2	175.2	73.3	0	0	0	0	110.6	F78 V104 N105 Q106	F78-S102 WeakPolarHBondContact CE1-O 3.47Å; S102-V104 PolarHBondContact O-N 3.27Å; S102-V104 WeakPolarHBondContact OG-CG2 3.35Å; S102-N105 PolarHBondContact N-O 3.16Å; S102-N105 VanDerWaalsContact N-O 3.08Å; S102-N105 CarbonylContact O-C 3.58Å; S102-N105 VanDerWaalsContact O-C 3.23Å; S102-N105 PolarHBondContact O-N 3.43Å; S102-N105 WeakPolarHBondContact OG-CB 3.3Å; S102-N105 PolarHBondContact OG-N 3.18Å; S102-N105 VanDerWaalsContact OG-N 3.15Å; S102-Q106 WeakPolarHBondContact O-CG 3.47Å
103	E	90.1	Very high	92.9	Very high	147 Å²	147	65.8 Å²	65.8	69%	0.687	40%	0.398	S	S	*	.	S	Bend	trans	-59.4	-32.6	178.3	-71.6	-177	-178.7	0	0	113.1	F78 Q106	F78-E103 HydrophobicContact CD2-CG 3.5Å; F78-E103 HydrophobicContact CE2-CG 3.7Å; F78-E103 HydrophobicContact CG-CG 4.16Å; F78-E103 HydrophobicContact CZ-CG 4.48Å; E103-Q106 WeakPolarHBondContact O-CG 3.36Å; E103-Q106 PolarHBondContact O-NE2 2.91Å
104	V	90.6	Very high	92.7	Very high	144 Å²	144	63.1 Å²	63.1	87%	0.873	38%	0.377	S	S	*	.	S	Bend	trans	-92.4	-17.3	178.5	-63.5	0	0	0	0	113.3	S102	S102-V104 PolarHBondContact O-N 3.27Å; S102-V104 WeakPolarHBondContact OG-CG2 3.35Å
105	N	90.1	Very high	92.7	Very high	101 Å²	101	62.7 Å²	62.7	54%	0.54	38%	0.376	S	S	.	.	S	Bend	trans	-122.6	74.5	179.6	-174.7	41.2	0	0	0	109.4	G100 S102	G100-N105 PolarHBondContact O-ND2 3.49Å; S102-N105 PolarHBondContact N-O 3.16Å; S102-N105 VanDerWaalsContact N-O 3.08Å; S102-N105 CarbonylContact O-C 3.58Å; S102-N105 VanDerWaalsContact O-C 3.23Å; S102-N105 PolarHBondContact O-N 3.43Å; S102-N105 WeakPolarHBondContact OG-CB 3.3Å; S102-N105 PolarHBondContact OG-N 3.18Å; S102-N105 VanDerWaalsContact OG-N 3.15Å
106	Q	90.6	Very high	92.8	Very high	74 Å²	74	60.9 Å²	60.9	35%	0.346	37%	0.365	S	S	.	.			trans	-94.9	143.4	179.8	-59.2	-176.3	16	0	0	110.4	F78 S102 E103	F78-Q106 HydrophobicContact CE1-CG 4.12Å; F78-Q106 HydrophobicContact CZ-CG 4.03Å; S102-Q106 WeakPolarHBondContact O-CG 3.47Å; E103-Q106 WeakPolarHBondContact O-CG 3.36Å; E103-Q106 PolarHBondContact O-NE2 2.91Å
107	P	92.8	Very high	93	Very high	20 Å²	20	55.2 Å²	55.2	13%	0.13	33%	0.327	C	S	.	.			trans	-64.7	152.5	170.2	32.6	-39.1	0	0	0	110.4	Y98 I101 E109 L110	Y98-P107 HydrophobicContact CD2-CB 4.12Å; Y98-P107 HydrophobicContact CD2-CG 3.96Å; Y98-P107 HydrophobicContact CE2-CB 3.4Å; Y98-P107 HydrophobicContact CE2-CG 3.53Å; I101-P107 VanDerWaalsContact CD1-CD 3.46Å; I101-P107 HydrophobicContact CD1-CG 4.02Å; P107-E109 VanDerWaalsContact C-N 3.27Å; P107-E109 PolarHBondContact O-N 2.83Å; P107-L110 HydrophobicContact CG-CB 4.35Å; P107-L110 HydrophobicContact CG-CD1 3.71Å; P107-L110 HydrophobicContact CG-CG 4.03Å; P107-L110 PolarHBondContact O-N 3.22Å; P107-L110 VanDerWaalsContact O-N 3.08Å
108	A	93.1	Very high	93.2	Very high	19 Å²	19	51.4 Å²	51.4	16%	0.157	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-56	-40.9	-172.6	0	0	0	0	0	112.4	V54 L110 M111 F114 I117	V54-A108 HydrophobicContact CG1-CB 4.42Å; A108-L110 PolarHBondContact O-N 2.96Å; A108-M111 WeakPolarHBondContact O-CB 3.37Å; A108-M111 PolarHBondContact O-N 3.32Å; A108-F114 HydrophobicContact CB-CD1 4.19Å; A108-F114 HydrophobicContact CB-CD2 4.42Å; A108-F114 HydrophobicContact CB-CE1 4.17Å; A108-F114 HydrophobicContact CB-CE2 4.4Å; A108-F114 HydrophobicContact CB-CG 4.29Å; A108-F114 HydrophobicContact CB-CZ 4.28Å; A108-F114 WeakPolarHBondContact O-CB 2.92Å; A108-I117 HydrophobicContact CB-CD1 4.01Å
109	E	95	Very high	93.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-66.1	-8.9	-178.2	65.6	-93.5	-150.3	0	0	115.6	Y56 L70 N71 P72 Y98 P107 I117 Y119	Y56-E109 WeakPolarHBondContact CE2-OE2 3.18Å; Y56-E109 PolarHBondContact OH-OE2 2.85Å; L70-E109 HydrophobicContact CB-CG 4.3Å; L70-E109 HydrophobicContact CD2-CG 3.79Å; L70-E109 HydrophobicContact CG-CG 3.97Å; N71-E109 CarbonylContact C-O 3.52Å; N71-E109 WeakPolarHBondContact CA-O 3.22Å; P72-E109 WeakPolarHBondContact CD-O 3.25Å; P72-E109 WeakPolarHBondContact CG-O 3.46Å; Y98-E109 VanDerWaalsContact CE2-OE1 3.27Å; Y98-E109 WeakPolarHBondContact CE2-OE1 3.22Å; Y98-E109 VanDerWaalsContact CZ-OE1 3.28Å; Y98-E109 PolarHBondContact OH-OE1 3.47Å; P107-E109 VanDerWaalsContact C-N 3.27Å; P107-E109 PolarHBondContact O-N 2.83Å; E109-I117 HydrophobicContact CB-CD1 4.15Å; E109-Y119 VanDerWaalsContact CB-OH 3.25Å; E109-Y119 WeakPolarHBondContact CB-OH 3.48Å
110	L	95.7	Very high	93.5	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.058	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-95	-14.6	172.2	-75.4	177.5	0	0	0	113	L70 N71 V76 F94 I101 P107 A108	L70-L110 HydrophobicContact CD1-CD2 3.78Å; L70-L110 HydrophobicContact CD1-CG 4.46Å; L70-L110 HydrophobicContact CD2-CD2 4.44Å; L70-L110 HydrophobicContact CD2-CG 4.26Å; L70-L110 HydrophobicContact CG-CD2 4.02Å; L70-L110 HydrophobicContact CG-CG 4.31Å; N71-L110 WeakPolarHBondContact O-CD2 3.45Å; V76-L110 HydrophobicContact CG2-CD1 3.71Å; V76-L110 HydrophobicContact CG2-CD2 3.88Å; V76-L110 HydrophobicContact CG2-CG 4.48Å; F94-L110 HydrophobicContact CZ-CD1 4.39Å; I101-L110 HydrophobicContact CD1-CD1 4.09Å; P107-L110 HydrophobicContact CG-CB 4.35Å; P107-L110 HydrophobicContact CG-CD1 3.71Å; P107-L110 HydrophobicContact CG-CG 4.03Å; P107-L110 PolarHBondContact O-N 3.22Å; P107-L110 VanDerWaalsContact O-N 3.08Å; A108-L110 PolarHBondContact O-N 2.96Å
111	M	93.5	Very high	93.4	Very high	75 Å²	75	45.7 Å²	45.7	37%	0.369	25%	0.247	S	C	.	.	S	Bend	trans	-77.2	131.4	-179.7	-59.6	-179.1	83.9	0	0	110	P72 A108 Q113 F114	P72-M111 WeakPolarHBondContact CG-O 3.31Å; A108-M111 WeakPolarHBondContact O-CB 3.37Å; A108-M111 PolarHBondContact O-N 3.32Å; M111-Q113 PolarHBondContact O-N 3.37Å; M111-Q113 VanDerWaalsContact O-N 3.07Å; M111-F114 HydrophobicContact CB-CD2 3.81Å; M111-F114 HydrophobicContact CB-CE2 4.5Å; M111-F114 WeakPolarHBondContact O-CA 3.47Å; M111-F114 PolarHBondContact O-N 2.94Å; M111-F114 HydrophobicContact SD-CD2 4.32Å; M111-F114 HydrophobicContact SD-CE2 4.12Å
112	P	92.1	Very high	92.6	Very high	89 Å²	89	53 Å²	53	58%	0.578	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-58.8	-24.6	-177.4	-27.7	35.6	0	0	0	115.3	F114 S115	P112-F114 PolarHBondContact O-N 2.93Å; P112-S115 PolarHBondContact O-N 2.9Å
113	Q	90.4	Very high	91.4	Very high	114 Å²	114	57.6 Å²	57.6	53%	0.533	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-67.4	-21.2	175	-55.9	85.1	4.1	0	0	112.5	M111	M111-Q113 PolarHBondContact O-N 3.37Å; M111-Q113 VanDerWaalsContact O-N 3.07Å
114	F	94.2	Very high	90.2	Very high	41 Å²	41	53.9 Å²	53.9	18%	0.18	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-104.8	29.4	-179.8	-67.4	-95.4	0	0	0	112.2	L51 A108 M111 P112 T116 I117	L51-F114 HydrophobicContact CD2-CD1 4Å; L51-F114 HydrophobicContact CD2-CE1 3.41Å; L51-F114 VanDerWaalsContact CD2-CE1 3.41Å; L51-F114 HydrophobicContact CD2-CE2 4.11Å; L51-F114 HydrophobicContact CD2-CZ 3.48Å; L51-F114 VanDerWaalsContact CD2-CZ 3.48Å; A108-F114 HydrophobicContact CB-CD1 4.19Å; A108-F114 HydrophobicContact CB-CD2 4.42Å; A108-F114 HydrophobicContact CB-CE1 4.17Å; A108-F114 HydrophobicContact CB-CE2 4.4Å; A108-F114 HydrophobicContact CB-CG 4.29Å; A108-F114 HydrophobicContact CB-CZ 4.28Å; A108-F114 WeakPolarHBondContact O-CB 2.92Å; M111-F114 HydrophobicContact CB-CD2 3.81Å; M111-F114 HydrophobicContact CB-CE2 4.5Å; M111-F114 WeakPolarHBondContact O-CA 3.47Å; M111-F114 PolarHBondContact O-N 2.94Å; M111-F114 HydrophobicContact SD-CD2 4.32Å; M111-F114 HydrophobicContact SD-CE2 4.12Å; P112-F114 PolarHBondContact O-N 2.93Å; F114-T116 CarbonylContact C-O 3.59Å; F114-T116 WeakPolarHBondContact CA-O 3.29Å; F114-T116 CarbonylContact O-C 3.51Å; F114-T116 PolarHBondContact O-N 3.1Å; F114-I117 HydrophobicContact CB-CB 4.4Å; F114-I117 HydrophobicContact CB-CD1 4.38Å; F114-I117 HydrophobicContact CD1-CB 4.47Å; F114-I117 HydrophobicContact CD1-CD1 3.97Å; F114-I117 HydrophobicContact CD1-CG1 4.14Å
115	S	95.6	Very high	89.2	Confident	11 Å²	11	51.2 Å²	51.2	8%	0.077	29%	0.285	C	S	.	.	S	Bend	trans	-51.4	-34.6	167.2	53.7	0	0	0	0	112.1	R14 D15 P112 T498 T499	R14-S115 VanDerWaalsContact CD-OG 3.29Å; R14-S115 WeakPolarHBondContact CD-OG 3.35Å; R14-S115 PolarHBondContact NE-OG 2.85Å; D15-S115 WeakPolarHBondContact OD1-CB 3.25Å; D15-S115 PolarHBondContact OD1-OG 3.27Å; D15-S115 PolarHBondContact OD2-OG 2.81Å; P112-S115 PolarHBondContact O-N 2.9Å; S115-T498 WeakPolarHBondContact O-CA 3.44Å; S115-T499 PolarHBondContact O-N 2.61Å
116	T	97.3	Very high	88.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131	161.4	-64.9	0	0	0	0	109.4	D15 R48 F114 V497 T498	D15-T116 WeakPolarHBondContact CA-OG1 3.35Å; D15-T116 PolarHBondContact OD1-N 3.41Å; D15-T116 PolarHBondContact OD1-OG1 2.68Å; R48-T116 PolarHBondContact NH1-O 3.47Å; R48-T116 PolarHBondContact NH2-O 3.05Å; F114-T116 CarbonylContact C-O 3.59Å; F114-T116 WeakPolarHBondContact CA-O 3.29Å; F114-T116 CarbonylContact O-C 3.51Å; F114-T116 PolarHBondContact O-N 3.1Å; T116-V497 CarbonylContact C-O 3.55Å; T116-V497 WeakPolarHBondContact CA-O 3.41Å; T116-T498 VanDerWaalsContact CG2-OG1 3.28Å; T116-T498 WeakPolarHBondContact CG2-OG1 3.43Å; T116-T498 WeakPolarHBondContact OG1-CB 3.36Å; T116-T498 VanDerWaalsContact OG1-CG2 3.24Å; T116-T498 WeakPolarHBondContact OG1-CG2 3.4Å; T116-T498 PolarHBondContact OG1-OG1 2.86Å
117	I	96.8	Very high	88.2	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150.9	-178.7	-172.5	168.6	0	0	0	109.9	V54 A108 E109 F114 Y119 R496 V497	V54-I117 HydrophobicContact CG1-CD1 4.01Å; V54-I117 HydrophobicContact CG1-CG1 4.44Å; V54-I117 HydrophobicContact CG2-CD1 4.02Å; V54-I117 HydrophobicContact CG2-CG1 4.23Å; A108-I117 HydrophobicContact CB-CD1 4.01Å; E109-I117 HydrophobicContact CB-CD1 4.15Å; F114-I117 HydrophobicContact CB-CB 4.4Å; F114-I117 HydrophobicContact CB-CD1 4.38Å; F114-I117 HydrophobicContact CD1-CB 4.47Å; F114-I117 HydrophobicContact CD1-CD1 3.97Å; F114-I117 HydrophobicContact CD1-CG1 4.14Å; I117-Y119 HydrophobicContact CD1-CE1 4.44Å; I117-Y119 HydrophobicContact CG2-CD2 4.49Å; I117-Y119 HydrophobicContact CG2-CE2 3.55Å; I117-Y119 WeakPolarHBondContact CG2-OH 3.13Å; I117-R496 WeakPolarHBondContact O-CA 3.49Å; I117-V497 HydrophobicContact CG2-CB 4.24Å; I117-V497 PolarHBondContact N-O 3.49Å; I117-V497 PolarHBondContact O-N 2.81Å
118	E	97.1	Very high	88	Confident	21 Å²	21	47.1 Å²	47.1	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.7	178	-176	168.8	-93.6	0	0	110.6	P53 V54 Y486 R494 I495 R496	P53-E118 CarbonylContact C-O 3.56Å; P53-E118 VanDerWaalsContact CA-O 3.25Å; P53-E118 WeakPolarHBondContact CA-O 3.42Å; P53-E118 HydrophobicContact CB-CB 4.27Å; P53-E118 HydrophobicContact CB-CG 4.16Å; V54-E118 WeakPolarHBondContact CG2-O 3.36Å; V54-E118 PolarHBondContact N-O 2.96Å; E118-Y486 VanDerWaalsContact CD-OH 3.23Å; E118-Y486 WeakPolarHBondContact OE1-CE1 3.22Å; E118-Y486 PolarHBondContact OE1-OH 3.16Å; E118-Y486 PolarHBondContact OE2-OH 3.31Å; E118-R494 HydrophobicContact CG-CB 4.25Å; E118-R494 VanDerWaalsContact OE2-CD 3.23Å; E118-R494 WeakPolarHBondContact OE2-CD 3.4Å; E118-R494 IonicContact OE2-CZ 2.94Å; E118-R494 IonicContact OE2-NE 3.83Å; E118-R494 IonicContact OE2-NH1 3.32Å; E118-R494 PolarHBondContact OE2-NH1 3.4Å; E118-I495 CarbonylContact C-O 3.55Å; E118-I495 WeakPolarHBondContact CA-O 3.37Å; E118-R496 HydrophobicContact CB-CG 4.41Å; E118-R496 HydrophobicContact CG-CB 4.45Å; E118-R496 WeakPolarHBondContact OE1-CD 3.47Å
119	Y	96.4	Very high	88	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.6	-179.8	-55.7	-94.6	0	0	0	110.1	V54 Y56 P58 V69 E109 I117 R494 I495 V497	V54-Y119 HydrophobicContact CG2-CD1 3.29Å; V54-Y119 HydrophobicContact CG2-CE1 3.69Å; V54-Y119 HydrophobicContact CG2-CG 3.93Å; V54-Y119 CarbonylContact O-C 3.54Å; V54-Y119 WeakPolarHBondContact O-CA 3.48Å; Y56-Y119 HydrophobicContact CD2-CD1 4.18Å; Y56-Y119 HydrophobicContact CD2-CE1 4.21Å; Y56-Y119 HydrophobicContact CE2-CD1 4.12Å; Y56-Y119 AromaticContact CE2-CE1 3.77Å; Y56-Y119 HydrophobicContact CE2-CE1 3.77Å; Y56-Y119 WeakPolarHBondContact O-CD1 3.27Å; P58-Y119 HydrophobicContact CB-CD1 4.2Å; P58-Y119 HydrophobicContact CB-CD2 4.12Å; P58-Y119 HydrophobicContact CB-CE1 4.13Å; P58-Y119 HydrophobicContact CB-CE2 4.03Å; P58-Y119 HydrophobicContact CB-CG 4.22Å; V69-Y119 HydrophobicContact CG1-CE2 4.44Å; E109-Y119 VanDerWaalsContact CB-OH 3.25Å; E109-Y119 WeakPolarHBondContact CB-OH 3.48Å; I117-Y119 HydrophobicContact CD1-CE1 4.44Å; I117-Y119 HydrophobicContact CG2-CD2 4.49Å; I117-Y119 HydrophobicContact CG2-CE2 3.55Å; I117-Y119 WeakPolarHBondContact CG2-OH 3.13Å; Y119-R494 CarbonylContact O-C 3.22Å; Y119-R494 WeakPolarHBondContact O-CA 3.38Å; Y119-I495 HydrophobicContact CD2-CB 4.49Å; Y119-I495 WeakPolarHBondContact CD2-O 3.37Å; Y119-I495 PolarHBondContact N-O 3.24Å; Y119-I495 PolarHBondContact O-N 2.65Å; Y119-V497 HydrophobicContact CD2-CG2 4.13Å; Y119-V497 HydrophobicContact CE2-CB 4.16Å; Y119-V497 HydrophobicContact CE2-CG2 3.7Å
120	I	94.5	Very high	88.1	Confident	20 Å²	20	46.3 Å²	46.3	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.7	167.5	-65.9	163.9	0	0	0	108.6	P53 V54 Q55 R494	P53-I120 HydrophobicContact CB-CD1 3.85Å; P53-I120 HydrophobicContact CB-CG1 3.94Å; P53-I120 HydrophobicContact CG-CD1 3.68Å; P53-I120 HydrophobicContact CG-CG1 4.28Å; V54-I120 PolarHBondContact O-N 3.15Å; Q55-I120 HydrophobicContact CG-CD1 4.37Å; I120-R494 HydrophobicContact CG1-CG 4.25Å
121	V	89.4	Confident	88.3	Confident	19 Å²	19	45.8 Å²	45.8	12%	0.115	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.7	-176.1	175.5	0	0	0	0	109.2	E57 H123 R493 I495	E57-V121 WeakPolarHBondContact OE1-CA 3.28Å; E57-V121 WeakPolarHBondContact OE1-CG1 3.36Å; V121-H123 HydrophobicContact CG1-CB 4.09Å; V121-H123 VanDerWaalsContact CG1-CD2 3.48Å; V121-H123 WeakPolarHBondContact CG1-CD2 3.45Å; V121-H123 PolarHBondContact O-N 3.4Å; V121-R493 HydrophobicContact CB-CB 4.37Å; V121-R493 PolarHBondContact N-O 2.76Å; V121-I495 HydrophobicContact CG2-CD1 3.57Å; V121-I495 HydrophobicContact CG2-CG1 3.7Å
122	Q	76.1	Confident	88.5	Confident	159 Å²	159	42.3 Å²	42.3	74%	0.743	25%	0.246	S	C	*	.			trans	-96.5	70.8	179.8	-66.9	-170.6	6	0	0	110.8	E57	E57-Q122 PolarHBondContact OE1-N 2.75Å
123	H	68.4	Low	88.8	Confident	138 Å²	138	38 Å²	38	64%	0.639	22%	0.219	S	C	*	.			trans	-122.9	113.3	177	-79.9	-40	0	0	0	113	V121	V121-H123 HydrophobicContact CG1-CB 4.09Å; V121-H123 VanDerWaalsContact CG1-CD2 3.48Å; V121-H123 WeakPolarHBondContact CG1-CD2 3.45Å; V121-H123 PolarHBondContact O-N 3.4Å
124	G	65.1	Low	89.2	Confident	69 Å²	69	32.6 Å²	32.6	71%	0.711	19%	0.193	S	C	*	.	S	Bend	trans	78.1	173.5	166.4	0	0	0	0	0	115.5
125	P	69.6	Low	89.5	Confident	87 Å²	87	30.7 Å²	30.7	57%	0.565	19%	0.185	S	C	*	.	S	Bend	trans	-65.1	138.1	173.3	27.7	-32.9	0	0	0	110
126	S	75	Confident	89.6	Confident	69 Å²	69	30.1 Å²	30.1	48%	0.483	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-69.4	134.5	179.6	-166.1	0	0	0	0	111.7	T491	S126-T491 WeakPolarHBondContact OG-CB 3.25Å; S126-T491 PolarHBondContact OG-O 3.19Å; S126-T491 PolarHBondContact OG-OG1 3.35Å
127	A	84.2	Confident	89.7	Confident	14 Å²	14	30.7 Å²	30.7	12%	0.116	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-83.1	139.1	174.4	0	0	0	0	0	109.8	T283 Q487	A127-T283 HydrophobicContact CB-CG2 3.73Å; A127-Q487 PolarHBondContact O-NE2 3.4Å
128	P	88.1	Confident	89.8	Confident	27 Å²	27	31 Å²	31	18%	0.175	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-69.4	156.8	178	30.4	-34.7	0	0	0	111	L163	P128-L163 HydrophobicContact CB-CD1 4.4Å; P128-L163 HydrophobicContact CB-CG 4.06Å; P128-L163 HydrophobicContact CG-CD1 3.71Å; P128-L163 HydrophobicContact CG-CG 3.92Å
129	L	94.2	Very high	89.7	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.016	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-72.9	146.2	163.4	-60.5	-171.8	0	0	0	109.6	F131 P159 A162 L163 F403 S489 T491	L129-F131 HydrophobicContact CB-CE2 3.79Å; L129-F131 HydrophobicContact CD1-CE2 4.15Å; L129-F131 HydrophobicContact CD1-CZ 4.29Å; L129-P159 HydrophobicContact CD1-CG 4.46Å; L129-A162 HydrophobicContact CB-CB 4.2Å; L129-A162 CarbonylContact O-C 3.47Å; L129-A162 WeakPolarHBondContact O-CA 3.49Å; L129-L163 PolarHBondContact O-N 3.48Å; L129-F403 HydrophobicContact CD1-CE2 4.23Å; L129-F403 HydrophobicContact CD2-CD2 3.62Å; L129-F403 HydrophobicContact CD2-CE2 3.68Å; L129-S489 WeakPolarHBondContact CD1-O 3.33Å; L129-T491 HydrophobicContact CG-CG2 4.42Å
130	I	97.4	Very high	89.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.2	-178.7	-50	177.2	0	0	0	110	L163 L231 L276 F280 T283 G284 A285 R286	I130-L163 CarbonylContact C-O 3.12Å; I130-L163 WeakPolarHBondContact CA-O 3.23Å; I130-L163 HydrophobicContact CD1-CD1 4.45Å; I130-L163 HydrophobicContact CG1-CB 4.23Å; I130-L163 HydrophobicContact CG1-CD1 4.27Å; I130-L163 HydrophobicContact CG2-CB 4.35Å; I130-L231 HydrophobicContact CG2-CD1 4.34Å; I130-L231 HydrophobicContact CG2-CD2 4.05Å; I130-L276 HydrophobicContact CG2-CD2 3.88Å; I130-F280 HydrophobicContact CD1-CB 3.37Å; I130-F280 HydrophobicContact CD1-CD1 3.85Å; I130-F280 HydrophobicContact CD1-CD2 3.59Å; I130-F280 HydrophobicContact CD1-CE2 4.28Å; I130-F280 HydrophobicContact CD1-CG 3.33Å; I130-T283 HydrophobicContact CD1-CG2 4.07Å; I130-G284 PolarHBondContact N-O 2.92Å; I130-A285 HydrophobicContact CB-CB 3.82Å; I130-A285 HydrophobicContact CD1-CB 4.43Å; I130-A285 HydrophobicContact CG2-CB 4.32Å; I130-A285 CarbonylContact O-C 3.49Å; I130-A285 WeakPolarHBondContact O-CA 3.49Å; I130-R286 PolarHBondContact O-N 3.14Å
131	F	98.4	Very high	89.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.4	177.6	-64.9	-89	0	0	0	109.6	L129 L158 A162 L163 V164 G165 R286 M288 F391 F399 M401	L129-F131 HydrophobicContact CB-CE2 3.79Å; L129-F131 HydrophobicContact CD1-CE2 4.15Å; L129-F131 HydrophobicContact CD1-CZ 4.29Å; F131-L158 HydrophobicContact CB-CD1 4.18Å; F131-L158 HydrophobicContact CD1-CD2 4.09Å; F131-L158 HydrophobicContact CD2-CD1 4.06Å; F131-L158 HydrophobicContact CD2-CD2 3.78Å; F131-L158 HydrophobicContact CD2-CG 4.5Å; F131-L158 HydrophobicContact CE1-CD2 4.05Å; F131-L158 HydrophobicContact CE2-CD2 3.74Å; F131-L158 HydrophobicContact CG-CD1 4.15Å; F131-L158 HydrophobicContact CG-CD2 3.96Å; F131-L158 HydrophobicContact CZ-CD2 3.88Å; F131-A162 HydrophobicContact CD2-CB 4.15Å; F131-A162 HydrophobicContact CE2-CB 4.15Å; F131-L163 PolarHBondContact N-O 2.98Å; F131-V164 HydrophobicContact CB-CG1 4.35Å; F131-V164 VanDerWaalsContact O-CA 3.3Å; F131-V164 WeakPolarHBondContact O-CA 3.17Å; F131-G165 PolarHBondContact O-N 2.94Å; F131-R286 HydrophobicContact CD1-CB 4.03Å; F131-R286 HydrophobicContact CE1-CB 4.3Å; F131-M288 HydrophobicContact CB-CE 3.81Å; F131-M288 HydrophobicContact CD1-CE 3.92Å; F131-M288 HydrophobicContact CD1-SD 4.42Å; F131-M288 HydrophobicContact CG-CE 4.34Å; F131-F391 HydrophobicContact CD1-CE1 4.32Å; F131-F391 HydrophobicContact CE1-CE1 4.04Å; F131-F399 HydrophobicContact CZ-CD2 4.5Å; F131-F399 HydrophobicContact CZ-CE2 4.16Å; F131-M401 HydrophobicContact CE1-SD 4.15Å; F131-M401 HydrophobicContact CZ-SD 4.06Å
132	L	98.7	Very high	90.2	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	108.7	-179.4	-179.6	58.2	0	0	0	109.5	V134 I167 L231 A272 L275 L276 R286 V287 M288	L132-V134 HydrophobicContact CG-CG2 4.21Å; L132-I167 HydrophobicContact CD1-CD1 4.23Å; L132-I167 HydrophobicContact CD1-CG1 4.16Å; L132-I167 HydrophobicContact CD2-CD1 4.11Å; L132-I167 HydrophobicContact CG-CD1 4.48Å; L132-L231 HydrophobicContact CD1-CD2 4.47Å; L132-A272 HydrophobicContact CD2-CB 3.76Å; L132-L275 HydrophobicContact CD1-CD2 4.43Å; L132-L275 HydrophobicContact CD2-CD2 4.31Å; L132-L276 HydrophobicContact CD2-CD1 4.03Å; L132-L276 HydrophobicContact CD2-CD2 4.39Å; L132-L276 HydrophobicContact CD2-CG 3.98Å; L132-R286 PolarHBondContact N-O 3.13Å; L132-V287 HydrophobicContact CD2-CG2 4.45Å; L132-M288 PolarHBondContact O-N 3.38Å
133	Y	98.8	Very high	91.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.6	175.3	-62.2	-83.3	0	0	0	109.6	L151 S154 V164 G165 I167 M288 F290	Y133-L151 HydrophobicContact CD1-CD2 3.6Å; Y133-L151 HydrophobicContact CE1-CD2 3.78Å; Y133-S154 WeakPolarHBondContact CE1-OG 3.39Å; Y133-S154 PolarHBondContact OH-OG 2.94Å; Y133-V164 HydrophobicContact CE2-CG1 4.46Å; Y133-G165 PolarHBondContact N-O 3.41Å; Y133-I167 PolarHBondContact O-N 3.38Å; Y133-M288 HydrophobicContact CD1-CE 3.58Å; Y133-M288 HydrophobicContact CD2-CE 4.35Å; Y133-M288 HydrophobicContact CE1-CE 3.31Å; Y133-M288 HydrophobicContact CE1-SD 4.26Å; Y133-M288 HydrophobicContact CE2-CE 4.1Å; Y133-M288 HydrophobicContact CG-CE 4.12Å; Y133-F290 AromaticContact CD1-CE2 3.92Å; Y133-F290 HydrophobicContact CD1-CE2 3.92Å; Y133-F290 HydrophobicContact CD1-CZ 4.36Å
134	V	98.9	Very high	92.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	99	176.5	-172.9	0	0	0	0	108.2	L132 I167 F169 A268 A272 V287 M288 L289 F290	L132-V134 HydrophobicContact CG-CG2 4.21Å; V134-I167 CarbonylContact C-O 3.51Å; V134-I167 VanDerWaalsContact CA-O 3.29Å; V134-I167 WeakPolarHBondContact CA-O 3.47Å; V134-I167 HydrophobicContact CG1-CB 4.41Å; V134-I167 HydrophobicContact CG1-CG2 4.24Å; V134-I167 HydrophobicContact CG2-CB 4.36Å; V134-F169 HydrophobicContact CG1-CD1 4.03Å; V134-F169 HydrophobicContact CG1-CE1 3.97Å; V134-A268 HydrophobicContact CG1-CB 4.05Å; V134-A272 HydrophobicContact CG2-CB 3.83Å; V134-V287 HydrophobicContact CG2-CG1 3.66Å; V134-M288 PolarHBondContact N-O 3.05Å; V134-L289 HydrophobicContact CB-CD1 4.1Å; V134-L289 HydrophobicContact CG1-CD1 3.76Å; V134-L289 WeakPolarHBondContact O-CA 3.49Å; V134-F290 PolarHBondContact O-N 2.88Å
135	V	98.9	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.9	-162.3	-177.2	0	0	0	0	111	L147 L151 L166 I167 T168 F169 L248 F290	V135-L147 HydrophobicContact CG1-CD2 3.92Å; V135-L151 HydrophobicContact CG1-CD1 4.36Å; V135-L151 HydrophobicContact CG2-CD1 3.62Å; V135-L166 HydrophobicContact CG2-CD1 3.87Å; V135-I167 PolarHBondContact N-O 3.02Å; V135-T168 HydrophobicContact CB-CG2 4.41Å; V135-T168 CarbonylContact O-C 3.57Å; V135-T168 VanDerWaalsContact O-CA 3.3Å; V135-T168 WeakPolarHBondContact O-CA 3.49Å; V135-F169 VanDerWaalsContact O-CD1 3.25Å; V135-F169 WeakPolarHBondContact O-CD1 3.48Å; V135-F169 PolarHBondContact O-N 3.22Å; V135-L248 HydrophobicContact CG1-CD1 4.43Å; V135-F290 HydrophobicContact CG2-CD2 4.15Å
136	D	98.8	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.2	167.4	172.8	52.3	0	0	0	111.7	C138 L139 F169 R263 F290 G292	D136-C138 VanDerWaalsContact OD1-CB 3.31Å; D136-C138 WeakPolarHBondContact OD1-CB 3.41Å; D136-C138 PolarHBondContact OD1-N 2.85Å; D136-L139 WeakPolarHBondContact O-CD1 3.29Å; D136-L139 VanDerWaalsContact OD2-CD2 3.29Å; D136-L139 WeakPolarHBondContact OD2-CD2 2.73Å; D136-F169 CarbonylContact C-O 3.6Å; D136-F169 WeakPolarHBondContact CA-O 3.29Å; D136-F169 HydrophobicContact CB-CE1 3.94Å; D136-F169 HydrophobicContact CB-CE2 4.18Å; D136-F169 HydrophobicContact CB-CZ 3.69Å; D136-F169 VanDerWaalsContact N-CE1 3.34Å; D136-R263 IonicContact OD1-CZ 2.94Å; D136-R263 IonicContact OD1-NH1 3.66Å; D136-R263 IonicContact OD1-NH2 2.7Å; D136-R263 IonicContact OD2-CZ 3.62Å; D136-R263 IonicContact OD2-NH1 3.4Å; D136-R263 PolarHBondContact OD2-NH1 2.79Å; D136-R263 IonicContact OD2-NH2 3.58Å; D136-R263 PolarHBondContact OD2-NH2 2.75Å; D136-R263 VanDerWaalsContact OD2-NH2 3.12Å; D136-F290 WeakPolarHBondContact CB-O 3.34Å; D136-F290 PolarHBondContact N-O 2.99Å; D136-G292 PolarHBondContact OD2-N 2.8Å
137	T	98.6	Very high	96.7	Very high	12 Å²	12	28.5 Å²	28.5	7%	0.074	14%	0.142	C	C	.	.			trans	-111.9	-2	177.5	56.5	0	0	0	0	112.4	L139 F169 R250 D251	T137-L139 PolarHBondContact O-N 2.96Å; T137-F169 PolarHBondContact N-O 3.06Å; T137-F169 PolarHBondContact OG1-O 3.03Å; T137-R250 CarbonylContact O-C 3.43Å; T137-R250 WeakPolarHBondContact O-CA 3.19Å; T137-D251 PolarHBondContact O-N 2.77Å
138	C	98.3	Very high	97.4	Very high	13 Å²	13	28.7 Å²	28.7	9%	0.088	14%	0.14	C	C	.	.			trans	-81	49.6	172.8	-66.8	0	0	0	0	111.8	D136 G170 P261 R263	D136-C138 VanDerWaalsContact OD1-CB 3.31Å; D136-C138 WeakPolarHBondContact OD1-CB 3.41Å; D136-C138 PolarHBondContact OD1-N 2.85Å; C138-G170 WeakPolarHBondContact SG-CA 3.4Å; C138-P261 HydrophobicContact CB-CB 3.71Å; C138-P261 HydrophobicContact CB-CG 4.28Å; C138-R263 PolarHBondContact O-NH2 2.79Å
139	L	96.8	Very high	97.9	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.031	15%	0.151	C	C	.	.	S	Bend	trans	-112.5	164.7	-177.7	-61.3	177.9	0	0	0	111	D136 T137 D143 L144 L147 R250 F378	D136-L139 WeakPolarHBondContact O-CD1 3.29Å; D136-L139 VanDerWaalsContact OD2-CD2 3.29Å; D136-L139 WeakPolarHBondContact OD2-CD2 2.73Å; T137-L139 PolarHBondContact O-N 2.96Å; L139-D143 HydrophobicContact CB-CB 4.43Å; L139-L144 HydrophobicContact CB-CB 4.15Å; L139-L144 HydrophobicContact CD1-CB 4.35Å; L139-L144 HydrophobicContact CD1-CD1 4.14Å; L139-L147 HydrophobicContact CD1-CD2 3.87Å; L139-R250 VanDerWaalsContact O-CZ 3.26Å; L139-R250 PolarHBondContact O-NE 3.13Å; L139-R250 PolarHBondContact O-NH2 3.26Å; L139-F378 HydrophobicContact CD1-CD2 4.07Å; L139-F378 HydrophobicContact CD1-CE2 3.97Å; L139-F378 HydrophobicContact CD2-CD2 4.44Å; L139-F378 HydrophobicContact CD2-CE2 4.05Å
140	E	96.1	Very high	98.1	Very high	111 Å²	111	31.6 Å²	31.6	52%	0.519	15%	0.152	S	C	.	.			trans	-72.1	157.6	161.7	-65.9	-51.2	133.2	0	0	110.8	E142 D143 L144 R250	E140-E142 PolarHBondContact O-N 2.79Å; E140-D143 PolarHBondContact O-N 2.79Å; E140-L144 WeakPolarHBondContact O-CB 3.36Å; E140-L144 PolarHBondContact O-N 2.65Å; E140-R250 VanDerWaalsContact CD-NH2 3.26Å; E140-R250 IonicContact OE1-CZ 3.66Å; E140-R250 IonicContact OE1-NH2 3.99Å; E140-R250 PolarHBondContact OE1-NH2 2.94Å; E140-R250 IonicContact OE2-CZ 2.92Å; E140-R250 VanDerWaalsContact OE2-CZ 3.32Å; E140-R250 IonicContact OE2-NH1 3.82Å; E140-R250 PolarHBondContact OE2-NH1 3.17Å; E140-R250 IonicContact OE2-NH2 3.56Å; E140-R250 PolarHBondContact OE2-NH2 3.06Å; E140-R250 VanDerWaalsContact OE2-NH2 3.11Å
141	E	96.5	Very high	98.1	Very high	144 Å²	144	31.6 Å²	31.6	67%	0.673	15%	0.152	S	C	*	.	H	α-helix	trans	-64.2	-40.8	-170.9	-169.9	167.4	-173.3	0	0	112.6	L144 Q145	E141-L144 PolarHBondContact O-N 2.94Å; E141-Q145 VanDerWaalsContact O-CB 3.27Å; E141-Q145 WeakPolarHBondContact O-CB 3.44Å; E141-Q145 PolarHBondContact O-N 2.98Å
142	E	97.3	Very high	98.1	Very high	148 Å²	148	34.1 Å²	34.1	69%	0.692	16%	0.164	S	C	*	.	H	α-helix	trans	-63.3	-42.2	176.8	-63.1	-178.2	-173.2	0	0	112.3	E140 Q145 A146	E140-E142 PolarHBondContact O-N 2.79Å; E142-Q145 PolarHBondContact O-N 2.83Å; E142-A146 WeakPolarHBondContact O-CB 3.4Å; E142-A146 PolarHBondContact O-N 3.21Å
143	D	97.8	Very high	98.1	Very high	32 Å²	32	36.6 Å²	36.6	17%	0.171	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-44.5	177.4	-85.3	-41.7	0	0	0	111.7	L139 E140 Q145 A146 L147 S377 F378 N379	L139-D143 HydrophobicContact CB-CB 4.43Å; E140-D143 PolarHBondContact O-N 2.79Å; D143-Q145 VanDerWaalsContact C-N 3.32Å; D143-Q145 PolarHBondContact O-N 2.86Å; D143-A146 PolarHBondContact O-N 2.85Å; D143-L147 WeakPolarHBondContact O-CB 3.35Å; D143-L147 PolarHBondContact O-N 2.85Å; D143-S377 VanDerWaalsContact OD1-CB 3.3Å; D143-S377 WeakPolarHBondContact OD1-CB 3.16Å; D143-S377 PolarHBondContact OD1-OG 3.47Å; D143-F378 HydrophobicContact CB-CD2 4.44Å; D143-F378 PolarHBondContact OD1-N 2.81Å; D143-N379 PolarHBondContact OD1-N 3.48Å
144	L	98.3	Very high	98	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-42.6	176.9	-177.7	60.2	0	0	0	110.7	L139 E140 E141 L147 K148 Q249 R250	L139-L144 HydrophobicContact CB-CB 4.15Å; L139-L144 HydrophobicContact CD1-CB 4.35Å; L139-L144 HydrophobicContact CD1-CD1 4.14Å; E140-L144 WeakPolarHBondContact O-CB 3.36Å; E140-L144 PolarHBondContact O-N 2.65Å; E141-L144 PolarHBondContact O-N 2.94Å; L144-L147 PolarHBondContact O-N 3Å; L144-K148 HydrophobicContact CD1-CD 4.48Å; L144-K148 HydrophobicContact CD1-CG 4.44Å; L144-K148 HydrophobicContact CG-CD 4.03Å; L144-K148 HydrophobicContact CG-CG 4.47Å; L144-K148 WeakPolarHBondContact O-CD 3.48Å; L144-K148 WeakPolarHBondContact O-CG 3.27Å; L144-K148 PolarHBondContact O-N 2.86Å; L144-Q249 VanDerWaalsContact CD2-C 3.41Å; L144-R250 HydrophobicContact CD2-CG 4.24Å
145	Q	98.4	Very high	97.9	Very high	79 Å²	79	36.8 Å²	36.8	37%	0.369	18%	0.177	S	C	.	.	H	α-helix	trans	-62.8	-47	178.2	-175.4	54.5	34.4	0	0	111.9	E141 E142 D143 L147 K148 E149	E141-Q145 VanDerWaalsContact O-CB 3.27Å; E141-Q145 WeakPolarHBondContact O-CB 3.44Å; E141-Q145 PolarHBondContact O-N 2.98Å; E142-Q145 PolarHBondContact O-N 2.83Å; D143-Q145 VanDerWaalsContact C-N 3.32Å; D143-Q145 PolarHBondContact O-N 2.86Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 2.85Å; Q145-K148 WeakPolarHBondContact O-CB 3.44Å; Q145-K148 PolarHBondContact O-N 3.46Å; Q145-E149 PolarHBondContact NE2-OE1 2.81Å; Q145-E149 WeakPolarHBondContact O-CG 3.47Å; Q145-E149 PolarHBondContact O-N 2.63Å; Q145-E149 VanDerWaalsContact O-N 3.11Å
146	A	98.3	Very high	97.8	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-35.4	175.8	0	0	0	0	0	113	E142 D143 S150 N379	E142-A146 WeakPolarHBondContact O-CB 3.4Å; E142-A146 PolarHBondContact O-N 3.21Å; D143-A146 PolarHBondContact O-N 2.85Å; A146-S150 PolarHBondContact O-N 3.34Å; A146-S150 PolarHBondContact O-OG 3.37Å; A146-N379 HydrophobicContact CB-CB 3.6Å
147	L	98.6	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-47.7	173.8	178.3	57.5	0	0	0	110.8	V135 L139 D143 L144 Q145 E149 S150 L151 F290 F378 F383	V135-L147 HydrophobicContact CG1-CD2 3.92Å; L139-L147 HydrophobicContact CD1-CD2 3.87Å; D143-L147 WeakPolarHBondContact O-CB 3.35Å; D143-L147 PolarHBondContact O-N 2.85Å; L144-L147 PolarHBondContact O-N 3Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 2.85Å; L147-E149 VanDerWaalsContact C-N 3.33Å; L147-E149 PolarHBondContact O-N 3.42Å; L147-S150 WeakPolarHBondContact O-CA 3.35Å; L147-S150 WeakPolarHBondContact O-CB 3.3Å; L147-S150 PolarHBondContact O-N 3.32Å; L147-L151 HydrophobicContact CD1-CD1 4.34Å; L147-L151 HydrophobicContact CD1-CD2 4.17Å; L147-L151 HydrophobicContact CD1-CG 4.03Å; L147-L151 HydrophobicContact CG-CD1 4.17Å; L147-L151 HydrophobicContact CG-CG 4.28Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 3.17Å; L147-F290 HydrophobicContact CD1-CB 4.18Å; L147-F290 HydrophobicContact CD1-CD1 3.47Å; L147-F290 VanDerWaalsContact CD1-CD1 3.47Å; L147-F290 HydrophobicContact CD1-CE1 4.05Å; L147-F290 HydrophobicContact CD1-CG 3.89Å; L147-F290 HydrophobicContact CD2-CB 3.87Å; L147-F290 HydrophobicContact CD2-CG 4.4Å; L147-F378 HydrophobicContact CB-CB 4.2Å; L147-F378 HydrophobicContact CB-CD2 4.4Å; L147-F378 HydrophobicContact CB-CG 4.17Å; L147-F378 HydrophobicContact CD1-CD1 4.08Å; L147-F378 HydrophobicContact CD1-CE1 4.21Å; L147-F378 HydrophobicContact CD1-CG 4.45Å; L147-F378 HydrophobicContact CD2-CD2 4.31Å; L147-F378 HydrophobicContact CD2-CE2 4.19Å; L147-F378 HydrophobicContact CD2-CZ 4.36Å; L147-F383 HydrophobicContact CD1-CE1 4.28Å; L147-F383 HydrophobicContact CD1-CZ 4.08Å
148	K	98.5	Very high	97.5	Very high	18 Å²	18	43.3 Å²	43.3	8%	0.078	22%	0.218	C	C	.	.	H	α-helix	trans	-54.2	-47.6	177.8	-70.1	161.7	56.9	-173.2	0	111.9	L144 Q145 S150 L151 Q152 L245 G246 L248	L144-K148 HydrophobicContact CD1-CD 4.48Å; L144-K148 HydrophobicContact CD1-CG 4.44Å; L144-K148 HydrophobicContact CG-CD 4.03Å; L144-K148 HydrophobicContact CG-CG 4.47Å; L144-K148 WeakPolarHBondContact O-CD 3.48Å; L144-K148 WeakPolarHBondContact O-CG 3.27Å; L144-K148 PolarHBondContact O-N 2.86Å; Q145-K148 WeakPolarHBondContact O-CB 3.44Å; Q145-K148 PolarHBondContact O-N 3.46Å; K148-S150 VanDerWaalsContact C-N 3.31Å; K148-S150 PolarHBondContact O-N 3.16Å; K148-L151 PolarHBondContact O-N 3.43Å; K148-Q152 WeakPolarHBondContact O-CG 3.36Å; K148-Q152 PolarHBondContact O-N 3.42Å; K148-L245 WeakPolarHBondContact CD-O 3.43Å; K148-L245 WeakPolarHBondContact CE-O 3.33Å; K148-L245 VanDerWaalsContact CG-O 3.23Å; K148-L245 WeakPolarHBondContact CG-O 3.47Å; K148-G246 VanDerWaalsContact CE-C 3.45Å; K148-G246 WeakPolarHBondContact CE-O 3.4Å; K148-G246 PolarHBondContact NZ-O 2.92Å; K148-L248 HydrophobicContact CD-CB 4.06Å; K148-L248 HydrophobicContact CG-CB 4.25Å; K148-L248 PolarHBondContact NZ-O 2.84Å
149	E	98.3	Very high	97.3	Very high	86 Å²	86	44.8 Å²	44.8	40%	0.402	23%	0.227	S	C	.	.	H	α-helix	trans	-57.8	-43.6	175.8	-70.7	166.9	-168.1	0	0	112	Q145 L147 Q152 M153 K384	Q145-E149 PolarHBondContact NE2-OE1 2.81Å; Q145-E149 WeakPolarHBondContact O-CG 3.47Å; Q145-E149 PolarHBondContact O-N 2.63Å; Q145-E149 VanDerWaalsContact O-N 3.11Å; L147-E149 VanDerWaalsContact C-N 3.33Å; L147-E149 PolarHBondContact O-N 3.42Å; E149-Q152 PolarHBondContact O-N 2.76Å; E149-M153 WeakPolarHBondContact O-CB 3.16Å; E149-M153 PolarHBondContact O-N 2.92Å; E149-K384 IonicContact OE2-NZ 3.11Å
150	S	98.5	Very high	97.2	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.028	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-40.1	179	-57.9	0	0	0	0	111.6	A146 L147 K148 M153 S154 F387	A146-S150 PolarHBondContact O-N 3.34Å; A146-S150 PolarHBondContact O-OG 3.37Å; L147-S150 WeakPolarHBondContact O-CA 3.35Å; L147-S150 WeakPolarHBondContact O-CB 3.3Å; L147-S150 PolarHBondContact O-N 3.32Å; K148-S150 VanDerWaalsContact C-N 3.31Å; K148-S150 PolarHBondContact O-N 3.16Å; S150-M153 PolarHBondContact O-N 3.29Å; S150-S154 PolarHBondContact O-N 3.01Å; S150-F387 WeakPolarHBondContact O-CE1 3.44Å
151	L	98.4	Very high	97	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-46.9	177.1	-63.9	-177.9	0	0	0	111.6	Y133 V135 L147 K148 M153 S154 L155 L245 F290 F387	Y133-L151 HydrophobicContact CD1-CD2 3.6Å; Y133-L151 HydrophobicContact CE1-CD2 3.78Å; V135-L151 HydrophobicContact CG1-CD1 4.36Å; V135-L151 HydrophobicContact CG2-CD1 3.62Å; L147-L151 HydrophobicContact CD1-CD1 4.34Å; L147-L151 HydrophobicContact CD1-CD2 4.17Å; L147-L151 HydrophobicContact CD1-CG 4.03Å; L147-L151 HydrophobicContact CG-CD1 4.17Å; L147-L151 HydrophobicContact CG-CG 4.28Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 3.17Å; K148-L151 PolarHBondContact O-N 3.43Å; L151-M153 VanDerWaalsContact C-N 3.33Å; L151-M153 PolarHBondContact O-N 2.8Å; L151-S154 PolarHBondContact O-N 2.83Å; L151-S154 VanDerWaalsContact O-N 3.16Å; L151-S154 PolarHBondContact O-OG 2.89Å; L151-L155 PolarHBondContact O-N 3.03Å; L151-L245 HydrophobicContact CB-CD1 3.98Å; L151-L245 HydrophobicContact CB-CD2 4.18Å; L151-L245 HydrophobicContact CD1-CD2 3.84Å; L151-F290 HydrophobicContact CD2-CD1 4.43Å; L151-F290 HydrophobicContact CD2-CD2 4.16Å; L151-F290 HydrophobicContact CD2-CE1 3.88Å; L151-F290 HydrophobicContact CD2-CE2 3.6Å; L151-F290 HydrophobicContact CD2-CZ 3.43Å; L151-F290 VanDerWaalsContact CD2-CZ 3.43Å; L151-F387 HydrophobicContact CD2-CE1 4.26Å; L151-F387 HydrophobicContact CD2-CZ 4.17Å
152	Q	98.1	Very high	96.9	Very high	53 Å²	53	42.1 Å²	42.1	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-43.1	175.4	-70.7	173.8	-28.6	0	0	111.4	K148 E149 S154 L155 S156 T242 L245	K148-Q152 WeakPolarHBondContact O-CG 3.36Å; K148-Q152 PolarHBondContact O-N 3.42Å; E149-Q152 PolarHBondContact O-N 2.76Å; Q152-S154 PolarHBondContact O-N 3.43Å; Q152-L155 WeakPolarHBondContact O-CB 3.24Å; Q152-L155 PolarHBondContact O-N 3.5Å; Q152-S156 PolarHBondContact O-N 3.5Å; Q152-T242 HydrophobicContact CG-CG2 4.08Å; Q152-T242 PolarHBondContact NE2-O 2.77Å; Q152-L245 HydrophobicContact CG-CB 3.92Å; Q152-L245 HydrophobicContact CG-CD1 4.15Å
153	M	97.4	Very high	96.9	Very high	52 Å²	52	35.2 Å²	35.2	26%	0.256	19%	0.194	S	C	.	.	H	α-helix	trans	-58.7	-47.3	173.6	173.9	-87.1	-65	0	0	111.2	E149 S150 L151 L155 S156 L157 F387 Q388	E149-M153 WeakPolarHBondContact O-CB 3.16Å; E149-M153 PolarHBondContact O-N 2.92Å; S150-M153 PolarHBondContact O-N 3.29Å; L151-M153 VanDerWaalsContact C-N 3.33Å; L151-M153 PolarHBondContact O-N 2.8Å; M153-L155 VanDerWaalsContact C-N 3.31Å; M153-L155 PolarHBondContact O-N 3.17Å; M153-S156 WeakPolarHBondContact O-CB 3.03Å; M153-S156 PolarHBondContact O-N 3.26Å; M153-S156 PolarHBondContact O-OG 2.92Å; M153-L157 HydrophobicContact SD-CD1 3.76Å; M153-F387 HydrophobicContact CE-CD1 4.3Å; M153-Q388 HydrophobicContact CE-CB 3.8Å; M153-Q388 HydrophobicContact CE-CG 4.2Å; M153-Q388 HydrophobicContact SD-CB 4.2Å; M153-Q388 HydrophobicContact SD-CG 3.95Å
154	S	97.4	Very high	96.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-37.7	178.9	71.3	0	0	0	0	112.9	Y133 S150 L151 Q152 S156 L157 L158 F391	Y133-S154 WeakPolarHBondContact CE1-OG 3.39Å; Y133-S154 PolarHBondContact OH-OG 2.94Å; S150-S154 PolarHBondContact O-N 3.01Å; L151-S154 PolarHBondContact O-N 2.83Å; L151-S154 VanDerWaalsContact O-N 3.16Å; L151-S154 PolarHBondContact O-OG 2.89Å; Q152-S154 PolarHBondContact O-N 3.43Å; S154-S156 VanDerWaalsContact C-N 3.27Å; S154-S156 PolarHBondContact O-N 3.45Å; S154-L157 WeakPolarHBondContact O-CB 3.43Å; S154-L157 PolarHBondContact O-N 2.84Å; S154-L158 WeakPolarHBondContact O-CG 3Å; S154-L158 PolarHBondContact O-N 3.34Å; S154-F391 VanDerWaalsContact CB-CE2 3.45Å
155	L	96.8	Very high	96.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-39.6	177.6	-179.4	60.7	0	0	0	111.3	L151 Q152 M153 L157 L158 V164 V234 L241 L245	L151-L155 PolarHBondContact O-N 3.03Å; Q152-L155 WeakPolarHBondContact O-CB 3.24Å; Q152-L155 PolarHBondContact O-N 3.5Å; M153-L155 VanDerWaalsContact C-N 3.31Å; M153-L155 PolarHBondContact O-N 3.17Å; L155-L157 PolarHBondContact O-N 3.18Å; L155-L158 HydrophobicContact CD1-CD1 4.16Å; L155-L158 PolarHBondContact O-N 2.88Å; L155-V164 HydrophobicContact CD1-CG1 4.04Å; L155-V164 HydrophobicContact CD1-CG2 4.41Å; L155-V234 HydrophobicContact CD1-CG1 4.1Å; L155-V234 HydrophobicContact CD1-CG2 4.27Å; L155-L241 HydrophobicContact CD1-CD2 3.9Å; L155-L241 HydrophobicContact CD2-CB 3.97Å; L155-L241 HydrophobicContact CD2-CD2 3.86Å; L155-L241 HydrophobicContact CD2-CG 3.89Å; L155-L245 HydrophobicContact CD2-CD1 4.48Å
156	S	96.2	Very high	96.8	Very high	93 Å²	93	29.7 Å²	29.7	65%	0.65	17%	0.167	S	C	*	.	H	α-helix	trans	-65.7	-19.6	177.3	80.2	0	0	0	0	114.1	Q152 M153 S154	Q152-S156 PolarHBondContact O-N 3.5Å; M153-S156 WeakPolarHBondContact O-CB 3.03Å; M153-S156 PolarHBondContact O-N 3.26Å; M153-S156 PolarHBondContact O-OG 2.92Å; S154-S156 VanDerWaalsContact C-N 3.27Å; S154-S156 PolarHBondContact O-N 3.45Å
157	L	96.3	Very high	96.9	Very high	47 Å²	47	29.6 Å²	29.6	25%	0.246	17%	0.166	C	C	.	.	H	α-helix	trans	-89.6	-20.1	-179.4	-60.7	176.7	0	0	0	112.7	M153 S154 L155 F391 F399	M153-L157 HydrophobicContact SD-CD1 3.76Å; S154-L157 WeakPolarHBondContact O-CB 3.43Å; S154-L157 PolarHBondContact O-N 2.84Å; L155-L157 PolarHBondContact O-N 3.18Å; L157-F391 HydrophobicContact CB-CB 4.26Å; L157-F391 HydrophobicContact CD1-CB 3.8Å; L157-F391 HydrophobicContact CD1-CD2 4.48Å; L157-F391 HydrophobicContact CD1-CG 4.36Å; L157-F399 HydrophobicContact CB-CZ 4.5Å; L157-F399 WeakPolarHBondContact O-CZ 3.34Å
158	L	96	Very high	96.9	Very high	10 Å²	10	30 Å²	30	5%	0.052	17%	0.169	C	C	.	.	S	Bend	trans	-67.1	146.9	-173.7	-63.5	-175.6	0	0	0	112.4	F131 S154 L155 V164 V234 F391 F399	F131-L158 HydrophobicContact CB-CD1 4.18Å; F131-L158 HydrophobicContact CD1-CD2 4.09Å; F131-L158 HydrophobicContact CD2-CD1 4.06Å; F131-L158 HydrophobicContact CD2-CD2 3.78Å; F131-L158 HydrophobicContact CD2-CG 4.5Å; F131-L158 HydrophobicContact CE1-CD2 4.05Å; F131-L158 HydrophobicContact CE2-CD2 3.74Å; F131-L158 HydrophobicContact CG-CD1 4.15Å; F131-L158 HydrophobicContact CG-CD2 3.96Å; F131-L158 HydrophobicContact CZ-CD2 3.88Å; S154-L158 WeakPolarHBondContact O-CG 3Å; S154-L158 PolarHBondContact O-N 3.34Å; L155-L158 HydrophobicContact CD1-CD1 4.16Å; L155-L158 PolarHBondContact O-N 2.88Å; L158-V164 HydrophobicContact CD1-CG1 3.35Å; L158-V234 HydrophobicContact CB-CG2 3.92Å; L158-V234 HydrophobicContact CD1-CG2 4.08Å; L158-F391 HydrophobicContact CD2-CD1 3.97Å; L158-F391 HydrophobicContact CD2-CE1 3.71Å; L158-F399 HydrophobicContact CD2-CE2 4.07Å; L158-F399 HydrophobicContact CD2-CZ 4.14Å
159	P	94.3	Very high	96.9	Very high	43 Å²	43	29.2 Å²	29.2	28%	0.279	17%	0.165	S	C	.	.			trans	-58.2	140.1	173.1	-25.7	33.2	0	0	0	111.1	L129 N161 A162 F399	L129-P159 HydrophobicContact CD1-CG 4.46Å; P159-N161 PolarHBondContact O-N 3.5Å; P159-A162 HydrophobicContact CB-CB 4.28Å; P159-A162 VanDerWaalsContact O-CB 3.29Å; P159-A162 WeakPolarHBondContact O-CB 3.45Å; P159-A162 PolarHBondContact O-N 3.01Å; P159-F399 HydrophobicContact CG-CD2 4.36Å; P159-F399 HydrophobicContact CG-CE2 3.99Å
160	P	92.9	Very high	96.9	Very high	84 Å²	84	25.1 Å²	25.1	55%	0.545	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.5	-178.1	-30	35.7	0	0	0	114.1	V234 H235	P160-V234 PolarHBondContact O-N 2.88Å; P160-H235 HydrophobicContact CB-CB 4.11Å; P160-H235 PolarHBondContact O-N 3.12Å; P160-H235 VanDerWaalsContact O-N 3.15Å; P160-H235 PolarHBondContact O-ND1 2.56Å
161	N	92.4	Very high	96.9	Very high	119 Å²	119	28.7 Å²	28.7	64%	0.636	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.8	-178.1	-66.5	-32.6	0	0	0	114.1	P159	P159-N161 PolarHBondContact O-N 3.5Å
162	A	95.2	Very high	96.9	Very high	2 Å²	2	31 Å²	31	2%	0.017	17%	0.171	C	C	.	.	S	Bend	trans	-66.2	146.4	172.2	0	0	0	0	0	109.7	L129 F131 P159 P233 V234	L129-A162 HydrophobicContact CB-CB 4.2Å; L129-A162 CarbonylContact O-C 3.47Å; L129-A162 WeakPolarHBondContact O-CA 3.49Å; F131-A162 HydrophobicContact CD2-CB 4.15Å; F131-A162 HydrophobicContact CE2-CB 4.15Å; P159-A162 HydrophobicContact CB-CB 4.28Å; P159-A162 VanDerWaalsContact O-CB 3.29Å; P159-A162 WeakPolarHBondContact O-CB 3.45Å; P159-A162 PolarHBondContact O-N 3.01Å; A162-P233 CarbonylContact O-C 3.51Å; A162-P233 VanDerWaalsContact O-CA 3.28Å; A162-P233 WeakPolarHBondContact O-CA 3.36Å; A162-V234 HydrophobicContact CB-CG2 4.33Å; A162-V234 WeakPolarHBondContact O-CG2 3.38Å; A162-V234 PolarHBondContact O-N 3.19Å
163	L	96.4	Very high	96.9	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.5	173.5	-58	-179	0	0	0	109.7	P128 L129 I130 F131 A225 L231 Q232 P233 F280	P128-L163 HydrophobicContact CB-CD1 4.4Å; P128-L163 HydrophobicContact CB-CG 4.06Å; P128-L163 HydrophobicContact CG-CD1 3.71Å; P128-L163 HydrophobicContact CG-CG 3.92Å; L129-L163 PolarHBondContact O-N 3.48Å; I130-L163 CarbonylContact C-O 3.12Å; I130-L163 WeakPolarHBondContact CA-O 3.23Å; I130-L163 HydrophobicContact CD1-CD1 4.45Å; I130-L163 HydrophobicContact CG1-CB 4.23Å; I130-L163 HydrophobicContact CG1-CD1 4.27Å; I130-L163 HydrophobicContact CG2-CB 4.35Å; F131-L163 PolarHBondContact N-O 2.98Å; L163-A225 HydrophobicContact CD1-CB 4.36Å; L163-L231 HydrophobicContact CB-CB 4.39Å; L163-Q232 CarbonylContact C-O 3.57Å; L163-Q232 WeakPolarHBondContact CA-O 3.21Å; L163-P233 HydrophobicContact CD2-CB 4.39Å; L163-P233 HydrophobicContact CD2-CG 3.82Å; L163-F280 HydrophobicContact CD1-CE1 3.81Å; L163-F280 HydrophobicContact CD1-CE2 3.69Å; L163-F280 HydrophobicContact CD1-CZ 3.24Å
164	V	97.6	Very high	96.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.6	175.6	-71.5	0	0	0	0	111.3	F131 Y133 L155 L158 L178 L231 Q232 V234 V237 L241	F131-V164 HydrophobicContact CB-CG1 4.35Å; F131-V164 VanDerWaalsContact O-CA 3.3Å; F131-V164 WeakPolarHBondContact O-CA 3.17Å; Y133-V164 HydrophobicContact CE2-CG1 4.46Å; L155-V164 HydrophobicContact CD1-CG1 4.04Å; L155-V164 HydrophobicContact CD1-CG2 4.41Å; L158-V164 HydrophobicContact CD1-CG1 3.35Å; V164-L178 WeakPolarHBondContact O-CD1 3.29Å; V164-L231 WeakPolarHBondContact O-CA 3.49Å; V164-Q232 WeakPolarHBondContact CG2-O 3.39Å; V164-Q232 PolarHBondContact N-O 3.23Å; V164-Q232 PolarHBondContact O-N 2.82Å; V164-V234 HydrophobicContact CB-CG2 4.39Å; V164-V234 HydrophobicContact CG1-CG2 3.48Å; V164-V234 VanDerWaalsContact CG1-CG2 3.48Å; V164-V234 HydrophobicContact CG2-CG2 4.04Å; V164-V237 HydrophobicContact CG2-CG2 3.8Å; V164-L241 HydrophobicContact CB-CD2 4.06Å; V164-L241 HydrophobicContact CG2-CD2 3.73Å
165	G	97.7	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.3	172.4	0	0	0	0	0	111.6	F131 Y133 F230	F131-G165 PolarHBondContact O-N 2.94Å; Y133-G165 PolarHBondContact N-O 3.41Å; G165-F230 WeakPolarHBondContact CA-O 3.46Å
166	L	98.6	Very high	97	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130	179.6	179.3	66.4	0	0	0	111.4	V135 T168 H176 L241 L244 L245	V135-L166 HydrophobicContact CG2-CD1 3.87Å; L166-T168 HydrophobicContact CD1-CG2 4.1Å; L166-T168 HydrophobicContact CD2-CG2 4.17Å; L166-T168 HydrophobicContact CG-CG2 4.09Å; L166-H176 HydrophobicContact CB-CB 4.38Å; L166-H176 PolarHBondContact O-N 3.36Å; L166-H176 VanDerWaalsContact O-N 3.09Å; L166-L241 HydrophobicContact CB-CD1 4.14Å; L166-L241 HydrophobicContact CD2-CD1 4.11Å; L166-L244 HydrophobicContact CD2-CD2 3.2Å; L166-L244 HydrophobicContact CD2-CG 4.46Å; L166-L245 HydrophobicContact CD1-CD2 4.22Å; L166-L245 HydrophobicContact CD2-CD2 4.27Å
167	I	98.8	Very high	96.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.9	166.7	-64.3	175.4	0	0	0	106.9	L132 Y133 V134 V135 V173 Q174 V175 V271 A272 L275	L132-I167 HydrophobicContact CD1-CD1 4.23Å; L132-I167 HydrophobicContact CD1-CG1 4.16Å; L132-I167 HydrophobicContact CD2-CD1 4.11Å; L132-I167 HydrophobicContact CG-CD1 4.48Å; Y133-I167 PolarHBondContact O-N 3.38Å; V134-I167 CarbonylContact C-O 3.51Å; V134-I167 VanDerWaalsContact CA-O 3.29Å; V134-I167 WeakPolarHBondContact CA-O 3.47Å; V134-I167 HydrophobicContact CG1-CB 4.41Å; V134-I167 HydrophobicContact CG1-CG2 4.24Å; V134-I167 HydrophobicContact CG2-CB 4.36Å; V135-I167 PolarHBondContact N-O 3.02Å; I167-V173 HydrophobicContact CG2-CG1 3.77Å; I167-Q174 CarbonylContact C-O 3.24Å; I167-Q174 VanDerWaalsContact CA-O 3.27Å; I167-Q174 WeakPolarHBondContact CA-O 3.34Å; I167-V175 HydrophobicContact CD1-CG2 4.32Å; I167-V175 HydrophobicContact CG1-CG1 4.35Å; I167-V175 HydrophobicContact CG1-CG2 4.16Å; I167-V271 HydrophobicContact CD1-CG1 4.32Å; I167-A272 HydrophobicContact CD1-CB 3.74Å; I167-L275 HydrophobicContact CD1-CD2 4.4Å
168	T	98.8	Very high	96.6	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.043	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.5	171.5	58.1	0	0	0	0	109.2	V135 L166 Q174 H176 L248	V135-T168 HydrophobicContact CB-CG2 4.41Å; V135-T168 CarbonylContact O-C 3.57Å; V135-T168 VanDerWaalsContact O-CA 3.3Å; V135-T168 WeakPolarHBondContact O-CA 3.49Å; L166-T168 HydrophobicContact CD1-CG2 4.1Å; L166-T168 HydrophobicContact CD2-CG2 4.17Å; L166-T168 HydrophobicContact CG-CG2 4.09Å; T168-Q174 PolarHBondContact N-O 2.98Å; T168-Q174 PolarHBondContact O-N 2.8Å; T168-H176 WeakPolarHBondContact CG2-NE2 3.46Å; T168-H176 PolarHBondContact OG1-NE2 2.81Å; T168-L248 HydrophobicContact CG2-CD1 4.19Å; T168-L248 HydrophobicContact CG2-CD2 3.68Å
169	F	98.8	Very high	96	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	156.9	178.7	73.4	-80.2	0	0	0	113.2	V134 V135 D136 T137 M172 V173 R263 T265 A268 L289 I291	V134-F169 HydrophobicContact CG1-CD1 4.03Å; V134-F169 HydrophobicContact CG1-CE1 3.97Å; V135-F169 VanDerWaalsContact O-CD1 3.25Å; V135-F169 WeakPolarHBondContact O-CD1 3.48Å; V135-F169 PolarHBondContact O-N 3.22Å; D136-F169 CarbonylContact C-O 3.6Å; D136-F169 WeakPolarHBondContact CA-O 3.29Å; D136-F169 HydrophobicContact CB-CE1 3.94Å; D136-F169 HydrophobicContact CB-CE2 4.18Å; D136-F169 HydrophobicContact CB-CZ 3.69Å; D136-F169 VanDerWaalsContact N-CE1 3.34Å; T137-F169 PolarHBondContact N-O 3.06Å; T137-F169 PolarHBondContact OG1-O 3.03Å; F169-M172 CarbonylContact C-O 3.58Å; F169-M172 VanDerWaalsContact CA-O 3.24Å; F169-M172 WeakPolarHBondContact CA-O 3.46Å; F169-V173 HydrophobicContact CB-CB 4.45Å; F169-V173 HydrophobicContact CB-CG2 4.08Å; F169-R263 HydrophobicContact CD2-CG 4.49Å; F169-R263 HydrophobicContact CE2-CG 3.83Å; F169-T265 HydrophobicContact CE2-CG2 4.37Å; F169-T265 HydrophobicContact CZ-CG2 4.12Å; F169-A268 HydrophobicContact CB-CB 3.87Å; F169-A268 HydrophobicContact CD1-CB 3.67Å; F169-A268 HydrophobicContact CD2-CB 4.01Å; F169-A268 HydrophobicContact CE1-CB 4.17Å; F169-A268 HydrophobicContact CE2-CB 4.46Å; F169-A268 HydrophobicContact CG-CB 3.57Å; F169-L289 HydrophobicContact CE1-CD1 3.89Å; F169-L289 HydrophobicContact CZ-CD1 4.04Å; F169-I291 HydrophobicContact CZ-CG2 3.9Å
170	G	98.4	Very high	95.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	-152.3	-110.5	169.7	0	0	0	0	0	106.8	C138 M172 L262 S264	C138-G170 WeakPolarHBondContact SG-CA 3.4Å; G170-M172 VanDerWaalsContact C-N 3.32Å; G170-M172 PolarHBondContact N-O 2.88Å; G170-L262 CarbonylContact C-O 3.6Å; G170-S264 PolarHBondContact O-N 3.39Å
171	R	98.1	Very high	94.5	Very high	79 Å²	79	30.4 Å²	30.4	30%	0.298	15%	0.151	S	C	.	.	S	Bend	trans	-69.2	-32.3	167.1	-175.2	179.8	179.1	170.3	2.9	112.8	D251 W253 L262 Q297	R171-D251 PolarHBondContact N-OD1 3.16Å; R171-D251 PolarHBondContact N-OD2 3.18Å; R171-W253 HydrophobicContact CB-CG 4.16Å; R171-W253 VanDerWaalsContact NH1-CZ3 3.34Å; R171-L262 WeakPolarHBondContact CA-O 3.47Å; R171-L262 HydrophobicContact CB-CB 4.22Å; R171-L262 HydrophobicContact CG-CB 4.13Å; R171-L262 HydrophobicContact CG-CD1 4.22Å; R171-L262 PolarHBondContact N-O 3.35Å; R171-L262 VanDerWaalsContact N-O 3.09Å; R171-Q297 PolarHBondContact O-OE1 2.66Å
172	M	98.1	Very high	93.9	Very high	49 Å²	49	29.3 Å²	29.3	24%	0.241	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	159.2	176.4	-56	-61.8	179.6	0	0	109.6	F169 G170 V188 W253	F169-M172 CarbonylContact C-O 3.58Å; F169-M172 VanDerWaalsContact CA-O 3.24Å; F169-M172 WeakPolarHBondContact CA-O 3.46Å; G170-M172 VanDerWaalsContact C-N 3.32Å; G170-M172 PolarHBondContact N-O 2.88Å; M172-V188 HydrophobicContact CB-CG1 3.78Å; M172-V188 HydrophobicContact CG-CG1 4.22Å; M172-W253 HydrophobicContact CE-CZ2 4.04Å
173	V	98.6	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.8	174.6	179.5	0	0	0	0	108.2	I167 F169 V188 F189 V267 A268 V271	I167-V173 HydrophobicContact CG2-CG1 3.77Å; F169-V173 HydrophobicContact CB-CB 4.45Å; F169-V173 HydrophobicContact CB-CG2 4.08Å; V173-V188 CarbonylContact O-C 3.54Å; V173-V188 WeakPolarHBondContact O-CA 3.32Å; V173-F189 HydrophobicContact CB-CB 4.3Å; V173-F189 PolarHBondContact N-O 3.23Å; V173-F189 PolarHBondContact O-N 2.87Å; V173-V267 HydrophobicContact CG2-CB 4.18Å; V173-V267 HydrophobicContact CG2-CG1 4.01Å; V173-A268 HydrophobicContact CG1-CB 4.18Å; V173-A268 HydrophobicContact CG2-CB 3.96Å; V173-V271 HydrophobicContact CG1-CB 4.34Å; V173-V271 HydrophobicContact CG1-CG1 4.48Å; V173-V271 HydrophobicContact CG1-CG2 4.36Å
174	Q	98.4	Very high	93	Very high	63 Å²	63	37.8 Å²	37.8	29%	0.294	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.5	-179.2	-52.4	-171.1	19	0	0	110.3	I167 T168 S186 Y187 V188	I167-Q174 CarbonylContact C-O 3.24Å; I167-Q174 VanDerWaalsContact CA-O 3.27Å; I167-Q174 WeakPolarHBondContact CA-O 3.34Å; T168-Q174 PolarHBondContact N-O 2.98Å; T168-Q174 PolarHBondContact O-N 2.8Å; Q174-S186 PolarHBondContact OE1-OG 3.2Å; Q174-Y187 CarbonylContact C-O 3.59Å; Q174-Y187 WeakPolarHBondContact CA-O 3.24Å; Q174-V188 HydrophobicContact CG-CG2 4.25Å
175	V	97.9	Very high	92.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.3	173	-175.1	0	0	0	0	108.3	I167 S186 Y187 F189 L204 F230 V271 L275	I167-V175 HydrophobicContact CD1-CG2 4.32Å; I167-V175 HydrophobicContact CG1-CG1 4.35Å; I167-V175 HydrophobicContact CG1-CG2 4.16Å; V175-S186 CarbonylContact O-C 3.58Å; V175-S186 VanDerWaalsContact O-CA 3.25Å; V175-S186 WeakPolarHBondContact O-CA 3.41Å; V175-Y187 PolarHBondContact N-O 3.41Å; V175-Y187 PolarHBondContact O-N 3.25Å; V175-F189 HydrophobicContact CB-CE2 4.45Å; V175-F189 HydrophobicContact CG2-CD2 4.12Å; V175-F189 HydrophobicContact CG2-CE2 3.67Å; V175-L204 HydrophobicContact CB-CD2 4.41Å; V175-L204 HydrophobicContact CG1-CD2 4.41Å; V175-F230 HydrophobicContact CG1-CB 4.46Å; V175-F230 HydrophobicContact CG1-CD1 3.72Å; V175-F230 HydrophobicContact CG1-CE1 4.24Å; V175-F230 HydrophobicContact CG1-CG 4.17Å; V175-V271 HydrophobicContact CG2-CG1 3.44Å; V175-V271 VanDerWaalsContact CG2-CG1 3.44Å; V175-L275 HydrophobicContact CG1-CD2 4.3Å
176	H	96.9	Very high	92.7	Very high	16 Å²	16	44.7 Å²	44.7	7%	0.074	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.6	-174.1	-66.9	-92.9	0	0	0	111.7	L166 T168 L178 L244	L166-H176 HydrophobicContact CB-CB 4.38Å; L166-H176 PolarHBondContact O-N 3.36Å; L166-H176 VanDerWaalsContact O-N 3.09Å; T168-H176 WeakPolarHBondContact CG2-NE2 3.46Å; T168-H176 PolarHBondContact OG1-NE2 2.81Å; H176-L178 HydrophobicContact CB-CD2 4.35Å; H176-L244 HydrophobicContact CB-CD1 4.45Å
177	E	94.6	Very high	92.6	Very high	20 Å²	20	48 Å²	48	9%	0.093	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.2	173.6	-174.4	174.5	161.4	0	0	109.3	T179 K185 R229 F230	E177-T179 PolarHBondContact OE1-OG1 3.07Å; E177-K185 HydrophobicContact CB-CB 4.35Å; E177-K185 PolarHBondContact N-O 2.99Å; E177-R229 HydrophobicContact CG-CB 3.93Å; E177-R229 WeakPolarHBondContact OE1-CD 3.44Å; E177-R229 IonicContact OE1-CZ 3.3Å; E177-R229 IonicContact OE1-NE 3.63Å; E177-R229 IonicContact OE1-NH1 3.69Å; E177-R229 PolarHBondContact OE1-NH1 2.89Å; E177-R229 IonicContact OE2-NH1 3.38Å; E177-F230 HydrophobicContact CB-CD1 4.48Å; E177-F230 HydrophobicContact CB-CE1 4.4Å
178	L	89.5	Confident	92.5	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.063	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.5	-171.1	-57.7	-176.7	0	0	0	113.8	V164 H176 C180 R229 Q232 V237 L241 L244	V164-L178 WeakPolarHBondContact O-CD1 3.29Å; H176-L178 HydrophobicContact CB-CD2 4.35Å; L178-C180 VanDerWaalsContact C-N 3.33Å; L178-R229 PolarHBondContact N-O 2.84Å; L178-Q232 HydrophobicContact CB-CB 4.4Å; L178-Q232 HydrophobicContact CB-CG 4.07Å; L178-V237 HydrophobicContact CB-CG1 4.23Å; L178-V237 HydrophobicContact CD1-CG2 4.29Å; L178-L241 HydrophobicContact CD2-CD1 4.05Å; L178-L244 HydrophobicContact CD2-CD1 4.4Å
179	T	83.2	Confident	92.5	Very high	60 Å²	60	52.7 Å²	52.7	37%	0.368	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.6	-178.3	50.5	0	0	0	0	114.4	E177 R229 Q232	E177-T179 PolarHBondContact OE1-OG1 3.07Å; T179-R229 HydrophobicContact CG2-CB 4.41Å; T179-Q232 HydrophobicContact CG2-CG 3.63Å
180	C	78.9	Confident	92.4	Very high	22 Å²	22	60.4 Å²	60.4	15%	0.149	33%	0.328	C	S	.	.			trans	-86.7	128.8	-176.3	-66.1	0	0	0	0	111.5	L178 I183	L178-C180 VanDerWaalsContact C-N 3.33Å; C180-I183 HydrophobicContact CB-CG2 4.32Å; C180-I183 WeakPolarHBondContact CB-O 3.14Å
181	E	78.5	Confident	92.2	Very high	179 Å²	179	60.4 Å²	60.4	84%	0.836	33%	0.328	S	S	*	.	S	Bend	trans	-98.3	137.2	171.5	-66.3	-179.4	-177	0	0	110.3	I183	E181-I183 PolarHBondContact O-N 3.15Å; E181-I183 VanDerWaalsContact O-N 3.11Å
182	G	79.8	Confident	92.1	Very high	96 Å²	96	60.2 Å²	60.2	99%	0.99	34%	0.336	S	S	*	.	S	Bend	trans	72.3	-5	176.9	0	0	0	0	0	116.2
183	I	86.5	Confident	91.8	Very high	101 Å²	101	63.7 Å²	63.7	52%	0.518	35%	0.35	S	S	.	.	S	Bend	trans	-148.7	130.8	174.2	-172.1	169.4	0	0	0	110.8	C180 E181 K185	C180-I183 HydrophobicContact CB-CG2 4.32Å; C180-I183 WeakPolarHBondContact CB-O 3.14Å; E181-I183 PolarHBondContact O-N 3.15Å; E181-I183 VanDerWaalsContact O-N 3.11Å; I183-K185 HydrophobicContact CG1-CG 4.46Å; I183-K185 HydrophobicContact CG2-CG 4.31Å
184	A	86.1	Confident	91.2	Very high	83 Å²	83	67.9 Å²	67.9	69%	0.686	37%	0.372	S	S	*	.			trans	-85.8	112.8	171.4	0	0	0	0	0	109.9
185	K	92.6	Very high	90.7	Very high	101 Å²	101	66 Å²	66	44%	0.439	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.7	176	-65.1	-175.6	-169.5	164.5	0	110.7	E177 I183	E177-K185 HydrophobicContact CB-CB 4.35Å; E177-K185 PolarHBondContact N-O 2.99Å; I183-K185 HydrophobicContact CG1-CG 4.46Å; I183-K185 HydrophobicContact CG2-CG 4.31Å
186	S	94.8	Very high	90.4	Very high	44 Å²	44	68.6 Å²	68.6	31%	0.308	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148	171.1	70.5	0	0	0	0	111.9	Q174 V175	Q174-S186 PolarHBondContact OE1-OG 3.2Å; V175-S186 CarbonylContact O-C 3.58Å; V175-S186 VanDerWaalsContact O-CA 3.25Å; V175-S186 WeakPolarHBondContact O-CA 3.41Å
187	Y	96.6	Very high	90.1	Very high	73 Å²	73	68.8 Å²	68.8	29%	0.286	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.8	175	-75.3	-106.8	0	0	0	109.3	Q174 V175 L204 R229 F230	Q174-Y187 CarbonylContact C-O 3.59Å; Q174-Y187 WeakPolarHBondContact CA-O 3.24Å; V175-Y187 PolarHBondContact N-O 3.41Å; V175-Y187 PolarHBondContact O-N 3.25Å; Y187-L204 HydrophobicContact CD1-CD2 4.1Å; Y187-L204 HydrophobicContact CD2-CD2 4.42Å; Y187-L204 HydrophobicContact CG-CD2 3.92Å; Y187-R229 PolarHBondContact OH-NH2 3.05Å; Y187-R229 VanDerWaalsContact OH-NH2 3.16Å; Y187-F230 AromaticContact CD2-CE1 3.66Å; Y187-F230 HydrophobicContact CD2-CE1 3.66Å; Y187-F230 HydrophobicContact CD2-CZ 4.1Å; Y187-F230 AromaticContact CE2-CE1 3.7Å; Y187-F230 HydrophobicContact CE2-CE1 3.7Å; Y187-F230 AromaticContact CE2-CZ 3.86Å; Y187-F230 HydrophobicContact CE2-CZ 3.86Å
188	V	97.8	Very high	89.9	Confident	90 Å²	90	74.3 Å²	74.3	55%	0.545	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.7	-173.3	-171.9	0	0	0	0	111.4	M172 V173 Q174	M172-V188 HydrophobicContact CB-CG1 3.78Å; M172-V188 HydrophobicContact CG-CG1 4.22Å; V173-V188 CarbonylContact O-C 3.54Å; V173-V188 WeakPolarHBondContact O-CA 3.32Å; Q174-V188 HydrophobicContact CG-CG2 4.25Å
189	F	97.5	Very high	90.1	Very high	14 Å²	14	77.7 Å²	77.7	6%	0.061	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.2	174.3	-59.5	-93.8	0	0	0	110.5	V173 V175 G191 L195 M203 L204 V271	V173-F189 HydrophobicContact CB-CB 4.3Å; V173-F189 PolarHBondContact N-O 3.23Å; V173-F189 PolarHBondContact O-N 2.87Å; V175-F189 HydrophobicContact CB-CE2 4.45Å; V175-F189 HydrophobicContact CG2-CD2 4.12Å; V175-F189 HydrophobicContact CG2-CE2 3.67Å; F189-G191 PolarHBondContact O-N 3.25Å; F189-L195 HydrophobicContact CB-CD1 4.4Å; F189-L195 HydrophobicContact CD1-CD1 3.37Å; F189-L195 HydrophobicContact CE1-CD1 4Å; F189-L195 HydrophobicContact CG-CD1 4.25Å; F189-M203 HydrophobicContact CD1-SD 4.21Å; F189-M203 HydrophobicContact CE1-CB 4.06Å; F189-M203 HydrophobicContact CE1-SD 3.73Å; F189-M203 HydrophobicContact CZ-CB 4.37Å; F189-L204 HydrophobicContact CE2-CD2 3.97Å; F189-L204 HydrophobicContact CZ-CD2 3.74Å; F189-L204 HydrophobicContact CZ-CG 4.03Å; F189-V271 HydrophobicContact CD2-CG1 4.36Å; F189-V271 HydrophobicContact CD2-CG2 4.43Å; F189-V271 HydrophobicContact CE2-CG1 4.25Å; F189-V271 HydrophobicContact CG-CG2 4.32Å
190	R	97.1	Very high	90.5	Very high	164 Å²	164	74.8 Å²	74.8	62%	0.619	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.7	175	-67.5	-173.7	-175.9	-173.9	2.4	110.1	T192 K193	R190-T192 PolarHBondContact O-N 3.1Å; R190-K193 PolarHBondContact O-N 3.29Å
191	G	95.5	Very high	91.1	Very high	1 Å²	1	75.4 Å²	75.4	1%	0.01	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-0.8	178.2	0	0	0	0	0	116.1	F189 S264 V267 G298	F189-G191 PolarHBondContact O-N 3.25Å; G191-S264 VanDerWaalsContact CA-CB 3.42Å; G191-S264 WeakPolarHBondContact CA-OG 3.43Å; G191-S264 WeakPolarHBondContact O-CB 3.27Å; G191-S264 PolarHBondContact O-OG 3.47Å; G191-V267 VanDerWaalsContact O-CG2 3.31Å; G191-V267 WeakPolarHBondContact O-CG2 3.46Å; G191-G298 WeakPolarHBondContact O-CA 3.49Å
192	T	95.2	Very high	91.7	Very high	76 Å²	76	71.8 Å²	71.8	47%	0.466	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-16.3	-178.9	60.8	0	0	0	0	114.2	R190 Q297	R190-T192 PolarHBondContact O-N 3.1Å; T192-Q297 VanDerWaalsContact CG2-CD 3.47Å; T192-Q297 HydrophobicContact CG2-CG 3.8Å
193	K	91.1	Very high	92.2	Very high	122 Å²	122	72 Å²	72	53%	0.53	37%	0.367	S	S	.	.	S	Bend	trans	-109.7	134.3	-173.6	-69.5	-172.3	176.3	-173.5	0	109.8	R190	R190-K193 PolarHBondContact O-N 3.29Å
194	D	86.5	Confident	92.4	Very high	88 Å²	88	67.3 Å²	67.3	47%	0.471	34%	0.343	S	S	.	.			trans	-76.5	140.2	166.6	-156.1	18	0	0	0	109.5	P299 Y331	D194-P299 HydrophobicContact CB-CB 4.48Å; D194-P299 HydrophobicContact CB-CG 3.62Å; D194-Y331 WeakPolarHBondContact OD1-CE2 3.25Å; D194-Y331 PolarHBondContact OD1-OH 2.98Å; D194-Y331 WeakPolarHBondContact OD2-CE2 3.28Å
195	L	88.9	Confident	92.5	Very high	22 Å²	22	66 Å²	66	12%	0.115	34%	0.337	C	S	.	.			trans	-126.1	134.3	179.2	-64	171.1	0	0	0	108.6	F189 I200 M203 S270	F189-L195 HydrophobicContact CB-CD1 4.4Å; F189-L195 HydrophobicContact CD1-CD1 3.37Å; F189-L195 HydrophobicContact CE1-CD1 4Å; F189-L195 HydrophobicContact CG-CD1 4.25Å; L195-I200 HydrophobicContact CB-CD1 3.99Å; L195-I200 HydrophobicContact CB-CG1 3.74Å; L195-I200 HydrophobicContact CD1-CG1 4.35Å; L195-M203 HydrophobicContact CD2-CE 4.31Å; L195-S270 PolarHBondContact O-OG 2.86Å
196	S	91.8	Very high	92	Very high	56 Å²	56	63.1 Å²	63.1	39%	0.392	33%	0.327	S	S	.	.			trans	-72.2	155	172.7	65.1	0	0	0	0	110.8	K198 Q199 I200	S196-K198 VanDerWaalsContact C-N 3.25Å; S196-K198 PolarHBondContact O-N 2.97Å; S196-Q199 PolarHBondContact O-N 3.12Å; S196-Q199 VanDerWaalsContact OG-CD 3.29Å; S196-Q199 VanDerWaalsContact OG-CG 3.28Å; S196-Q199 WeakPolarHBondContact OG-CG 3.24Å; S196-Q199 PolarHBondContact OG-N 2.99Å; S196-Q199 PolarHBondContact OG-OE1 3.24Å; S196-I200 WeakPolarHBondContact O-CG1 3.17Å; S196-I200 PolarHBondContact O-N 3.28Å
197	S	89.2	Confident	90.7	Very high	21 Å²	21	63.9 Å²	63.9	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-50.8	-45.7	176.3	-167.2	0	0	0	0	112.3	Q199 I200 Q201 E277	S197-Q199 PolarHBondContact O-N 3.36Å; S197-I200 PolarHBondContact O-N 2.67Å; S197-Q201 WeakPolarHBondContact O-CG 3.31Å; S197-Q201 PolarHBondContact O-N 3.28Å; S197-Q201 PolarHBondContact OG-NE2 3.47Å; S197-E277 WeakPolarHBondContact CB-OE2 3.41Å; S197-E277 PolarHBondContact OG-OE2 3.04Å
198	K	90.9	Very high	88.7	Confident	135 Å²	135	67.9 Å²	67.9	59%	0.587	35%	0.348	S	S	*	.	H	α-helix	trans	-60.3	-43.7	178.2	-173.9	177.4	175.5	-177.7	0	112.7	S196 Q201 E202	S196-K198 VanDerWaalsContact C-N 3.25Å; S196-K198 PolarHBondContact O-N 2.97Å; K198-Q201 PolarHBondContact O-N 2.85Å; K198-E202 WeakPolarHBondContact CE-OE1 3.26Å; K198-E202 WeakPolarHBondContact O-CB 3.34Å; K198-E202 WeakPolarHBondContact O-CG 3.32Å; K198-E202 PolarHBondContact O-N 2.88Å
199	Q	93.1	Very high	86	Confident	83 Å²	83	69.2 Å²	69.2	39%	0.388	36%	0.359	S	S	.	.	H	α-helix	trans	-64.9	-41.3	177.3	-72.8	166.4	-48.6	0	0	111.8	S196 S197 Q201 E202 M203	S196-Q199 PolarHBondContact O-N 3.12Å; S196-Q199 VanDerWaalsContact OG-CD 3.29Å; S196-Q199 VanDerWaalsContact OG-CG 3.28Å; S196-Q199 WeakPolarHBondContact OG-CG 3.24Å; S196-Q199 PolarHBondContact OG-N 2.99Å; S196-Q199 PolarHBondContact OG-OE1 3.24Å; S197-Q199 PolarHBondContact O-N 3.36Å; Q199-Q201 VanDerWaalsContact C-N 3.33Å; Q199-E202 PolarHBondContact O-N 3.02Å; Q199-M203 WeakPolarHBondContact O-CB 3.4Å; Q199-M203 VanDerWaalsContact O-CG 3.22Å; Q199-M203 WeakPolarHBondContact O-CG 3.39Å; Q199-M203 PolarHBondContact O-N 3.44Å
200	I	92.6	Very high	83.2	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-60.6	-46.8	175.6	-66.9	156.1	0	0	0	109.6	L195 S196 S197 E202 M203 L204 S270 V271	L195-I200 HydrophobicContact CB-CD1 3.99Å; L195-I200 HydrophobicContact CB-CG1 3.74Å; L195-I200 HydrophobicContact CD1-CG1 4.35Å; S196-I200 WeakPolarHBondContact O-CG1 3.17Å; S196-I200 PolarHBondContact O-N 3.28Å; S197-I200 PolarHBondContact O-N 2.67Å; I200-E202 PolarHBondContact O-N 2.79Å; I200-M203 PolarHBondContact O-N 2.7Å; I200-L204 HydrophobicContact CG2-CD1 3.7Å; I200-L204 HydrophobicContact CG2-CG 4.32Å; I200-L204 WeakPolarHBondContact O-CB 3.36Å; I200-L204 VanDerWaalsContact O-CG 3.26Å; I200-L204 WeakPolarHBondContact O-CG 3.31Å; I200-L204 PolarHBondContact O-N 3.29Å; I200-S270 WeakPolarHBondContact CD1-O 3.46Å; I200-V271 HydrophobicContact CD1-CG2 4.3Å; I200-V271 HydrophobicContact CG1-CG2 4.43Å; I200-V271 HydrophobicContact CG2-CG1 4.37Å
201	Q	90.5	Very high	80.5	Confident	35 Å²	35	69.2 Å²	69.2	16%	0.164	40%	0.396	C	S	.	.	H	α-helix	trans	-61.9	-42.5	179	-68	168.8	23.3	0	0	112.8	S197 K198 Q199 L204 G205 L206 T207 G278	S197-Q201 WeakPolarHBondContact O-CG 3.31Å; S197-Q201 PolarHBondContact O-N 3.28Å; S197-Q201 PolarHBondContact OG-NE2 3.47Å; K198-Q201 PolarHBondContact O-N 2.85Å; Q199-Q201 VanDerWaalsContact C-N 3.33Å; Q201-L204 PolarHBondContact O-N 3.44Å; Q201-G205 PolarHBondContact O-N 2.9Å; Q201-L206 HydrophobicContact CB-CB 4.22Å; Q201-L206 HydrophobicContact CG-CD1 4.41Å; Q201-L206 PolarHBondContact O-N 2.85Å; Q201-T207 HydrophobicContact CB-CG2 4.11Å; Q201-G278 VanDerWaalsContact CD-CA 3.48Å; Q201-G278 VanDerWaalsContact NE2-CA 3.32Å
202	E	91	Very high	77.7	Confident	103 Å²	103	75.9 Å²	75.9	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-64.3	-45.5	175.7	-74.1	170.1	-178.4	0	0	111.8	K198 Q199 I200 L204 G205	K198-E202 WeakPolarHBondContact CE-OE1 3.26Å; K198-E202 WeakPolarHBondContact O-CB 3.34Å; K198-E202 WeakPolarHBondContact O-CG 3.32Å; K198-E202 PolarHBondContact O-N 2.88Å; Q199-E202 PolarHBondContact O-N 3.02Å; I200-E202 PolarHBondContact O-N 2.79Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 3.34Å; E202-G205 PolarHBondContact O-N 3.25Å; E202-G205 VanDerWaalsContact O-N 3.17Å
203	M	91.5	Very high	75.3	Confident	101 Å²	101	75.9 Å²	75.9	50%	0.498	46%	0.455	S	S	.	.	H	α-helix	trans	-65.5	-33.7	178.9	-70.9	178.1	-171.1	0	0	112.8	F189 L195 Q199 I200 G205	F189-M203 HydrophobicContact CD1-SD 4.21Å; F189-M203 HydrophobicContact CE1-CB 4.06Å; F189-M203 HydrophobicContact CE1-SD 3.73Å; F189-M203 HydrophobicContact CZ-CB 4.37Å; L195-M203 HydrophobicContact CD2-CE 4.31Å; Q199-M203 WeakPolarHBondContact O-CB 3.4Å; Q199-M203 VanDerWaalsContact O-CG 3.22Å; Q199-M203 WeakPolarHBondContact O-CG 3.39Å; Q199-M203 PolarHBondContact O-N 3.44Å; I200-M203 PolarHBondContact O-N 2.7Å; M203-G205 VanDerWaalsContact C-N 3.34Å
204	L	90.1	Very high	72.9	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.005	47%	0.472	C	S	.	.	H	α-helix	trans	-84.5	-7.8	176.8	-66.4	-179.6	0	0	0	113.1	V175 Y187 F189 I200 Q201 E202 L206 F230 L275	V175-L204 HydrophobicContact CB-CD2 4.41Å; V175-L204 HydrophobicContact CG1-CD2 4.41Å; Y187-L204 HydrophobicContact CD1-CD2 4.1Å; Y187-L204 HydrophobicContact CD2-CD2 4.42Å; Y187-L204 HydrophobicContact CG-CD2 3.92Å; F189-L204 HydrophobicContact CE2-CD2 3.97Å; F189-L204 HydrophobicContact CZ-CD2 3.74Å; F189-L204 HydrophobicContact CZ-CG 4.03Å; I200-L204 HydrophobicContact CG2-CD1 3.7Å; I200-L204 HydrophobicContact CG2-CG 4.32Å; I200-L204 WeakPolarHBondContact O-CB 3.36Å; I200-L204 VanDerWaalsContact O-CG 3.26Å; I200-L204 WeakPolarHBondContact O-CG 3.31Å; I200-L204 PolarHBondContact O-N 3.29Å; Q201-L204 PolarHBondContact O-N 3.44Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 3.34Å; L204-L206 VanDerWaalsContact C-N 3.35Å; L204-L206 HydrophobicContact CB-CD1 4.06Å; L204-L206 HydrophobicContact CB-CG 3.91Å; L204-L206 HydrophobicContact CD1-CD1 4.13Å; L204-F230 HydrophobicContact CB-CE2 3.73Å; L204-F230 HydrophobicContact CB-CZ 3.96Å; L204-F230 HydrophobicContact CD1-CE2 4.48Å; L204-F230 HydrophobicContact CD2-CE1 4.08Å; L204-F230 HydrophobicContact CD2-CE2 4.19Å; L204-F230 HydrophobicContact CD2-CZ 3.71Å; L204-F230 HydrophobicContact CG-CE2 4.34Å; L204-F230 HydrophobicContact CG-CZ 4.33Å; L204-F230 WeakPolarHBondContact O-CE2 3.38Å; L204-L275 HydrophobicContact CD1-CB 4.43Å; L204-L275 HydrophobicContact CD1-CD1 4.1Å
205	G	88	Confident	70.6	Confident	55 Å²	55	84.9 Å²	84.9	57%	0.567	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	29.3	-177.9	0	0	0	0	0	113.9	Q201 E202 M203	Q201-G205 PolarHBondContact O-N 2.9Å; E202-G205 PolarHBondContact O-N 3.25Å; E202-G205 VanDerWaalsContact O-N 3.17Å; M203-G205 VanDerWaalsContact C-N 3.34Å
206	L	81.9	Confident	68.3	Low	42 Å²	42	87.3 Å²	87.3	22%	0.22	53%	0.527	C	S	.	.			trans	-82.1	-22.9	178.6	-61.8	173.9	0	0	0	112.3	Q201 L204 K208 F230 L275	Q201-L206 HydrophobicContact CB-CB 4.22Å; Q201-L206 HydrophobicContact CG-CD1 4.41Å; Q201-L206 PolarHBondContact O-N 2.85Å; L204-L206 VanDerWaalsContact C-N 3.35Å; L204-L206 HydrophobicContact CB-CD1 4.06Å; L204-L206 HydrophobicContact CB-CG 3.91Å; L204-L206 HydrophobicContact CD1-CD1 4.13Å; L206-K208 PolarHBondContact O-N 3.44Å; L206-F230 HydrophobicContact CD2-CD2 4.04Å; L206-F230 HydrophobicContact CD2-CE2 4.05Å; L206-F230 HydrophobicContact CG-CE2 4.5Å; L206-L275 HydrophobicContact CD1-CD1 3.64Å
207	T	66.9	Low	65.9	Low	60 Å²	60	96 Å²	96	37%	0.368	55%	0.551	S	S	.	*	S	Bend	trans	-82.4	112.6	175.1	32.3	0	0	0	0	110.3	Q201	Q201-T207 HydrophobicContact CB-CG2 4.11Å
208	K	55.1	Low	63.5	Low	156 Å²	156	101.1 Å²	101.1	68%	0.678	58%	0.583	S	S	*	*			trans	-66.1	130.4	166	-73.4	-176.2	179.4	176	0	108.3	L206 A210	L206-K208 PolarHBondContact O-N 3.44Å; K208-A210 PolarHBondContact O-N 2.93Å
209	P	41.9	Very low	61.4	Low	119 Å²	119	98.9 Å²	98.9	77%	0.773	58%	0.581	S	S	*	*			trans	-57.8	128.3	169.4	21.6	-28.8	0	0	0	108	A211	P209-A211 PolarHBondContact O-N 3.49Å
210	A	39.2	Very low	59.2	Low	99 Å²	99	97 Å²	97	82%	0.818	58%	0.58	S	S	*	*			trans	-58.6	104.5	174.9	0	0	0	0	0	108.2	K208	K208-A210 PolarHBondContact O-N 2.93Å
211	A	39.5	Very low	57	Low	78 Å²	78	99.5 Å²	99.5	65%	0.645	60%	0.596	S	S	*	*			trans	-62	126.4	167.2	0	0	0	0	0	107	P209 G213	P209-A211 PolarHBondContact O-N 3.49Å; A211-G213 PolarHBondContact O-N 3.45Å
212	P	37.2	Very low	54.7	Low	142 Å²	142	104.8 Å²	104.8	92%	0.922	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	101.2	178.1	26.8	-31.7	0	0	0	108.1
213	G	43.3	Very low	52.5	Low	76 Å²	76	105.6 Å²	105.6	78%	0.784	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	148.5	-8.3	173.5	0	0	0	0	0	118.5	A211	A211-G213 PolarHBondContact O-N 3.45Å
214	Q	41	Very low	50.6	Low	190 Å²	190	102 Å²	102	89%	0.888	61%	0.611	S	S	*	*			trans	-118	84.7	176.5	-77.3	-173.3	0.2	0	0	111.9
215	Q	38.2	Very low	48.7	Very low	208 Å²	208	103.1 Å²	103.1	97%	0.972	62%	0.62	S	S	*	*			trans	-78.1	126.6	160.4	-78	179.7	-9.1	0	0	109.3
216	G	41.3	Very low	46.9	Very low	74 Å²	74	104.8 Å²	104.8	76%	0.763	63%	0.628	S	S	*	*			trans	112.6	24.3	142.7	0	0	0	0	0	120.1
217	R	40.7	Very low	45.7	Very low	237 Å²	237	106.2 Å²	106.2	89%	0.894	64%	0.642	S	S	*	*			trans	-120.4	126.4	162.4	-78.1	-173.1	177.3	-179.7	-0.1	111.9	V219	R217-V219 PolarHBondContact O-N 3.16Å
218	P	40.3	Very low	46.3	Very low	129 Å²	129	103.5 Å²	103.5	84%	0.838	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-59.8	128.2	165.4	-6.6	18.4	0	0	0	108.4	A220	P218-A220 PolarHBondContact O-N 2.7Å
219	V	45	Very low	47.9	Very low	89 Å²	89	100.5 Å²	100.5	54%	0.539	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-63.8	127.6	173.5	179.1	0	0	0	0	107.8	R217 E223	R217-V219 PolarHBondContact O-N 3.16Å; V219-E223 HydrophobicContact CG1-CB 3.82Å
220	A	47.3	Very low	50.4	Low	43 Å²	43	95 Å²	95	36%	0.355	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-64.7	142.4	177.5	0	0	0	0	0	109.8	P218 Q222 E223 A224	P218-A220 PolarHBondContact O-N 2.7Å; A220-Q222 PolarHBondContact O-N 2.96Å; A220-E223 PolarHBondContact O-N 3.36Å; A220-A224 PolarHBondContact O-N 3.2Å
221	P	46.5	Very low	53	Low	53 Å²	53	90.2 Å²	90.2	34%	0.344	53%	0.534	S	S	.	.	H	α-helix	trans	-51.9	-29	179.9	-26.3	32.7	0	0	0	114.1	A224 A225	P221-A224 PolarHBondContact O-N 3.22Å; P221-A225 PolarHBondContact O-N 3.37Å; P221-A225 VanDerWaalsContact O-N 3.12Å
222	Q	43.7	Very low	55.7	Low	146 Å²	146	87.4 Å²	87.4	68%	0.682	51%	0.508	S	S	*	.	H	α-helix	trans	-70.4	-30.7	-179.8	-152.9	167.5	10.7	0	0	113.3	A220 A226	A220-Q222 PolarHBondContact O-N 2.96Å; Q222-A226 PolarHBondContact O-N 3.28Å
223	E	44.6	Very low	58.4	Low	120 Å²	120	81.6 Å²	81.6	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-79.7	-29.7	174.7	-72.6	-177.7	168.6	0	0	112.2	V219 A220	V219-E223 HydrophobicContact CG1-CB 3.82Å; A220-E223 PolarHBondContact O-N 3.36Å
224	A	50.6	Low	60.9	Low	25 Å²	25	78.4 Å²	78.4	21%	0.207	44%	0.435	C	S	.	.	H	α-helix	trans	-67.1	-44.1	172.5	0	0	0	0	0	111.1	A220 P221 A226 S227 C228 F280	A220-A224 PolarHBondContact O-N 3.2Å; P221-A224 PolarHBondContact O-N 3.22Å; A224-A226 PolarHBondContact O-N 3.28Å; A224-S227 PolarHBondContact O-N 3.44Å; A224-S227 VanDerWaalsContact O-N 3.1Å; A224-S227 PolarHBondContact O-OG 2.88Å; A224-C228 PolarHBondContact O-N 3.22Å; A224-C228 VanDerWaalsContact O-N 3.1Å; A224-F280 HydrophobicContact CB-CE1 4.42Å
225	A	50	Low	63.4	Low	25 Å²	25	73.6 Å²	73.6	21%	0.207	41%	0.413	C	S	.	.	H	α-helix	trans	-63.1	-35.4	176	0	0	0	0	0	114.1	L163 P221 S227 F280	L163-A225 HydrophobicContact CD1-CB 4.36Å; P221-A225 PolarHBondContact O-N 3.37Å; P221-A225 VanDerWaalsContact O-N 3.12Å; A225-S227 PolarHBondContact O-N 3.24Å; A225-F280 HydrophobicContact CB-CE1 3.99Å; A225-F280 HydrophobicContact CB-CZ 3.9Å
226	A	49.6	Very low	66	Low	89 Å²	89	71.6 Å²	71.6	74%	0.736	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.3	175.2	0	0	0	0	0	113.5	Q222 A224	Q222-A226 PolarHBondContact O-N 3.28Å; A224-A226 PolarHBondContact O-N 3.28Å
227	S	57.4	Low	68.4	Low	72 Å²	72	68.4 Å²	68.4	50%	0.503	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-13.1	-175.7	80.2	0	0	0	0	115.3	A224 A225 R229	A224-S227 PolarHBondContact O-N 3.44Å; A224-S227 VanDerWaalsContact O-N 3.1Å; A224-S227 PolarHBondContact O-OG 2.88Å; A225-S227 PolarHBondContact O-N 3.24Å; S227-R229 PolarHBondContact O-N 3.11Å
228	C	78.9	Confident	70.9	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.02	34%	0.337	C	S	.	.			trans	-84.6	99.5	-175.3	-169.4	0	0	0	0	112.1	A224 F230 L231 Q232 F280	A224-C228 PolarHBondContact O-N 3.22Å; A224-C228 VanDerWaalsContact O-N 3.1Å; C228-F230 PolarHBondContact O-N 2.8Å; C228-L231 PolarHBondContact O-N 3.1Å; C228-L231 VanDerWaalsContact O-O 3.05Å; C228-Q232 PolarHBondContact O-NE2 3.31Å; C228-F280 HydrophobicContact CB-CE2 4.23Å
229	R	89.4	Confident	73.3	Confident	94 Å²	94	60.7 Å²	60.7	36%	0.355	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.3	-176.8	-58.1	179.9	-67.1	162.3	1.6	114.9	E177 L178 T179 Y187 S227	E177-R229 HydrophobicContact CG-CB 3.93Å; E177-R229 WeakPolarHBondContact OE1-CD 3.44Å; E177-R229 IonicContact OE1-CZ 3.3Å; E177-R229 IonicContact OE1-NE 3.63Å; E177-R229 IonicContact OE1-NH1 3.69Å; E177-R229 PolarHBondContact OE1-NH1 2.89Å; E177-R229 IonicContact OE2-NH1 3.38Å; L178-R229 PolarHBondContact N-O 2.84Å; T179-R229 HydrophobicContact CG2-CB 4.41Å; Y187-R229 PolarHBondContact OH-NH2 3.05Å; Y187-R229 VanDerWaalsContact OH-NH2 3.16Å; S227-R229 PolarHBondContact O-N 3.11Å
230	F	94.3	Very high	75.5	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.009	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-15.6	-177.6	-49.3	-72	0	0	0	113.7	G165 V175 E177 Y187 L204 L206 C228 L275	G165-F230 WeakPolarHBondContact CA-O 3.46Å; V175-F230 HydrophobicContact CG1-CB 4.46Å; V175-F230 HydrophobicContact CG1-CD1 3.72Å; V175-F230 HydrophobicContact CG1-CE1 4.24Å; V175-F230 HydrophobicContact CG1-CG 4.17Å; E177-F230 HydrophobicContact CB-CD1 4.48Å; E177-F230 HydrophobicContact CB-CE1 4.4Å; Y187-F230 AromaticContact CD2-CE1 3.66Å; Y187-F230 HydrophobicContact CD2-CE1 3.66Å; Y187-F230 HydrophobicContact CD2-CZ 4.1Å; Y187-F230 AromaticContact CE2-CE1 3.7Å; Y187-F230 HydrophobicContact CE2-CE1 3.7Å; Y187-F230 AromaticContact CE2-CZ 3.86Å; Y187-F230 HydrophobicContact CE2-CZ 3.86Å; L204-F230 HydrophobicContact CB-CE2 3.73Å; L204-F230 HydrophobicContact CB-CZ 3.96Å; L204-F230 HydrophobicContact CD1-CE2 4.48Å; L204-F230 HydrophobicContact CD2-CE1 4.08Å; L204-F230 HydrophobicContact CD2-CE2 4.19Å; L204-F230 HydrophobicContact CD2-CZ 3.71Å; L204-F230 HydrophobicContact CG-CE2 4.34Å; L204-F230 HydrophobicContact CG-CZ 4.33Å; L204-F230 WeakPolarHBondContact O-CE2 3.38Å; L206-F230 HydrophobicContact CD2-CD2 4.04Å; L206-F230 HydrophobicContact CD2-CE2 4.05Å; L206-F230 HydrophobicContact CG-CE2 4.5Å; C228-F230 PolarHBondContact O-N 2.8Å; F230-L275 HydrophobicContact CB-CD1 4.13Å; F230-L275 HydrophobicContact CB-CD2 4.25Å; F230-L275 HydrophobicContact CD2-CD1 3.97Å; F230-L275 HydrophobicContact CG-CD1 4.31Å
231	L	94.9	Very high	77.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-128.7	105.8	-176.8	-65.5	169.6	0	0	0	108.5	I130 L132 L163 V164 C228 L276 A279 F280	I130-L231 HydrophobicContact CG2-CD1 4.34Å; I130-L231 HydrophobicContact CG2-CD2 4.05Å; L132-L231 HydrophobicContact CD1-CD2 4.47Å; L163-L231 HydrophobicContact CB-CB 4.39Å; V164-L231 WeakPolarHBondContact O-CA 3.49Å; C228-L231 PolarHBondContact O-N 3.1Å; C228-L231 VanDerWaalsContact O-O 3.05Å; L231-L276 HydrophobicContact CD1-CD2 3.82Å; L231-A279 HydrophobicContact CD1-CB 4.24Å; L231-F280 HydrophobicContact CB-CE2 4.11Å; L231-F280 HydrophobicContact CD1-CD2 3.55Å; L231-F280 HydrophobicContact CD1-CE2 3.55Å; L231-F280 HydrophobicContact CG-CE2 4.48Å
232	Q	94.8	Very high	80.1	Confident	19 Å²	19	57.9 Å²	57.9	9%	0.089	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.7	-172.1	-70.5	-61.8	-53.1	0	0	111.8	L163 V164 L178 T179 C228 V234 V237	L163-Q232 CarbonylContact C-O 3.57Å; L163-Q232 WeakPolarHBondContact CA-O 3.21Å; V164-Q232 WeakPolarHBondContact CG2-O 3.39Å; V164-Q232 PolarHBondContact N-O 3.23Å; V164-Q232 PolarHBondContact O-N 2.82Å; L178-Q232 HydrophobicContact CB-CB 4.4Å; L178-Q232 HydrophobicContact CB-CG 4.07Å; T179-Q232 HydrophobicContact CG2-CG 3.63Å; C228-Q232 PolarHBondContact O-NE2 3.31Å; Q232-V234 PolarHBondContact O-N 3.22Å; Q232-V237 HydrophobicContact CB-CB 4.36Å; Q232-V237 HydrophobicContact CB-CG1 3.59Å; Q232-V237 HydrophobicContact CB-CG2 3.8Å; Q232-V237 HydrophobicContact CG-CG1 4.07Å
233	P	95.1	Very high	82.5	Confident	19 Å²	19	55.5 Å²	55.5	12%	0.123	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	134.8	175	-22.2	32.4	0	0	0	111.8	A162 L163 H235 R236	A162-P233 CarbonylContact O-C 3.51Å; A162-P233 VanDerWaalsContact O-CA 3.28Å; A162-P233 WeakPolarHBondContact O-CA 3.36Å; L163-P233 HydrophobicContact CD2-CB 4.39Å; L163-P233 HydrophobicContact CD2-CG 3.82Å; P233-H235 VanDerWaalsContact C-N 3.31Å; P233-H235 PolarHBondContact O-N 3.45Å; P233-R236 HydrophobicContact CB-CG 4.25Å; P233-R236 HydrophobicContact CG-CG 4.49Å; P233-R236 WeakPolarHBondContact O-CB 3.42Å; P233-R236 PolarHBondContact O-N 2.93Å
234	V	95.2	Very high	84.9	Confident	10 Å²	10	51.1 Å²	51.1	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-48.9	-51.1	-178.1	173	0	0	0	0	111.5	L155 L158 P160 A162 V164 Q232 R236 V237 D238	L155-V234 HydrophobicContact CD1-CG1 4.1Å; L155-V234 HydrophobicContact CD1-CG2 4.27Å; L158-V234 HydrophobicContact CB-CG2 3.92Å; L158-V234 HydrophobicContact CD1-CG2 4.08Å; P160-V234 PolarHBondContact O-N 2.88Å; A162-V234 HydrophobicContact CB-CG2 4.33Å; A162-V234 WeakPolarHBondContact O-CG2 3.38Å; A162-V234 PolarHBondContact O-N 3.19Å; V164-V234 HydrophobicContact CB-CG2 4.39Å; V164-V234 HydrophobicContact CG1-CG2 3.48Å; V164-V234 VanDerWaalsContact CG1-CG2 3.48Å; V164-V234 HydrophobicContact CG2-CG2 4.04Å; Q232-V234 PolarHBondContact O-N 3.22Å; V234-R236 PolarHBondContact O-N 2.94Å; V234-V237 PolarHBondContact O-N 2.68Å; V234-D238 HydrophobicContact CG1-CB 4.22Å; V234-D238 WeakPolarHBondContact O-CA 3.3Å; V234-D238 VanDerWaalsContact O-CB 3.29Å; V234-D238 WeakPolarHBondContact O-CB 3.47Å; V234-D238 PolarHBondContact O-N 3.37Å
235	H	93.9	Very high	87.1	Confident	88 Å²	88	50 Å²	50	41%	0.407	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-11.1	-177.4	70.1	-91.9	0	0	0	115.5	P160 P233	P160-H235 HydrophobicContact CB-CB 4.11Å; P160-H235 PolarHBondContact O-N 3.12Å; P160-H235 VanDerWaalsContact O-N 3.15Å; P160-H235 PolarHBondContact O-ND1 2.56Å; P233-H235 VanDerWaalsContact C-N 3.31Å; P233-H235 PolarHBondContact O-N 3.45Å
236	R	92.3	Very high	89.3	Confident	167 Å²	167	50.2 Å²	50.2	63%	0.63	27%	0.271	S	S	*	.	H	α-helix	trans	-97.8	-24.4	177.5	-62.7	-171	-178.5	-179.3	-4.6	113.3	P233 V234	P233-R236 HydrophobicContact CB-CG 4.25Å; P233-R236 HydrophobicContact CG-CG 4.49Å; P233-R236 WeakPolarHBondContact O-CB 3.42Å; P233-R236 PolarHBondContact O-N 2.93Å; V234-R236 PolarHBondContact O-N 2.94Å
237	V	92.5	Very high	91.5	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-131.4	8.5	-169.7	-60	0	0	0	0	112.9	V164 L178 Q232 V234 M239 N240 L241	V164-V237 HydrophobicContact CG2-CG2 3.8Å; L178-V237 HydrophobicContact CB-CG1 4.23Å; L178-V237 HydrophobicContact CD1-CG2 4.29Å; Q232-V237 HydrophobicContact CB-CB 4.36Å; Q232-V237 HydrophobicContact CB-CG1 3.59Å; Q232-V237 HydrophobicContact CB-CG2 3.8Å; Q232-V237 HydrophobicContact CG-CG1 4.07Å; V234-V237 PolarHBondContact O-N 2.68Å; V237-M239 PolarHBondContact O-N 2.86Å; V237-N240 PolarHBondContact O-N 3.46Å; V237-L241 WeakPolarHBondContact O-CB 3.3Å; V237-L241 PolarHBondContact O-N 3.09Å
238	D	91.8	Very high	93.4	Very high	69 Å²	69	50.3 Å²	50.3	37%	0.369	25%	0.249	S	C	.	.	H	α-helix	trans	-57.6	-48.1	-177.4	59	-16.7	0	0	0	112.5	V234 T242	V234-D238 HydrophobicContact CG1-CB 4.22Å; V234-D238 WeakPolarHBondContact O-CA 3.3Å; V234-D238 VanDerWaalsContact O-CB 3.29Å; V234-D238 WeakPolarHBondContact O-CB 3.47Å; V234-D238 PolarHBondContact O-N 3.37Å; D238-T242 VanDerWaalsContact O-CB 3.26Å; D238-T242 WeakPolarHBondContact O-CB 3.27Å; D238-T242 PolarHBondContact O-N 3.26Å; D238-T242 PolarHBondContact O-OG1 3.5Å
239	M	91.6	Very high	94.2	Very high	134 Å²	134	57.6 Å²	57.6	66%	0.66	28%	0.283	S	S	*	.	H	α-helix	trans	-63	-54.4	176.6	-64.4	-169	71.8	0	0	111	V237 L241 T242 D243	V237-M239 PolarHBondContact O-N 2.86Å; M239-L241 VanDerWaalsContact C-N 3.29Å; M239-L241 PolarHBondContact O-N 2.96Å; M239-T242 WeakPolarHBondContact O-CB 3.3Å; M239-T242 PolarHBondContact O-N 3.37Å; M239-T242 VanDerWaalsContact O-N 3.1Å; M239-D243 PolarHBondContact O-N 3.01Å
240	N	91.9	Very high	94.6	Very high	80 Å²	80	58.2 Å²	58.2	43%	0.428	29%	0.285	S	S	.	.	H	α-helix	trans	-58.1	-40.8	-179.2	-66.9	0.6	0	0	0	112.4	V237 L244	V237-N240 PolarHBondContact O-N 3.46Å; N240-L244 VanDerWaalsContact O-CB 3.24Å; N240-L244 WeakPolarHBondContact O-CB 3.47Å; N240-L244 PolarHBondContact O-N 2.9Å
241	L	93.9	Very high	94.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-74	-34.7	179.2	-175.2	59.9	0	0	0	111.5	L155 V164 L166 L178 V237 M239 L245	L155-L241 HydrophobicContact CD1-CD2 3.9Å; L155-L241 HydrophobicContact CD2-CB 3.97Å; L155-L241 HydrophobicContact CD2-CD2 3.86Å; L155-L241 HydrophobicContact CD2-CG 3.89Å; V164-L241 HydrophobicContact CB-CD2 4.06Å; V164-L241 HydrophobicContact CG2-CD2 3.73Å; L166-L241 HydrophobicContact CB-CD1 4.14Å; L166-L241 HydrophobicContact CD2-CD1 4.11Å; L178-L241 HydrophobicContact CD2-CD1 4.05Å; V237-L241 WeakPolarHBondContact O-CB 3.3Å; V237-L241 PolarHBondContact O-N 3.09Å; M239-L241 VanDerWaalsContact C-N 3.29Å; M239-L241 PolarHBondContact O-N 2.96Å; L241-L245 HydrophobicContact CD1-CG 4.31Å; L241-L245 HydrophobicContact CG-CD1 4.23Å; L241-L245 HydrophobicContact CG-CG 4.41Å; L241-L245 VanDerWaalsContact O-CB 3.27Å; L241-L245 WeakPolarHBondContact O-CB 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.22Å; L241-L245 PolarHBondContact O-N 2.73Å
242	T	95.8	Very high	94.9	Very high	47 Å²	47	64.4 Å²	64.4	29%	0.288	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-46	173.3	-61.3	0	0	0	0	110.8	Q152 D238 M239 L245 G246	Q152-T242 HydrophobicContact CG-CG2 4.08Å; Q152-T242 PolarHBondContact NE2-O 2.77Å; D238-T242 VanDerWaalsContact O-CB 3.26Å; D238-T242 WeakPolarHBondContact O-CB 3.27Å; D238-T242 PolarHBondContact O-N 3.26Å; D238-T242 PolarHBondContact O-OG1 3.5Å; M239-T242 WeakPolarHBondContact O-CB 3.3Å; M239-T242 PolarHBondContact O-N 3.37Å; M239-T242 VanDerWaalsContact O-N 3.1Å; T242-L245 PolarHBondContact O-N 2.8Å; T242-G246 PolarHBondContact O-N 2.82Å
243	D	94.3	Very high	95	Very high	95 Å²	95	69 Å²	69	51%	0.508	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-48.4	177.1	-67.2	-19.2	0	0	0	110.8	M239 L245 G246 E247	M239-D243 PolarHBondContact O-N 3.01Å; D243-L245 VanDerWaalsContact C-N 3.34Å; D243-L245 PolarHBondContact O-N 2.86Å; D243-G246 CarbonylContact O-C 3.59Å; D243-G246 WeakPolarHBondContact O-CA 3.34Å; D243-G246 PolarHBondContact O-N 2.88Å; D243-E247 WeakPolarHBondContact O-CG 3.5Å; D243-E247 PolarHBondContact O-N 2.9Å
244	L	95.3	Very high	95	Very high	29 Å²	29	73.5 Å²	73.5	15%	0.152	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-44.6	177.5	-168.6	167.6	0	0	0	111.5	L166 H176 L178 N240 G246 E247 L248	L166-L244 HydrophobicContact CD2-CD2 3.2Å; L166-L244 HydrophobicContact CD2-CG 4.46Å; H176-L244 HydrophobicContact CB-CD1 4.45Å; L178-L244 HydrophobicContact CD2-CD1 4.4Å; N240-L244 VanDerWaalsContact O-CB 3.24Å; N240-L244 WeakPolarHBondContact O-CB 3.47Å; N240-L244 PolarHBondContact O-N 2.9Å; L244-G246 VanDerWaalsContact C-N 3.29Å; L244-G246 PolarHBondContact O-N 3.24Å; L244-E247 PolarHBondContact O-N 2.94Å; L244-L248 HydrophobicContact CD2-CD2 4Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 2.91Å
245	L	96.4	Very high	95.2	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-60.3	-40.3	173.1	-73.8	173	0	0	0	111.3	K148 L151 Q152 L155 L166 L241 T242 D243 E247 L248	K148-L245 WeakPolarHBondContact CD-O 3.43Å; K148-L245 WeakPolarHBondContact CE-O 3.33Å; K148-L245 VanDerWaalsContact CG-O 3.23Å; K148-L245 WeakPolarHBondContact CG-O 3.47Å; L151-L245 HydrophobicContact CB-CD1 3.98Å; L151-L245 HydrophobicContact CB-CD2 4.18Å; L151-L245 HydrophobicContact CD1-CD2 3.84Å; Q152-L245 HydrophobicContact CG-CB 3.92Å; Q152-L245 HydrophobicContact CG-CD1 4.15Å; L155-L245 HydrophobicContact CD2-CD1 4.48Å; L166-L245 HydrophobicContact CD1-CD2 4.22Å; L166-L245 HydrophobicContact CD2-CD2 4.27Å; L241-L245 HydrophobicContact CD1-CG 4.31Å; L241-L245 HydrophobicContact CG-CD1 4.23Å; L241-L245 HydrophobicContact CG-CG 4.41Å; L241-L245 VanDerWaalsContact O-CB 3.27Å; L241-L245 WeakPolarHBondContact O-CB 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.22Å; L241-L245 PolarHBondContact O-N 2.73Å; T242-L245 PolarHBondContact O-N 2.8Å; D243-L245 VanDerWaalsContact C-N 3.34Å; D243-L245 PolarHBondContact O-N 2.86Å; L245-E247 VanDerWaalsContact C-N 3.3Å; L245-E247 PolarHBondContact O-N 3Å; L245-L248 HydrophobicContact CD2-CD1 3.99Å; L245-L248 PolarHBondContact O-N 3.13Å
246	G	95.8	Very high	95.3	Very high	30 Å²	30	76.3 Å²	76.3	31%	0.309	40%	0.395	S	S	.	.	H	α-helix	trans	-67.5	-27.2	176.8	0	0	0	0	0	113.9	K148 T242 D243 L244	K148-G246 VanDerWaalsContact CE-C 3.45Å; K148-G246 WeakPolarHBondContact CE-O 3.4Å; K148-G246 PolarHBondContact NZ-O 2.92Å; T242-G246 PolarHBondContact O-N 2.82Å; D243-G246 CarbonylContact O-C 3.59Å; D243-G246 WeakPolarHBondContact O-CA 3.34Å; D243-G246 PolarHBondContact O-N 2.88Å; L244-G246 VanDerWaalsContact C-N 3.29Å; L244-G246 PolarHBondContact O-N 3.24Å
247	E	95.8	Very high	95.6	Very high	145 Å²	145	77.9 Å²	77.9	68%	0.678	41%	0.409	S	S	*	.	H	α-helix	trans	-90.4	-5.4	179	-70.7	178.8	-179.7	0	0	113.7	D243 L244 L245 Q249	D243-E247 WeakPolarHBondContact O-CG 3.5Å; D243-E247 PolarHBondContact O-N 2.9Å; L244-E247 PolarHBondContact O-N 2.94Å; L245-E247 VanDerWaalsContact C-N 3.3Å; L245-E247 PolarHBondContact O-N 3Å; E247-Q249 WeakPolarHBondContact O-CG 3.3Å; E247-Q249 PolarHBondContact O-N 3.34Å
248	L	96.7	Very high	95.8	Very high	18 Å²	18	80 Å²	80	9%	0.094	43%	0.432	C	S	.	.			trans	-56.7	131.8	176.9	-69.1	-177.2	0	0	0	111.5	V135 K148 T168 L244 L245	V135-L248 HydrophobicContact CG1-CD1 4.43Å; K148-L248 HydrophobicContact CD-CB 4.06Å; K148-L248 HydrophobicContact CG-CB 4.25Å; K148-L248 PolarHBondContact NZ-O 2.84Å; T168-L248 HydrophobicContact CG2-CD1 4.19Å; T168-L248 HydrophobicContact CG2-CD2 3.68Å; L244-L248 HydrophobicContact CD2-CD2 4Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 2.91Å; L245-L248 HydrophobicContact CD2-CD1 3.99Å; L245-L248 PolarHBondContact O-N 3.13Å
249	Q	96.7	Very high	96.1	Very high	157 Å²	157	79.4 Å²	79.4	73%	0.734	43%	0.426	S	S	*	.			trans	-117.8	167.5	178.1	-59.4	-172.8	-7.5	0	0	110.7	L144 E247	L144-Q249 VanDerWaalsContact CD2-C 3.41Å; E247-Q249 WeakPolarHBondContact O-CG 3.3Å; E247-Q249 PolarHBondContact O-N 3.34Å
250	R	98.1	Very high	96.4	Very high	107 Å²	107	74.3 Å²	74.3	40%	0.404	40%	0.399	S	S	.	.			trans	-59.2	155.1	173.3	-62.8	178.5	67.8	159.3	9.7	110.8	T137 L139 E140 L144	T137-R250 CarbonylContact O-C 3.43Å; T137-R250 WeakPolarHBondContact O-CA 3.19Å; L139-R250 VanDerWaalsContact O-CZ 3.26Å; L139-R250 PolarHBondContact O-NE 3.13Å; L139-R250 PolarHBondContact O-NH2 3.26Å; E140-R250 VanDerWaalsContact CD-NH2 3.26Å; E140-R250 IonicContact OE1-CZ 3.66Å; E140-R250 IonicContact OE1-NH2 3.99Å; E140-R250 PolarHBondContact OE1-NH2 2.94Å; E140-R250 IonicContact OE2-CZ 2.92Å; E140-R250 VanDerWaalsContact OE2-CZ 3.32Å; E140-R250 IonicContact OE2-NH1 3.82Å; E140-R250 PolarHBondContact OE2-NH1 3.17Å; E140-R250 IonicContact OE2-NH2 3.56Å; E140-R250 PolarHBondContact OE2-NH2 3.06Å; E140-R250 VanDerWaalsContact OE2-NH2 3.11Å; L144-R250 HydrophobicContact CD2-CG 4.24Å
251	D	97.9	Very high	96.7	Very high	24 Å²	24	72.6 Å²	72.6	13%	0.128	39%	0.393	C	S	.	.			trans	-52.9	124.8	170.9	-173.6	58.9	0	0	0	108.8	T137 R171 W253	T137-D251 PolarHBondContact O-N 2.77Å; R171-D251 PolarHBondContact N-OD1 3.16Å; R171-D251 PolarHBondContact N-OD2 3.18Å; D251-W253 PolarHBondContact O-N 2.72Å; D251-W253 VanDerWaalsContact OD2-CD1 3.29Å
252	P	96.8	Very high	97	Very high	108 Å²	108	74.8 Å²	74.8	70%	0.701	40%	0.404	S	S	*	.	S	Bend	trans	-73	-3.6	-168.5	28.4	-37	0	0	0	113.5
253	W	97.1	Very high	97.1	Very high	114 Å²	114	72.9 Å²	72.9	43%	0.432	39%	0.392	S	S	.	.	S	Bend	trans	-84	125.2	-176.5	-62.7	92.2	0	0	0	110.7	R171 M172 D251	R171-W253 HydrophobicContact CB-CG 4.16Å; R171-W253 VanDerWaalsContact NH1-CZ3 3.34Å; M172-W253 HydrophobicContact CE-CZ2 4.04Å; D251-W253 PolarHBondContact O-N 2.72Å; D251-W253 VanDerWaalsContact OD2-CD1 3.29Å
254	P	96.3	Very high	97.3	Very high	114 Å²	114	68.4 Å²	68.4	74%	0.74	37%	0.368	S	S	*	.			trans	-66.2	142	178.8	27.3	-34.2	0	0	0	111	P256	P254-P256 WeakPolarHBondContact O-CD 3.42Å
255	V	97.9	Very high	97.5	Very high	71 Å²	71	67 Å²	67	43%	0.43	36%	0.36	S	S	.	.			trans	-96.1	114.4	176.3	-174	0	0	0	0	108.7	K259 P261	V255-K259 HydrophobicContact CG1-CB 4.31Å; V255-K259 WeakPolarHBondContact CG1-O 3.3Å; V255-P261 HydrophobicContact CG2-CB 4.07Å; V255-P261 HydrophobicContact CG2-CG 3.97Å
256	P	97.4	Very high	97.5	Very high	86 Å²	86	67 Å²	67	56%	0.558	36%	0.36	S	S	*	.			trans	-62.6	158.3	177.9	-21	32.8	0	0	0	112.3	P254 G258 K259	P254-P256 WeakPolarHBondContact O-CD 3.42Å; P256-G258 PolarHBondContact O-N 2.89Å; P256-K259 HydrophobicContact CB-CB 4.38Å; P256-K259 HydrophobicContact CB-CG 4.03Å; P256-K259 HydrophobicContact CG-CG 4.38Å; P256-K259 WeakPolarHBondContact O-CB 3.4Å; P256-K259 PolarHBondContact O-N 3.47Å
257	Q	97.4	Very high	97.7	Very high	201 Å²	201	65.6 Å²	65.6	94%	0.939	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	139.5	174.4	-72	-171.4	-17.1	0	0	111.6	K259	Q257-K259 PolarHBondContact O-N 3.31Å
258	G	97.1	Very high	97.8	Very high	50 Å²	50	58.7 Å²	58.7	52%	0.515	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	11.7	-179.3	0	0	0	0	0	114.5	P256 L307	P256-G258 PolarHBondContact O-N 2.89Å; G258-L307 WeakPolarHBondContact O-CB 3.32Å; G258-L307 PolarHBondContact O-N 2.88Å
259	K	98.4	Very high	97.9	Very high	57 Å²	57	57.9 Å²	57.9	25%	0.248	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-117.8	153.4	179.5	-64.5	-71.2	-167.3	156.5	0	112.3	V255 P256 Q257 D305 E306	V255-K259 HydrophobicContact CG1-CB 4.31Å; V255-K259 WeakPolarHBondContact CG1-O 3.3Å; P256-K259 HydrophobicContact CB-CB 4.38Å; P256-K259 HydrophobicContact CB-CG 4.03Å; P256-K259 HydrophobicContact CG-CG 4.38Å; P256-K259 WeakPolarHBondContact O-CB 3.4Å; P256-K259 PolarHBondContact O-N 3.47Å; Q257-K259 PolarHBondContact O-N 3.31Å; K259-D305 CarbonylContact C-O 3.47Å; K259-D305 WeakPolarHBondContact CA-O 3.37Å; K259-D305 HydrophobicContact CD-CB 4.27Å; K259-D305 WeakPolarHBondContact CD-O 3.46Å; K259-D305 WeakPolarHBondContact CD-OD2 3.22Å; K259-D305 WeakPolarHBondContact CE-OD2 3.17Å; K259-D305 IonicContact NZ-OD1 3.63Å; K259-D305 PolarHBondContact NZ-OD1 3.43Å; K259-D305 IonicContact NZ-OD2 3.63Å; K259-D305 PolarHBondContact NZ-OD2 3.44Å; K259-E306 HydrophobicContact CD-CG 4.21Å; K259-E306 VanDerWaalsContact NZ-CG 3.28Å; K259-E306 IonicContact NZ-OE1 3.75Å
260	R	98.4	Very high	97.9	Very high	27 Å²	27	50.5 Å²	50.5	10%	0.102	28%	0.275	C	S	.	.			trans	-86.1	153.9	166.2	-62.7	-177	-179.9	82.8	7	109.5	T296 G304 D305 E306 L307 T309	R260-T296 HydrophobicContact CB-CG2 4.06Å; R260-G304 PolarHBondContact NH1-O 2.99Å; R260-G304 VanDerWaalsContact NH1-O 3.16Å; R260-D305 PolarHBondContact N-O 2.93Å; R260-E306 VanDerWaalsContact NH1-C 3.29Å; R260-E306 PolarHBondContact NH1-O 3.49Å; R260-L307 HydrophobicContact CG-CD2 3.49Å; R260-L307 VanDerWaalsContact CG-CD2 3.49Å; R260-L307 HydrophobicContact CG-CG 4.11Å; R260-T309 PolarHBondContact NH1-O 3.48Å; R260-T309 PolarHBondContact NH2-O 2.93Å
261	P	98.3	Very high	97.9	Very high	44 Å²	44	45.4 Å²	45.4	29%	0.286	26%	0.256	S	S	.	.			trans	-55.7	148.3	167.4	-19.1	28.5	0	0	0	111.4	C138 V255 R263 T296	C138-P261 HydrophobicContact CB-CB 3.71Å; C138-P261 HydrophobicContact CB-CG 4.28Å; V255-P261 HydrophobicContact CG2-CB 4.07Å; V255-P261 HydrophobicContact CG2-CG 3.97Å; P261-R263 PolarHBondContact O-N 3.47Å; P261-T296 PolarHBondContact O-OG1 3.5Å
262	L	98.6	Very high	98	Very high	46 Å²	46	44.2 Å²	44.2	24%	0.241	25%	0.25	C	C	.	.			trans	-81.4	112.5	173.5	-64.6	177.7	0	0	0	109	G170 R171 T296 Q297 D305	G170-L262 CarbonylContact C-O 3.6Å; R171-L262 WeakPolarHBondContact CA-O 3.47Å; R171-L262 HydrophobicContact CB-CB 4.22Å; R171-L262 HydrophobicContact CG-CB 4.13Å; R171-L262 HydrophobicContact CG-CD1 4.22Å; R171-L262 PolarHBondContact N-O 3.35Å; R171-L262 VanDerWaalsContact N-O 3.09Å; L262-T296 WeakPolarHBondContact CA-OG1 3.46Å; L262-Q297 HydrophobicContact CB-CB 4.5Å; L262-D305 HydrophobicContact CD2-CB 4.02Å
263	R	98.6	Very high	98	Very high	8 Å²	8	39.1 Å²	39.1	3%	0.03	22%	0.217	C	C	.	.			trans	-123.7	117	-171.5	-172.8	-170.8	-58.5	-113.7	-16.1	110.7	D136 C138 F169 P261 T265 G292 G293 P294 T296 Q297	D136-R263 IonicContact OD1-CZ 2.94Å; D136-R263 IonicContact OD1-NH1 3.66Å; D136-R263 IonicContact OD1-NH2 2.7Å; D136-R263 IonicContact OD2-CZ 3.62Å; D136-R263 IonicContact OD2-NH1 3.4Å; D136-R263 PolarHBondContact OD2-NH1 2.79Å; D136-R263 IonicContact OD2-NH2 3.58Å; D136-R263 PolarHBondContact OD2-NH2 2.75Å; D136-R263 VanDerWaalsContact OD2-NH2 3.12Å; C138-R263 PolarHBondContact O-NH2 2.79Å; F169-R263 HydrophobicContact CD2-CG 4.49Å; F169-R263 HydrophobicContact CE2-CG 3.83Å; P261-R263 PolarHBondContact O-N 3.47Å; R263-T265 WeakPolarHBondContact CD-OG1 3.34Å; R263-T265 WeakPolarHBondContact CG-OG1 3.43Å; R263-G292 PolarHBondContact NH2-O 2.88Å; R263-G293 VanDerWaalsContact CD-O 3.31Å; R263-G293 WeakPolarHBondContact CD-O 3.19Å; R263-G293 VanDerWaalsContact CZ-CA 3.49Å; R263-G293 PolarHBondContact NE-O 3.42Å; R263-G293 PolarHBondContact NH1-O 2.83Å; R263-P294 WeakPolarHBondContact CD-O 3.28Å; R263-T296 PolarHBondContact N-OG1 3.31Å; R263-T296 PolarHBondContact O-N 3.46Å; R263-Q297 PolarHBondContact O-N 2.73Å; R263-Q297 VanDerWaalsContact O-N 3.16Å
264	S	98.4	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.196	C	C	.	.			trans	-104.2	47.9	-173.9	-64.8	0	0	0	0	113.8	G170 G191 G266 V267 A268 Q297	G170-S264 PolarHBondContact O-N 3.39Å; G191-S264 VanDerWaalsContact CA-CB 3.42Å; G191-S264 WeakPolarHBondContact CA-OG 3.43Å; G191-S264 WeakPolarHBondContact O-CB 3.27Å; G191-S264 PolarHBondContact O-OG 3.47Å; S264-G266 VanDerWaalsContact C-N 3.3Å; S264-G266 PolarHBondContact O-N 3.46Å; S264-V267 PolarHBondContact O-N 3.35Å; S264-V267 VanDerWaalsContact O-N 3.15Å; S264-A268 PolarHBondContact O-N 2.71Å; S264-Q297 PolarHBondContact OG-OE1 3.43Å
265	T	98.7	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-53	-43.5	-177.8	-46.3	0	0	0	0	113	F169 R263 V267 A268 L269 L289 I291 P295 M361	F169-T265 HydrophobicContact CE2-CG2 4.37Å; F169-T265 HydrophobicContact CZ-CG2 4.12Å; R263-T265 WeakPolarHBondContact CD-OG1 3.34Å; R263-T265 WeakPolarHBondContact CG-OG1 3.43Å; T265-V267 PolarHBondContact O-N 2.74Å; T265-A268 PolarHBondContact O-N 3.32Å; T265-L269 HydrophobicContact CG2-CD1 4.45Å; T265-L269 PolarHBondContact O-N 3.37Å; T265-L289 HydrophobicContact CG2-CD1 4.08Å; T265-L289 HydrophobicContact CG2-CD2 3.88Å; T265-I291 HydrophobicContact CG2-CG2 3.9Å; T265-P295 HydrophobicContact CG2-CG 4.39Å; T265-M361 HydrophobicContact CG2-SD 4.05Å
266	G	98.3	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-42.4	-179.4	0	0	0	0	0	112.9	S264 L269 S270 P299 Y331 Y332	S264-G266 VanDerWaalsContact C-N 3.3Å; S264-G266 PolarHBondContact O-N 3.46Å; G266-L269 PolarHBondContact O-N 3.25Å; G266-S270 PolarHBondContact O-N 3.12Å; G266-P299 WeakPolarHBondContact CA-O 3.42Å; G266-Y331 PolarHBondContact O-OH 3.45Å; G266-Y332 PolarHBondContact N-OH 2.65Å
267	V	98.4	Very high	97.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-69.7	-40.4	176.5	-177.7	0	0	0	0	111	V173 G191 S264 T265 L269 S270 V271 P299	V173-V267 HydrophobicContact CG2-CB 4.18Å; V173-V267 HydrophobicContact CG2-CG1 4.01Å; G191-V267 VanDerWaalsContact O-CG2 3.31Å; G191-V267 WeakPolarHBondContact O-CG2 3.46Å; S264-V267 PolarHBondContact O-N 3.35Å; S264-V267 VanDerWaalsContact O-N 3.15Å; T265-V267 PolarHBondContact O-N 2.74Å; V267-L269 VanDerWaalsContact C-N 3.3Å; V267-L269 PolarHBondContact O-N 2.97Å; V267-S270 PolarHBondContact O-N 3.21Å; V267-V271 HydrophobicContact CG1-CG2 4.32Å; V267-V271 WeakPolarHBondContact O-CG2 3.32Å; V267-V271 PolarHBondContact O-N 3.24Å; V267-P299 HydrophobicContact CG2-CG 4.37Å
268	A	98.6	Very high	97.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.3	-44.8	176.6	0	0	0	0	0	111.6	V134 F169 V173 S264 T265 V271 A272	V134-A268 HydrophobicContact CG1-CB 4.05Å; F169-A268 HydrophobicContact CB-CB 3.87Å; F169-A268 HydrophobicContact CD1-CB 3.67Å; F169-A268 HydrophobicContact CD2-CB 4.01Å; F169-A268 HydrophobicContact CE1-CB 4.17Å; F169-A268 HydrophobicContact CE2-CB 4.46Å; F169-A268 HydrophobicContact CG-CB 3.57Å; V173-A268 HydrophobicContact CG1-CB 4.18Å; V173-A268 HydrophobicContact CG2-CB 3.96Å; S264-A268 PolarHBondContact O-N 2.71Å; T265-A268 PolarHBondContact O-N 3.32Å; A268-V271 PolarHBondContact O-N 2.77Å; A268-A272 WeakPolarHBondContact O-CB 3.45Å; A268-A272 PolarHBondContact O-N 2.83Å
269	L	98.4	Very high	96.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.7	-42.4	174.3	-73.4	174.2	0	0	0	112.8	T265 G266 V267 V271 A272 V273 V287 L289 Y332 L335 V346 L364	T265-L269 HydrophobicContact CG2-CD1 4.45Å; T265-L269 PolarHBondContact O-N 3.37Å; G266-L269 PolarHBondContact O-N 3.25Å; V267-L269 VanDerWaalsContact C-N 3.3Å; V267-L269 PolarHBondContact O-N 2.97Å; L269-V271 VanDerWaalsContact C-N 3.28Å; L269-V271 PolarHBondContact O-N 2.96Å; L269-A272 PolarHBondContact O-N 2.79Å; L269-V273 WeakPolarHBondContact O-CB 3.42Å; L269-V273 VanDerWaalsContact O-CG2 3.27Å; L269-V273 WeakPolarHBondContact O-CG2 3.47Å; L269-V273 PolarHBondContact O-N 2.98Å; L269-V287 HydrophobicContact CD2-CG1 4.28Å; L269-L289 HydrophobicContact CD1-CD2 3.9Å; L269-L289 HydrophobicContact CD2-CB 4.24Å; L269-L289 HydrophobicContact CD2-CD1 4.15Å; L269-L289 HydrophobicContact CD2-CD2 4.12Å; L269-L289 HydrophobicContact CD2-CG 4.39Å; L269-L289 HydrophobicContact CG-CD1 4.34Å; L269-L289 HydrophobicContact CG-CD2 4.23Å; L269-Y332 HydrophobicContact CD1-CD1 4.21Å; L269-Y332 HydrophobicContact CD1-CE1 3.86Å; L269-L335 HydrophobicContact CB-CD1 3.97Å; L269-V346 HydrophobicContact CD2-CG1 4.24Å; L269-L364 HydrophobicContact CD1-CD1 3.58Å
270	S	97.9	Very high	96.5	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-59.6	-40.3	176.9	-172.4	0	0	0	0	112.1	L195 I200 G266 V267 G274 Y331	L195-S270 PolarHBondContact O-OG 2.86Å; I200-S270 WeakPolarHBondContact CD1-O 3.46Å; G266-S270 PolarHBondContact O-N 3.12Å; V267-S270 PolarHBondContact O-N 3.21Å; S270-G274 PolarHBondContact O-N 3.29Å; S270-Y331 WeakPolarHBondContact CB-OH 3.42Å
271	V	98.1	Very high	96.2	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.8	-45.8	174	174.7	0	0	0	0	111.5	I167 V173 V175 F189 I200 V267 A268 L269 V273 G274 L275	I167-V271 HydrophobicContact CD1-CG1 4.32Å; V173-V271 HydrophobicContact CG1-CB 4.34Å; V173-V271 HydrophobicContact CG1-CG1 4.48Å; V173-V271 HydrophobicContact CG1-CG2 4.36Å; V175-V271 HydrophobicContact CG2-CG1 3.44Å; V175-V271 VanDerWaalsContact CG2-CG1 3.44Å; F189-V271 HydrophobicContact CD2-CG1 4.36Å; F189-V271 HydrophobicContact CD2-CG2 4.43Å; F189-V271 HydrophobicContact CE2-CG1 4.25Å; F189-V271 HydrophobicContact CG-CG2 4.32Å; I200-V271 HydrophobicContact CD1-CG2 4.3Å; I200-V271 HydrophobicContact CG1-CG2 4.43Å; I200-V271 HydrophobicContact CG2-CG1 4.37Å; V267-V271 HydrophobicContact CG1-CG2 4.32Å; V267-V271 WeakPolarHBondContact O-CG2 3.32Å; V267-V271 PolarHBondContact O-N 3.24Å; A268-V271 PolarHBondContact O-N 2.77Å; L269-V271 VanDerWaalsContact C-N 3.28Å; L269-V271 PolarHBondContact O-N 2.96Å; V271-V273 PolarHBondContact O-N 2.92Å; V271-G274 PolarHBondContact O-N 2.81Å; V271-L275 WeakPolarHBondContact O-CB 3.22Å; V271-L275 PolarHBondContact O-N 2.84Å
272	A	98.1	Very high	95.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.1	-47.7	177	0	0	0	0	0	112.2	L132 V134 I167 A268 L269 L275 L276 V287	L132-A272 HydrophobicContact CD2-CB 3.76Å; V134-A272 HydrophobicContact CG2-CB 3.83Å; I167-A272 HydrophobicContact CD1-CB 3.74Å; A268-A272 WeakPolarHBondContact O-CB 3.45Å; A268-A272 PolarHBondContact O-N 2.83Å; L269-A272 PolarHBondContact O-N 2.79Å; A272-L275 PolarHBondContact O-N 3.13Å; A272-L276 PolarHBondContact O-N 2.93Å; A272-L276 VanDerWaalsContact O-N 3.15Å; A272-V287 HydrophobicContact CB-CG1 4.14Å
273	V	97.3	Very high	95.4	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-63.4	-45.8	176.3	174.8	0	0	0	0	110.3	L269 V271 L275 L276 E277 R338 S339	L269-V273 WeakPolarHBondContact O-CB 3.42Å; L269-V273 VanDerWaalsContact O-CG2 3.27Å; L269-V273 WeakPolarHBondContact O-CG2 3.47Å; L269-V273 PolarHBondContact O-N 2.98Å; V271-V273 PolarHBondContact O-N 2.92Å; V273-L275 VanDerWaalsContact C-N 3.35Å; V273-L275 PolarHBondContact O-N 3.44Å; V273-L276 PolarHBondContact O-N 2.89Å; V273-E277 HydrophobicContact CG1-CG 4.11Å; V273-E277 VanDerWaalsContact O-CB 3.28Å; V273-E277 WeakPolarHBondContact O-CB 3.15Å; V273-E277 WeakPolarHBondContact O-CG 3.23Å; V273-E277 PolarHBondContact O-N 3.15Å; V273-R338 HydrophobicContact CG1-CB 4.04Å; V273-S339 WeakPolarHBondContact CG2-OG 3.24Å
274	G	95.8	Very high	95.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.9	-36.3	178.6	0	0	0	0	0	114.2	S270 V271 G278	S270-G274 PolarHBondContact O-N 3.29Å; V271-G274 PolarHBondContact O-N 2.81Å; G274-G278 PolarHBondContact O-N 3.45Å; G274-G278 VanDerWaalsContact O-N 3.14Å
275	L	95.4	Very high	95	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-62.5	-52	174.1	169.1	59.8	0	0	0	110.9	L132 I167 V175 L204 L206 F230 V271 A272 V273 G278 A279	L132-L275 HydrophobicContact CD1-CD2 4.43Å; L132-L275 HydrophobicContact CD2-CD2 4.31Å; I167-L275 HydrophobicContact CD1-CD2 4.4Å; V175-L275 HydrophobicContact CG1-CD2 4.3Å; L204-L275 HydrophobicContact CD1-CB 4.43Å; L204-L275 HydrophobicContact CD1-CD1 4.1Å; L206-L275 HydrophobicContact CD1-CD1 3.64Å; F230-L275 HydrophobicContact CB-CD1 4.13Å; F230-L275 HydrophobicContact CB-CD2 4.25Å; F230-L275 HydrophobicContact CD2-CD1 3.97Å; F230-L275 HydrophobicContact CG-CD1 4.31Å; V271-L275 WeakPolarHBondContact O-CB 3.22Å; V271-L275 PolarHBondContact O-N 2.84Å; A272-L275 PolarHBondContact O-N 3.13Å; V273-L275 VanDerWaalsContact C-N 3.35Å; V273-L275 PolarHBondContact O-N 3.44Å; L275-G278 PolarHBondContact O-N 3.23Å; L275-A279 WeakPolarHBondContact O-CB 3.27Å; L275-A279 PolarHBondContact O-N 3.24Å
276	L	95.3	Very high	95	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.9	-36.7	-179	-66.8	178	0	0	0	112.4	I130 L132 L231 A272 V273 G278 A279 F280 A285 V287 H344	I130-L276 HydrophobicContact CG2-CD2 3.88Å; L132-L276 HydrophobicContact CD2-CD1 4.03Å; L132-L276 HydrophobicContact CD2-CD2 4.39Å; L132-L276 HydrophobicContact CD2-CG 3.98Å; L231-L276 HydrophobicContact CD1-CD2 3.82Å; A272-L276 PolarHBondContact O-N 2.93Å; A272-L276 VanDerWaalsContact O-N 3.15Å; V273-L276 PolarHBondContact O-N 2.89Å; L276-G278 VanDerWaalsContact C-N 3.28Å; L276-G278 PolarHBondContact O-N 2.72Å; L276-A279 PolarHBondContact O-N 2.89Å; L276-F280 CarbonylContact O-C 3.53Å; L276-F280 VanDerWaalsContact O-C 3.24Å; L276-F280 WeakPolarHBondContact O-CA 3.33Å; L276-F280 PolarHBondContact O-N 2.94Å; L276-A285 HydrophobicContact CD1-CB 4Å; L276-A285 HydrophobicContact CD2-CB 4.43Å; L276-V287 HydrophobicContact CD1-CG2 3.39Å; L276-H344 VanDerWaalsContact CB-CE1 3.43Å; L276-H344 WeakPolarHBondContact CB-CE1 3.49Å; L276-H344 PolarHBondContact O-CE1 3.26Å
277	E	93.4	Very high	95.1	Very high	26 Å²	26	12 Å²	12	12%	0.121	8%	0.075	C	C	.	.	H	α-helix	trans	-58.5	-40	173.5	-80.5	179.1	158.8	0	0	112.4	S197 V273 R338 N342	S197-E277 WeakPolarHBondContact CB-OE2 3.41Å; S197-E277 PolarHBondContact OG-OE2 3.04Å; V273-E277 HydrophobicContact CG1-CG 4.11Å; V273-E277 VanDerWaalsContact O-CB 3.28Å; V273-E277 WeakPolarHBondContact O-CB 3.15Å; V273-E277 WeakPolarHBondContact O-CG 3.23Å; V273-E277 PolarHBondContact O-N 3.15Å; E277-R338 VanDerWaalsContact OE1-CB 3.27Å; E277-R338 WeakPolarHBondContact OE1-CB 3.44Å; E277-R338 IonicContact OE1-CZ 3.95Å; E277-R338 IonicContact OE1-NE 2.7Å; E277-R338 PolarHBondContact OE1-NE 2.79Å; E277-R338 IonicContact OE1-NH2 3.44Å; E277-R338 IonicContact OE2-CZ 3.42Å; E277-R338 IonicContact OE2-NE 3.7Å; E277-R338 PolarHBondContact OE2-NE 2.8Å; E277-R338 IonicContact OE2-NH2 3.96Å; E277-R338 PolarHBondContact OE2-NH2 2.82Å; E277-N342 HydrophobicContact CG-CB 4.48Å; E277-N342 WeakPolarHBondContact CG-ND2 3.33Å; E277-N342 PolarHBondContact OE1-ND2 2.89Å
278	G	89.8	Confident	95.1	Very high	27 Å²	27	12 Å²	12	28%	0.278	8%	0.075	S	C	.	.	H	α-helix	trans	-78.9	-36.1	179.7	0	0	0	0	0	113.9	Q201 G274 L275 L276	Q201-G278 VanDerWaalsContact CD-CA 3.48Å; Q201-G278 VanDerWaalsContact NE2-CA 3.32Å; G274-G278 PolarHBondContact O-N 3.45Å; G274-G278 VanDerWaalsContact O-N 3.14Å; L275-G278 PolarHBondContact O-N 3.23Å; L276-G278 VanDerWaalsContact C-N 3.28Å; L276-G278 PolarHBondContact O-N 2.72Å
279	A	89.9	Confident	95.1	Very high	13 Å²	13	12 Å²	12	11%	0.107	8%	0.075	C	C	.	.	H	α-helix	trans	-91.5	-44.1	-173.2	0	0	0	0	0	113.4	L231 L275 L276	L231-A279 HydrophobicContact CD1-CB 4.24Å; L275-A279 WeakPolarHBondContact O-CB 3.27Å; L275-A279 PolarHBondContact O-N 3.24Å; L276-A279 PolarHBondContact O-N 2.89Å
280	F	91.3	Very high	95.1	Very high	4 Å²	4	12 Å²	12	2%	0.018	8%	0.075	C	C	.	.			trans	-143.4	62.1	-170.5	-63.6	-81.4	0	0	0	113.2	I130 L163 A224 A225 C228 L231 L276 H344	I130-F280 HydrophobicContact CD1-CB 3.37Å; I130-F280 HydrophobicContact CD1-CD1 3.85Å; I130-F280 HydrophobicContact CD1-CD2 3.59Å; I130-F280 HydrophobicContact CD1-CE2 4.28Å; I130-F280 HydrophobicContact CD1-CG 3.33Å; L163-F280 HydrophobicContact CD1-CE1 3.81Å; L163-F280 HydrophobicContact CD1-CE2 3.69Å; L163-F280 HydrophobicContact CD1-CZ 3.24Å; A224-F280 HydrophobicContact CB-CE1 4.42Å; A225-F280 HydrophobicContact CB-CE1 3.99Å; A225-F280 HydrophobicContact CB-CZ 3.9Å; C228-F280 HydrophobicContact CB-CE2 4.23Å; L231-F280 HydrophobicContact CB-CE2 4.11Å; L231-F280 HydrophobicContact CD1-CD2 3.55Å; L231-F280 HydrophobicContact CD1-CE2 3.55Å; L231-F280 HydrophobicContact CG-CE2 4.48Å; L276-F280 CarbonylContact O-C 3.53Å; L276-F280 VanDerWaalsContact O-C 3.24Å; L276-F280 WeakPolarHBondContact O-CA 3.33Å; L276-F280 PolarHBondContact O-N 2.94Å; F280-H344 PolarHBondContact O-NE2 2.88Å
281	P	91.9	Very high	95.1	Very high	59 Å²	59	11.9 Å²	11.9	38%	0.383	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	149	173.9	29.6	-35.1	0	0	0	111.1	T283	P281-T283 PolarHBondContact O-N 2.9Å; P281-T283 PolarHBondContact O-OG1 2.89Å
282	N	90.4	Very high	95.1	Very high	102 Å²	102	12.7 Å²	12.7	55%	0.545	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	27.1	176.7	-57.7	-57.1	0	0	0	115.2	V341 N342	N282-V341 PolarHBondContact OD1-O 3.06Å; N282-N342 WeakPolarHBondContact CA-O 3.36Å; N282-N342 PolarHBondContact N-O 2.8Å
283	T	89.8	Confident	95.2	Very high	12 Å²	12	12.9 Å²	12.9	7%	0.074	9%	0.085	C	C	.	.	S	Bend	trans	-119	147	178.4	-59	0	0	0	0	109.6	A127 I130 P281 A285 H344	A127-T283 HydrophobicContact CB-CG2 3.73Å; I130-T283 HydrophobicContact CD1-CG2 4.07Å; P281-T283 PolarHBondContact O-N 2.9Å; P281-T283 PolarHBondContact O-OG1 2.89Å; T283-A285 PolarHBondContact O-N 2.81Å; T283-H344 PolarHBondContact O-CD2 2.94Å; T283-H344 VanDerWaalsContact O-CD2 3.32Å
284	G	92.8	Very high	95.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.01	9%	0.09	C	C	.	.			trans	-61.2	108.2	176.6	0	0	0	0	0	112.2	I130 F403 Q487	I130-G284 PolarHBondContact N-O 2.92Å; G284-F403 VanDerWaalsContact CA-CB 3.47Å; G284-Q487 VanDerWaalsContact N-OE1 3.1Å
285	A	96.8	Very high	95.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148	178.5	0	0	0	0	0	111.3	I130 L276 T283 H344 S345	I130-A285 HydrophobicContact CB-CB 3.82Å; I130-A285 HydrophobicContact CD1-CB 4.43Å; I130-A285 HydrophobicContact CG2-CB 4.32Å; I130-A285 CarbonylContact O-C 3.49Å; I130-A285 WeakPolarHBondContact O-CA 3.49Å; L276-A285 HydrophobicContact CD1-CB 4Å; L276-A285 HydrophobicContact CD2-CB 4.43Å; T283-A285 PolarHBondContact O-N 2.81Å; A285-H344 HydrophobicContact CB-CB 4.34Å; A285-S345 PolarHBondContact O-N 2.9Å; A285-S345 PolarHBondContact O-OG 2.77Å
286	R	98.3	Very high	95.5	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.008	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	108.5	-178.5	-162.7	165.8	-160.8	147.6	16.6	110.4	I130 F131 L132 M288 S345 D347 H371 F403	I130-R286 PolarHBondContact O-N 3.14Å; F131-R286 HydrophobicContact CD1-CB 4.03Å; F131-R286 HydrophobicContact CE1-CB 4.3Å; L132-R286 PolarHBondContact N-O 3.13Å; R286-M288 HydrophobicContact CG-CG 4.1Å; R286-S345 WeakPolarHBondContact CA-OG 3.47Å; R286-D347 IonicContact CZ-OD1 3.47Å; R286-D347 IonicContact CZ-OD2 3.65Å; R286-D347 IonicContact NE-OD1 2.92Å; R286-D347 PolarHBondContact NE-OD1 3.04Å; R286-D347 IonicContact NE-OD2 2.76Å; R286-D347 PolarHBondContact NE-OD2 3.24Å; R286-D347 IonicContact NH2-OD1 3.32Å; R286-D347 PolarHBondContact NH2-OD1 3.31Å; R286-D347 IonicContact NH2-OD2 3.43Å; R286-D347 PolarHBondContact NH2-OD2 3.06Å; R286-H371 PolarHBondContact NH2-CD2 2.82Å; R286-H371 PolarHBondContact NH2-NE2 2.81Å; R286-F403 HydrophobicContact CB-CE1 4.14Å
287	V	98.8	Very high	95.6	Very high	1 Å²	1	15 Å²	15	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	114.9	171.7	-177.4	0	0	0	0	107.5	L132 V134 L269 A272 L276 S345 V346 D347	L132-V287 HydrophobicContact CD2-CG2 4.45Å; V134-V287 HydrophobicContact CG2-CG1 3.66Å; L269-V287 HydrophobicContact CD2-CG1 4.28Å; A272-V287 HydrophobicContact CB-CG1 4.14Å; L276-V287 HydrophobicContact CD1-CG2 3.39Å; V287-S345 PolarHBondContact N-O 2.67Å; V287-V346 HydrophobicContact CB-CG1 4.48Å; V287-V346 HydrophobicContact CB-CG2 4.24Å; V287-V346 CarbonylContact O-C 3.43Å; V287-V346 WeakPolarHBondContact O-CA 3.27Å; V287-D347 PolarHBondContact O-N 3.34Å
288	M	98.8	Very high	95.7	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	102	-179.2	-64.6	177.2	-72.3	0	0	109	F131 L132 Y133 V134 R286 F290 Y349 F387 F391	F131-M288 HydrophobicContact CB-CE 3.81Å; F131-M288 HydrophobicContact CD1-CE 3.92Å; F131-M288 HydrophobicContact CD1-SD 4.42Å; F131-M288 HydrophobicContact CG-CE 4.34Å; L132-M288 PolarHBondContact O-N 3.38Å; Y133-M288 HydrophobicContact CD1-CE 3.58Å; Y133-M288 HydrophobicContact CD2-CE 4.35Å; Y133-M288 HydrophobicContact CE1-CE 3.31Å; Y133-M288 HydrophobicContact CE1-SD 4.26Å; Y133-M288 HydrophobicContact CE2-CE 4.1Å; Y133-M288 HydrophobicContact CG-CE 4.12Å; V134-M288 PolarHBondContact N-O 3.05Å; R286-M288 HydrophobicContact CG-CG 4.1Å; M288-F290 HydrophobicContact CB-CE2 3.58Å; M288-F290 HydrophobicContact CB-CZ 3.87Å; M288-F290 VanDerWaalsContact O-CD2 3.32Å; M288-F290 WeakPolarHBondContact O-CD2 3.49Å; M288-F290 VanDerWaalsContact O-CE2 3.24Å; M288-F290 WeakPolarHBondContact O-CE2 3.29Å; M288-Y349 HydrophobicContact CB-CD2 4.46Å; M288-Y349 HydrophobicContact CB-CE2 3.94Å; M288-Y349 HydrophobicContact CG-CE2 4.1Å; M288-F387 HydrophobicContact SD-CE2 4.34Å; M288-F391 HydrophobicContact SD-CZ 3.92Å
289	L	98.9	Very high	96.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.6	179.3	176.5	70.7	0	0	0	110.5	V134 F169 T265 L269 I291 D347 I348 Y349 M361	V134-L289 HydrophobicContact CB-CD1 4.1Å; V134-L289 HydrophobicContact CG1-CD1 3.76Å; V134-L289 WeakPolarHBondContact O-CA 3.49Å; F169-L289 HydrophobicContact CE1-CD1 3.89Å; F169-L289 HydrophobicContact CZ-CD1 4.04Å; T265-L289 HydrophobicContact CG2-CD1 4.08Å; T265-L289 HydrophobicContact CG2-CD2 3.88Å; L269-L289 HydrophobicContact CD1-CD2 3.9Å; L269-L289 HydrophobicContact CD2-CB 4.24Å; L269-L289 HydrophobicContact CD2-CD1 4.15Å; L269-L289 HydrophobicContact CD2-CD2 4.12Å; L269-L289 HydrophobicContact CD2-CG 4.39Å; L269-L289 HydrophobicContact CG-CD1 4.34Å; L269-L289 HydrophobicContact CG-CD2 4.23Å; L289-I291 HydrophobicContact CD1-CG2 3.95Å; L289-I291 HydrophobicContact CD2-CG2 4.09Å; L289-I291 HydrophobicContact CG-CG2 3.89Å; L289-D347 VanDerWaalsContact CB-O 3.32Å; L289-D347 WeakPolarHBondContact CB-O 3.28Å; L289-D347 PolarHBondContact N-O 3.17Å; L289-I348 HydrophobicContact CD2-CG1 4.29Å; L289-I348 HydrophobicContact CD2-CG2 4.32Å; L289-Y349 PolarHBondContact O-N 2.93Å; L289-M361 HydrophobicContact CD2-SD 4.37Å
290	F	98.9	Very high	96.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.7	174.1	-55.3	-92.7	0	0	0	109.3	Y133 V134 V135 D136 L147 L151 M288 Y349 F378 F383 F387	Y133-F290 AromaticContact CD1-CE2 3.92Å; Y133-F290 HydrophobicContact CD1-CE2 3.92Å; Y133-F290 HydrophobicContact CD1-CZ 4.36Å; V134-F290 PolarHBondContact O-N 2.88Å; V135-F290 HydrophobicContact CG2-CD2 4.15Å; D136-F290 WeakPolarHBondContact CB-O 3.34Å; D136-F290 PolarHBondContact N-O 2.99Å; L147-F290 HydrophobicContact CD1-CB 4.18Å; L147-F290 HydrophobicContact CD1-CD1 3.47Å; L147-F290 VanDerWaalsContact CD1-CD1 3.47Å; L147-F290 HydrophobicContact CD1-CE1 4.05Å; L147-F290 HydrophobicContact CD1-CG 3.89Å; L147-F290 HydrophobicContact CD2-CB 3.87Å; L147-F290 HydrophobicContact CD2-CG 4.4Å; L151-F290 HydrophobicContact CD2-CD1 4.43Å; L151-F290 HydrophobicContact CD2-CD2 4.16Å; L151-F290 HydrophobicContact CD2-CE1 3.88Å; L151-F290 HydrophobicContact CD2-CE2 3.6Å; L151-F290 HydrophobicContact CD2-CZ 3.43Å; L151-F290 VanDerWaalsContact CD2-CZ 3.43Å; M288-F290 HydrophobicContact CB-CE2 3.58Å; M288-F290 HydrophobicContact CB-CZ 3.87Å; M288-F290 VanDerWaalsContact O-CD2 3.32Å; M288-F290 WeakPolarHBondContact O-CD2 3.49Å; M288-F290 VanDerWaalsContact O-CE2 3.24Å; M288-F290 WeakPolarHBondContact O-CE2 3.29Å; F290-Y349 WeakPolarHBondContact CA-O 3.3Å; F290-Y349 AromaticContact CD1-CD2 3.87Å; F290-Y349 HydrophobicContact CD1-CD2 3.87Å; F290-Y349 AromaticContact CD1-CG 3.9Å; F290-Y349 HydrophobicContact CD1-CG 3.9Å; F290-Y349 HydrophobicContact CE1-CD1 4.45Å; F290-Y349 AromaticContact CE1-CD2 3.46Å; F290-Y349 HydrophobicContact CE1-CD2 3.46Å; F290-Y349 VanDerWaalsContact CE1-CD2 3.46Å; F290-Y349 HydrophobicContact CE1-CE2 4.12Å; F290-Y349 AromaticContact CE1-CG 3.68Å; F290-Y349 HydrophobicContact CE1-CG 3.68Å; F290-Y349 HydrophobicContact CE2-CD2 4.35Å; F290-Y349 HydrophobicContact CG-CD2 4.47Å; F290-Y349 AromaticContact CZ-CD2 3.73Å; F290-Y349 HydrophobicContact CZ-CD2 3.73Å; F290-Y349 HydrophobicContact CZ-CE2 4.04Å; F290-Y349 HydrophobicContact CZ-CG 4.4Å; F290-F378 HydrophobicContact CB-CZ 4.2Å; F290-F378 HydrophobicContact CD1-CE1 4.3Å; F290-F383 HydrophobicContact CD1-CZ 4.23Å; F290-F383 HydrophobicContact CE1-CZ 4.18Å; F290-F387 HydrophobicContact CE1-CD2 4.15Å; F290-F387 AromaticContact CE1-CE2 3.7Å; F290-F387 HydrophobicContact CE1-CE2 3.7Å; F290-F387 AromaticContact CE1-CZ 3.9Å; F290-F387 HydrophobicContact CE1-CZ 3.9Å; F290-F387 HydrophobicContact CZ-CD2 4.45Å; F290-F387 HydrophobicContact CZ-CE1 4.5Å; F290-F387 AromaticContact CZ-CE2 3.57Å; F290-F387 HydrophobicContact CZ-CE2 3.57Å; F290-F387 AromaticContact CZ-CZ 3.6Å; F290-F387 HydrophobicContact CZ-CZ 3.6Å
291	I	98.7	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.4	-179.5	57.5	-179	0	0	0	111.4	F169 T265 L289 I348 Y349 A350 C351 M361 F378	F169-I291 HydrophobicContact CZ-CG2 3.9Å; T265-I291 HydrophobicContact CG2-CG2 3.9Å; L289-I291 HydrophobicContact CD1-CG2 3.95Å; L289-I291 HydrophobicContact CD2-CG2 4.09Å; L289-I291 HydrophobicContact CG-CG2 3.89Å; I291-I348 HydrophobicContact CD1-CG2 4.07Å; I291-I348 HydrophobicContact CG1-CG2 4.49Å; I291-Y349 PolarHBondContact N-O 3.02Å; I291-A350 HydrophobicContact CD1-CB 4.11Å; I291-A350 HydrophobicContact CG1-CB 3.81Å; I291-A350 WeakPolarHBondContact O-CA 3.49Å; I291-C351 PolarHBondContact O-N 3.32Å; I291-M361 HydrophobicContact CD1-CE 3.51Å; I291-F378 WeakPolarHBondContact O-CZ 3.46Å
292	G	98.1	Very high	97.1	Very high	17 Å²	17	14.4 Å²	14.4	18%	0.175	9%	0.09	C	C	.	.	S	Bend	trans	-113.2	46.8	166.9	0	0	0	0	0	114.6	D136 R263 C351	D136-G292 PolarHBondContact OD2-N 2.8Å; R263-G292 PolarHBondContact NH2-O 2.88Å; G292-C351 WeakPolarHBondContact CA-O 3.28Å
293	G	98.2	Very high	97.5	Very high	5 Å²	5	9.8 Å²	9.8	5%	0.052	7%	0.066	C	C	.	.	S	Bend	trans	156.4	168.9	179.2	0	0	0	0	0	113.7	R263	R263-G293 VanDerWaalsContact CD-O 3.31Å; R263-G293 WeakPolarHBondContact CD-O 3.19Å; R263-G293 VanDerWaalsContact CZ-CA 3.49Å; R263-G293 PolarHBondContact NE-O 3.42Å; R263-G293 PolarHBondContact NH1-O 2.83Å
294	P	98.4	Very high	97.8	Very high	15 Å²	15	10.3 Å²	10.3	10%	0.097	7%	0.073	C	C	.	.			trans	-75.6	151	-173.4	32.1	-37.2	0	0	0	112.6	R263 T296 V302 V303 I311 Q355 T356	R263-P294 WeakPolarHBondContact CD-O 3.28Å; P294-T296 HydrophobicContact CG-CG2 4.48Å; P294-T296 WeakPolarHBondContact O-CG2 3.49Å; P294-T296 PolarHBondContact O-N 3.06Å; P294-V302 HydrophobicContact CB-CB 4.5Å; P294-V303 HydrophobicContact CB-CG1 3.89Å; P294-V303 HydrophobicContact CG-CG1 3.6Å; P294-I311 HydrophobicContact CB-CD1 4.35Å; P294-I311 HydrophobicContact CG-CD1 3.82Å; P294-Q355 WeakPolarHBondContact CD-O 3.45Å; P294-T356 WeakPolarHBondContact CA-O 3.22Å
295	P	98.5	Very high	98.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.086	C	C	.	.			trans	-61.7	120.5	169.2	-17.2	27	0	0	0	111.2	T265 V302 V303 Y332 T356 M361	T265-P295 HydrophobicContact CG2-CG 4.39Å; P295-V302 HydrophobicContact CB-CG2 4.34Å; P295-V302 HydrophobicContact CG-CG2 3.86Å; P295-V302 PolarHBondContact O-N 3.04Å; P295-V303 PolarHBondContact O-N 3.2Å; P295-Y332 WeakPolarHBondContact CG-OH 3.47Å; P295-T356 VanDerWaalsContact CD-O 3.3Å; P295-T356 WeakPolarHBondContact CD-O 3.38Å; P295-M361 HydrophobicContact CG-CE 4.43Å; P295-M361 HydrophobicContact CG-SD 4.48Å
296	T	98.6	Very high	98.1	Very high	6 Å²	6	16.1 Å²	16.1	4%	0.037	10%	0.102	C	C	.	.			trans	-116.4	-0.3	-176.2	57	0	0	0	0	114.2	R260 P261 L262 R263 P294 V303	R260-T296 HydrophobicContact CB-CG2 4.06Å; P261-T296 PolarHBondContact O-OG1 3.5Å; L262-T296 WeakPolarHBondContact CA-OG1 3.46Å; R263-T296 PolarHBondContact N-OG1 3.31Å; R263-T296 PolarHBondContact O-N 3.46Å; P294-T296 HydrophobicContact CG-CG2 4.48Å; P294-T296 WeakPolarHBondContact O-CG2 3.49Å; P294-T296 PolarHBondContact O-N 3.06Å; T296-V303 WeakPolarHBondContact CA-O 3.37Å; T296-V303 HydrophobicContact CG2-CG1 4.02Å
297	Q	97.8	Very high	98.1	Very high	26 Å²	26	20.3 Å²	20.3	12%	0.121	12%	0.124	C	C	.	.	S	Bend	trans	-145.9	140.2	-179.8	178.1	174.1	83.8	0	0	112.1	R171 T192 L262 R263 S264	R171-Q297 PolarHBondContact O-OE1 2.66Å; T192-Q297 VanDerWaalsContact CG2-CD 3.47Å; T192-Q297 HydrophobicContact CG2-CG 3.8Å; L262-Q297 HydrophobicContact CB-CB 4.5Å; R263-Q297 PolarHBondContact O-N 2.73Å; R263-Q297 VanDerWaalsContact O-N 3.16Å; S264-Q297 PolarHBondContact OG-OE1 3.43Å
298	G	96.4	Very high	98	Very high	25 Å²	25	28 Å²	28	26%	0.258	16%	0.157	S	C	.	.	S	Bend	trans	85	-169.9	170.4	0	0	0	0	0	114.2	G191 M301	G191-G298 WeakPolarHBondContact O-CA 3.49Å; G298-M301 VanDerWaalsContact O-CB 3.25Å; G298-M301 WeakPolarHBondContact O-CB 3.27Å; G298-M301 PolarHBondContact O-N 3.43Å
299	P	96.8	Very high	97.9	Very high	25 Å²	25	31.1 Å²	31.1	16%	0.162	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	140.4	169.2	-21.7	31.8	0	0	0	111.6	D194 G266 V267 M301 Y331	D194-P299 HydrophobicContact CB-CB 4.48Å; D194-P299 HydrophobicContact CB-CG 3.62Å; G266-P299 WeakPolarHBondContact CA-O 3.42Å; V267-P299 HydrophobicContact CG2-CG 4.37Å; P299-M301 VanDerWaalsContact C-N 3.3Å; P299-Y331 HydrophobicContact CB-CD1 4.18Å; P299-Y331 HydrophobicContact CB-CD2 3.83Å; P299-Y331 HydrophobicContact CB-CE1 3.81Å; P299-Y331 HydrophobicContact CB-CE2 3.43Å; P299-Y331 VanDerWaalsContact CB-CE2 3.43Å; P299-Y331 HydrophobicContact CB-CG 4.18Å; P299-Y331 VanDerWaalsContact CB-CZ 3.4Å; P299-Y331 HydrophobicContact CG-CE2 4.4Å
300	G	96.9	Very high	97.8	Very high	4 Å²	4	35.6 Å²	35.6	4%	0.041	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	5	-174.6	0	0	0	0	0	115.1	V302 Y332	G300-V302 PolarHBondContact O-N 2.88Å; G300-Y332 WeakPolarHBondContact O-CE2 3.39Å; G300-Y332 PolarHBondContact O-OH 3.12Å
301	M	98.3	Very high	97.8	Very high	56 Å²	56	36 Å²	36	28%	0.276	21%	0.208	S	C	.	.			trans	-55.8	131	175.4	-179.7	173.4	65	0	0	111.9	G298 P299 V303 H324	G298-M301 VanDerWaalsContact O-CB 3.25Å; G298-M301 WeakPolarHBondContact O-CB 3.27Å; G298-M301 PolarHBondContact O-N 3.43Å; P299-M301 VanDerWaalsContact C-N 3.3Å; M301-V303 WeakPolarHBondContact CG-O 3.45Å; M301-H324 VanDerWaalsContact CE-CE1 3.43Å; M301-H324 WeakPolarHBondContact CE-CE1 3.49Å; M301-H324 WeakPolarHBondContact O-CB 3.31Å
302	V	98.5	Very high	97.7	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.03	21%	0.211	C	C	.	.			trans	-102.5	-35.8	-176.3	172.8	0	0	0	0	111.7	P294 P295 G300 H324 E360	P294-V302 HydrophobicContact CB-CB 4.5Å; P295-V302 HydrophobicContact CB-CG2 4.34Å; P295-V302 HydrophobicContact CG-CG2 3.86Å; P295-V302 PolarHBondContact O-N 3.04Å; G300-V302 PolarHBondContact O-N 2.88Å; V302-H324 WeakPolarHBondContact O-CB 3.35Å; V302-H324 PolarHBondContact O-CD2 2.81Å; V302-E360 HydrophobicContact CG2-CB 4.26Å; V302-E360 HydrophobicContact CG2-CG 4Å
303	V	98.5	Very high	97.7	Very high	5 Å²	5	38 Å²	38	3%	0.03	22%	0.216	C	C	.	.	S	Bend	trans	-145	153.4	178.9	69	0	0	0	0	109.8	P294 P295 T296 M301 I311	P294-V303 HydrophobicContact CB-CG1 3.89Å; P294-V303 HydrophobicContact CG-CG1 3.6Å; P295-V303 PolarHBondContact O-N 3.2Å; T296-V303 WeakPolarHBondContact CA-O 3.37Å; T296-V303 HydrophobicContact CG2-CG1 4.02Å; M301-V303 WeakPolarHBondContact CG-O 3.45Å; V303-I311 HydrophobicContact CB-CG1 4.32Å; V303-I311 HydrophobicContact CG1-CG1 4.18Å; V303-I311 HydrophobicContact CG2-CG1 4.21Å
304	G	97.8	Very high	97.5	Very high	23 Å²	23	39.8 Å²	39.8	24%	0.237	22%	0.222	C	C	.	.			trans	-68.7	169.4	171.2	0	0	0	0	0	113.2	R260 E306	R260-G304 PolarHBondContact NH1-O 2.99Å; R260-G304 VanDerWaalsContact NH1-O 3.16Å; G304-E306 VanDerWaalsContact C-N 3.3Å; G304-E306 PolarHBondContact O-N 3.48Å
305	D	97.8	Very high	97.3	Very high	52 Å²	52	43.9 Å²	43.9	28%	0.278	24%	0.239	S	C	.	.	S	Bend	trans	-75.7	-13	179.8	69.7	-24.9	0	0	0	113.4	K259 R260 L262	K259-D305 CarbonylContact C-O 3.47Å; K259-D305 WeakPolarHBondContact CA-O 3.37Å; K259-D305 HydrophobicContact CD-CB 4.27Å; K259-D305 WeakPolarHBondContact CD-O 3.46Å; K259-D305 WeakPolarHBondContact CD-OD2 3.22Å; K259-D305 WeakPolarHBondContact CE-OD2 3.17Å; K259-D305 IonicContact NZ-OD1 3.63Å; K259-D305 PolarHBondContact NZ-OD1 3.43Å; K259-D305 IonicContact NZ-OD2 3.63Å; K259-D305 PolarHBondContact NZ-OD2 3.44Å; R260-D305 PolarHBondContact N-O 2.93Å; L262-D305 HydrophobicContact CD2-CB 4.02Å
306	E	98.1	Very high	97.1	Very high	71 Å²	71	45.6 Å²	45.6	33%	0.332	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-80.1	117.7	-179.1	-63.2	-170.3	149.4	0	0	113.3	K259 R260 G304 K308 T309	K259-E306 HydrophobicContact CD-CG 4.21Å; K259-E306 VanDerWaalsContact NZ-CG 3.28Å; K259-E306 IonicContact NZ-OE1 3.75Å; R260-E306 VanDerWaalsContact NH1-C 3.29Å; R260-E306 PolarHBondContact NH1-O 3.49Å; G304-E306 VanDerWaalsContact C-N 3.3Å; G304-E306 PolarHBondContact O-N 3.48Å; E306-K308 VanDerWaalsContact C-N 3.27Å; E306-K308 HydrophobicContact CB-CG 4.21Å; E306-K308 PolarHBondContact O-N 3.11Å; E306-K308 IonicContact OE1-NZ 2.74Å; E306-K308 WeakPolarHBondContact OE2-CE 3.28Å; E306-K308 IonicContact OE2-NZ 3.35Å; E306-K308 PolarHBondContact OE2-NZ 3.24Å; E306-T309 PolarHBondContact O-N 3.3Å
307	L	97.3	Very high	96.9	Very high	91 Å²	91	47 Å²	47	48%	0.476	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.3	-178.3	-77	173.2	0	0	0	113.8	G258 R260 T309	G258-L307 WeakPolarHBondContact O-CB 3.32Å; G258-L307 PolarHBondContact O-N 2.88Å; R260-L307 HydrophobicContact CG-CD2 3.49Å; R260-L307 VanDerWaalsContact CG-CD2 3.49Å; R260-L307 HydrophobicContact CG-CG 4.11Å; L307-T309 PolarHBondContact O-N 3.35Å; L307-T309 VanDerWaalsContact O-N 3.14Å
308	K	97.3	Very high	96.5	Very high	161 Å²	161	52.9 Å²	52.9	70%	0.7	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.2	175.7	68.4	179.2	179	-165.4	0	113	E306	E306-K308 VanDerWaalsContact C-N 3.27Å; E306-K308 HydrophobicContact CB-CG 4.21Å; E306-K308 PolarHBondContact O-N 3.11Å; E306-K308 IonicContact OE1-NZ 2.74Å; E306-K308 WeakPolarHBondContact OE2-CE 3.28Å; E306-K308 IonicContact OE2-NZ 3.35Å; E306-K308 PolarHBondContact OE2-NZ 3.24Å
309	T	96.6	Very high	96.4	Very high	66 Å²	66	58.6 Å²	58.6	41%	0.405	30%	0.301	S	S	.	.	S	Bend	trans	-91.8	116	174.8	-54.9	0	0	0	0	107.8	R260 E306 L307	R260-T309 PolarHBondContact NH1-O 3.48Å; R260-T309 PolarHBondContact NH2-O 2.93Å; E306-T309 PolarHBondContact O-N 3.3Å; L307-T309 PolarHBondContact O-N 3.35Å; L307-T309 VanDerWaalsContact O-N 3.14Å
310	P	97.2	Very high	96.2	Very high	94 Å²	94	62.9 Å²	62.9	61%	0.61	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-70.2	161.8	178.3	30.4	-35.2	0	0	0	111.2
311	I	98.2	Very high	96.1	Very high	10 Å²	10	67 Å²	67	5%	0.051	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-71.5	146	168	-53.9	174.4	0	0	0	108.2	P294 V303 S313 D354 Q355	P294-I311 HydrophobicContact CB-CD1 4.35Å; P294-I311 HydrophobicContact CG-CD1 3.82Å; V303-I311 HydrophobicContact CB-CG1 4.32Å; V303-I311 HydrophobicContact CG1-CG1 4.18Å; V303-I311 HydrophobicContact CG2-CG1 4.21Å; I311-S313 PolarHBondContact O-N 2.89Å; I311-D354 HydrophobicContact CD1-CB 4.31Å; I311-Q355 HydrophobicContact CD1-CB 4.07Å; I311-Q355 VanDerWaalsContact CD1-O 3.27Å; I311-Q355 WeakPolarHBondContact CD1-O 3.44Å; I311-Q355 HydrophobicContact CG2-CB 3.94Å
312	R	97.5	Very high	95.9	Very high	16 Å²	16	65.1 Å²	65.1	6%	0.06	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-53.3	138.6	-178.1	74.9	-72.1	173.2	-85.7	9.1	112.7	D316 I317 A322 Q355 E360 D599	R312-D316 HydrophobicContact CB-CB 4.45Å; R312-I317 HydrophobicContact CG-CD1 4.22Å; R312-I317 HydrophobicContact CG-CG1 4.3Å; R312-A322 HydrophobicContact CB-CB 3.96Å; R312-A322 HydrophobicContact CG-CB 4.36Å; R312-Q355 VanDerWaalsContact NH1-CD 3.35Å; R312-Q355 PolarHBondContact O-NE2 3.04Å; R312-E360 IonicContact CZ-OE1 3.9Å; R312-E360 IonicContact CZ-OE2 3.58Å; R312-E360 IonicContact NE-OE1 3.09Å; R312-E360 PolarHBondContact NE-OE1 3.47Å; R312-E360 IonicContact NE-OE2 2.67Å; R312-E360 PolarHBondContact NE-OE2 2.8Å; R312-E360 IonicContact NH2-OE1 2.76Å; R312-E360 IonicContact NH2-OE2 3.76Å; R312-E360 PolarHBondContact NH2-OE2 2.87Å; R312-D599 IonicContact CZ-OD1 2.67Å; R312-D599 IonicContact NH1-OD1 3.69Å; R312-D599 IonicContact NH2-OD1 2.81Å; R312-D599 PolarHBondContact NH2-OD1 3.08Å
313	S	97.2	Very high	95.8	Very high	41 Å²	41	75.2 Å²	75.2	29%	0.287	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-103.6	169.3	168.5	68.7	0	0	0	0	111.6	I311 H315 D316 I317	I311-S313 PolarHBondContact O-N 2.89Å; S313-H315 PolarHBondContact O-N 2.86Å; S313-H315 PolarHBondContact OG-N 3.47Å; S313-D316 WeakPolarHBondContact CB-OD2 3.23Å; S313-D316 PolarHBondContact N-OD2 2.91Å; S313-D316 PolarHBondContact O-N 3.17Å; S313-D316 VanDerWaalsContact O-N 3.13Å; S313-D316 VanDerWaalsContact OG-CG 3.31Å; S313-D316 PolarHBondContact OG-N 2.93Å; S313-D316 VanDerWaalsContact OG-N 3.12Å; S313-D316 PolarHBondContact OG-OD2 3.31Å; S313-I317 WeakPolarHBondContact O-CG1 3.44Å; S313-I317 PolarHBondContact O-N 3.39Å
314	W	94.1	Very high	95.7	Very high	44 Å²	44	77.9 Å²	77.9	17%	0.167	39%	0.386	C	S	.	.	H	α-helix	trans	-57.8	-36.6	171.3	-80.2	119.9	0	0	0	112.7	I317 Q318 L359 V593 S597 P598 S601	W314-I317 HydrophobicContact CE3-CD1 4Å; W314-I317 HydrophobicContact CZ3-CD1 4.23Å; W314-I317 PolarHBondContact O-N 3.45Å; W314-Q318 WeakPolarHBondContact O-CG 3.35Å; W314-Q318 PolarHBondContact O-N 2.91Å; W314-L359 HydrophobicContact CH2-CD1 4.44Å; W314-V593 HydrophobicContact CB-CG2 4.34Å; W314-V593 HydrophobicContact CD2-CB 4.02Å; W314-V593 HydrophobicContact CD2-CG2 3.74Å; W314-V593 HydrophobicContact CE3-CG2 4.24Å; W314-V593 HydrophobicContact CG-CB 4.09Å; W314-V593 HydrophobicContact CG-CG2 3.78Å; W314-V593 HydrophobicContact CZ2-CB 4.2Å; W314-V593 HydrophobicContact CZ2-CG1 3.94Å; W314-S597 PolarHBondContact NE1-O 2.91Å; W314-P598 HydrophobicContact CD2-CB 4.41Å; W314-P598 HydrophobicContact CD2-CG 4.05Å; W314-P598 HydrophobicContact CG-CG 4.04Å; W314-P598 HydrophobicContact CZ2-CB 4.23Å; W314-S601 PolarHBondContact NE1-OG 3.22Å; W314-S601 VanDerWaalsContact NE1-OG 3.07Å
315	H	93.6	Very high	95.6	Very high	101 Å²	101	78.1 Å²	78.1	47%	0.468	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-41.6	176.2	175.6	-54.7	0	0	0	111	S313 I317 Q318 K319	S313-H315 PolarHBondContact O-N 2.86Å; S313-H315 PolarHBondContact OG-N 3.47Å; H315-I317 VanDerWaalsContact C-N 3.29Å; H315-I317 PolarHBondContact O-N 3.47Å; H315-Q318 PolarHBondContact O-N 2.89Å; H315-K319 WeakPolarHBondContact CE1-CD 3.35Å; H315-K319 WeakPolarHBondContact CE1-CE 3.47Å; H315-K319 PolarHBondContact CE1-NZ 3.39Å; H315-K319 VanDerWaalsContact NE2-CE 3.32Å; H315-K319 WeakPolarHBondContact NE2-CE 3.11Å; H315-K319 PolarHBondContact NE2-NZ 3.04Å; H315-K319 PolarHBondContact O-N 2.96Å
316	D	95.3	Very high	95.6	Very high	35 Å²	35	82.5 Å²	82.5	19%	0.187	40%	0.398	C	S	.	.	H	α-helix	trans	-62.7	-38.5	175.4	-63.8	-56.3	0	0	0	111.7	R312 S313 K319 D320 N321	R312-D316 HydrophobicContact CB-CB 4.45Å; S313-D316 WeakPolarHBondContact CB-OD2 3.23Å; S313-D316 PolarHBondContact N-OD2 2.91Å; S313-D316 PolarHBondContact O-N 3.17Å; S313-D316 VanDerWaalsContact O-N 3.13Å; S313-D316 VanDerWaalsContact OG-CG 3.31Å; S313-D316 PolarHBondContact OG-N 2.93Å; S313-D316 VanDerWaalsContact OG-N 3.12Å; S313-D316 PolarHBondContact OG-OD2 3.31Å; D316-K319 PolarHBondContact O-N 3.47Å; D316-D320 PolarHBondContact O-N 2.93Å; D316-N321 HydrophobicContact CB-CB 4.28Å; D316-N321 WeakPolarHBondContact O-CA 3.46Å; D316-N321 PolarHBondContact O-N 3.43Å; D316-N321 PolarHBondContact OD1-ND2 3.3Å
317	I	93.8	Very high	95.6	Very high	36 Å²	36	87.3 Å²	87.3	19%	0.185	42%	0.418	C	S	.	.	H	α-helix	trans	-65	-46.2	177.8	-64	170.4	0	0	0	110.6	R312 S313 W314 H315 K319 D320 A322 L325 L359 P598	R312-I317 HydrophobicContact CG-CD1 4.22Å; R312-I317 HydrophobicContact CG-CG1 4.3Å; S313-I317 WeakPolarHBondContact O-CG1 3.44Å; S313-I317 PolarHBondContact O-N 3.39Å; W314-I317 HydrophobicContact CE3-CD1 4Å; W314-I317 HydrophobicContact CZ3-CD1 4.23Å; W314-I317 PolarHBondContact O-N 3.45Å; H315-I317 VanDerWaalsContact C-N 3.29Å; H315-I317 PolarHBondContact O-N 3.47Å; I317-K319 VanDerWaalsContact C-N 3.29Å; I317-K319 PolarHBondContact O-N 3.39Å; I317-D320 PolarHBondContact O-N 3.08Å; I317-D320 VanDerWaalsContact O-N 3.07Å; I317-A322 HydrophobicContact CG1-CB 3.89Å; I317-L325 HydrophobicContact CB-CD2 4.46Å; I317-L325 HydrophobicContact CD1-CD2 3.98Å; I317-L325 HydrophobicContact CG1-CD2 3.82Å; I317-L325 HydrophobicContact CG2-CD2 3.9Å; I317-L359 HydrophobicContact CD1-CD2 3.56Å; I317-P598 HydrophobicContact CD1-CB 4.14Å; I317-P598 HydrophobicContact CD1-CG 3.82Å
318	Q	90.1	Very high	95.6	Very high	149 Å²	149	83.1 Å²	83.1	70%	0.696	40%	0.396	S	S	*	.	H	α-helix	trans	-62.8	-34.6	178.6	-74.3	174.9	-10	0	0	112.8	W314 H315 D320	W314-Q318 WeakPolarHBondContact O-CG 3.35Å; W314-Q318 PolarHBondContact O-N 2.91Å; H315-Q318 PolarHBondContact O-N 2.89Å; Q318-D320 VanDerWaalsContact C-N 3.27Å; Q318-D320 PolarHBondContact O-N 2.75Å
319	K	93.4	Very high	95.7	Very high	146 Å²	146	76.8 Å²	76.8	64%	0.635	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	11.8	175.9	-63.5	-166.1	-177.9	169.9	0	113.7	H315 D316 I317 N321	H315-K319 WeakPolarHBondContact CE1-CD 3.35Å; H315-K319 WeakPolarHBondContact CE1-CE 3.47Å; H315-K319 PolarHBondContact CE1-NZ 3.39Å; H315-K319 VanDerWaalsContact NE2-CE 3.32Å; H315-K319 WeakPolarHBondContact NE2-CE 3.11Å; H315-K319 PolarHBondContact NE2-NZ 3.04Å; H315-K319 PolarHBondContact O-N 2.96Å; D316-K319 PolarHBondContact O-N 3.47Å; I317-K319 VanDerWaalsContact C-N 3.29Å; I317-K319 PolarHBondContact O-N 3.39Å; K319-N321 PolarHBondContact O-N 3.27Å; K319-N321 VanDerWaalsContact O-N 3.14Å
320	D	92.5	Very high	95.7	Very high	114 Å²	114	81 Å²	81	61%	0.61	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	31.6	-176.6	-156.7	37.8	0	0	0	113.6	D316 I317 Q318 K326	D316-D320 PolarHBondContact O-N 2.93Å; I317-D320 PolarHBondContact O-N 3.08Å; I317-D320 VanDerWaalsContact O-N 3.07Å; Q318-D320 VanDerWaalsContact C-N 3.27Å; Q318-D320 PolarHBondContact O-N 2.75Å; D320-K326 IonicContact OD1-NZ 2.96Å; D320-K326 PolarHBondContact OD1-NZ 3.4Å; D320-K326 IonicContact OD2-NZ 3.37Å
321	N	94.8	Very high	95.8	Very high	92 Å²	92	78 Å²	78	49%	0.492	36%	0.361	S	S	.	.			trans	-93.9	3.9	178.6	-167.8	34.8	0	0	0	112.8	D316 K319 R323	D316-N321 HydrophobicContact CB-CB 4.28Å; D316-N321 WeakPolarHBondContact O-CA 3.46Å; D316-N321 PolarHBondContact O-N 3.43Å; D316-N321 PolarHBondContact OD1-ND2 3.3Å; K319-N321 PolarHBondContact O-N 3.27Å; K319-N321 VanDerWaalsContact O-N 3.14Å; N321-R323 PolarHBondContact O-N 3.36Å
322	A	95.1	Very high	95.8	Very high	16 Å²	16	77.5 Å²	77.5	13%	0.132	36%	0.358	C	S	.	.			trans	-89.1	77.1	178.8	0	0	0	0	0	112	R312 I317 H324 L325	R312-A322 HydrophobicContact CB-CB 3.96Å; R312-A322 HydrophobicContact CG-CB 4.36Å; I317-A322 HydrophobicContact CG1-CB 3.89Å; A322-H324 VanDerWaalsContact C-N 3.25Å; A322-H324 PolarHBondContact O-N 2.81Å; A322-L325 HydrophobicContact CB-CB 3.96Å; A322-L325 HydrophobicContact CB-CD2 4.28Å; A322-L325 PolarHBondContact O-N 3.32Å
323	R	95.3	Very high	95.8	Very high	217 Å²	217	80.9 Å²	80.9	82%	0.819	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-33	-170.5	-61.4	-178.7	-176.8	-177.9	0.2	115.8	N321	N321-R323 PolarHBondContact O-N 3.36Å
324	H	96.9	Very high	95.9	Very high	61 Å²	61	81.5 Å²	81.5	28%	0.282	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-22.6	-173.3	-64.2	-55.9	0	0	0	114.1	M301 V302 A322 K326 K327 A328	M301-H324 VanDerWaalsContact CE-CE1 3.43Å; M301-H324 WeakPolarHBondContact CE-CE1 3.49Å; M301-H324 WeakPolarHBondContact O-CB 3.31Å; V302-H324 WeakPolarHBondContact O-CB 3.35Å; V302-H324 PolarHBondContact O-CD2 2.81Å; A322-H324 VanDerWaalsContact C-N 3.25Å; A322-H324 PolarHBondContact O-N 2.81Å; H324-K326 PolarHBondContact O-N 2.81Å; H324-K327 PolarHBondContact O-N 3.4Å; H324-A328 WeakPolarHBondContact O-CB 3.4Å; H324-A328 PolarHBondContact O-N 2.85Å
325	L	96.8	Very high	96.1	Very high	27 Å²	27	79.5 Å²	79.5	14%	0.141	38%	0.375	C	S	.	.	H	α-helix	trans	-52.3	-61.3	-166.5	174.9	60.9	0	0	0	112.6	I317 A322 K327 A328 T329 L359 E360	I317-L325 HydrophobicContact CB-CD2 4.46Å; I317-L325 HydrophobicContact CD1-CD2 3.98Å; I317-L325 HydrophobicContact CG1-CD2 3.82Å; I317-L325 HydrophobicContact CG2-CD2 3.9Å; A322-L325 HydrophobicContact CB-CB 3.96Å; A322-L325 HydrophobicContact CB-CD2 4.28Å; A322-L325 PolarHBondContact O-N 3.32Å; L325-K327 VanDerWaalsContact C-N 3.28Å; L325-K327 PolarHBondContact O-N 2.86Å; L325-A328 PolarHBondContact O-N 2.78Å; L325-A328 VanDerWaalsContact O-N 3.15Å; L325-T329 WeakPolarHBondContact O-CB 3.09Å; L325-T329 PolarHBondContact O-N 2.95Å; L325-T329 PolarHBondContact O-OG1 2.84Å; L325-T329 VanDerWaalsContact O-OG1 3.05Å; L325-L359 HydrophobicContact CD1-CD2 3.53Å; L325-L359 HydrophobicContact CD1-CG 4.04Å; L325-L359 HydrophobicContact CD2-CD2 4.28Å; L325-E360 HydrophobicContact CD1-CG 3.93Å; L325-E360 WeakPolarHBondContact CD1-OE1 3.46Å
326	K	96.6	Very high	96.3	Very high	145 Å²	145	74.7 Å²	74.7	63%	0.63	35%	0.353	S	S	*	.	H	α-helix	trans	-57.2	-39.5	-175	-68.9	171	176.7	154.7	0	112.7	D320 H324 K330	D320-K326 IonicContact OD1-NZ 2.96Å; D320-K326 PolarHBondContact OD1-NZ 3.4Å; D320-K326 IonicContact OD2-NZ 3.37Å; H324-K326 PolarHBondContact O-N 2.81Å; K326-K330 WeakPolarHBondContact O-CB 3.34Å; K326-K330 PolarHBondContact O-N 2.87Å
327	K	97.8	Very high	96.4	Very high	172 Å²	172	76.7 Å²	76.7	75%	0.748	36%	0.363	S	S	*	.	H	α-helix	trans	-73.1	-40.5	-179.4	-173.1	179	179	-178.2	0	111.6	H324 L325 Y331	H324-K327 PolarHBondContact O-N 3.4Å; L325-K327 VanDerWaalsContact C-N 3.28Å; L325-K327 PolarHBondContact O-N 2.86Å; K327-Y331 PolarHBondContact O-N 2.98Å
328	A	98.1	Very high	96.6	Very high	2 Å²	2	78 Å²	78	2%	0.017	37%	0.366	C	S	.	.	H	α-helix	trans	-70.4	-47.5	179.2	0	0	0	0	0	111.7	H324 L325 K330 Y331 Y332 E360	H324-A328 WeakPolarHBondContact O-CB 3.4Å; H324-A328 PolarHBondContact O-N 2.85Å; L325-A328 PolarHBondContact O-N 2.78Å; L325-A328 VanDerWaalsContact O-N 3.15Å; A328-K330 PolarHBondContact O-N 3.3Å; A328-Y331 WeakPolarHBondContact O-CB 3.36Å; A328-Y331 PolarHBondContact O-N 2.94Å; A328-Y332 HydrophobicContact CB-CE2 4.44Å; A328-Y332 WeakPolarHBondContact O-CD2 3.46Å; A328-Y332 PolarHBondContact O-N 2.53Å; A328-E360 HydrophobicContact CB-CB 4.1Å; A328-E360 HydrophobicContact CB-CG 3.67Å
329	T	98.1	Very high	96.9	Very high	29 Å²	29	70.9 Å²	70.9	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-54.5	-50.9	176.1	-57.9	0	0	0	0	111.3	L325 Y331 Y332 E333	L325-T329 WeakPolarHBondContact O-CB 3.09Å; L325-T329 PolarHBondContact O-N 2.95Å; L325-T329 PolarHBondContact O-OG1 2.84Å; L325-T329 VanDerWaalsContact O-OG1 3.05Å; T329-Y331 PolarHBondContact O-N 2.82Å; T329-Y332 PolarHBondContact O-N 2.85Å; T329-E333 HydrophobicContact CG2-CG 4.33Å; T329-E333 WeakPolarHBondContact CG2-OE1 3.23Å; T329-E333 WeakPolarHBondContact O-CB 3.32Å; T329-E333 WeakPolarHBondContact O-CG 3.47Å; T329-E333 PolarHBondContact O-N 3.14Å
330	K	98.2	Very high	97.1	Very high	155 Å²	155	64 Å²	64	67%	0.674	30%	0.303	S	S	*	.	H	α-helix	trans	-58.8	-35.9	178	-175.1	176.9	-177.8	176.8	0	112.9	K326 A328 A334	K326-K330 WeakPolarHBondContact O-CB 3.34Å; K326-K330 PolarHBondContact O-N 2.87Å; A328-K330 PolarHBondContact O-N 3.3Å; K330-A334 PolarHBondContact O-N 2.78Å
331	Y	98.4	Very high	97.2	Very high	29 Å²	29	63.3 Å²	63.3	11%	0.114	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-48.5	178.5	-177.6	-103.5	0	0	0	111.5	D194 G266 S270 P299 K327 A328 T329 A334 L335	D194-Y331 WeakPolarHBondContact OD1-CE2 3.25Å; D194-Y331 PolarHBondContact OD1-OH 2.98Å; D194-Y331 WeakPolarHBondContact OD2-CE2 3.28Å; G266-Y331 PolarHBondContact O-OH 3.45Å; S270-Y331 WeakPolarHBondContact CB-OH 3.42Å; P299-Y331 HydrophobicContact CB-CD1 4.18Å; P299-Y331 HydrophobicContact CB-CD2 3.83Å; P299-Y331 HydrophobicContact CB-CE1 3.81Å; P299-Y331 HydrophobicContact CB-CE2 3.43Å; P299-Y331 VanDerWaalsContact CB-CE2 3.43Å; P299-Y331 HydrophobicContact CB-CG 4.18Å; P299-Y331 VanDerWaalsContact CB-CZ 3.4Å; P299-Y331 HydrophobicContact CG-CE2 4.4Å; K327-Y331 PolarHBondContact O-N 2.98Å; A328-Y331 WeakPolarHBondContact O-CB 3.36Å; A328-Y331 PolarHBondContact O-N 2.94Å; T329-Y331 PolarHBondContact O-N 2.82Å; Y331-A334 WeakPolarHBondContact O-CB 3.47Å; Y331-A334 PolarHBondContact O-N 3.09Å; Y331-L335 HydrophobicContact CD1-CD1 4.21Å; Y331-L335 HydrophobicContact CE1-CD1 3.66Å; Y331-L335 HydrophobicContact CE1-CG 4.37Å; Y331-L335 PolarHBondContact O-N 3.37Å
332	Y	98.6	Very high	97.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-33.4	178.6	-68.5	-63.2	0	0	0	112.7	G266 L269 P295 G300 A328 T329 A334 L335 A336 E360 M361 L364	G266-Y332 PolarHBondContact N-OH 2.65Å; L269-Y332 HydrophobicContact CD1-CD1 4.21Å; L269-Y332 HydrophobicContact CD1-CE1 3.86Å; P295-Y332 WeakPolarHBondContact CG-OH 3.47Å; G300-Y332 WeakPolarHBondContact O-CE2 3.39Å; G300-Y332 PolarHBondContact O-OH 3.12Å; A328-Y332 HydrophobicContact CB-CE2 4.44Å; A328-Y332 WeakPolarHBondContact O-CD2 3.46Å; A328-Y332 PolarHBondContact O-N 2.53Å; T329-Y332 PolarHBondContact O-N 2.85Å; Y332-A334 VanDerWaalsContact C-N 3.31Å; Y332-A334 PolarHBondContact O-N 3.01Å; Y332-L335 HydrophobicContact CD1-CD1 4.28Å; Y332-L335 PolarHBondContact O-N 3.27Å; Y332-A336 WeakPolarHBondContact O-CB 3.19Å; Y332-A336 PolarHBondContact O-N 2.78Å; Y332-E360 WeakPolarHBondContact CB-O 3.46Å; Y332-E360 HydrophobicContact CD2-CB 3.91Å; Y332-E360 HydrophobicContact CE2-CB 4.15Å; Y332-M361 HydrophobicContact CD1-CG 3.86Å; Y332-M361 HydrophobicContact CD2-CG 3.65Å; Y332-M361 HydrophobicContact CE1-CG 3.71Å; Y332-M361 HydrophobicContact CE1-SD 3.98Å; Y332-M361 HydrophobicContact CE2-CG 3.51Å; Y332-M361 HydrophobicContact CE2-SD 4.3Å; Y332-M361 HydrophobicContact CG-CG 3.82Å; Y332-L364 HydrophobicContact CD1-CD1 3.86Å; Y332-L364 HydrophobicContact CG-CD1 4.46Å
333	E	98.2	Very high	97.2	Very high	88 Å²	88	59.5 Å²	59.5	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-40.2	172	-76.6	173.4	173.5	0	0	111.7	T329 L335 A336 N337 C363	T329-E333 HydrophobicContact CG2-CG 4.33Å; T329-E333 WeakPolarHBondContact CG2-OE1 3.23Å; T329-E333 WeakPolarHBondContact O-CB 3.32Å; T329-E333 WeakPolarHBondContact O-CG 3.47Å; T329-E333 PolarHBondContact O-N 3.14Å; E333-L335 VanDerWaalsContact C-N 3.34Å; E333-A336 PolarHBondContact O-N 3.22Å; E333-N337 WeakPolarHBondContact O-CB 3.49Å; E333-N337 PolarHBondContact O-N 2.72Å; E333-N337 PolarHBondContact O-ND2 2.8Å; E333-C363 VanDerWaalsContact CA-SG 3.59Å; E333-C363 HydrophobicContact CG-CB 4.05Å; E333-C363 PolarHBondContact N-SG 2.86Å; E333-C363 VanDerWaalsContact N-SG 3.35Å
334	A	98.2	Very high	97.4	Very high	53 Å²	53	49.2 Å²	49.2	44%	0.438	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-39.9	175.9	0	0	0	0	0	111.9	K330 Y331 Y332 R338	K330-A334 PolarHBondContact O-N 2.78Å; Y331-A334 WeakPolarHBondContact O-CB 3.47Å; Y331-A334 PolarHBondContact O-N 3.09Å; Y332-A334 VanDerWaalsContact C-N 3.31Å; Y332-A334 PolarHBondContact O-N 3.01Å; A334-R338 WeakPolarHBondContact O-CB 3.18Å; A334-R338 WeakPolarHBondContact O-CG 3.27Å; A334-R338 PolarHBondContact O-N 3.47Å; A334-R338 VanDerWaalsContact O-N 3.16Å
335	L	98.1	Very high	97.4	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-42.2	174.2	-66.3	-177.6	0	0	0	112	L269 Y331 Y332 E333 N337 R338 S339 L364	L269-L335 HydrophobicContact CB-CD1 3.97Å; Y331-L335 HydrophobicContact CD1-CD1 4.21Å; Y331-L335 HydrophobicContact CE1-CD1 3.66Å; Y331-L335 HydrophobicContact CE1-CG 4.37Å; Y331-L335 PolarHBondContact O-N 3.37Å; Y332-L335 HydrophobicContact CD1-CD1 4.28Å; Y332-L335 PolarHBondContact O-N 3.27Å; E333-L335 VanDerWaalsContact C-N 3.34Å; L335-N337 PolarHBondContact O-N 2.76Å; L335-R338 VanDerWaalsContact CD2-NH1 3.3Å; L335-R338 WeakPolarHBondContact O-CB 3.43Å; L335-R338 PolarHBondContact O-N 3.14Å; L335-S339 PolarHBondContact O-N 2.53Å; L335-S339 PolarHBondContact O-OG 2.66Å; L335-L364 HydrophobicContact CB-CD2 3.93Å
336	A	98.3	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-45.2	179.2	0	0	0	0	0	111.9	Y332 E333 R338 S339 A340 C363 L364 L367	Y332-A336 WeakPolarHBondContact O-CB 3.19Å; Y332-A336 PolarHBondContact O-N 2.78Å; E333-A336 PolarHBondContact O-N 3.22Å; A336-R338 PolarHBondContact O-N 3.14Å; A336-S339 PolarHBondContact O-N 3.47Å; A336-A340 VanDerWaalsContact O-CB 3.3Å; A336-A340 WeakPolarHBondContact O-CB 3.38Å; A336-A340 PolarHBondContact O-N 3.05Å; A336-C363 HydrophobicContact CB-CB 4.19Å; A336-C363 WeakPolarHBondContact CB-O 3.41Å; A336-L364 HydrophobicContact CB-CD2 4.04Å; A336-L364 HydrophobicContact CB-CG 4.35Å; A336-L367 HydrophobicContact CB-CD1 3.89Å
337	N	97.8	Very high	97.6	Very high	77 Å²	77	38.1 Å²	38.1	41%	0.412	19%	0.191	S	C	.	.	H	α-helix	trans	-62.5	-42.3	175.5	-76.9	-61.3	0	0	0	111.9	E333 L335 A340 V341	E333-N337 WeakPolarHBondContact O-CB 3.49Å; E333-N337 PolarHBondContact O-N 2.72Å; E333-N337 PolarHBondContact O-ND2 2.8Å; L335-N337 PolarHBondContact O-N 2.76Å; N337-A340 PolarHBondContact O-N 3.49Å; N337-V341 WeakPolarHBondContact O-CB 3.5Å; N337-V341 VanDerWaalsContact O-CG2 3.26Å; N337-V341 WeakPolarHBondContact O-CG2 3.48Å; N337-V341 PolarHBondContact O-N 2.7Å
338	R	97	Very high	97.7	Very high	62 Å²	62	29.9 Å²	29.9	23%	0.234	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-49.9	174.7	-86.6	175.9	62.2	-156.3	-2.4	112.3	V273 E277 A334 L335 A336 A340 N342	V273-R338 HydrophobicContact CG1-CB 4.04Å; E277-R338 VanDerWaalsContact OE1-CB 3.27Å; E277-R338 WeakPolarHBondContact OE1-CB 3.44Å; E277-R338 IonicContact OE1-CZ 3.95Å; E277-R338 IonicContact OE1-NE 2.7Å; E277-R338 PolarHBondContact OE1-NE 2.79Å; E277-R338 IonicContact OE1-NH2 3.44Å; E277-R338 IonicContact OE2-CZ 3.42Å; E277-R338 IonicContact OE2-NE 3.7Å; E277-R338 PolarHBondContact OE2-NE 2.8Å; E277-R338 IonicContact OE2-NH2 3.96Å; E277-R338 PolarHBondContact OE2-NH2 2.82Å; A334-R338 WeakPolarHBondContact O-CB 3.18Å; A334-R338 WeakPolarHBondContact O-CG 3.27Å; A334-R338 PolarHBondContact O-N 3.47Å; A334-R338 VanDerWaalsContact O-N 3.16Å; L335-R338 VanDerWaalsContact CD2-NH1 3.3Å; L335-R338 WeakPolarHBondContact O-CB 3.43Å; L335-R338 PolarHBondContact O-N 3.14Å; A336-R338 PolarHBondContact O-N 3.14Å; R338-A340 PolarHBondContact O-N 3Å; R338-N342 PolarHBondContact O-N 2.84Å; R338-N342 PolarHBondContact O-ND2 3.5Å
339	S	97.3	Very high	97.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.2	-46	174.9	-61.7	0	0	0	0	111.6	V273 L335 A336 V341 N342 G343 H344	V273-S339 WeakPolarHBondContact CG2-OG 3.24Å; L335-S339 PolarHBondContact O-N 2.53Å; L335-S339 PolarHBondContact O-OG 2.66Å; A336-S339 PolarHBondContact O-N 3.47Å; S339-V341 PolarHBondContact O-N 3.02Å; S339-N342 CarbonylContact O-C 3.46Å; S339-N342 PolarHBondContact O-N 2.91Å; S339-G343 PolarHBondContact O-N 2.81Å; S339-H344 PolarHBondContact O-N 3.43Å
340	A	96.9	Very high	97.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-44.3	-177.5	0	0	0	0	0	112.7	A336 N337 R338 N342 G343 T368 V425 K448 C450	A336-A340 VanDerWaalsContact O-CB 3.3Å; A336-A340 WeakPolarHBondContact O-CB 3.38Å; A336-A340 PolarHBondContact O-N 3.05Å; N337-A340 PolarHBondContact O-N 3.49Å; R338-A340 PolarHBondContact O-N 3Å; A340-N342 PolarHBondContact O-N 2.9Å; A340-G343 PolarHBondContact O-N 2.97Å; A340-T368 HydrophobicContact CB-CG2 4.18Å; A340-V425 HydrophobicContact CB-CB 4.41Å; A340-V425 HydrophobicContact CB-CG2 3.66Å; A340-K448 WeakPolarHBondContact O-CD 3.41Å; A340-K448 PolarHBondContact O-NZ 3.44Å; A340-C450 VanDerWaalsContact CA-SG 3.55Å; A340-C450 PolarHBondContact O-SG 3.16Å
341	V	95.5	Very high	97.7	Very high	101 Å²	101	21.2 Å²	21.2	61%	0.612	12%	0.116	S	C	*	.	H	α-helix	trans	-56	-42.6	175	167.2	0	0	0	0	110.5	N282 N337 S339 G343 K448	N282-V341 PolarHBondContact OD1-O 3.06Å; N337-V341 WeakPolarHBondContact O-CB 3.5Å; N337-V341 VanDerWaalsContact O-CG2 3.26Å; N337-V341 WeakPolarHBondContact O-CG2 3.48Å; N337-V341 PolarHBondContact O-N 2.7Å; S339-V341 PolarHBondContact O-N 3.02Å; V341-G343 VanDerWaalsContact C-N 3.27Å; V341-G343 PolarHBondContact O-N 2.8Å; V341-K448 PolarHBondContact O-NZ 2.86Å
342	N	94.6	Very high	97.7	Very high	26 Å²	26	20.7 Å²	20.7	14%	0.139	12%	0.118	C	C	.	.	H	α-helix	trans	-81.2	-1.4	178.8	-69.3	-78.6	0	0	0	114.3	E277 N282 R338 S339 A340 H344	E277-N342 HydrophobicContact CG-CB 4.48Å; E277-N342 WeakPolarHBondContact CG-ND2 3.33Å; E277-N342 PolarHBondContact OE1-ND2 2.89Å; N282-N342 WeakPolarHBondContact CA-O 3.36Å; N282-N342 PolarHBondContact N-O 2.8Å; R338-N342 PolarHBondContact O-N 2.84Å; R338-N342 PolarHBondContact O-ND2 3.5Å; S339-N342 CarbonylContact O-C 3.46Å; S339-N342 PolarHBondContact O-N 2.91Å; A340-N342 PolarHBondContact O-N 2.9Å; N342-H344 VanDerWaalsContact C-N 3.33Å; N342-H344 PolarHBondContact O-CD2 3.18Å; N342-H344 PolarHBondContact O-NE2 3.35Å
343	G	95.1	Very high	97.6	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	22.4	178.4	0	0	0	0	0	114.1	S339 A340 V341	S339-G343 PolarHBondContact O-N 2.81Å; A340-G343 PolarHBondContact O-N 2.97Å; V341-G343 VanDerWaalsContact C-N 3.27Å; V341-G343 PolarHBondContact O-N 2.8Å
344	H	97.9	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.4	178.3	-52.5	151	0	0	0	110.4	L276 F280 T283 A285 S339 N342 T368	L276-H344 VanDerWaalsContact CB-CE1 3.43Å; L276-H344 WeakPolarHBondContact CB-CE1 3.49Å; L276-H344 PolarHBondContact O-CE1 3.26Å; F280-H344 PolarHBondContact O-NE2 2.88Å; T283-H344 PolarHBondContact O-CD2 2.94Å; T283-H344 VanDerWaalsContact O-CD2 3.32Å; A285-H344 HydrophobicContact CB-CB 4.34Å; S339-H344 PolarHBondContact O-N 3.43Å; N342-H344 VanDerWaalsContact C-N 3.33Å; N342-H344 PolarHBondContact O-CD2 3.18Å; N342-H344 PolarHBondContact O-NE2 3.35Å; H344-T368 WeakPolarHBondContact O-CB 3.34Å; H344-T368 VanDerWaalsContact O-CG2 3.29Å; H344-T368 WeakPolarHBondContact O-CG2 3.4Å
345	S	98.1	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	146.2	175.9	60.3	0	0	0	0	111.9	A285 R286 V287 T368 S451	A285-S345 PolarHBondContact O-N 2.9Å; A285-S345 PolarHBondContact O-OG 2.77Å; R286-S345 WeakPolarHBondContact CA-OG 3.47Å; V287-S345 PolarHBondContact N-O 2.67Å; S345-T368 WeakPolarHBondContact CA-OG1 3.25Å; S345-S451 VanDerWaalsContact CB-CB 3.48Å
346	V	98.8	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	113.7	176	-174.2	0	0	0	0	109.7	L269 V287 L364 S365 T368 G370	L269-V346 HydrophobicContact CD2-CG1 4.24Å; V287-V346 HydrophobicContact CB-CG1 4.48Å; V287-V346 HydrophobicContact CB-CG2 4.24Å; V287-V346 CarbonylContact O-C 3.43Å; V287-V346 WeakPolarHBondContact O-CA 3.27Å; V346-L364 HydrophobicContact CB-CB 4.01Å; V346-L364 HydrophobicContact CG1-CB 3.95Å; V346-L364 HydrophobicContact CG1-CD1 4.44Å; V346-L364 HydrophobicContact CG1-CD2 4.42Å; V346-L364 HydrophobicContact CG2-CD2 4.33Å; V346-S365 WeakPolarHBondContact O-CA 3.36Å; V346-S365 WeakPolarHBondContact O-CB 3.16Å; V346-S365 PolarHBondContact O-OG 2.84Å; V346-T368 PolarHBondContact N-OG1 2.97Å; V346-G370 WeakPolarHBondContact O-CA 3.3Å
347	D	98.8	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	147.5	169.5	-57.4	-27.8	0	0	0	110.3	R286 V287 L289 Y349 G370 H371	R286-D347 IonicContact CZ-OD1 3.47Å; R286-D347 IonicContact CZ-OD2 3.65Å; R286-D347 IonicContact NE-OD1 2.92Å; R286-D347 PolarHBondContact NE-OD1 3.04Å; R286-D347 IonicContact NE-OD2 2.76Å; R286-D347 PolarHBondContact NE-OD2 3.24Å; R286-D347 IonicContact NH2-OD1 3.32Å; R286-D347 PolarHBondContact NH2-OD1 3.31Å; R286-D347 IonicContact NH2-OD2 3.43Å; R286-D347 PolarHBondContact NH2-OD2 3.06Å; V287-D347 PolarHBondContact O-N 3.34Å; L289-D347 VanDerWaalsContact CB-O 3.32Å; L289-D347 WeakPolarHBondContact CB-O 3.28Å; L289-D347 PolarHBondContact N-O 3.17Å; D347-Y349 HydrophobicContact CB-CD2 4.2Å; D347-Y349 HydrophobicContact CB-CE2 3.41Å; D347-Y349 VanDerWaalsContact CB-CE2 3.41Å; D347-Y349 PolarHBondContact OD2-OH 2.74Å; D347-G370 WeakPolarHBondContact OD1-CA 3.41Å; D347-H371 CarbonylContact C-O 3.58Å; D347-H371 VanDerWaalsContact CA-O 3.26Å; D347-H371 WeakPolarHBondContact CA-O 3.29Å; D347-H371 PolarHBondContact OD1-N 3.36Å
348	I	98.9	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.8	175	-55.4	169.1	0	0	0	108.7	L289 I291 A350 L358 M361 L364 H371 I372 V373	L289-I348 HydrophobicContact CD2-CG1 4.29Å; L289-I348 HydrophobicContact CD2-CG2 4.32Å; I291-I348 HydrophobicContact CD1-CG2 4.07Å; I291-I348 HydrophobicContact CG1-CG2 4.49Å; I348-A350 HydrophobicContact CG2-CB 4.34Å; I348-L358 HydrophobicContact CB-CD2 4.43Å; I348-L358 HydrophobicContact CG2-CD2 3.57Å; I348-M361 HydrophobicContact CD1-CB 3.74Å; I348-L364 HydrophobicContact CD1-CB 4.38Å; I348-L364 HydrophobicContact CD1-CD1 4.33Å; I348-H371 PolarHBondContact N-O 3.11Å; I348-I372 WeakPolarHBondContact O-CA 3.43Å; I348-V373 PolarHBondContact O-N 3.13Å
349	Y	98.8	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	99.5	172.9	-56.9	-83.4	0	0	0	108.4	M288 L289 F290 I291 D347 V373 F383 F387 V390	M288-Y349 HydrophobicContact CB-CD2 4.46Å; M288-Y349 HydrophobicContact CB-CE2 3.94Å; M288-Y349 HydrophobicContact CG-CE2 4.1Å; L289-Y349 PolarHBondContact O-N 2.93Å; F290-Y349 WeakPolarHBondContact CA-O 3.3Å; F290-Y349 AromaticContact CD1-CD2 3.87Å; F290-Y349 HydrophobicContact CD1-CD2 3.87Å; F290-Y349 AromaticContact CD1-CG 3.9Å; F290-Y349 HydrophobicContact CD1-CG 3.9Å; F290-Y349 HydrophobicContact CE1-CD1 4.45Å; F290-Y349 AromaticContact CE1-CD2 3.46Å; F290-Y349 HydrophobicContact CE1-CD2 3.46Å; F290-Y349 VanDerWaalsContact CE1-CD2 3.46Å; F290-Y349 HydrophobicContact CE1-CE2 4.12Å; F290-Y349 AromaticContact CE1-CG 3.68Å; F290-Y349 HydrophobicContact CE1-CG 3.68Å; F290-Y349 HydrophobicContact CE2-CD2 4.35Å; F290-Y349 HydrophobicContact CG-CD2 4.47Å; F290-Y349 AromaticContact CZ-CD2 3.73Å; F290-Y349 HydrophobicContact CZ-CD2 3.73Å; F290-Y349 HydrophobicContact CZ-CE2 4.04Å; F290-Y349 HydrophobicContact CZ-CG 4.4Å; I291-Y349 PolarHBondContact N-O 3.02Å; D347-Y349 HydrophobicContact CB-CD2 4.2Å; D347-Y349 HydrophobicContact CB-CE2 3.41Å; D347-Y349 VanDerWaalsContact CB-CE2 3.41Å; D347-Y349 PolarHBondContact OD2-OH 2.74Å; Y349-V373 HydrophobicContact CD1-CB 3.73Å; Y349-V373 HydrophobicContact CD1-CG1 4.41Å; Y349-V373 HydrophobicContact CD1-CG2 3.66Å; Y349-V373 HydrophobicContact CE1-CB 4.31Å; Y349-V373 HydrophobicContact CE1-CG2 3.7Å; Y349-F383 HydrophobicContact CD1-CE2 4.13Å; Y349-F383 HydrophobicContact CG-CE2 4.39Å; Y349-F387 HydrophobicContact CD1-CD2 4.06Å; Y349-F387 AromaticContact CE1-CD2 3.62Å; Y349-F387 HydrophobicContact CE1-CD2 3.62Å; Y349-F387 HydrophobicContact CE1-CE2 4.15Å; Y349-F387 HydrophobicContact CE2-CD2 4.38Å; Y349-F387 HydrophobicContact CE2-CE2 4.09Å; Y349-F387 AromaticContact CZ-CD2 3.82Å; Y349-F387 AromaticContact CZ-CE2 3.87Å; Y349-V390 HydrophobicContact CE1-CG2 4.26Å
350	A	98.6	Very high	97.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.1	-174.1	0	0	0	0	0	110.9	I291 I348 T356 L358 V373 M374 G375	I291-A350 HydrophobicContact CD1-CB 4.11Å; I291-A350 HydrophobicContact CG1-CB 3.81Å; I291-A350 WeakPolarHBondContact O-CA 3.49Å; I348-A350 HydrophobicContact CG2-CB 4.34Å; A350-T356 HydrophobicContact CB-CG2 4.06Å; A350-T356 WeakPolarHBondContact CB-OG1 3.47Å; A350-L358 HydrophobicContact CB-CD2 3.98Å; A350-L358 HydrophobicContact CB-CG 4.46Å; A350-V373 PolarHBondContact N-O 2.8Å; A350-M374 CarbonylContact O-C 3.45Å; A350-M374 VanDerWaalsContact O-CA 3.29Å; A350-M374 WeakPolarHBondContact O-CA 3.16Å; A350-G375 PolarHBondContact O-N 2.57Å
351	C	98.3	Very high	97.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.014	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	102.5	178.4	-66.9	0	0	0	0	111.5	I291 G292 G375 F378	I291-C351 PolarHBondContact O-N 3.32Å; G292-C351 WeakPolarHBondContact CA-O 3.28Å; C351-G375 CarbonylContact C-O 3.34Å; C351-G375 VanDerWaalsContact CA-O 3.23Å; C351-G375 WeakPolarHBondContact CA-O 3.47Å; C351-F378 HydrophobicContact CB-CD1 3.63Å; C351-F378 HydrophobicContact CB-CD2 3.86Å; C351-F378 HydrophobicContact CB-CE1 3.66Å; C351-F378 HydrophobicContact CB-CE2 3.88Å; C351-F378 HydrophobicContact CB-CG 3.74Å; C351-F378 HydrophobicContact CB-CZ 3.78Å; C351-F378 VanDerWaalsContact SG-CD1 3.57Å
352	A	97.3	Very high	97.9	Very high	19 Å²	19	18.5 Å²	18.5	16%	0.157	10%	0.099	C	C	.	.			trans	-156.8	155.9	179.4	0	0	0	0	0	110.9	D354 T356 G375 D376	A352-D354 VanDerWaalsContact C-N 3.25Å; A352-D354 PolarHBondContact O-N 2.87Å; A352-T356 HydrophobicContact CB-CG2 3.69Å; A352-G375 PolarHBondContact N-O 3.35Å; A352-D376 CarbonylContact C-O 3.58Å; A352-D376 WeakPolarHBondContact CA-O 3.45Å; A352-D376 PolarHBondContact N-O 3.03Å
353	L	96.7	Very high	98	Very high	162 Å²	162	18 Å²	18	85%	0.848	10%	0.098	S	C	*	.	S	Bend	trans	-71.5	-17.9	177	-62.8	177.2	0	0	0	114.1	D376	L353-D376 HydrophobicContact CD2-CB 4.18Å; L353-D376 PolarHBondContact N-O 3.13Å
354	D	96.8	Very high	98.2	Very high	95 Å²	95	18 Å²	18	51%	0.508	10%	0.097	S	C	.	.	S	Bend	trans	-125.9	173.5	177.9	-158.6	-12.5	0	0	0	109.1	I311 A352	I311-D354 HydrophobicContact CD1-CB 4.31Å; A352-D354 VanDerWaalsContact C-N 3.25Å; A352-D354 PolarHBondContact O-N 2.87Å
355	Q	98.4	Very high	98.2	Very high	26 Å²	26	18 Å²	18	12%	0.121	10%	0.097	C	C	.	.			trans	-58.8	146.6	-178.1	-64	-177.8	83.7	0	0	112.7	P294 I311 R312 P598 D599	P294-Q355 WeakPolarHBondContact CD-O 3.45Å; I311-Q355 HydrophobicContact CD1-CB 4.07Å; I311-Q355 VanDerWaalsContact CD1-O 3.27Å; I311-Q355 WeakPolarHBondContact CD1-O 3.44Å; I311-Q355 HydrophobicContact CG2-CB 3.94Å; R312-Q355 VanDerWaalsContact NH1-CD 3.35Å; R312-Q355 PolarHBondContact O-NE2 3.04Å; Q355-P598 VanDerWaalsContact OE1-CD 3.27Å; Q355-D599 HydrophobicContact CG-CB 4.38Å
356	T	98.4	Very high	98.2	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.043	11%	0.105	C	C	.	.			trans	-114	-4.1	-174.6	58.6	0	0	0	0	113.5	P294 P295 A350 A352 M361 D599	P294-T356 WeakPolarHBondContact CA-O 3.22Å; P295-T356 VanDerWaalsContact CD-O 3.3Å; P295-T356 WeakPolarHBondContact CD-O 3.38Å; A350-T356 HydrophobicContact CB-CG2 4.06Å; A350-T356 WeakPolarHBondContact CB-OG1 3.47Å; A352-T356 HydrophobicContact CB-CG2 3.69Å; T356-M361 VanDerWaalsContact O-CE 3.27Å; T356-M361 WeakPolarHBondContact O-CE 3.44Å; T356-D599 PolarHBondContact N-OD2 3.26Å
357	G	98.3	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	92	26.9	-178.9	0	0	0	0	0	113.9	L359 E360 M361 D599	G357-L359 PolarHBondContact O-N 2.97Å; G357-E360 VanDerWaalsContact CA-OE2 3.3Å; G357-E360 WeakPolarHBondContact CA-OE2 3.33Å; G357-E360 PolarHBondContact O-N 3.38Å; G357-M361 VanDerWaalsContact O-CE 3.3Å; G357-M361 WeakPolarHBondContact O-CE 3.46Å; G357-M361 PolarHBondContact O-N 3.4Å; G357-M361 VanDerWaalsContact O-N 3.12Å; G357-D599 PolarHBondContact N-OD2 2.97Å
358	L	98.6	Very high	98.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-61.5	-32.8	177.1	-64.5	-176.1	0	0	0	112.3	I348 A350 E360 M361 K362 I372 M374 D599	I348-L358 HydrophobicContact CB-CD2 4.43Å; I348-L358 HydrophobicContact CG2-CD2 3.57Å; A350-L358 HydrophobicContact CB-CD2 3.98Å; A350-L358 HydrophobicContact CB-CG 4.46Å; L358-E360 VanDerWaalsContact C-N 3.26Å; L358-E360 PolarHBondContact O-N 3.48Å; L358-M361 PolarHBondContact O-N 2.94Å; L358-K362 WeakPolarHBondContact O-CA 3.49Å; L358-K362 VanDerWaalsContact O-CB 3.28Å; L358-K362 WeakPolarHBondContact O-CB 3.44Å; L358-K362 PolarHBondContact O-N 3.07Å; L358-I372 HydrophobicContact CD1-CG2 3.84Å; L358-I372 HydrophobicContact CD2-CG2 4.08Å; L358-M374 HydrophobicContact CD1-CB 4.45Å; L358-M374 HydrophobicContact CD1-CE 3.24Å; L358-M374 HydrophobicContact CG-CE 4.47Å; L358-D599 HydrophobicContact CB-CB 3.97Å; L358-D599 HydrophobicContact CD1-CB 4.37Å; L358-D599 HydrophobicContact CG-CB 4.34Å; L358-D599 PolarHBondContact N-OD1 3.38Å; L358-D599 PolarHBondContact N-OD2 3.48Å; L358-D599 VanDerWaalsContact N-OD2 3.09Å
359	L	98.2	Very high	98	Very high	16 Å²	16	21.2 Å²	21.2	8%	0.084	11%	0.114	C	C	.	.	H	α-helix	trans	-55.1	-44.4	175.4	174.9	64.6	0	0	0	112	W314 I317 L325 G357 K362 P598 D599 S602	W314-L359 HydrophobicContact CH2-CD1 4.44Å; I317-L359 HydrophobicContact CD1-CD2 3.56Å; L325-L359 HydrophobicContact CD1-CD2 3.53Å; L325-L359 HydrophobicContact CD1-CG 4.04Å; L325-L359 HydrophobicContact CD2-CD2 4.28Å; G357-L359 PolarHBondContact O-N 2.97Å; L359-K362 WeakPolarHBondContact O-CG 3.28Å; L359-P598 HydrophobicContact CB-CB 4.16Å; L359-P598 HydrophobicContact CD2-CB 3.79Å; L359-P598 HydrophobicContact CG-CB 4.47Å; L359-D599 PolarHBondContact N-OD1 3.07Å; L359-S602 WeakPolarHBondContact CA-OG 3.36Å; L359-S602 WeakPolarHBondContact CD1-OG 3.34Å
360	E	98.6	Very high	98	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-73.8	-35.6	179.9	-66.4	78.6	-179.3	0	0	111.7	V302 R312 L325 A328 Y332 G357 L358	V302-E360 HydrophobicContact CG2-CB 4.26Å; V302-E360 HydrophobicContact CG2-CG 4Å; R312-E360 IonicContact CZ-OE1 3.9Å; R312-E360 IonicContact CZ-OE2 3.58Å; R312-E360 IonicContact NE-OE1 3.09Å; R312-E360 PolarHBondContact NE-OE1 3.47Å; R312-E360 IonicContact NE-OE2 2.67Å; R312-E360 PolarHBondContact NE-OE2 2.8Å; R312-E360 IonicContact NH2-OE1 2.76Å; R312-E360 IonicContact NH2-OE2 3.76Å; R312-E360 PolarHBondContact NH2-OE2 2.87Å; L325-E360 HydrophobicContact CD1-CG 3.93Å; L325-E360 WeakPolarHBondContact CD1-OE1 3.46Å; A328-E360 HydrophobicContact CB-CB 4.1Å; A328-E360 HydrophobicContact CB-CG 3.67Å; Y332-E360 WeakPolarHBondContact CB-O 3.46Å; Y332-E360 HydrophobicContact CD2-CB 3.91Å; Y332-E360 HydrophobicContact CE2-CB 4.15Å; G357-E360 VanDerWaalsContact CA-OE2 3.3Å; G357-E360 WeakPolarHBondContact CA-OE2 3.33Å; G357-E360 PolarHBondContact O-N 3.38Å; L358-E360 VanDerWaalsContact C-N 3.26Å; L358-E360 PolarHBondContact O-N 3.48Å
361	M	98.6	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-93.3	-13.1	-172.4	-68.9	-173.6	-71.3	0	0	114.7	T265 L289 I291 P295 Y332 I348 T356 G357 L358 C363 L364	T265-M361 HydrophobicContact CG2-SD 4.05Å; L289-M361 HydrophobicContact CD2-SD 4.37Å; I291-M361 HydrophobicContact CD1-CE 3.51Å; P295-M361 HydrophobicContact CG-CE 4.43Å; P295-M361 HydrophobicContact CG-SD 4.48Å; Y332-M361 HydrophobicContact CD1-CG 3.86Å; Y332-M361 HydrophobicContact CD2-CG 3.65Å; Y332-M361 HydrophobicContact CE1-CG 3.71Å; Y332-M361 HydrophobicContact CE1-SD 3.98Å; Y332-M361 HydrophobicContact CE2-CG 3.51Å; Y332-M361 HydrophobicContact CE2-SD 4.3Å; Y332-M361 HydrophobicContact CG-CG 3.82Å; I348-M361 HydrophobicContact CD1-CB 3.74Å; T356-M361 VanDerWaalsContact O-CE 3.27Å; T356-M361 WeakPolarHBondContact O-CE 3.44Å; G357-M361 VanDerWaalsContact O-CE 3.3Å; G357-M361 WeakPolarHBondContact O-CE 3.46Å; G357-M361 PolarHBondContact O-N 3.4Å; G357-M361 VanDerWaalsContact O-N 3.12Å; L358-M361 PolarHBondContact O-N 2.94Å; M361-C363 PolarHBondContact O-N 3.28Å; M361-L364 HydrophobicContact CB-CD1 4.09Å; M361-L364 HydrophobicContact CG-CD1 4.36Å; M361-L364 VanDerWaalsContact O-CB 3.31Å; M361-L364 WeakPolarHBondContact O-CB 3.48Å; M361-L364 PolarHBondContact O-N 3.24Å
362	K	97.7	Very high	98	Very high	31 Å²	31	21.5 Å²	21.5	14%	0.135	12%	0.115	C	C	.	.	H	α-helix	trans	-51.9	-32.6	-173.2	65.3	-178.1	178.6	163.7	0	114	L358 L359 L364 S365 N366 I372 E536	L358-K362 WeakPolarHBondContact O-CA 3.49Å; L358-K362 VanDerWaalsContact O-CB 3.28Å; L358-K362 WeakPolarHBondContact O-CB 3.44Å; L358-K362 PolarHBondContact O-N 3.07Å; L359-K362 WeakPolarHBondContact O-CG 3.28Å; K362-L364 PolarHBondContact O-N 3.44Å; K362-S365 PolarHBondContact O-N 3.01Å; K362-N366 WeakPolarHBondContact O-CB 3.19Å; K362-N366 PolarHBondContact O-N 3.38Å; K362-N366 PolarHBondContact O-OD1 3.44Å; K362-I372 HydrophobicContact CB-CD1 4.27Å; K362-E536 IonicContact NZ-OE1 3.8Å; K362-E536 PolarHBondContact NZ-OE1 3.43Å
363	C	97.9	Very high	98	Very high	16 Å²	16	20.9 Å²	20.9	11%	0.108	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-31.7	-179.8	58.5	0	0	0	0	112.7	E333 A336 M361 L367	E333-C363 VanDerWaalsContact CA-SG 3.59Å; E333-C363 HydrophobicContact CG-CB 4.05Å; E333-C363 PolarHBondContact N-SG 2.86Å; E333-C363 VanDerWaalsContact N-SG 3.35Å; A336-C363 HydrophobicContact CB-CB 4.19Å; A336-C363 WeakPolarHBondContact CB-O 3.41Å; M361-C363 PolarHBondContact O-N 3.28Å; C363-L367 HydrophobicContact CB-CD1 4.48Å; C363-L367 VanDerWaalsContact O-CB 3.27Å; C363-L367 WeakPolarHBondContact O-CB 3.39Å; C363-L367 VanDerWaalsContact O-CG 3.28Å; C363-L367 WeakPolarHBondContact O-CG 3.21Å; C363-L367 PolarHBondContact O-N 2.95Å
364	L	98.6	Very high	98	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.5	-53.7	177.9	-69.7	161.3	0	0	0	110.7	L269 Y332 L335 A336 V346 I348 M361 K362 T368	L269-L364 HydrophobicContact CD1-CD1 3.58Å; Y332-L364 HydrophobicContact CD1-CD1 3.86Å; Y332-L364 HydrophobicContact CG-CD1 4.46Å; L335-L364 HydrophobicContact CB-CD2 3.93Å; A336-L364 HydrophobicContact CB-CD2 4.04Å; A336-L364 HydrophobicContact CB-CG 4.35Å; V346-L364 HydrophobicContact CB-CB 4.01Å; V346-L364 HydrophobicContact CG1-CB 3.95Å; V346-L364 HydrophobicContact CG1-CD1 4.44Å; V346-L364 HydrophobicContact CG1-CD2 4.42Å; V346-L364 HydrophobicContact CG2-CD2 4.33Å; I348-L364 HydrophobicContact CD1-CB 4.38Å; I348-L364 HydrophobicContact CD1-CD1 4.33Å; M361-L364 HydrophobicContact CB-CD1 4.09Å; M361-L364 HydrophobicContact CG-CD1 4.36Å; M361-L364 VanDerWaalsContact O-CB 3.31Å; M361-L364 WeakPolarHBondContact O-CB 3.48Å; M361-L364 PolarHBondContact O-N 3.24Å; K362-L364 PolarHBondContact O-N 3.44Å; L364-T368 WeakPolarHBondContact O-CB 3.3Å; L364-T368 VanDerWaalsContact O-CG2 3.22Å; L364-T368 WeakPolarHBondContact O-CG2 3.35Å; L364-T368 PolarHBondContact O-N 3.07Å; L364-T368 PolarHBondContact O-OG1 2.83Å
365	S	98.1	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-80.1	-37.4	-179.8	-53.6	0	0	0	0	112.5	V346 K362 L367 G369 G370 H371	V346-S365 WeakPolarHBondContact O-CA 3.36Å; V346-S365 WeakPolarHBondContact O-CB 3.16Å; V346-S365 PolarHBondContact O-OG 2.84Å; K362-S365 PolarHBondContact O-N 3.01Å; S365-L367 PolarHBondContact O-N 3.21Å; S365-G369 WeakPolarHBondContact O-CA 3.17Å; S365-G369 PolarHBondContact O-N 2.78Å; S365-G370 PolarHBondContact O-N 3.45Å; S365-G370 VanDerWaalsContact O-N 3.14Å; S365-H371 PolarHBondContact OG-O 2.72Å
366	N	97.8	Very high	97.8	Very high	30 Å²	30	14.3 Å²	14.3	16%	0.16	8%	0.077	C	C	.	.	H	α-helix	trans	-61.3	-43.5	179.8	-71.9	0.4	0	0	0	112	K362 P423 H606	K362-N366 WeakPolarHBondContact O-CB 3.19Å; K362-N366 PolarHBondContact O-N 3.38Å; K362-N366 PolarHBondContact O-OD1 3.44Å; N366-P423 VanDerWaalsContact O-CA 3.22Å; N366-P423 WeakPolarHBondContact O-CA 3.21Å; N366-H606 PolarHBondContact OD1-ND1 3.45Å
367	L	97.4	Very high	97.8	Very high	39 Å²	39	15.1 Å²	15.1	20%	0.204	8%	0.083	C	C	.	.	H	α-helix	trans	-78.8	-35.8	-178.2	-64.7	-179.1	0	0	0	112.1	A336 C363 S365 V425	A336-L367 HydrophobicContact CB-CD1 3.89Å; C363-L367 HydrophobicContact CB-CD1 4.48Å; C363-L367 VanDerWaalsContact O-CB 3.27Å; C363-L367 WeakPolarHBondContact O-CB 3.39Å; C363-L367 VanDerWaalsContact O-CG 3.28Å; C363-L367 WeakPolarHBondContact O-CG 3.21Å; C363-L367 PolarHBondContact O-N 2.95Å; S365-L367 PolarHBondContact O-N 3.21Å; L367-V425 HydrophobicContact CB-CG2 3.78Å; L367-V425 HydrophobicContact CD2-CG2 4.23Å; L367-V425 HydrophobicContact CG-CG2 4.46Å; L367-V425 WeakPolarHBondContact O-CG2 3.21Å
368	T	98.1	Very high	97.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-93	-6.6	-174	75.6	0	0	0	0	113.9	A340 H344 S345 V346 L364 G370 C450 S451	A340-T368 HydrophobicContact CB-CG2 4.18Å; H344-T368 WeakPolarHBondContact O-CB 3.34Å; H344-T368 VanDerWaalsContact O-CG2 3.29Å; H344-T368 WeakPolarHBondContact O-CG2 3.4Å; S345-T368 WeakPolarHBondContact CA-OG1 3.25Å; V346-T368 PolarHBondContact N-OG1 2.97Å; L364-T368 WeakPolarHBondContact O-CB 3.3Å; L364-T368 VanDerWaalsContact O-CG2 3.22Å; L364-T368 WeakPolarHBondContact O-CG2 3.35Å; L364-T368 PolarHBondContact O-N 3.07Å; L364-T368 PolarHBondContact O-OG1 2.83Å; T368-G370 VanDerWaalsContact C-N 3.28Å; T368-G370 PolarHBondContact O-N 2.65Å; T368-G370 PolarHBondContact OG1-N 3.47Å; T368-C450 VanDerWaalsContact O-CB 3.3Å; T368-C450 WeakPolarHBondContact O-CB 3.22Å; T368-C450 PolarHBondContact O-N 2.95Å; T368-S451 PolarHBondContact O-N 3.22Å
369	G	97.6	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	15.6	-173.5	0	0	0	0	0	115	S365 R610	S365-G369 WeakPolarHBondContact O-CA 3.17Å; S365-G369 PolarHBondContact O-N 2.78Å; G369-R610 PolarHBondContact O-NH2 3.44Å
370	G	97.8	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.			trans	-68.8	169.5	171.9	0	0	0	0	0	111.9	V346 D347 S365 T368 H606 R610	V346-G370 WeakPolarHBondContact O-CA 3.3Å; D347-G370 WeakPolarHBondContact OD1-CA 3.41Å; S365-G370 PolarHBondContact O-N 3.45Å; S365-G370 VanDerWaalsContact O-N 3.14Å; T368-G370 VanDerWaalsContact C-N 3.28Å; T368-G370 PolarHBondContact O-N 2.65Å; T368-G370 PolarHBondContact OG1-N 3.47Å; G370-H606 PolarHBondContact O-CE1 3.16Å; G370-R610 PolarHBondContact O-NH1 3.27Å
371	H	98.1	Very high	97.4	Very high	9 Å²	9	23.6 Å²	23.6	4%	0.042	14%	0.136	C	C	.	.			trans	-90.4	146.8	-179.7	-60.2	-42.6	0	0	0	112.1	R286 D347 I348 S365 D453 F701	R286-H371 PolarHBondContact NH2-CD2 2.82Å; R286-H371 PolarHBondContact NH2-NE2 2.81Å; D347-H371 CarbonylContact C-O 3.58Å; D347-H371 VanDerWaalsContact CA-O 3.26Å; D347-H371 WeakPolarHBondContact CA-O 3.29Å; D347-H371 PolarHBondContact OD1-N 3.36Å; I348-H371 PolarHBondContact N-O 3.11Å; S365-H371 PolarHBondContact OG-O 2.72Å; H371-D453 IonicContact CE1-OD2 2.73Å; H371-F701 HydrophobicContact CB-CE1 4.29Å; H371-F701 HydrophobicContact CB-CZ 4.02Å; H371-F701 AromaticContact CD2-CZ 3.65Å; H371-F701 AromaticContact CE1-CE1 3.72Å; H371-F701 AromaticContact CG-CE1 3.71Å; H371-F701 AromaticContact CG-CZ 3.57Å; H371-F701 AromaticContact ND1-CE1 3.46Å; H371-F701 WeakPolarHBondContact ND1-CE1 3.36Å; H371-F701 AromaticContact ND1-CZ 3.81Å
372	I	98.5	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.6	162.2	-56.8	-176.2	0	0	0	108.3	I348 L358 K362 Y603 H606 H607	I348-I372 WeakPolarHBondContact O-CA 3.43Å; L358-I372 HydrophobicContact CD1-CG2 3.84Å; L358-I372 HydrophobicContact CD2-CG2 4.08Å; K362-I372 HydrophobicContact CB-CD1 4.27Å; I372-Y603 HydrophobicContact CG2-CD2 4Å; I372-Y603 WeakPolarHBondContact O-CE2 3.41Å; I372-H606 HydrophobicContact CD1-CB 3.95Å; I372-H606 PolarHBondContact N-NE2 3.06Å; I372-H607 PolarHBondContact O-CE1 2.95Å; I372-H607 PolarHBondContact O-NE2 3.12Å
373	V	98.1	Very high	97.1	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.03	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130	173.8	179.4	0	0	0	0	108.1	I348 Y349 A350 F383 T386 F701	I348-V373 PolarHBondContact O-N 3.13Å; Y349-V373 HydrophobicContact CD1-CB 3.73Å; Y349-V373 HydrophobicContact CD1-CG1 4.41Å; Y349-V373 HydrophobicContact CD1-CG2 3.66Å; Y349-V373 HydrophobicContact CE1-CB 4.31Å; Y349-V373 HydrophobicContact CE1-CG2 3.7Å; A350-V373 PolarHBondContact N-O 2.8Å; V373-F383 HydrophobicContact CG1-CD2 4.47Å; V373-T386 HydrophobicContact CB-CG2 4.48Å; V373-T386 HydrophobicContact CG1-CG2 3.85Å; V373-T386 HydrophobicContact CG2-CG2 3.74Å; V373-F701 HydrophobicContact CG2-CZ 4.45Å
374	M	96.8	Very high	97.1	Very high	49 Å²	49	26.3 Å²	26.3	24%	0.241	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.1	177.6	-178.8	-171.4	-69	0	0	109.3	A350 L358 D599 E600 Y603	A350-M374 CarbonylContact O-C 3.45Å; A350-M374 VanDerWaalsContact O-CA 3.29Å; A350-M374 WeakPolarHBondContact O-CA 3.16Å; L358-M374 HydrophobicContact CD1-CB 4.45Å; L358-M374 HydrophobicContact CD1-CE 3.24Å; L358-M374 HydrophobicContact CG-CE 4.47Å; M374-D599 HydrophobicContact CE-CB 4Å; M374-D599 WeakPolarHBondContact CE-O 3.28Å; M374-E600 HydrophobicContact CE-CG 4.4Å; M374-E600 HydrophobicContact SD-CG 4.01Å; M374-Y603 HydrophobicContact CB-CD2 3.83Å; M374-Y603 HydrophobicContact CB-CE2 3.94Å; M374-Y603 HydrophobicContact CB-CG 4.25Å; M374-Y603 HydrophobicContact CE-CG 4.16Å
375	G	95.6	Very high	96.9	Very high	9 Å²	9	29.9 Å²	29.9	9%	0.093	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	177.2	171.6	0	0	0	0	0	112.2	A350 C351 A352	A350-G375 PolarHBondContact O-N 2.57Å; C351-G375 CarbonylContact C-O 3.34Å; C351-G375 VanDerWaalsContact CA-O 3.23Å; C351-G375 WeakPolarHBondContact CA-O 3.47Å; A352-G375 PolarHBondContact N-O 3.35Å
376	D	96.3	Very high	96.9	Very high	87 Å²	87	30 Å²	30	47%	0.465	17%	0.165	S	C	.	.	S	Bend	trans	-82.4	-31.7	-178.6	-62.4	-27.4	0	0	0	111.9	A352 L353	A352-D376 CarbonylContact C-O 3.58Å; A352-D376 WeakPolarHBondContact CA-O 3.45Å; A352-D376 PolarHBondContact N-O 3.03Å; L353-D376 HydrophobicContact CD2-CB 4.18Å; L353-D376 PolarHBondContact N-O 3.13Å
377	S	97.9	Very high	96.9	Very high	25 Å²	25	28.5 Å²	28.5	18%	0.175	16%	0.158	C	C	.	.			trans	-159.3	148.4	-174.2	156.4	0	0	0	0	110.6	D143 N379 T380	D143-S377 VanDerWaalsContact OD1-CB 3.3Å; D143-S377 WeakPolarHBondContact OD1-CB 3.16Å; D143-S377 PolarHBondContact OD1-OG 3.47Å; S377-N379 PolarHBondContact O-N 2.51Å; S377-N379 PolarHBondContact OG-N 3.04Å; S377-T380 WeakPolarHBondContact O-CG2 3.3Å; S377-T380 PolarHBondContact O-OG1 2.98Å
378	F	98.2	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-70.7	-23.1	173.6	-69.1	-66	0	0	0	111.4	L139 D143 L147 F290 I291 C351 T380 F383	L139-F378 HydrophobicContact CD1-CD2 4.07Å; L139-F378 HydrophobicContact CD1-CE2 3.97Å; L139-F378 HydrophobicContact CD2-CD2 4.44Å; L139-F378 HydrophobicContact CD2-CE2 4.05Å; D143-F378 HydrophobicContact CB-CD2 4.44Å; D143-F378 PolarHBondContact OD1-N 2.81Å; L147-F378 HydrophobicContact CB-CB 4.2Å; L147-F378 HydrophobicContact CB-CD2 4.4Å; L147-F378 HydrophobicContact CB-CG 4.17Å; L147-F378 HydrophobicContact CD1-CD1 4.08Å; L147-F378 HydrophobicContact CD1-CE1 4.21Å; L147-F378 HydrophobicContact CD1-CG 4.45Å; L147-F378 HydrophobicContact CD2-CD2 4.31Å; L147-F378 HydrophobicContact CD2-CE2 4.19Å; L147-F378 HydrophobicContact CD2-CZ 4.36Å; F290-F378 HydrophobicContact CB-CZ 4.2Å; F290-F378 HydrophobicContact CD1-CE1 4.3Å; I291-F378 WeakPolarHBondContact O-CZ 3.46Å; C351-F378 HydrophobicContact CB-CD1 3.63Å; C351-F378 HydrophobicContact CB-CD2 3.86Å; C351-F378 HydrophobicContact CB-CE1 3.66Å; C351-F378 HydrophobicContact CB-CE2 3.88Å; C351-F378 HydrophobicContact CB-CG 3.74Å; C351-F378 HydrophobicContact CB-CZ 3.78Å; C351-F378 VanDerWaalsContact SG-CD1 3.57Å; F378-T380 PolarHBondContact O-N 3.11Å; F378-F383 HydrophobicContact CB-CD1 4.16Å; F378-F383 HydrophobicContact CB-CE1 4.32Å; F378-F383 AromaticContact CD1-CD1 3.8Å; F378-F383 HydrophobicContact CD1-CD1 3.8Å; F378-F383 AromaticContact CD1-CD2 3.87Å; F378-F383 HydrophobicContact CD1-CD2 3.87Å; F378-F383 AromaticContact CD1-CE1 3.58Å; F378-F383 HydrophobicContact CD1-CE1 3.58Å; F378-F383 AromaticContact CD1-CE2 3.66Å; F378-F383 HydrophobicContact CD1-CE2 3.66Å; F378-F383 AromaticContact CD1-CG 3.94Å; F378-F383 HydrophobicContact CD1-CG 3.94Å; F378-F383 AromaticContact CD1-CZ 3.5Å; F378-F383 HydrophobicContact CD1-CZ 3.5Å; F378-F383 HydrophobicContact CE1-CD2 4.24Å; F378-F383 HydrophobicContact CE1-CE1 4.4Å; F378-F383 AromaticContact CE1-CE2 3.79Å; F378-F383 HydrophobicContact CE1-CE2 3.79Å; F378-F383 AromaticContact CE1-CZ 3.88Å; F378-F383 HydrophobicContact CE1-CZ 3.88Å; F378-F383 HydrophobicContact CG-CD1 4.49Å; F378-F383 HydrophobicContact CG-CE1 4.41Å; F378-F383 WeakPolarHBondContact O-CD1 3.33Å
379	N	97.8	Very high	96.7	Very high	75 Å²	75	33.5 Å²	33.5	40%	0.401	18%	0.178	S	C	.	.	S	Bend	trans	-82.4	44.5	175.2	-164.1	20.8	0	0	0	113.1	D143 A146 S377 K384	D143-N379 PolarHBondContact OD1-N 3.48Å; A146-N379 HydrophobicContact CB-CB 3.6Å; S377-N379 PolarHBondContact O-N 2.51Å; S377-N379 PolarHBondContact OG-N 3.04Å; N379-K384 PolarHBondContact OD1-NZ 3.03Å
380	T	96.1	Very high	96.7	Very high	40 Å²	40	33.9 Å²	33.9	25%	0.245	18%	0.18	C	C	.	.	S	Bend	trans	-124.3	147.9	177.6	61.2	0	0	0	0	110.9	S377 F378 L382 F383 K384	S377-T380 WeakPolarHBondContact O-CG2 3.3Å; S377-T380 PolarHBondContact O-OG1 2.98Å; F378-T380 PolarHBondContact O-N 3.11Å; T380-L382 PolarHBondContact O-N 3.06Å; T380-F383 PolarHBondContact O-N 3.45Å; T380-F383 PolarHBondContact OG1-N 3.31Å; T380-K384 WeakPolarHBondContact O-CG 3.49Å; T380-K384 PolarHBondContact O-N 3.08Å
381	S	93.1	Very high	96.6	Very high	80 Å²	80	34.1 Å²	34.1	56%	0.559	18%	0.182	S	C	*	.	H	α-helix	trans	-58.8	-35.9	171.2	54.3	0	0	0	0	111.4	K384 Q385	S381-K384 PolarHBondContact O-N 3.29Å; S381-Q385 WeakPolarHBondContact O-CB 3.5Å; S381-Q385 WeakPolarHBondContact O-CG 3.26Å; S381-Q385 PolarHBondContact O-N 3.06Å
382	L	93.6	Very high	96.5	Very high	44 Å²	44	36.1 Å²	36.1	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-53.6	-53.9	175.8	-174.3	71.1	0	0	0	111.8	T380 T386 M703	T380-L382 PolarHBondContact O-N 3.06Å; L382-T386 WeakPolarHBondContact O-CB 3.15Å; L382-T386 PolarHBondContact O-N 3.23Å; L382-T386 VanDerWaalsContact O-N 3.12Å; L382-T386 PolarHBondContact O-OG1 3.03Å; L382-M703 HydrophobicContact CD1-CB 3.99Å; L382-M703 HydrophobicContact CD1-CG 4.02Å; L382-M703 WeakPolarHBondContact CD1-O 3.36Å; L382-M703 HydrophobicContact CD1-SD 4.39Å
383	F	97	Very high	96.3	Very high	2 Å²	2	41 Å²	41	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-52	178.1	171	-101.7	0	0	0	111.6	L147 F290 Y349 V373 F378 T380 Q385 T386 F387	L147-F383 HydrophobicContact CD1-CE1 4.28Å; L147-F383 HydrophobicContact CD1-CZ 4.08Å; F290-F383 HydrophobicContact CD1-CZ 4.23Å; F290-F383 HydrophobicContact CE1-CZ 4.18Å; Y349-F383 HydrophobicContact CD1-CE2 4.13Å; Y349-F383 HydrophobicContact CG-CE2 4.39Å; V373-F383 HydrophobicContact CG1-CD2 4.47Å; F378-F383 HydrophobicContact CB-CD1 4.16Å; F378-F383 HydrophobicContact CB-CE1 4.32Å; F378-F383 AromaticContact CD1-CD1 3.8Å; F378-F383 HydrophobicContact CD1-CD1 3.8Å; F378-F383 AromaticContact CD1-CD2 3.87Å; F378-F383 HydrophobicContact CD1-CD2 3.87Å; F378-F383 AromaticContact CD1-CE1 3.58Å; F378-F383 HydrophobicContact CD1-CE1 3.58Å; F378-F383 AromaticContact CD1-CE2 3.66Å; F378-F383 HydrophobicContact CD1-CE2 3.66Å; F378-F383 AromaticContact CD1-CG 3.94Å; F378-F383 HydrophobicContact CD1-CG 3.94Å; F378-F383 AromaticContact CD1-CZ 3.5Å; F378-F383 HydrophobicContact CD1-CZ 3.5Å; F378-F383 HydrophobicContact CE1-CD2 4.24Å; F378-F383 HydrophobicContact CE1-CE1 4.4Å; F378-F383 AromaticContact CE1-CE2 3.79Å; F378-F383 HydrophobicContact CE1-CE2 3.79Å; F378-F383 AromaticContact CE1-CZ 3.88Å; F378-F383 HydrophobicContact CE1-CZ 3.88Å; F378-F383 HydrophobicContact CG-CD1 4.49Å; F378-F383 HydrophobicContact CG-CE1 4.41Å; F378-F383 WeakPolarHBondContact O-CD1 3.33Å; T380-F383 PolarHBondContact O-N 3.45Å; T380-F383 PolarHBondContact OG1-N 3.31Å; F383-Q385 VanDerWaalsContact C-N 3.34Å; F383-Q385 PolarHBondContact O-N 3.16Å; F383-T386 PolarHBondContact O-N 2.83Å; F383-T386 VanDerWaalsContact O-N 3.16Å; F383-F387 HydrophobicContact CE1-CB 4.45Å; F383-F387 HydrophobicContact CE2-CB 4.15Å; F383-F387 HydrophobicContact CZ-CB 4.05Å; F383-F387 HydrophobicContact CZ-CD1 4.49Å; F383-F387 HydrophobicContact CZ-CG 4.15Å; F383-F387 WeakPolarHBondContact O-CB 3.32Å; F383-F387 PolarHBondContact O-N 3.34Å
384	K	96.9	Very high	95.9	Very high	58 Å²	58	42.4 Å²	42.4	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-55.7	-47	-174.7	-70.7	178	176.1	-176	0	111.8	E149 N379 T380 S381 Q388	E149-K384 IonicContact OE2-NZ 3.11Å; N379-K384 PolarHBondContact OD1-NZ 3.03Å; T380-K384 WeakPolarHBondContact O-CG 3.49Å; T380-K384 PolarHBondContact O-N 3.08Å; S381-K384 PolarHBondContact O-N 3.29Å; K384-Q388 WeakPolarHBondContact O-CB 3.43Å; K384-Q388 PolarHBondContact O-N 3.27Å; K384-Q388 VanDerWaalsContact O-N 3.11Å
385	Q	95.3	Very high	95.4	Very high	75 Å²	75	49.4 Å²	49.4	35%	0.35	25%	0.25	S	S	.	.	H	α-helix	trans	-70.8	-41.7	177.8	-67.3	-171	42.6	0	0	112.5	S381 F383 F387 Q388 R389 M703	S381-Q385 WeakPolarHBondContact O-CB 3.5Å; S381-Q385 WeakPolarHBondContact O-CG 3.26Å; S381-Q385 PolarHBondContact O-N 3.06Å; F383-Q385 VanDerWaalsContact C-N 3.34Å; F383-Q385 PolarHBondContact O-N 3.16Å; Q385-F387 VanDerWaalsContact C-N 3.32Å; Q385-F387 PolarHBondContact O-N 3.35Å; Q385-Q388 PolarHBondContact O-N 2.77Å; Q385-R389 WeakPolarHBondContact O-CG 3.32Å; Q385-R389 PolarHBondContact O-N 2.84Å; Q385-R389 VanDerWaalsContact O-N 3.08Å; Q385-M703 HydrophobicContact CB-SD 3.76Å; Q385-M703 HydrophobicContact CG-SD 4.29Å
386	T	97.3	Very high	95	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-44.3	177.2	-63.9	0	0	0	0	111.1	V373 L382 F383 R389 F701 P702 M703	V373-T386 HydrophobicContact CB-CG2 4.48Å; V373-T386 HydrophobicContact CG1-CG2 3.85Å; V373-T386 HydrophobicContact CG2-CG2 3.74Å; L382-T386 WeakPolarHBondContact O-CB 3.15Å; L382-T386 PolarHBondContact O-N 3.23Å; L382-T386 VanDerWaalsContact O-N 3.12Å; L382-T386 PolarHBondContact O-OG1 3.03Å; F383-T386 PolarHBondContact O-N 2.83Å; F383-T386 VanDerWaalsContact O-N 3.16Å; T386-R389 PolarHBondContact O-N 3.22Å; T386-F701 HydrophobicContact CG2-CD2 4.24Å; T386-F701 HydrophobicContact CG2-CE2 3.78Å; T386-F701 HydrophobicContact CG2-CZ 4.5Å; T386-P702 HydrophobicContact CG2-CB 3.82Å; T386-M703 VanDerWaalsContact OG1-CB 3.22Å; T386-M703 WeakPolarHBondContact OG1-CB 3.46Å; T386-M703 PolarHBondContact OG1-N 3.4Å
387	F	98	Very high	94.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-41.2	179.6	-174.7	-121.6	0	0	0	112	S150 L151 M153 M288 F290 Y349 F383 Q385 R389 V390 F391	S150-F387 WeakPolarHBondContact O-CE1 3.44Å; L151-F387 HydrophobicContact CD2-CE1 4.26Å; L151-F387 HydrophobicContact CD2-CZ 4.17Å; M153-F387 HydrophobicContact CE-CD1 4.3Å; M288-F387 HydrophobicContact SD-CE2 4.34Å; F290-F387 HydrophobicContact CE1-CD2 4.15Å; F290-F387 AromaticContact CE1-CE2 3.7Å; F290-F387 HydrophobicContact CE1-CE2 3.7Å; F290-F387 AromaticContact CE1-CZ 3.9Å; F290-F387 HydrophobicContact CE1-CZ 3.9Å; F290-F387 HydrophobicContact CZ-CD2 4.45Å; F290-F387 HydrophobicContact CZ-CE1 4.5Å; F290-F387 AromaticContact CZ-CE2 3.57Å; F290-F387 HydrophobicContact CZ-CE2 3.57Å; F290-F387 AromaticContact CZ-CZ 3.6Å; F290-F387 HydrophobicContact CZ-CZ 3.6Å; Y349-F387 HydrophobicContact CD1-CD2 4.06Å; Y349-F387 AromaticContact CE1-CD2 3.62Å; Y349-F387 HydrophobicContact CE1-CD2 3.62Å; Y349-F387 HydrophobicContact CE1-CE2 4.15Å; Y349-F387 HydrophobicContact CE2-CD2 4.38Å; Y349-F387 HydrophobicContact CE2-CE2 4.09Å; Y349-F387 AromaticContact CZ-CD2 3.82Å; Y349-F387 AromaticContact CZ-CE2 3.87Å; F383-F387 HydrophobicContact CE1-CB 4.45Å; F383-F387 HydrophobicContact CE2-CB 4.15Å; F383-F387 HydrophobicContact CZ-CB 4.05Å; F383-F387 HydrophobicContact CZ-CD1 4.49Å; F383-F387 HydrophobicContact CZ-CG 4.15Å; F383-F387 WeakPolarHBondContact O-CB 3.32Å; F383-F387 PolarHBondContact O-N 3.34Å; Q385-F387 VanDerWaalsContact C-N 3.32Å; Q385-F387 PolarHBondContact O-N 3.35Å; F387-R389 VanDerWaalsContact C-N 3.28Å; F387-R389 PolarHBondContact O-N 3.11Å; F387-V390 VanDerWaalsContact O-CB 3.32Å; F387-V390 WeakPolarHBondContact O-CB 3.37Å; F387-V390 WeakPolarHBondContact O-CG2 3.38Å; F387-V390 PolarHBondContact O-N 3.18Å; F387-F391 HydrophobicContact CD2-CE2 4.34Å; F387-F391 HydrophobicContact CE1-CE2 4.15Å; F387-F391 AromaticContact CE2-CE2 3.84Å; F387-F391 HydrophobicContact CE2-CE2 3.84Å; F387-F391 HydrophobicContact CE2-CZ 4.25Å; F387-F391 AromaticContact CZ-CE2 3.73Å; F387-F391 HydrophobicContact CZ-CE2 3.73Å; F387-F391 HydrophobicContact CZ-CZ 4.12Å; F387-F391 WeakPolarHBondContact O-CD2 3.19Å
388	Q	95.9	Very high	94.5	Very high	104 Å²	104	53.6 Å²	53.6	49%	0.486	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-39	174.5	-172.4	179.4	1.3	0	0	112.3	M153 K384 Q385 V390 F391	M153-Q388 HydrophobicContact CE-CB 3.8Å; M153-Q388 HydrophobicContact CE-CG 4.2Å; M153-Q388 HydrophobicContact SD-CB 4.2Å; M153-Q388 HydrophobicContact SD-CG 3.95Å; K384-Q388 WeakPolarHBondContact O-CB 3.43Å; K384-Q388 PolarHBondContact O-N 3.27Å; K384-Q388 VanDerWaalsContact O-N 3.11Å; Q385-Q388 PolarHBondContact O-N 2.77Å; Q388-V390 PolarHBondContact O-N 2.91Å; Q388-F391 PolarHBondContact O-N 2.92Å
389	R	95.5	Very high	94.4	Very high	39 Å²	39	53.9 Å²	53.9	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-23.8	-179.5	-74	175.6	-163.8	168.3	8.2	114.4	Q385 T386 F387 F391 S392 L697 R700 F701	Q385-R389 WeakPolarHBondContact O-CG 3.32Å; Q385-R389 PolarHBondContact O-N 2.84Å; Q385-R389 VanDerWaalsContact O-N 3.08Å; T386-R389 PolarHBondContact O-N 3.22Å; F387-R389 VanDerWaalsContact C-N 3.28Å; F387-R389 PolarHBondContact O-N 3.11Å; R389-F391 PolarHBondContact O-N 3.48Å; R389-S392 VanDerWaalsContact O-CB 3.26Å; R389-S392 WeakPolarHBondContact O-CB 3.44Å; R389-S392 PolarHBondContact O-N 2.94Å; R389-S392 PolarHBondContact O-OG 3.03Å; R389-L697 PolarHBondContact NH1-O 2.88Å; R389-L697 PolarHBondContact NH2-O 3.42Å; R389-R700 PolarHBondContact NH1-O 3.26Å; R389-F701 HydrophobicContact CB-CD2 4.11Å
390	V	96.9	Very high	94.3	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.048	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.9	172.7	179.2	0	0	0	0	110.9	Y349 F387 Q388 M401 F701	Y349-V390 HydrophobicContact CE1-CG2 4.26Å; F387-V390 VanDerWaalsContact O-CB 3.32Å; F387-V390 WeakPolarHBondContact O-CB 3.37Å; F387-V390 WeakPolarHBondContact O-CG2 3.38Å; F387-V390 PolarHBondContact O-N 3.18Å; Q388-V390 PolarHBondContact O-N 2.91Å; V390-M401 WeakPolarHBondContact O-CE 3.42Å; V390-F701 HydrophobicContact CG2-CE2 3.75Å; V390-F701 HydrophobicContact CG2-CZ 4.1Å
391	F	96.8	Very high	94.3	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.026	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	21.1	-179.3	-53.4	-79.7	0	0	0	112.9	F131 S154 L157 L158 M288 F387 Q388 R389 F399 M401	F131-F391 HydrophobicContact CD1-CE1 4.32Å; F131-F391 HydrophobicContact CE1-CE1 4.04Å; S154-F391 VanDerWaalsContact CB-CE2 3.45Å; L157-F391 HydrophobicContact CB-CB 4.26Å; L157-F391 HydrophobicContact CD1-CB 3.8Å; L157-F391 HydrophobicContact CD1-CD2 4.48Å; L157-F391 HydrophobicContact CD1-CG 4.36Å; L158-F391 HydrophobicContact CD2-CD1 3.97Å; L158-F391 HydrophobicContact CD2-CE1 3.71Å; M288-F391 HydrophobicContact SD-CZ 3.92Å; F387-F391 HydrophobicContact CD2-CE2 4.34Å; F387-F391 HydrophobicContact CE1-CE2 4.15Å; F387-F391 AromaticContact CE2-CE2 3.84Å; F387-F391 HydrophobicContact CE2-CE2 3.84Å; F387-F391 HydrophobicContact CE2-CZ 4.25Å; F387-F391 AromaticContact CZ-CE2 3.73Å; F387-F391 HydrophobicContact CZ-CE2 3.73Å; F387-F391 HydrophobicContact CZ-CZ 4.12Å; F387-F391 WeakPolarHBondContact O-CD2 3.19Å; Q388-F391 PolarHBondContact O-N 2.92Å; R389-F391 PolarHBondContact O-N 3.48Å; F391-F399 HydrophobicContact CB-CD1 4.37Å; F391-F399 HydrophobicContact CB-CE1 3.78Å; F391-F399 HydrophobicContact CB-CZ 4.21Å; F391-F399 HydrophobicContact CD1-CE1 4.31Å; F391-F399 HydrophobicContact CD1-CE2 4.32Å; F391-F399 AromaticContact CD1-CZ 3.92Å; F391-F399 HydrophobicContact CD1-CZ 3.92Å; F391-F399 WeakPolarHBondContact O-CD1 3.48Å; F391-F399 WeakPolarHBondContact O-CE1 3.38Å; F391-M401 HydrophobicContact CD1-CE 4.27Å
392	S	95.2	Very high	94.5	Very high	51 Å²	51	49 Å²	49	36%	0.357	24%	0.239	S	C	.	.			trans	-58.3	141.4	175.1	57.7	0	0	0	0	111.1	R389 F399 R400	R389-S392 VanDerWaalsContact O-CB 3.26Å; R389-S392 WeakPolarHBondContact O-CB 3.44Å; R389-S392 PolarHBondContact O-N 2.94Å; R389-S392 PolarHBondContact O-OG 3.03Å; S392-F399 WeakPolarHBondContact O-CA 3.46Å; S392-R400 PolarHBondContact O-N 3.38Å
393	K	94.1	Very high	94.6	Very high	101 Å²	101	46.9 Å²	46.9	44%	0.439	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-104.6	151.7	-178.3	-68.5	174.3	173.9	-173.6	0	111	G397 D398 F399 R400	K393-G397 VanDerWaalsContact CD-O 3.28Å; K393-G397 WeakPolarHBondContact CD-O 3.37Å; K393-D398 CarbonylContact C-O 3.59Å; K393-D398 WeakPolarHBondContact CA-O 3.48Å; K393-F399 HydrophobicContact CG-CD1 3.84Å; K393-F399 HydrophobicContact CG-CE1 4.26Å; K393-R400 PolarHBondContact O-NE 2.94Å
394	D	90.2	Very high	94.6	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.193	24%	0.237	C	C	.	.			trans	-79.9	-175.7	170.7	78.1	-9.1	0	0	0	110.8	N396 G397 D398 R400	D394-N396 PolarHBondContact O-N 3.43Å; D394-N396 VanDerWaalsContact OD1-CA 3.32Å; D394-N396 WeakPolarHBondContact OD1-CA 3.29Å; D394-N396 WeakPolarHBondContact OD1-CB 3.25Å; D394-N396 PolarHBondContact OD1-N 3.4Å; D394-N396 PolarHBondContact OD2-ND2 2.94Å; D394-N396 VanDerWaalsContact OD2-ND2 3.11Å; D394-G397 PolarHBondContact O-N 3.41Å; D394-G397 VanDerWaalsContact O-N 3.13Å; D394-G397 PolarHBondContact OD1-N 2.97Å; D394-D398 PolarHBondContact N-O 2.85Å; D394-D398 PolarHBondContact OD1-N 3.1Å; D394-R400 HydrophobicContact CB-CG 4.2Å
395	Y	86.1	Confident	94.5	Very high	196 Å²	196	45 Å²	45	77%	0.769	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.6	177.7	-63.9	-81.6	0	0	0	113.9
396	N	86.9	Confident	94.7	Very high	128 Å²	128	43.5 Å²	43.5	68%	0.684	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.7	177.7	-54.5	-57.2	0	0	0	112.4	D394 D398	D394-N396 PolarHBondContact O-N 3.43Å; D394-N396 VanDerWaalsContact OD1-CA 3.32Å; D394-N396 WeakPolarHBondContact OD1-CA 3.29Å; D394-N396 WeakPolarHBondContact OD1-CB 3.25Å; D394-N396 PolarHBondContact OD1-N 3.4Å; D394-N396 PolarHBondContact OD2-ND2 2.94Å; D394-N396 VanDerWaalsContact OD2-ND2 3.11Å; N396-D398 VanDerWaalsContact C-N 3.3Å
397	G	90.8	Very high	94.7	Very high	39 Å²	39	43.4 Å²	43.4	40%	0.402	22%	0.22	S	C	.	.	S	Bend	trans	80.9	8.4	-175.8	0	0	0	0	0	114.2	K393 D394	K393-G397 VanDerWaalsContact CD-O 3.28Å; K393-G397 WeakPolarHBondContact CD-O 3.37Å; D394-G397 PolarHBondContact O-N 3.41Å; D394-G397 VanDerWaalsContact O-N 3.13Å; D394-G397 PolarHBondContact OD1-N 2.97Å
398	D	93.1	Very high	94.7	Very high	42 Å²	42	45 Å²	45	23%	0.225	23%	0.227	C	C	.	.			trans	-87.4	149.8	175.3	-76.6	-31.8	0	0	0	110	K393 D394 N396 H488 N490	K393-D398 CarbonylContact C-O 3.59Å; K393-D398 WeakPolarHBondContact CA-O 3.48Å; D394-D398 PolarHBondContact N-O 2.85Å; D394-D398 PolarHBondContact OD1-N 3.1Å; N396-D398 VanDerWaalsContact C-N 3.3Å; D398-H488 IonicContact OD2-CE1 2.72Å; D398-H488 PolarHBondContact OD2-CE1 2.86Å; D398-N490 WeakPolarHBondContact OD2-CB 3.22Å; D398-N490 PolarHBondContact OD2-ND2 2.62Å
399	F	96.3	Very high	94.9	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.026	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-65.2	143.9	177.2	-67.8	-41.4	0	0	0	112.4	F131 L157 L158 P159 F391 S392 K393 M401 S489	F131-F399 HydrophobicContact CZ-CD2 4.5Å; F131-F399 HydrophobicContact CZ-CE2 4.16Å; L157-F399 HydrophobicContact CB-CZ 4.5Å; L157-F399 WeakPolarHBondContact O-CZ 3.34Å; L158-F399 HydrophobicContact CD2-CE2 4.07Å; L158-F399 HydrophobicContact CD2-CZ 4.14Å; P159-F399 HydrophobicContact CG-CD2 4.36Å; P159-F399 HydrophobicContact CG-CE2 3.99Å; F391-F399 HydrophobicContact CB-CD1 4.37Å; F391-F399 HydrophobicContact CB-CE1 3.78Å; F391-F399 HydrophobicContact CB-CZ 4.21Å; F391-F399 HydrophobicContact CD1-CE1 4.31Å; F391-F399 HydrophobicContact CD1-CE2 4.32Å; F391-F399 AromaticContact CD1-CZ 3.92Å; F391-F399 HydrophobicContact CD1-CZ 3.92Å; F391-F399 WeakPolarHBondContact O-CD1 3.48Å; F391-F399 WeakPolarHBondContact O-CE1 3.38Å; S392-F399 WeakPolarHBondContact O-CA 3.46Å; K393-F399 HydrophobicContact CG-CD1 3.84Å; K393-F399 HydrophobicContact CG-CE1 4.26Å; F399-M401 HydrophobicContact CB-CE 3.72Å; F399-M401 HydrophobicContact CB-CG 3.73Å; F399-M401 HydrophobicContact CB-SD 4.22Å; F399-M401 HydrophobicContact CD1-CE 4.38Å; F399-M401 HydrophobicContact CD2-CE 3.79Å; F399-M401 HydrophobicContact CD2-SD 4.1Å; F399-M401 HydrophobicContact CE2-CE 4.38Å; F399-M401 HydrophobicContact CG-CE 3.77Å; F399-M401 HydrophobicContact CG-SD 4.47Å; F399-M401 PolarHBondContact O-N 3.33Å; F399-S489 PolarHBondContact N-OG 3.29Å; F399-S489 WeakPolarHBondContact O-CB 3.42Å; F399-S489 PolarHBondContact O-OG 3.06Å
400	R	95.6	Very high	95	Very high	82 Å²	82	39 Å²	39	31%	0.309	20%	0.201	S	C	.	.	S	Bend	trans	-77.3	48.9	172.2	-61.1	-173.8	-174.8	-143.4	6.6	112.5	E47 S392 K393 D394 P454	E47-R400 IonicContact OE1-CZ 2.84Å; E47-R400 IonicContact OE1-NE 2.56Å; E47-R400 IonicContact OE1-NH1 3.07Å; E47-R400 PolarHBondContact OE1-NH1 3.18Å; E47-R400 IonicContact OE2-CZ 2.88Å; E47-R400 IonicContact OE2-NH1 3.12Å; E47-R400 PolarHBondContact OE2-NH1 3.02Å; S392-R400 PolarHBondContact O-N 3.38Å; K393-R400 PolarHBondContact O-NE 2.94Å; D394-R400 HydrophobicContact CB-CG 4.2Å; R400-P454 HydrophobicContact CB-CG 4.3Å; R400-P454 WeakPolarHBondContact O-CD 3.32Å
401	M	95.6	Very high	95	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.039	20%	0.201	C	C	.	.			trans	-141	149.4	177.4	67.2	-174.4	77.7	0	0	110.6	F131 V390 F391 F399 F403 S489	F131-M401 HydrophobicContact CE1-SD 4.15Å; F131-M401 HydrophobicContact CZ-SD 4.06Å; V390-M401 WeakPolarHBondContact O-CE 3.42Å; F391-M401 HydrophobicContact CD1-CE 4.27Å; F399-M401 HydrophobicContact CB-CE 3.72Å; F399-M401 HydrophobicContact CB-CG 3.73Å; F399-M401 HydrophobicContact CB-SD 4.22Å; F399-M401 HydrophobicContact CD1-CE 4.38Å; F399-M401 HydrophobicContact CD2-CE 3.79Å; F399-M401 HydrophobicContact CD2-SD 4.1Å; F399-M401 HydrophobicContact CE2-CE 4.38Å; F399-M401 HydrophobicContact CG-CE 3.77Å; F399-M401 HydrophobicContact CG-SD 4.47Å; F399-M401 PolarHBondContact O-N 3.33Å; M401-F403 HydrophobicContact CG-CE2 3.75Å; M401-F403 HydrophobicContact CG-CZ 4Å; M401-F403 HydrophobicContact SD-CE2 3.82Å; M401-F403 HydrophobicContact SD-CZ 3.56Å; M401-F403 VanDerWaalsContact SD-CZ 3.56Å; M401-S489 WeakPolarHBondContact O-CB 3.49Å; M401-S489 PolarHBondContact O-N 3.14Å
402	A	96.8	Very high	94.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.4	179.1	0	0	0	0	0	109.5	L45 S451 L452 Y486 Q487	L45-A402 HydrophobicContact CD1-CB 3.51Å; A402-S451 CarbonylContact O-C 3.55Å; A402-S451 WeakPolarHBondContact O-CA 3.37Å; A402-L452 HydrophobicContact CB-CD1 4.21Å; A402-L452 HydrophobicContact CB-CG 3.91Å; A402-L452 PolarHBondContact N-O 3.04Å; A402-L452 PolarHBondContact O-N 3.08Å; A402-Y486 HydrophobicContact CB-CD2 3.36Å; A402-Y486 HydrophobicContact CB-CE2 3.69Å; A402-Y486 HydrophobicContact CB-CG 4.24Å; A402-Q487 WeakPolarHBondContact CA-O 3.14Å
403	F	97.3	Very high	94.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.9	-172.8	-61.7	-84.7	0	0	0	112.7	L129 G284 R286 M401 G405 C450 Q487	L129-F403 HydrophobicContact CD1-CE2 4.23Å; L129-F403 HydrophobicContact CD2-CD2 3.62Å; L129-F403 HydrophobicContact CD2-CE2 3.68Å; G284-F403 VanDerWaalsContact CA-CB 3.47Å; R286-F403 HydrophobicContact CB-CE1 4.14Å; M401-F403 HydrophobicContact CG-CE2 3.75Å; M401-F403 HydrophobicContact CG-CZ 4Å; M401-F403 HydrophobicContact SD-CE2 3.82Å; M401-F403 HydrophobicContact SD-CZ 3.56Å; M401-F403 VanDerWaalsContact SD-CZ 3.56Å; F403-G405 VanDerWaalsContact C-N 3.26Å; F403-G405 PolarHBondContact O-N 2.88Å; F403-C450 CarbonylContact C-O 3.46Å; F403-C450 VanDerWaalsContact CA-O 3.31Å; F403-C450 WeakPolarHBondContact CA-O 3.42Å; F403-Q487 HydrophobicContact CB-CB 4.41Å; F403-Q487 PolarHBondContact N-O 3.28Å; F403-Q487 WeakPolarHBondContact O-CB 3.22Å; F403-Q487 PolarHBondContact O-N 3.41Å
404	G	95	Very high	94.9	Very high	20 Å²	20	41.1 Å²	41.1	21%	0.206	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.3	38	171.6	0	0	0	0	0	113.6	C450	G404-C450 PolarHBondContact N-O 3.07Å
405	G	96.7	Very high	95.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	134.2	176.3	0	0	0	0	0	112.2	F403 K448 L449 Q485	F403-G405 VanDerWaalsContact C-N 3.26Å; F403-G405 PolarHBondContact O-N 2.88Å; G405-K448 CarbonylContact O-C 3.53Å; G405-K448 VanDerWaalsContact O-CA 3.3Å; G405-K448 WeakPolarHBondContact O-CA 3.44Å; G405-L449 WeakPolarHBondContact CA-O 3.46Å; G405-L449 PolarHBondContact N-O 3.12Å; G405-L449 PolarHBondContact O-N 3.18Å; G405-Q485 CarbonylContact C-O 3.57Å; G405-Q485 WeakPolarHBondContact CA-O 3.35Å
406	N	97.8	Very high	95.7	Very high	44 Å²	44	32.7 Å²	32.7	24%	0.235	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	110.1	166	-175.8	-5.1	0	0	0	108.1	L427 W447 T484 Q485	N406-L427 VanDerWaalsContact OD1-CD1 3.27Å; N406-L427 WeakPolarHBondContact OD1-CD1 3.46Å; N406-W447 WeakPolarHBondContact CA-O 3.33Å; N406-T484 CarbonylContact O-C 3.53Å; N406-T484 WeakPolarHBondContact O-CA 3.33Å; N406-Q485 PolarHBondContact N-O 2.72Å; N406-Q485 PolarHBondContact O-N 2.96Å
407	L	98.6	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.4	174.6	172.5	60.5	0	0	0	109.4	F42 V409 Q446 W447 L449 L458 F482 V483	F42-L407 HydrophobicContact CD1-CD2 4.26Å; F42-L407 HydrophobicContact CE1-CD1 3.78Å; F42-L407 HydrophobicContact CE1-CD2 4.24Å; L407-V409 HydrophobicContact CD1-CG2 4.29Å; L407-V409 HydrophobicContact CD2-CG2 4.48Å; L407-V409 HydrophobicContact CG-CG2 4.2Å; L407-Q446 CarbonylContact O-C 3.56Å; L407-Q446 VanDerWaalsContact O-CA 3.22Å; L407-Q446 WeakPolarHBondContact O-CA 3.34Å; L407-W447 HydrophobicContact CD2-CE3 4.42Å; L407-W447 HydrophobicContact CG-CE3 4.46Å; L407-W447 PolarHBondContact N-O 2.98Å; L407-W447 PolarHBondContact O-N 2.83Å; L407-L449 HydrophobicContact CB-CD1 3.69Å; L407-L458 HydrophobicContact CD2-CD1 3.45Å; L407-L458 VanDerWaalsContact CD2-CD1 3.45Å; L407-F482 HydrophobicContact CD1-CB 4.15Å; L407-F482 HydrophobicContact CD1-CD1 4.38Å; L407-V483 CarbonylContact C-O 3.5Å; L407-V483 WeakPolarHBondContact CA-O 3.49Å
408	E	98.4	Very high	96.6	Very high	34 Å²	34	24.8 Å²	24.8	16%	0.159	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134	167.6	-178.8	178.8	-163.3	0	0	110.6	K410 Q446 V483	E408-K410 HydrophobicContact CG-CG 4.28Å; E408-K410 IonicContact OE1-NZ 3.88Å; E408-K410 PolarHBondContact OE1-NZ 3.12Å; E408-K410 WeakPolarHBondContact OE2-CE 3.48Å; E408-K410 IonicContact OE2-NZ 2.69Å; E408-K410 PolarHBondContact OE2-NZ 3.27Å; E408-Q446 HydrophobicContact CB-CG 3.91Å; E408-Q446 HydrophobicContact CG-CG 3.81Å; E408-Q446 PolarHBondContact OE1-NE2 2.82Å; E408-V483 HydrophobicContact CB-CB 4.43Å; E408-V483 PolarHBondContact N-O 2.7Å; E408-V483 PolarHBondContact O-N 2.75Å
409	V	98.4	Very high	96.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123	175.5	-177.2	0	0	0	0	110.1	L407 T411 V417 N445 W447 F462 I480 F482	L407-V409 HydrophobicContact CD1-CG2 4.29Å; L407-V409 HydrophobicContact CD2-CG2 4.48Å; L407-V409 HydrophobicContact CG-CG2 4.2Å; V409-T411 HydrophobicContact CG1-CG2 4.24Å; V409-V417 HydrophobicContact CB-CG2 4.36Å; V409-V417 HydrophobicContact CG1-CG2 3.94Å; V409-N445 PolarHBondContact N-O 3Å; V409-N445 PolarHBondContact O-ND2 2.86Å; V409-N445 VanDerWaalsContact O-ND2 3.17Å; V409-W447 HydrophobicContact CB-CZ3 4.28Å; V409-W447 HydrophobicContact CG2-CZ3 3.74Å; V409-F462 HydrophobicContact CG1-CE1 4.06Å; V409-I480 HydrophobicContact CG1-CG2 3.85Å; V409-F482 HydrophobicContact CG1-CD1 4.37Å; V409-F482 HydrophobicContact CG1-CE1 4.23Å; V409-F482 HydrophobicContact CG2-CD1 3.67Å; V409-F482 HydrophobicContact CG2-CE1 4Å
410	K	97.9	Very high	97	Very high	17 Å²	17	22.5 Å²	22.5	7%	0.074	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.3	176.6	-57.6	177.5	-169.3	-74.4	0	109	C66 K67 A68 E408 I480 Q481	C66-K410 PolarHBondContact O-NZ 2.88Å; K67-K410 WeakPolarHBondContact O-CE 3.48Å; A68-K410 HydrophobicContact CB-CD 4.02Å; E408-K410 HydrophobicContact CG-CG 4.28Å; E408-K410 IonicContact OE1-NZ 3.88Å; E408-K410 PolarHBondContact OE1-NZ 3.12Å; E408-K410 WeakPolarHBondContact OE2-CE 3.48Å; E408-K410 IonicContact OE2-NZ 2.69Å; E408-K410 PolarHBondContact OE2-NZ 3.27Å; K410-I480 CarbonylContact O-C 3.57Å; K410-I480 WeakPolarHBondContact O-CA 3.14Å; K410-Q481 HydrophobicContact CB-CB 4.43Å; K410-Q481 PolarHBondContact N-O 2.95Å; K410-Q481 PolarHBondContact O-N 3.43Å
411	T	97.4	Very high	97.1	Very high	9 Å²	9	18.9 Å²	18.9	6%	0.055	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.8	-174.5	59	0	0	0	0	111.3	V409 L415 V417 S433 F462 I480	V409-T411 HydrophobicContact CG1-CG2 4.24Å; T411-L415 VanDerWaalsContact CB-O 3.3Å; T411-L415 WeakPolarHBondContact CB-O 3.35Å; T411-L415 HydrophobicContact CG2-CD2 4.25Å; T411-L415 PolarHBondContact OG1-O 3.17Å; T411-V417 HydrophobicContact CG2-CG2 3.84Å; T411-S433 VanDerWaalsContact OG1-CB 3.29Å; T411-S433 WeakPolarHBondContact OG1-CB 3.47Å; T411-S433 PolarHBondContact OG1-OG 3.29Å; T411-F462 HydrophobicContact CG2-CD1 4.29Å; T411-F462 HydrophobicContact CG2-CE1 4.17Å; T411-I480 HydrophobicContact CG2-CG1 4.31Å; T411-I480 HydrophobicContact CG2-CG2 4.47Å
412	S	95.6	Very high	97.2	Very high	10 Å²	10	19 Å²	19	7%	0.07	9%	0.092	C	C	.	.			trans	-54.8	150.4	161.1	-65.5	0	0	0	0	110.4	E414 L415 A479	S412-E414 PolarHBondContact O-N 3.2Å; S412-L415 PolarHBondContact O-N 3.08Å; S412-A479 PolarHBondContact N-O 3.06Å; S412-A479 PolarHBondContact OG-N 3.34Å; S412-A479 PolarHBondContact OG-O 3.34Å
413	R	93.8	Very high	97.2	Very high	175 Å²	175	19.1 Å²	19.1	66%	0.66	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.7	-175.2	66.1	-178.2	-179.3	172	5.1	114.2	L415 V465	R413-L415 VanDerWaalsContact C-N 3.28Å; R413-V465 WeakPolarHBondContact O-CG2 3.39Å
414	E	95.1	Very high	97.2	Very high	16 Å²	16	19.1 Å²	19.1	8%	0.075	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.9	178.3	-62.7	87.8	-176.9	0	0	113.8	S412 V464 V465 N466 P473 W504	S412-E414 PolarHBondContact O-N 3.2Å; E414-V464 WeakPolarHBondContact O-CA 3.4Å; E414-V465 WeakPolarHBondContact O-CG2 3.2Å; E414-V465 PolarHBondContact O-N 2.85Å; E414-N466 HydrophobicContact CB-CB 4.05Å; E414-N466 HydrophobicContact CG-CB 4.01Å; E414-P473 HydrophobicContact CB-CG 4.28Å; E414-P473 HydrophobicContact CG-CB 4.26Å; E414-P473 HydrophobicContact CG-CG 3.59Å; E414-W504 HydrophobicContact CB-CH2 4.27Å; E414-W504 HydrophobicContact CB-CZ2 3.94Å
415	L	95.5	Very high	97.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.3	-179.6	-166	76.5	0	0	0	110	W24 T411 S412 R413 F462 E463 V464 I480 W504	W24-L415 HydrophobicContact CH2-CD2 4.32Å; W24-L415 HydrophobicContact CZ3-CD2 4.15Å; T411-L415 VanDerWaalsContact CB-O 3.3Å; T411-L415 WeakPolarHBondContact CB-O 3.35Å; T411-L415 HydrophobicContact CG2-CD2 4.25Å; T411-L415 PolarHBondContact OG1-O 3.17Å; S412-L415 PolarHBondContact O-N 3.08Å; R413-L415 VanDerWaalsContact C-N 3.28Å; L415-F462 HydrophobicContact CD1-CB 3.82Å; L415-F462 HydrophobicContact CD2-CB 4.12Å; L415-F462 HydrophobicContact CD2-CD1 3.9Å; L415-F462 HydrophobicContact CD2-CG 4.04Å; L415-F462 HydrophobicContact CG-CB 3.97Å; L415-F462 HydrophobicContact CG-CD1 4.28Å; L415-F462 HydrophobicContact CG-CG 4.37Å; L415-E463 CarbonylContact C-O 3.44Å; L415-E463 WeakPolarHBondContact CA-O 3.34Å; L415-V464 HydrophobicContact CD1-CG2 4.02Å; L415-I480 HydrophobicContact CD2-CD1 3.63Å; L415-I480 HydrophobicContact CD2-CG1 3.67Å; L415-W504 HydrophobicContact CB-CH2 4.46Å; L415-W504 HydrophobicContact CD1-CH2 4.35Å
416	K	97.7	Very high	97.3	Very high	54 Å²	54	19.9 Å²	19.9	24%	0.235	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	157.6	174.3	-66.3	-164.9	178.4	-171.4	0	111.2	P432 S433 V434 F462 E463 V465	K416-P432 WeakPolarHBondContact CE-O 3.1Å; K416-S433 CarbonylContact C-O 3.54Å; K416-S433 VanDerWaalsContact CA-O 3.28Å; K416-S433 WeakPolarHBondContact CA-O 3.37Å; K416-V434 WeakPolarHBondContact CD-O 3.42Å; K416-F462 CarbonylContact O-C 3.57Å; K416-F462 WeakPolarHBondContact O-CA 3.33Å; K416-F462 WeakPolarHBondContact O-CB 3.17Å; K416-E463 PolarHBondContact N-O 2.97Å; K416-E463 PolarHBondContact O-N 3.25Å; K416-V465 HydrophobicContact CB-CG1 4.16Å; K416-V465 HydrophobicContact CD-CG1 3.74Å; K416-V465 HydrophobicContact CD-CG2 4.47Å; K416-V465 HydrophobicContact CG-CG1 3.71Å; K416-V465 HydrophobicContact CG-CG2 4.02Å
417	V	98.3	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.6	179.6	177.8	0	0	0	0	108.2	V409 T411 S433 S435 W447 F462	V409-V417 HydrophobicContact CB-CG2 4.36Å; V409-V417 HydrophobicContact CG1-CG2 3.94Å; T411-V417 HydrophobicContact CG2-CG2 3.84Å; V417-S433 WeakPolarHBondContact CB-O 3.28Å; V417-S433 PolarHBondContact N-O 3.24Å; V417-S435 WeakPolarHBondContact O-CB 3.43Å; V417-S435 PolarHBondContact O-N 3.48Å; V417-W447 HydrophobicContact CG1-CH2 3.47Å; V417-W447 VanDerWaalsContact CG1-CH2 3.47Å; V417-W447 HydrophobicContact CG1-CZ2 4.17Å; V417-W447 HydrophobicContact CG1-CZ3 4.42Å; V417-F462 HydrophobicContact CG2-CD1 4.14Å; V417-F462 HydrophobicContact CG2-CE1 4.08Å
418	C	98.3	Very high	97.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-37	175.7	-58.6	0	0	0	0	111.6	N437 E438 M439 G442 Y461 F462 E463	C418-N437 WeakPolarHBondContact CA-O 3.43Å; C418-N437 WeakPolarHBondContact CB-O 3.33Å; C418-E438 WeakPolarHBondContact O-CA 3.27Å; C418-M439 HydrophobicContact CB-CB 3.95Å; C418-M439 HydrophobicContact CB-CG 3.98Å; C418-M439 HydrophobicContact CB-SD 4.38Å; C418-M439 PolarHBondContact O-N 3.22Å; C418-M439 VanDerWaalsContact O-N 3.11Å; C418-G442 VanDerWaalsContact O-CA 3.3Å; C418-G442 WeakPolarHBondContact O-CA 3.46Å; C418-Y461 WeakPolarHBondContact CB-O 3.49Å; C418-Y461 PolarHBondContact N-O 2.82Å; C418-F462 VanDerWaalsContact SG-C 3.55Å; C418-E463 VanDerWaalsContact SG-CB 3.53Å
419	G	98.3	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.8	-172	178.1	0	0	0	0	0	112.8	M439 I441 Y461	G419-M439 CarbonylContact C-O 3.51Å; G419-M439 WeakPolarHBondContact CA-O 3.44Å; G419-I441 WeakPolarHBondContact CA-O 3.47Å; G419-Y461 PolarHBondContact O-N 2.77Å
420	A	98.4	Very high	96.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151	178	0	0	0	0	0	112.3	I441 W447 G459	A420-I441 PolarHBondContact N-O 3.31Å; A420-I441 WeakPolarHBondContact O-CB 3.38Å; A420-I441 PolarHBondContact O-N 3.13Å; A420-W447 HydrophobicContact CB-CD2 4.23Å; A420-W447 HydrophobicContact CB-CH2 4.12Å; A420-W447 HydrophobicContact CB-CZ2 3.64Å; A420-G459 CarbonylContact C-O 3.51Å; A420-G459 WeakPolarHBondContact CA-O 3.3Å
421	I	98.5	Very high	96.1	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.9	171.7	-61.6	175.8	0	0	0	109	G459 Y461 R529 L530 F533 V609	I421-G459 PolarHBondContact N-O 3.19Å; I421-G459 PolarHBondContact O-N 3.43Å; I421-Y461 HydrophobicContact CB-CE2 4.03Å; I421-Y461 HydrophobicContact CD1-CE2 3.65Å; I421-Y461 HydrophobicContact CG1-CD2 4.49Å; I421-Y461 HydrophobicContact CG1-CE2 3.73Å; I421-R529 HydrophobicContact CG2-CB 4.08Å; I421-R529 PolarHBondContact O-NH1 3.37Å; I421-L530 HydrophobicContact CD1-CD2 3.79Å; I421-L530 HydrophobicContact CD1-CG 4.28Å; I421-F533 HydrophobicContact CD1-CB 3.83Å; I421-F533 HydrophobicContact CD1-CD2 4.5Å; I421-F533 HydrophobicContact CD1-CG 4.06Å; I421-F533 HydrophobicContact CG1-CD2 4.37Å; I421-F533 HydrophobicContact CG1-CG 4.41Å; I421-F533 HydrophobicContact CG2-CB 4.49Å; I421-V609 HydrophobicContact CG2-CG1 4.48Å
422	G	97.1	Very high	95.8	Very high	11 Å²	11	39.6 Å²	39.6	11%	0.113	20%	0.204	C	C	.	.	S	Bend	trans	153	-172.2	-178.7	0	0	0	0	0	110.6	C424 V609	G422-C424 PolarHBondContact O-N 3.29Å; G422-V609 WeakPolarHBondContact CA-O 3.48Å
423	P	96.6	Very high	95.6	Very high	4 Å²	4	40 Å²	40	3%	0.026	21%	0.206	C	C	.	.	S	Bend	trans	-73.5	81.5	-173.9	28.7	-36.5	0	0	0	113.4	N366 T456 L458 R610	N366-P423 VanDerWaalsContact O-CA 3.22Å; N366-P423 WeakPolarHBondContact O-CA 3.21Å; P423-T456 HydrophobicContact CG-CG2 3.83Å; P423-L458 HydrophobicContact CG-CD2 4.44Å; P423-R610 HydrophobicContact CG-CB 4.03Å
424	C	97.2	Very high	95.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.			trans	-154.6	163.7	-178	69.1	0	0	0	0	112.7	G422 I441 W447 K448 L449 L458	G422-C424 PolarHBondContact O-N 3.29Å; C424-I441 WeakPolarHBondContact O-CD1 3.34Å; C424-W447 HydrophobicContact CB-CB 3.93Å; C424-W447 HydrophobicContact CB-CG 4.4Å; C424-K448 CarbonylContact C-O 3.23Å; C424-K448 WeakPolarHBondContact CA-O 3.35Å; C424-L449 HydrophobicContact CB-CG 4.12Å; C424-L458 HydrophobicContact CB-CD2 4.33Å
425	V	97.4	Very high	95.9	Very high	25 Å²	25	32 Å²	32	15%	0.152	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.3	173	-178.2	0	0	0	0	110	A340 L367 W447 K448	A340-V425 HydrophobicContact CB-CB 4.41Å; A340-V425 HydrophobicContact CB-CG2 3.66Å; L367-V425 HydrophobicContact CB-CG2 3.78Å; L367-V425 HydrophobicContact CD2-CG2 4.23Å; L367-V425 HydrophobicContact CG-CG2 4.46Å; L367-V425 WeakPolarHBondContact O-CG2 3.21Å; V425-W447 CarbonylContact O-C 3.5Å; V425-W447 VanDerWaalsContact O-CA 3.23Å; V425-W447 WeakPolarHBondContact O-CA 3.42Å; V425-K448 PolarHBondContact N-O 3.07Å; V425-K448 PolarHBondContact O-N 2.97Å
426	S	97.3	Very high	95.8	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.084	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	134.2	176.1	-174.1	0	0	0	0	111.2	H428 T444	S426-H428 VanDerWaalsContact C-N 3.25Å; S426-H428 PolarHBondContact OG-N 2.9Å; S426-H428 VanDerWaalsContact OG-N 3.1Å; S426-H428 PolarHBondContact OG-ND1 3.29Å; S426-T444 WeakPolarHBondContact OG-CB 3.41Å; S426-T444 WeakPolarHBondContact OG-CG2 3.32Å
427	L	96.4	Very high	95.7	Very high	67 Å²	67	41.7 Å²	41.7	35%	0.351	23%	0.227	S	C	.	.			trans	-88.5	3.7	167.1	-72.7	169.1	0	0	0	112.4	N406 S429 Q446 K448	N406-L427 VanDerWaalsContact OD1-CD1 3.27Å; N406-L427 WeakPolarHBondContact OD1-CD1 3.46Å; L427-S429 PolarHBondContact O-N 3.14Å; L427-Q446 HydrophobicContact CB-CB 4.07Å; L427-Q446 HydrophobicContact CD1-CB 4.06Å; L427-Q446 PolarHBondContact N-O 3.25Å; L427-K448 HydrophobicContact CD1-CB 4.35Å; L427-K448 HydrophobicContact CD2-CB 4.03Å; L427-K448 HydrophobicContact CD2-CD 4.36Å; L427-K448 HydrophobicContact CG-CB 4.13Å
428	H	95.2	Very high	95.5	Very high	140 Å²	140	47.1 Å²	47.1	65%	0.648	25%	0.253	S	S	*	.			trans	53.3	22.5	-178.8	-55.1	-70.6	0	0	0	114	S426 K430	S426-H428 VanDerWaalsContact C-N 3.25Å; S426-H428 PolarHBondContact OG-N 2.9Å; S426-H428 VanDerWaalsContact OG-N 3.1Å; S426-H428 PolarHBondContact OG-ND1 3.29Å; H428-K430 PolarHBondContact O-N 3.18Å
429	S	94.3	Very high	95.4	Very high	31 Å²	31	49.4 Å²	49.4	22%	0.217	26%	0.264	C	S	.	.			trans	-65.9	123.1	173.4	174.8	0	0	0	0	109.2	L427 T444 N445	L427-S429 PolarHBondContact O-N 3.14Å; S429-T444 PolarHBondContact N-OG1 3.23Å; S429-T444 VanDerWaalsContact O-CA 3.24Å; S429-T444 WeakPolarHBondContact O-CA 3.34Å; S429-T444 PolarHBondContact O-OG1 3.42Å; S429-N445 PolarHBondContact OG-OD1 3.18Å
430	K	92.8	Very high	95.3	Very high	146 Å²	146	50.3 Å²	50.3	64%	0.635	27%	0.273	S	S	*	.			trans	-96.3	149.5	175	-59.4	-59.6	-175.8	-178.2	0	109.7	H428 G443	H428-K430 PolarHBondContact O-N 3.18Å; K430-G443 PolarHBondContact NZ-O 3.31Å
431	G	87.8	Confident	95.2	Very high	29 Å²	29	52.2 Å²	52.2	30%	0.299	28%	0.283	S	S	.	.			trans	-173.5	171	179.1	0	0	0	0	0	112.6	S433 V434	G431-S433 PolarHBondContact O-N 2.87Å; G431-V434 WeakPolarHBondContact O-CB 3.22Å; G431-V434 PolarHBondContact O-N 2.95Å
432	P	89.7	Confident	95.1	Very high	105 Å²	105	52.4 Å²	52.4	68%	0.682	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.7	-179.2	26.2	-34.7	0	0	0	113.1	K416 V434	K416-P432 WeakPolarHBondContact CE-O 3.1Å; P432-V434 VanDerWaalsContact C-N 3.31Å
433	S	92.6	Very high	95.1	Very high	17 Å²	17	52.1 Å²	52.1	12%	0.119	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-6.3	176.1	-64.6	0	0	0	0	113.9	T411 K416 V417 G431	T411-S433 VanDerWaalsContact OG1-CB 3.29Å; T411-S433 WeakPolarHBondContact OG1-CB 3.47Å; T411-S433 PolarHBondContact OG1-OG 3.29Å; K416-S433 CarbonylContact C-O 3.54Å; K416-S433 VanDerWaalsContact CA-O 3.28Å; K416-S433 WeakPolarHBondContact CA-O 3.37Å; V417-S433 WeakPolarHBondContact CB-O 3.28Å; V417-S433 PolarHBondContact N-O 3.24Å; G431-S433 PolarHBondContact O-N 2.87Å
434	V	97.1	Very high	95.2	Very high	16 Å²	16	51.9 Å²	51.9	10%	0.097	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-86.7	126.6	-178.2	-177.1	0	0	0	0	110.2	K416 G431 P432 N445	K416-V434 WeakPolarHBondContact CD-O 3.42Å; G431-V434 WeakPolarHBondContact O-CB 3.22Å; G431-V434 PolarHBondContact O-N 2.95Å; P432-V434 VanDerWaalsContact C-N 3.31Å; V434-N445 HydrophobicContact CG2-CB 3.96Å
435	S	96.8	Very high	95.2	Very high	8 Å²	8	52.4 Å²	52.4	6%	0.056	28%	0.284	C	S	.	.			trans	-77.2	154.3	174.2	-166.8	0	0	0	0	111.7	V417 N437 E463	V417-S435 WeakPolarHBondContact O-CB 3.43Å; V417-S435 PolarHBondContact O-N 3.48Å; S435-N437 VanDerWaalsContact C-N 3.34Å; S435-N437 PolarHBondContact OG-N 3.1Å; S435-N437 VanDerWaalsContact OG-N 3.12Å; S435-E463 PolarHBondContact OG-OE2 3.32Å
436	E	94.7	Very high	95.2	Very high	180 Å²	180	53.1 Å²	53.1	84%	0.841	29%	0.286	S	S	*	.	S	Bend	trans	-79.6	-21.5	167.3	-64.6	174.4	-177.6	0	0	111.5	E438	E436-E438 PolarHBondContact O-N 3.44Å
437	N	94.7	Very high	95.3	Very high	78 Å²	78	52.5 Å²	52.5	42%	0.417	28%	0.282	S	S	.	.	S	Bend	trans	-89.2	103.3	175.5	-174.7	18.9	0	0	0	110	C418 S435	C418-N437 WeakPolarHBondContact CA-O 3.43Å; C418-N437 WeakPolarHBondContact CB-O 3.33Å; S435-N437 VanDerWaalsContact C-N 3.34Å; S435-N437 PolarHBondContact OG-N 3.1Å; S435-N437 VanDerWaalsContact OG-N 3.12Å
438	E	95.2	Very high	95.3	Very high	115 Å²	115	51 Å²	51	54%	0.537	27%	0.272	S	S	.	.			trans	-85	132.7	-176.1	-62	-170.1	-175.7	0	0	112.1	C418 E436 G443	C418-E438 WeakPolarHBondContact O-CA 3.27Å; E436-E438 PolarHBondContact O-N 3.44Å; E438-G443 WeakPolarHBondContact OE1-CA 3.12Å; E438-G443 PolarHBondContact OE1-N 3.33Å
439	M	94.9	Very high	95.5	Very high	49 Å²	49	44.3 Å²	44.3	24%	0.241	24%	0.241	C	C	.	.			trans	-129.1	119.8	172.3	-67.3	-173	-176.8	0	0	109.9	C418 G419 Y461 L530	C418-M439 HydrophobicContact CB-CB 3.95Å; C418-M439 HydrophobicContact CB-CG 3.98Å; C418-M439 HydrophobicContact CB-SD 4.38Å; C418-M439 PolarHBondContact O-N 3.22Å; C418-M439 VanDerWaalsContact O-N 3.11Å; G419-M439 CarbonylContact C-O 3.51Å; G419-M439 WeakPolarHBondContact CA-O 3.44Å; M439-Y461 HydrophobicContact CB-CG 4.29Å; M439-Y461 HydrophobicContact SD-CD1 4.28Å; M439-Y461 HydrophobicContact SD-CG 4.33Å; M439-L530 HydrophobicContact CB-CD2 4.46Å
440	G	95.8	Very high	95.6	Very high	19 Å²	19	42.9 Å²	42.9	20%	0.196	23%	0.231	C	C	.	.	S	Bend	trans	71	-135.3	-174.5	0	0	0	0	0	111.8	G442	G440-G442 VanDerWaalsContact C-N 3.32Å; G440-G442 PolarHBondContact O-N 3.46Å
441	I	96.6	Very high	95.9	Very high	40 Å²	40	36 Å²	36	21%	0.205	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	82.4	175	-53.9	175.7	0	0	0	108.2	G419 A420 C424 W447	G419-I441 WeakPolarHBondContact CA-O 3.47Å; A420-I441 PolarHBondContact N-O 3.31Å; A420-I441 WeakPolarHBondContact O-CB 3.38Å; A420-I441 PolarHBondContact O-N 3.13Å; C424-I441 WeakPolarHBondContact O-CD1 3.34Å; I441-W447 PolarHBondContact O-NE1 2.98Å
442	G	96.8	Very high	96.2	Very high	9 Å²	9	34.6 Å²	34.6	9%	0.093	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-161.4	-173.9	0	0	0	0	0	115.2	C418 G440 T444	C418-G442 VanDerWaalsContact O-CA 3.3Å; C418-G442 WeakPolarHBondContact O-CA 3.46Å; G440-G442 VanDerWaalsContact C-N 3.32Å; G440-G442 PolarHBondContact O-N 3.46Å; G442-T444 PolarHBondContact O-N 3.42Å; G442-T444 VanDerWaalsContact O-N 3.13Å
443	G	97.1	Very high	96.5	Very high	4 Å²	4	30.3 Å²	30.3	4%	0.041	16%	0.158	C	C	.	.	S	Bend	trans	67.5	14	175.7	0	0	0	0	0	114.4	K430 E438	K430-G443 PolarHBondContact NZ-O 3.31Å; E438-G443 WeakPolarHBondContact OE1-CA 3.12Å; E438-G443 PolarHBondContact OE1-N 3.33Å
444	T	98.1	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.			trans	-151.9	166.1	179.6	-163.9	0	0	0	0	112.2	S426 S429 G442 Q446 W447	S426-T444 WeakPolarHBondContact OG-CB 3.41Å; S426-T444 WeakPolarHBondContact OG-CG2 3.32Å; S429-T444 PolarHBondContact N-OG1 3.23Å; S429-T444 VanDerWaalsContact O-CA 3.24Å; S429-T444 WeakPolarHBondContact O-CA 3.34Å; S429-T444 PolarHBondContact O-OG1 3.42Å; G442-T444 PolarHBondContact O-N 3.42Å; G442-T444 VanDerWaalsContact O-N 3.13Å; T444-Q446 VanDerWaalsContact CG2-O 3.24Å; T444-Q446 WeakPolarHBondContact CG2-O 3.5Å; T444-Q446 PolarHBondContact OG1-N 3.05Å; T444-Q446 VanDerWaalsContact OG1-N 3.15Å; T444-Q446 PolarHBondContact OG1-O 2.82Å; T444-W447 HydrophobicContact CG2-CD2 4.18Å; T444-W447 HydrophobicContact CG2-CG 4.45Å; T444-W447 HydrophobicContact CG2-CZ2 4.06Å
445	N	97.1	Very high	96.6	Very high	11 Å²	11	32 Å²	32	6%	0.059	17%	0.171	C	C	.	.	S	Bend	trans	-118	10.7	165.5	72.3	-35.3	0	0	0	112.4	V409 S429 V434	V409-N445 PolarHBondContact N-O 3Å; V409-N445 PolarHBondContact O-ND2 2.86Å; V409-N445 VanDerWaalsContact O-ND2 3.17Å; S429-N445 PolarHBondContact OG-OD1 3.18Å; V434-N445 HydrophobicContact CG2-CB 3.96Å
446	Q	98.2	Very high	96.6	Very high	39 Å²	39	31.7 Å²	31.7	18%	0.182	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.2	178	-65.5	-171.4	4.5	0	0	111.5	L407 E408 L427 T444	L407-Q446 CarbonylContact O-C 3.56Å; L407-Q446 VanDerWaalsContact O-CA 3.22Å; L407-Q446 WeakPolarHBondContact O-CA 3.34Å; E408-Q446 HydrophobicContact CB-CG 3.91Å; E408-Q446 HydrophobicContact CG-CG 3.81Å; E408-Q446 PolarHBondContact OE1-NE2 2.82Å; L427-Q446 HydrophobicContact CB-CB 4.07Å; L427-Q446 HydrophobicContact CD1-CB 4.06Å; L427-Q446 PolarHBondContact N-O 3.25Å; T444-Q446 VanDerWaalsContact CG2-O 3.24Å; T444-Q446 WeakPolarHBondContact CG2-O 3.5Å; T444-Q446 PolarHBondContact OG1-N 3.05Å; T444-Q446 VanDerWaalsContact OG1-N 3.15Å; T444-Q446 PolarHBondContact OG1-O 2.82Å
447	W	98.6	Very high	96.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.7	177.5	-59.9	-96.5	0	0	0	111.9	N406 L407 V409 V417 A420 C424 V425 I441 T444	N406-W447 WeakPolarHBondContact CA-O 3.33Å; L407-W447 HydrophobicContact CD2-CE3 4.42Å; L407-W447 HydrophobicContact CG-CE3 4.46Å; L407-W447 PolarHBondContact N-O 2.98Å; L407-W447 PolarHBondContact O-N 2.83Å; V409-W447 HydrophobicContact CB-CZ3 4.28Å; V409-W447 HydrophobicContact CG2-CZ3 3.74Å; V417-W447 HydrophobicContact CG1-CH2 3.47Å; V417-W447 VanDerWaalsContact CG1-CH2 3.47Å; V417-W447 HydrophobicContact CG1-CZ2 4.17Å; V417-W447 HydrophobicContact CG1-CZ3 4.42Å; A420-W447 HydrophobicContact CB-CD2 4.23Å; A420-W447 HydrophobicContact CB-CH2 4.12Å; A420-W447 HydrophobicContact CB-CZ2 3.64Å; C424-W447 HydrophobicContact CB-CB 3.93Å; C424-W447 HydrophobicContact CB-CG 4.4Å; V425-W447 CarbonylContact O-C 3.5Å; V425-W447 VanDerWaalsContact O-CA 3.23Å; V425-W447 WeakPolarHBondContact O-CA 3.42Å; I441-W447 PolarHBondContact O-NE1 2.98Å; T444-W447 HydrophobicContact CG2-CD2 4.18Å; T444-W447 HydrophobicContact CG2-CG 4.45Å; T444-W447 HydrophobicContact CG2-CZ2 4.06Å
448	K	98.1	Very high	97	Very high	35 Å²	35	19.4 Å²	19.4	15%	0.152	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	133	171.4	-164.8	170.7	-170.3	178.9	0	110	A340 V341 G405 C424 V425 L427	A340-K448 WeakPolarHBondContact O-CD 3.41Å; A340-K448 PolarHBondContact O-NZ 3.44Å; V341-K448 PolarHBondContact O-NZ 2.86Å; G405-K448 CarbonylContact O-C 3.53Å; G405-K448 VanDerWaalsContact O-CA 3.3Å; G405-K448 WeakPolarHBondContact O-CA 3.44Å; C424-K448 CarbonylContact C-O 3.23Å; C424-K448 WeakPolarHBondContact CA-O 3.35Å; V425-K448 PolarHBondContact N-O 3.07Å; V425-K448 PolarHBondContact O-N 2.97Å; L427-K448 HydrophobicContact CD1-CB 4.35Å; L427-K448 HydrophobicContact CD2-CB 4.03Å; L427-K448 HydrophobicContact CD2-CD 4.36Å; L427-K448 HydrophobicContact CG-CB 4.13Å
449	L	98	Very high	97.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	102.4	173.4	-63.9	96.5	0	0	0	107.3	G405 L407 C424 S451 L452 T456 L458	G405-L449 WeakPolarHBondContact CA-O 3.46Å; G405-L449 PolarHBondContact N-O 3.12Å; G405-L449 PolarHBondContact O-N 3.18Å; L407-L449 HydrophobicContact CB-CD1 3.69Å; C424-L449 HydrophobicContact CB-CG 4.12Å; L449-S451 PolarHBondContact O-N 2.96Å; L449-L452 HydrophobicContact CB-CD2 3.67Å; L449-L452 HydrophobicContact CD2-CB 4.46Å; L449-L452 WeakPolarHBondContact O-CD2 3.32Å; L449-T456 HydrophobicContact CD2-CG2 4.25Å; L449-L458 HydrophobicContact CD2-CD1 4.18Å; L449-L458 HydrophobicContact CD2-CD2 4.41Å; L449-L458 HydrophobicContact CD2-CG 4.48Å
450	C	97.8	Very high	97.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-35.7	-170.1	-54.9	0	0	0	0	112.5	A340 T368 F403 G404	A340-C450 VanDerWaalsContact CA-SG 3.55Å; A340-C450 PolarHBondContact O-SG 3.16Å; T368-C450 VanDerWaalsContact O-CB 3.3Å; T368-C450 WeakPolarHBondContact O-CB 3.22Å; T368-C450 PolarHBondContact O-N 2.95Å; F403-C450 CarbonylContact C-O 3.46Å; F403-C450 VanDerWaalsContact CA-O 3.31Å; F403-C450 WeakPolarHBondContact CA-O 3.42Å; G404-C450 PolarHBondContact N-O 3.07Å
451	S	97.2	Very high	97.5	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.007	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.3	166.8	176.9	0	0	0	0	109	S345 T368 A402 L449	S345-S451 VanDerWaalsContact CB-CB 3.48Å; T368-S451 PolarHBondContact O-N 3.22Å; A402-S451 CarbonylContact O-C 3.55Å; A402-S451 WeakPolarHBondContact O-CA 3.37Å; L449-S451 PolarHBondContact O-N 2.96Å
452	L	96.1	Very high	97.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.9	174.4	54.8	138	0	0	0	110.2	L45 A402 L449 T456	L45-L452 HydrophobicContact CD1-CD1 3.23Å; L45-L452 HydrophobicContact CD1-CG 4.07Å; L45-L452 HydrophobicContact CD2-CD1 4.22Å; L45-L452 HydrophobicContact CG-CD1 3.41Å; L45-L452 VanDerWaalsContact CG-CD1 3.41Å; A402-L452 HydrophobicContact CB-CD1 4.21Å; A402-L452 HydrophobicContact CB-CG 3.91Å; A402-L452 PolarHBondContact N-O 3.04Å; A402-L452 PolarHBondContact O-N 3.08Å; L449-L452 HydrophobicContact CB-CD2 3.67Å; L449-L452 HydrophobicContact CD2-CB 4.46Å; L449-L452 WeakPolarHBondContact O-CD2 3.32Å; L452-T456 HydrophobicContact CB-CG2 4.12Å
453	D	95.3	Very high	97.5	Very high	15 Å²	15	9.6 Å²	9.6	8%	0.08	5%	0.053	C	C	.	.			trans	-130	171.1	-179.1	57.6	50.8	0	0	0	109.5	H371 S455 T456 R610	H371-D453 IonicContact CE1-OD2 2.73Å; D453-S455 PolarHBondContact O-N 3Å; D453-S455 VanDerWaalsContact O-N 3.1Å; D453-S455 WeakPolarHBondContact OD1-CA 3.4Å; D453-S455 WeakPolarHBondContact OD1-CB 3.5Å; D453-S455 PolarHBondContact OD1-N 3.44Å; D453-S455 PolarHBondContact OD1-OG 2.91Å; D453-T456 PolarHBondContact N-OG1 2.87Å; D453-T456 VanDerWaalsContact O-CB 3.32Å; D453-T456 WeakPolarHBondContact O-CB 3.38Å; D453-T456 PolarHBondContact O-N 2.82Å; D453-T456 PolarHBondContact O-OG1 2.82Å; D453-T456 PolarHBondContact OD1-N 3.41Å; D453-T456 PolarHBondContact OD1-OG1 2.88Å; D453-T456 PolarHBondContact OD2-OG1 2.98Å; D453-R610 IonicContact OD2-NH2 3.98Å; D453-R610 PolarHBondContact OD2-NH2 2.93Å
454	P	95.3	Very high	97.5	Very high	32 Å²	32	9.5 Å²	9.5	21%	0.208	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.6	-179.5	-24.3	34.8	0	0	0	115.7	T43 L45 E47 R400	T43-P454 WeakPolarHBondContact CG2-O 3.32Å; L45-P454 WeakPolarHBondContact O-CA 3.21Å; L45-P454 WeakPolarHBondContact O-CB 3.49Å; E47-P454 HydrophobicContact CG-CB 3.58Å; E47-P454 HydrophobicContact CG-CG 3.97Å; R400-P454 HydrophobicContact CB-CG 4.3Å; R400-P454 WeakPolarHBondContact O-CD 3.32Å
455	S	95.3	Very high	97.3	Very high	38 Å²	38	11.4 Å²	11.4	27%	0.266	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-8.2	176.3	70.1	0	0	0	0	113.6	D453 T457 R610	D453-S455 PolarHBondContact O-N 3Å; D453-S455 VanDerWaalsContact O-N 3.1Å; D453-S455 WeakPolarHBondContact OD1-CA 3.4Å; D453-S455 WeakPolarHBondContact OD1-CB 3.5Å; D453-S455 PolarHBondContact OD1-N 3.44Å; D453-S455 PolarHBondContact OD1-OG 2.91Å; S455-T457 PolarHBondContact O-N 3.05Å; S455-T457 VanDerWaalsContact O-N 3.14Å; S455-T457 PolarHBondContact O-OG1 3.3Å; S455-R610 VanDerWaalsContact O-O 3.12Å
456	T	98.2	Very high	97.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.			trans	-67.3	114	-175.8	-63.2	0	0	0	0	109.9	P44 P423 L449 L452 D453	P44-T456 WeakPolarHBondContact CD-O 3.12Å; P423-T456 HydrophobicContact CG-CG2 3.83Å; L449-T456 HydrophobicContact CD2-CG2 4.25Å; L452-T456 HydrophobicContact CB-CG2 4.12Å; D453-T456 PolarHBondContact N-OG1 2.87Å; D453-T456 VanDerWaalsContact O-CB 3.32Å; D453-T456 WeakPolarHBondContact O-CB 3.38Å; D453-T456 PolarHBondContact O-N 2.82Å; D453-T456 PolarHBondContact O-OG1 2.82Å; D453-T456 PolarHBondContact OD1-N 3.41Å; D453-T456 PolarHBondContact OD1-OG1 2.88Å; D453-T456 PolarHBondContact OD2-OG1 2.98Å
457	T	98.7	Very high	96.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.			trans	-122.7	127.2	-177.5	-57.7	0	0	0	0	111.5	L41 F42 T43 S455 R529 R610 Q611 D612	L41-T457 HydrophobicContact CB-CG2 3.84Å; L41-T457 HydrophobicContact CD2-CG2 4.22Å; F42-T457 CarbonylContact O-C 3.57Å; F42-T457 WeakPolarHBondContact O-CA 3.27Å; T43-T457 PolarHBondContact OG1-OG1 2.93Å; S455-T457 PolarHBondContact O-N 3.05Å; S455-T457 VanDerWaalsContact O-N 3.14Å; S455-T457 PolarHBondContact O-OG1 3.3Å; T457-R529 PolarHBondContact O-NH1 2.88Å; T457-R529 PolarHBondContact O-NH2 3.37Å; T457-R610 PolarHBondContact N-O 3.05Å; T457-Q611 WeakPolarHBondContact CB-O 3.18Å; T457-D612 WeakPolarHBondContact OG1-CA 3.45Å
458	L	98.6	Very high	96	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	143.7	173.9	-60.2	-178.7	0	0	0	111.2	L41 F42 L407 P423 C424 L449 V460 R529	L41-L458 CarbonylContact C-O 3.58Å; L41-L458 WeakPolarHBondContact CA-O 3.34Å; F42-L458 PolarHBondContact N-O 3.41Å; F42-L458 PolarHBondContact O-N 3.45Å; L407-L458 HydrophobicContact CD2-CD1 3.45Å; L407-L458 VanDerWaalsContact CD2-CD1 3.45Å; P423-L458 HydrophobicContact CG-CD2 4.44Å; C424-L458 HydrophobicContact CB-CD2 4.33Å; L449-L458 HydrophobicContact CD2-CD1 4.18Å; L449-L458 HydrophobicContact CD2-CD2 4.41Å; L449-L458 HydrophobicContact CD2-CG 4.48Å; L458-V460 HydrophobicContact CB-CG2 4.32Å; L458-R529 VanDerWaalsContact C-NH1 3.33Å
459	G	98.6	Very high	95.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.4	165.8	0	0	0	0	0	108.5	C40 A420 I421 Y461	C40-G459 CarbonylContact O-C 3.6Å; C40-G459 WeakPolarHBondContact O-CA 3.3Å; A420-G459 CarbonylContact C-O 3.51Å; A420-G459 WeakPolarHBondContact CA-O 3.3Å; I421-G459 PolarHBondContact N-O 3.19Å; I421-G459 PolarHBondContact O-N 3.43Å; G459-Y461 WeakPolarHBondContact O-CE2 3.43Å
460	V	98.8	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.4	-179.5	-171.6	0	0	0	0	109.1	S39 C40 L458 F462 F482	S39-V460 CarbonylContact C-O 3.59Å; S39-V460 WeakPolarHBondContact CA-O 3.27Å; S39-V460 VanDerWaalsContact CB-O 3.31Å; S39-V460 WeakPolarHBondContact CB-O 3.43Å; C40-V460 PolarHBondContact N-O 2.77Å; C40-V460 PolarHBondContact O-N 2.97Å; L458-V460 HydrophobicContact CB-CG2 4.32Å; V460-F462 HydrophobicContact CB-CE2 4.1Å; V460-F462 HydrophobicContact CB-CZ 3.97Å; V460-F462 HydrophobicContact CG1-CE1 3.83Å; V460-F462 HydrophobicContact CG1-CE2 3.91Å; V460-F462 HydrophobicContact CG1-CZ 3.4Å; V460-F462 VanDerWaalsContact CG1-CZ 3.4Å; V460-F482 HydrophobicContact CG2-CE1 4.37Å
461	Y	98.6	Very high	94.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.1	-173.7	-58.8	-93	0	0	0	110.4	P37 C418 G419 I421 M439 G459 L526 R529 L530	P37-Y461 HydrophobicContact CG-CD1 4Å; P37-Y461 HydrophobicContact CG-CE1 4.48Å; C418-Y461 WeakPolarHBondContact CB-O 3.49Å; C418-Y461 PolarHBondContact N-O 2.82Å; G419-Y461 PolarHBondContact O-N 2.77Å; I421-Y461 HydrophobicContact CB-CE2 4.03Å; I421-Y461 HydrophobicContact CD1-CE2 3.65Å; I421-Y461 HydrophobicContact CG1-CD2 4.49Å; I421-Y461 HydrophobicContact CG1-CE2 3.73Å; M439-Y461 HydrophobicContact CB-CG 4.29Å; M439-Y461 HydrophobicContact SD-CD1 4.28Å; M439-Y461 HydrophobicContact SD-CG 4.33Å; G459-Y461 WeakPolarHBondContact O-CE2 3.43Å; Y461-L526 HydrophobicContact CE1-CB 4.37Å; Y461-L526 HydrophobicContact CE1-CD2 4.31Å; Y461-L526 PolarHBondContact OH-O 2.89Å; Y461-R529 WeakPolarHBondContact OH-CB 3.26Å; Y461-L530 HydrophobicContact CD1-CD1 4.18Å; Y461-L530 HydrophobicContact CD1-CD2 4.44Å; Y461-L530 HydrophobicContact CD1-CG 4.42Å; Y461-L530 HydrophobicContact CE1-CD1 3.6Å; Y461-L530 HydrophobicContact CE1-CD2 4Å; Y461-L530 HydrophobicContact CE1-CG 3.61Å
462	F	98.3	Very high	93.5	Very high	5 Å²	5	36 Å²	36	2%	0.022	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	160.1	-175.6	-52.5	-85.4	0	0	0	112.1	F19 V38 V409 T411 L415 K416 V417 C418 V460 I480 F482	F19-F462 HydrophobicContact CE1-CD2 4.43Å; F19-F462 HydrophobicContact CE1-CE2 4.12Å; V38-F462 HydrophobicContact CG1-CB 4.45Å; V38-F462 WeakPolarHBondContact O-CA 3.19Å; V38-F462 WeakPolarHBondContact O-CB 3.31Å; V38-F462 PolarHBondContact O-N 3.46Å; V409-F462 HydrophobicContact CG1-CE1 4.06Å; T411-F462 HydrophobicContact CG2-CD1 4.29Å; T411-F462 HydrophobicContact CG2-CE1 4.17Å; L415-F462 HydrophobicContact CD1-CB 3.82Å; L415-F462 HydrophobicContact CD2-CB 4.12Å; L415-F462 HydrophobicContact CD2-CD1 3.9Å; L415-F462 HydrophobicContact CD2-CG 4.04Å; L415-F462 HydrophobicContact CG-CB 3.97Å; L415-F462 HydrophobicContact CG-CD1 4.28Å; L415-F462 HydrophobicContact CG-CG 4.37Å; K416-F462 CarbonylContact O-C 3.57Å; K416-F462 WeakPolarHBondContact O-CA 3.33Å; K416-F462 WeakPolarHBondContact O-CB 3.17Å; V417-F462 HydrophobicContact CG2-CD1 4.14Å; V417-F462 HydrophobicContact CG2-CE1 4.08Å; C418-F462 VanDerWaalsContact SG-C 3.55Å; V460-F462 HydrophobicContact CB-CE2 4.1Å; V460-F462 HydrophobicContact CB-CZ 3.97Å; V460-F462 HydrophobicContact CG1-CE1 3.83Å; V460-F462 HydrophobicContact CG1-CE2 3.91Å; V460-F462 HydrophobicContact CG1-CZ 3.4Å; V460-F462 VanDerWaalsContact CG1-CZ 3.4Å; F462-I480 HydrophobicContact CD1-CD1 4.41Å; F462-I480 HydrophobicContact CD2-CD1 4.41Å; F462-I480 HydrophobicContact CE1-CD1 3.97Å; F462-I480 HydrophobicContact CE1-CG1 4.46Å; F462-I480 HydrophobicContact CE1-CG2 4.34Å; F462-I480 HydrophobicContact CE2-CD1 3.98Å; F462-I480 HydrophobicContact CZ-CD1 3.74Å; F462-I480 HydrophobicContact CZ-CG2 4.31Å; F462-F482 HydrophobicContact CZ-CE1 4.4Å; F462-F482 HydrophobicContact CZ-CZ 4.19Å
463	E	96.1	Very high	92.8	Very high	22 Å²	22	36.5 Å²	36.5	10%	0.103	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.5	174.3	175.8	175.4	-168.6	0	0	110.1	R28 L415 K416 C418 S435 V465	R28-E463 IonicContact CZ-OE1 3.84Å; R28-E463 IonicContact NE-OE1 3.48Å; R28-E463 PolarHBondContact NE-OE1 2.9Å; R28-E463 IonicContact NH2-OE1 3.73Å; R28-E463 PolarHBondContact NH2-OE1 3.03Å; L415-E463 CarbonylContact C-O 3.44Å; L415-E463 WeakPolarHBondContact CA-O 3.34Å; K416-E463 PolarHBondContact N-O 2.97Å; K416-E463 PolarHBondContact O-N 3.25Å; C418-E463 VanDerWaalsContact SG-CB 3.53Å; S435-E463 PolarHBondContact OG-OE2 3.32Å; E463-V465 HydrophobicContact CG-CG1 4.13Å
464	V	95.9	Very high	91.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.7	168.5	-178.7	0	0	0	0	108.3	P25 R28 A31 V38 E414 L415 N466 W504	P25-V464 HydrophobicContact CG-CG2 4.4Å; R28-V464 WeakPolarHBondContact CA-O 3.42Å; R28-V464 WeakPolarHBondContact CB-O 3.44Å; R28-V464 WeakPolarHBondContact CG-O 3.18Å; A31-V464 HydrophobicContact CB-CB 3.85Å; A31-V464 HydrophobicContact CB-CG2 4.01Å; V38-V464 HydrophobicContact CG2-CG2 4.44Å; E414-V464 WeakPolarHBondContact O-CA 3.4Å; L415-V464 HydrophobicContact CD1-CG2 4.02Å; V464-N466 HydrophobicContact CG1-CB 4.31Å; V464-W504 HydrophobicContact CG1-CH2 4.37Å; V464-W504 HydrophobicContact CG1-CZ3 4Å; V464-W504 HydrophobicContact CG2-CH2 4.28Å; V464-W504 HydrophobicContact CG2-CZ3 3.85Å
465	V	95.1	Very high	90.7	Very high	41 Å²	41	45 Å²	45	25%	0.248	26%	0.263	C	S	.	.			trans	-107.4	-4.1	-178.2	-64.9	0	0	0	0	113.9	R413 E414 K416 E463	R413-V465 WeakPolarHBondContact O-CG2 3.39Å; E414-V465 WeakPolarHBondContact O-CG2 3.2Å; E414-V465 PolarHBondContact O-N 2.85Å; K416-V465 HydrophobicContact CB-CG1 4.16Å; K416-V465 HydrophobicContact CD-CG1 3.74Å; K416-V465 HydrophobicContact CD-CG2 4.47Å; K416-V465 HydrophobicContact CG-CG1 3.71Å; K416-V465 HydrophobicContact CG-CG2 4.02Å; E463-V465 HydrophobicContact CG-CG1 4.13Å
466	N	92.6	Very high	90.2	Very high	26 Å²	26	44.5 Å²	44.5	14%	0.139	26%	0.263	C	S	.	.			trans	-61.9	138	177.8	-165.4	35.4	0	0	0	111.3	S26 R28 E414 V464 A470	S26-N466 VanDerWaalsContact O-CB 3.3Å; S26-N466 WeakPolarHBondContact O-CB 3.45Å; S26-N466 PolarHBondContact O-ND2 2.78Å; R28-N466 PolarHBondContact N-O 2.67Å; E414-N466 HydrophobicContact CB-CB 4.05Å; E414-N466 HydrophobicContact CG-CB 4.01Å; V464-N466 HydrophobicContact CG1-CB 4.31Å; N466-A470 VanDerWaalsContact OD1-CB 3.23Å; N466-A470 WeakPolarHBondContact OD1-CB 3.3Å
467	Q	88.7	Confident	89.9	Confident	152 Å²	152	51.5 Å²	51.5	71%	0.71	29%	0.29	S	S	*	.			trans	-70.7	152.6	-176.3	-65.1	-173.7	-1	0	0	111.3	N469 A470	Q467-N469 VanDerWaalsContact C-N 3.32Å; Q467-N469 PolarHBondContact O-N 2.76Å; Q467-A470 HydrophobicContact CB-CB 4.15Å; Q467-A470 VanDerWaalsContact O-CB 3.32Å; Q467-A470 WeakPolarHBondContact O-CB 3.32Å; Q467-A470 PolarHBondContact O-N 2.69Å
468	H	83.8	Confident	89.8	Confident	68 Å²	68	51.5 Å²	51.5	32%	0.315	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-39.3	-175	-171.5	64.7	0	0	0	114.5	S27 L29 A470 Q508	S27-H468 PolarHBondContact OG-ND1 2.91Å; S27-H468 VanDerWaalsContact OG-ND1 3.14Å; L29-H468 HydrophobicContact CB-CB 4.44Å; H468-A470 VanDerWaalsContact C-N 3.34Å; H468-Q508 PolarHBondContact NE2-NE2 2.85Å
469	N	84.4	Confident	89.7	Confident	154 Å²	154	51.8 Å²	51.8	82%	0.824	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	5.2	179.9	-60.1	-20	0	0	0	112.8	Q467	Q467-N469 VanDerWaalsContact C-N 3.32Å; Q467-N469 PolarHBondContact O-N 2.76Å
470	A	86.3	Confident	89.7	Confident	27 Å²	27	51.8 Å²	51.8	22%	0.223	29%	0.292	C	S	.	.	S	Bend	trans	-75.8	143.6	177.8	0	0	0	0	0	110	N466 Q467 H468	N466-A470 VanDerWaalsContact OD1-CB 3.23Å; N466-A470 WeakPolarHBondContact OD1-CB 3.3Å; Q467-A470 HydrophobicContact CB-CB 4.15Å; Q467-A470 VanDerWaalsContact O-CB 3.32Å; Q467-A470 WeakPolarHBondContact O-CB 3.32Å; Q467-A470 PolarHBondContact O-N 2.69Å; H468-A470 VanDerWaalsContact C-N 3.34Å
471	P	85.2	Confident	89.7	Confident	109 Å²	109	51.8 Å²	51.8	71%	0.708	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-62.2	158.5	176.3	27.8	-35.1	0	0	0	110.9
472	V	83.8	Confident	89.7	Confident	67 Å²	67	51.8 Å²	51.8	41%	0.406	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-54.1	132.4	169.5	178.1	0	0	0	0	108.8	W504	V472-W504 HydrophobicContact CG1-CB 3.78Å; V472-W504 HydrophobicContact CG1-CG 4.5Å
473	P	82.1	Confident	89.7	Confident	10 Å²	10	51.9 Å²	51.9	7%	0.065	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-54.3	147.4	-176.9	-31.6	39.7	0	0	0	113.7	E414 G475 G476 W504	E414-P473 HydrophobicContact CB-CG 4.28Å; E414-P473 HydrophobicContact CG-CB 4.26Å; E414-P473 HydrophobicContact CG-CG 3.59Å; P473-G475 PolarHBondContact O-N 2.91Å; P473-G476 PolarHBondContact O-N 3.29Å; P473-W504 HydrophobicContact CG-CD2 4.39Å; P473-W504 HydrophobicContact CG-CG 4.23Å
474	Q	70.2	Confident	89.9	Confident	149 Å²	149	50.9 Å²	50.9	70%	0.696	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	131.1	178.5	-77.3	-174.5	-16.5	0	0	111	G476	Q474-G476 VanDerWaalsContact C-N 3.33Å
475	G	74.8	Confident	89.9	Confident	76 Å²	76	55 Å²	55	78%	0.784	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-4.3	-174.6	0	0	0	0	0	114.7	P473 R477	P473-G475 PolarHBondContact O-N 2.91Å; G475-R477 PolarHBondContact O-N 3.06Å
476	G	86.5	Confident	90	Very high	27 Å²	27	53.3 Å²	53.3	28%	0.278	30%	0.297	S	S	.	.	S	Bend	trans	66.3	6.5	171.5	0	0	0	0	0	115.3	P473 Q474 N503 W504	P473-G476 PolarHBondContact O-N 3.29Å; Q474-G476 VanDerWaalsContact C-N 3.33Å; G476-N503 WeakPolarHBondContact O-CA 3.43Å; G476-W504 PolarHBondContact O-N 2.87Å
477	R	91.9	Very high	90.1	Very high	148 Å²	148	52.1 Å²	52.1	56%	0.558	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.3	-174.2	-68.6	-179.7	-179.1	175.5	6.3	111.3	G475 A501 R502 N503 W504	G475-R477 PolarHBondContact O-N 3.06Å; R477-A501 HydrophobicContact CB-CB 4.34Å; R477-R502 CarbonylContact C-O 3.54Å; R477-R502 VanDerWaalsContact CA-O 3.25Å; R477-R502 WeakPolarHBondContact CA-O 3.38Å; R477-N503 WeakPolarHBondContact CG-OD1 3.23Å; R477-N503 PolarHBondContact NE-OD1 3.03Å; R477-W504 VanDerWaalsContact C-CD1 3.44Å; R477-W504 PolarHBondContact O-NE1 3.29Å
478	G	95.2	Very high	90.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	140.5	166.1	0	0	0	0	0	109.1	W24 A501 R502	W24-G478 WeakPolarHBondContact CZ3-O 3.41Å; G478-A501 CarbonylContact O-C 3.49Å; G478-A501 WeakPolarHBondContact O-CA 3.43Å; G478-R502 PolarHBondContact N-O 3.32Å; G478-R502 PolarHBondContact O-N 3.02Å
479	A	97.5	Very high	90.9	Very high	6 Å²	6	42.8 Å²	42.8	5%	0.05	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.4	179.8	0	0	0	0	0	111.2	L73 N86 F87 S412 I500	L73-A479 HydrophobicContact CD1-CB 3.95Å; N86-A479 WeakPolarHBondContact ND2-CB 3.24Å; F87-A479 HydrophobicContact CE1-CB 3.88Å; F87-A479 HydrophobicContact CZ-CB 3.99Å; S412-A479 PolarHBondContact N-O 3.06Å; S412-A479 PolarHBondContact OG-N 3.34Å; S412-A479 PolarHBondContact OG-O 3.34Å; A479-I500 VanDerWaalsContact CA-O 3.3Å; A479-I500 WeakPolarHBondContact CA-O 3.49Å
480	I	98.6	Very high	91.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.9	170.3	-57.3	162.1	0	0	0	107.3	F19 W24 V409 K410 T411 L415 F462 F482 T499 I500	F19-I480 HydrophobicContact CE1-CD1 3.98Å; F19-I480 HydrophobicContact CZ-CD1 3.75Å; W24-I480 HydrophobicContact CH2-CD1 3.54Å; W24-I480 HydrophobicContact CH2-CG1 3.99Å; W24-I480 HydrophobicContact CZ2-CD1 3.96Å; W24-I480 HydrophobicContact CZ3-CD1 4.48Å; V409-I480 HydrophobicContact CG1-CG2 3.85Å; K410-I480 CarbonylContact O-C 3.57Å; K410-I480 WeakPolarHBondContact O-CA 3.14Å; T411-I480 HydrophobicContact CG2-CG1 4.31Å; T411-I480 HydrophobicContact CG2-CG2 4.47Å; L415-I480 HydrophobicContact CD2-CD1 3.63Å; L415-I480 HydrophobicContact CD2-CG1 3.67Å; F462-I480 HydrophobicContact CD1-CD1 4.41Å; F462-I480 HydrophobicContact CD2-CD1 4.41Å; F462-I480 HydrophobicContact CE1-CD1 3.97Å; F462-I480 HydrophobicContact CE1-CG1 4.46Å; F462-I480 HydrophobicContact CE1-CG2 4.34Å; F462-I480 HydrophobicContact CE2-CD1 3.98Å; F462-I480 HydrophobicContact CZ-CD1 3.74Å; F462-I480 HydrophobicContact CZ-CG2 4.31Å; I480-F482 HydrophobicContact CB-CE2 4.25Å; I480-F482 HydrophobicContact CG2-CD2 4.08Å; I480-F482 HydrophobicContact CG2-CE1 4.13Å; I480-F482 HydrophobicContact CG2-CE2 3.54Å; I480-F482 HydrophobicContact CG2-CZ 3.56Å; I480-T499 WeakPolarHBondContact O-CA 3.31Å; I480-I500 HydrophobicContact CB-CD1 4.03Å; I480-I500 HydrophobicContact CB-CG1 3.85Å; I480-I500 HydrophobicContact CD1-CD1 4.1Å; I480-I500 PolarHBondContact N-O 2.97Å; I480-I500 WeakPolarHBondContact O-CG1 3.35Å; I480-I500 PolarHBondContact O-N 2.95Å
481	Q	98.7	Very high	91.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.2	172.1	178	175.7	87.9	0	0	109.4	V69 N71 F87 K410 V483 V497 T498 T499	V69-Q481 PolarHBondContact O-NE2 3.23Å; N71-Q481 PolarHBondContact ND2-NE2 3.19Å; F87-Q481 HydrophobicContact CE1-CB 4.46Å; F87-Q481 HydrophobicContact CE2-CB 3.81Å; F87-Q481 HydrophobicContact CZ-CB 3.47Å; F87-Q481 VanDerWaalsContact CZ-CB 3.47Å; K410-Q481 HydrophobicContact CB-CB 4.43Å; K410-Q481 PolarHBondContact N-O 2.95Å; K410-Q481 PolarHBondContact O-N 3.43Å; Q481-V483 HydrophobicContact CG-CG2 3.92Å; Q481-V497 HydrophobicContact CG-CG1 3.94Å; Q481-T498 CarbonylContact C-O 3.4Å; Q481-T498 WeakPolarHBondContact CA-O 3.4Å; Q481-T499 HydrophobicContact CB-CG2 4.35Å; Q481-T499 PolarHBondContact NE2-OG1 2.72Å
482	F	98.8	Very high	91.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129	171.4	-55.1	-91.9	0	0	0	108.2	V17 F42 L407 V409 V460 F462 I480 V497 T498 I500	V17-F482 HydrophobicContact CG2-CE2 4.38Å; F42-F482 HydrophobicContact CB-CE1 4.43Å; F42-F482 HydrophobicContact CD1-CB 4.49Å; F42-F482 AromaticContact CD1-CD1 3.67Å; F42-F482 HydrophobicContact CD1-CD1 3.67Å; F42-F482 HydrophobicContact CD1-CE1 4.11Å; F42-F482 HydrophobicContact CD1-CG 4.14Å; F42-F482 HydrophobicContact CD2-CD1 4.48Å; F42-F482 HydrophobicContact CD2-CD2 4.43Å; F42-F482 HydrophobicContact CD2-CG 4.35Å; F42-F482 HydrophobicContact CE1-CB 3.71Å; F42-F482 AromaticContact CE1-CD1 3.72Å; F42-F482 HydrophobicContact CE1-CD1 3.72Å; F42-F482 AromaticContact CE1-CG 3.84Å; F42-F482 HydrophobicContact CE1-CG 3.84Å; F42-F482 HydrophobicContact CE2-CB 4.1Å; F42-F482 HydrophobicContact CE2-CD2 4.24Å; F42-F482 HydrophobicContact CE2-CG 4.04Å; F42-F482 HydrophobicContact CG-CD1 4.05Å; F42-F482 HydrophobicContact CG-CE1 4.16Å; F42-F482 HydrophobicContact CG-CG 4.37Å; F42-F482 HydrophobicContact CZ-CB 3.46Å; F42-F482 VanDerWaalsContact CZ-CB 3.46Å; F42-F482 HydrophobicContact CZ-CD1 4.14Å; F42-F482 HydrophobicContact CZ-CD2 4.4Å; F42-F482 AromaticContact CZ-CG 3.77Å; F42-F482 HydrophobicContact CZ-CG 3.77Å; L407-F482 HydrophobicContact CD1-CB 4.15Å; L407-F482 HydrophobicContact CD1-CD1 4.38Å; V409-F482 HydrophobicContact CG1-CD1 4.37Å; V409-F482 HydrophobicContact CG1-CE1 4.23Å; V409-F482 HydrophobicContact CG2-CD1 3.67Å; V409-F482 HydrophobicContact CG2-CE1 4Å; V460-F482 HydrophobicContact CG2-CE1 4.37Å; F462-F482 HydrophobicContact CZ-CE1 4.4Å; F462-F482 HydrophobicContact CZ-CZ 4.19Å; I480-F482 HydrophobicContact CB-CE2 4.25Å; I480-F482 HydrophobicContact CG2-CD2 4.08Å; I480-F482 HydrophobicContact CG2-CE1 4.13Å; I480-F482 HydrophobicContact CG2-CE2 3.54Å; I480-F482 HydrophobicContact CG2-CZ 3.56Å; F482-V497 WeakPolarHBondContact O-CA 3.46Å; F482-T498 HydrophobicContact CD2-CG2 4.22Å; F482-T498 PolarHBondContact N-O 3.47Å; F482-T498 PolarHBondContact O-N 3.12Å; F482-I500 HydrophobicContact CE2-CD1 3.95Å; F482-I500 HydrophobicContact CE2-CG1 4.23Å
483	V	98.6	Very high	92.3	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.036	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	109.3	177.6	-176.8	0	0	0	0	108	V69 L407 E408 Q481 Q485 I495 R496 V497	V69-V483 HydrophobicContact CG2-CG2 4.28Å; L407-V483 CarbonylContact C-O 3.5Å; L407-V483 WeakPolarHBondContact CA-O 3.49Å; E408-V483 HydrophobicContact CB-CB 4.43Å; E408-V483 PolarHBondContact N-O 2.7Å; E408-V483 PolarHBondContact O-N 2.75Å; Q481-V483 HydrophobicContact CG-CG2 3.92Å; V483-Q485 HydrophobicContact CG1-CG 4.43Å; V483-I495 HydrophobicContact CG1-CG2 3.74Å; V483-R496 CarbonylContact C-O 3.53Å; V483-R496 WeakPolarHBondContact CA-O 3.44Å; V483-V497 HydrophobicContact CG1-CG2 4.33Å; V483-V497 HydrophobicContact CG2-CG2 4.44Å
484	T	98.6	Very high	92.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	108.6	-179.9	-51.1	0	0	0	0	109.8	P44 N406 Y486 I495 R496	P44-T484 HydrophobicContact CB-CG2 4.1Å; N406-T484 CarbonylContact O-C 3.53Å; N406-T484 WeakPolarHBondContact O-CA 3.33Å; T484-Y486 HydrophobicContact CG2-CD1 4.43Å; T484-I495 CarbonylContact O-C 3.41Å; T484-I495 WeakPolarHBondContact O-CA 3.49Å; T484-R496 PolarHBondContact N-O 2.73Å; T484-R496 PolarHBondContact O-N 2.73Å
485	Q	97.4	Very high	94.2	Very high	87 Å²	87	32.7 Å²	32.7	41%	0.407	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.9	174.3	-49.4	-177.5	23.7	0	0	109.2	G405 N406 V483 R494 I495	G405-Q485 CarbonylContact C-O 3.57Å; G405-Q485 WeakPolarHBondContact CA-O 3.35Å; N406-Q485 PolarHBondContact N-O 2.72Å; N406-Q485 PolarHBondContact O-N 2.96Å; V483-Q485 HydrophobicContact CG1-CG 4.43Å; Q485-R494 CarbonylContact C-O 3.57Å; Q485-R494 WeakPolarHBondContact CA-O 3.24Å; Q485-I495 HydrophobicContact CB-CG1 4.38Å; Q485-I495 HydrophobicContact CG-CD1 4.31Å; Q485-I495 HydrophobicContact CG-CG1 4Å; Q485-I495 HydrophobicContact CG-CG2 4.25Å
486	Y	96.4	Very high	95.3	Very high	6 Å²	6	30.2 Å²	30.2	2%	0.024	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	166.7	-176	70.1	-84	0	0	0	112.5	L45 E118 A402 T484 H488 R494 R496	L45-Y486 HydrophobicContact CD1-CE2 4.27Å; L45-Y486 HydrophobicContact CD2-CD1 4.06Å; L45-Y486 HydrophobicContact CD2-CE1 3.5Å; L45-Y486 HydrophobicContact CD2-CE2 4.36Å; E118-Y486 VanDerWaalsContact CD-OH 3.23Å; E118-Y486 WeakPolarHBondContact OE1-CE1 3.22Å; E118-Y486 PolarHBondContact OE1-OH 3.16Å; E118-Y486 PolarHBondContact OE2-OH 3.31Å; A402-Y486 HydrophobicContact CB-CD2 3.36Å; A402-Y486 HydrophobicContact CB-CE2 3.69Å; A402-Y486 HydrophobicContact CB-CG 4.24Å; T484-Y486 HydrophobicContact CG2-CD1 4.43Å; Y486-H488 HydrophobicContact CE2-CB 3.9Å; Y486-R494 HydrophobicContact CD1-CB 4.23Å; Y486-R494 HydrophobicContact CE1-CB 3.67Å; Y486-R494 HydrophobicContact CE2-CB 4.24Å; Y486-R494 PolarHBondContact N-O 3.23Å; Y486-R494 PolarHBondContact O-N 3Å; Y486-R494 WeakPolarHBondContact OH-CD 3.48Å; Y486-R496 HydrophobicContact CE1-CB 4.37Å
487	Q	95.1	Very high	95.9	Very high	2 Å²	2	29 Å²	29	1%	0.009	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.9	168.6	-178.6	-177	10.3	0	0	108.3	A127 G284 A402 F403	A127-Q487 PolarHBondContact O-NE2 3.4Å; G284-Q487 VanDerWaalsContact N-OE1 3.1Å; A402-Q487 WeakPolarHBondContact CA-O 3.14Å; F403-Q487 HydrophobicContact CB-CB 4.41Å; F403-Q487 PolarHBondContact N-O 3.28Å; F403-Q487 WeakPolarHBondContact O-CB 3.22Å; F403-Q487 PolarHBondContact O-N 3.41Å
488	H	95.1	Very high	96.2	Very high	17 Å²	17	22.1 Å²	22.1	8%	0.079	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	160.1	174.5	-172.1	-96.5	0	0	0	110.6	D398 Y486 N490 T491 Q492 R494	D398-H488 IonicContact OD2-CE1 2.72Å; D398-H488 PolarHBondContact OD2-CE1 2.86Å; Y486-H488 HydrophobicContact CE2-CB 3.9Å; H488-N490 PolarHBondContact ND1-N 2.87Å; H488-N490 PolarHBondContact ND1-OD1 3.4Å; H488-N490 PolarHBondContact O-N 2.88Å; H488-T491 VanDerWaalsContact O-CA 3.25Å; H488-T491 WeakPolarHBondContact O-CA 3.4Å; H488-T491 PolarHBondContact O-N 3.42Å; H488-Q492 PolarHBondContact N-O 2.66Å; H488-R494 HydrophobicContact CB-CG 4.19Å; H488-R494 PolarHBondContact CD2-NH1 3.43Å; H488-R494 PolarHBondContact CE1-NH2 3.15Å; H488-R494 VanDerWaalsContact CE1-NH2 3.27Å; H488-R494 PolarHBondContact ND1-NH2 2.66Å; H488-R494 PolarHBondContact NE2-NH1 3.19Å; H488-R494 PolarHBondContact NE2-NH2 3.26Å
489	S	94.2	Very high	96.4	Very high	6 Å²	6	22.5 Å²	22.5	4%	0.042	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.3	-180	52.3	0	0	0	0	113.3	L129 F399 M401 T491	L129-S489 WeakPolarHBondContact CD1-O 3.33Å; F399-S489 PolarHBondContact N-OG 3.29Å; F399-S489 WeakPolarHBondContact O-CB 3.42Å; F399-S489 PolarHBondContact O-OG 3.06Å; M401-S489 WeakPolarHBondContact O-CB 3.49Å; M401-S489 PolarHBondContact O-N 3.14Å; S489-T491 PolarHBondContact O-N 2.89Å; S489-T491 VanDerWaalsContact O-N 3.1Å
490	N	92.3	Very high	96.4	Very high	43 Å²	43	22.4 Å²	22.4	23%	0.23	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	10.1	168.9	77.3	0.7	0	0	0	114.1	D398 H488 Q492 R494	D398-N490 WeakPolarHBondContact OD2-CB 3.22Å; D398-N490 PolarHBondContact OD2-ND2 2.62Å; H488-N490 PolarHBondContact ND1-N 2.87Å; H488-N490 PolarHBondContact ND1-OD1 3.4Å; H488-N490 PolarHBondContact O-N 2.88Å; N490-Q492 PolarHBondContact ND2-OE1 2.83Å; N490-Q492 VanDerWaalsContact ND2-OE1 3.08Å; N490-Q492 PolarHBondContact O-N 2.73Å; N490-Q492 VanDerWaalsContact OD1-CB 3.24Å; N490-Q492 WeakPolarHBondContact OD1-CB 3.13Å; N490-Q492 VanDerWaalsContact OD1-CG 3.28Å; N490-Q492 WeakPolarHBondContact OD1-CG 3.18Å; N490-Q492 PolarHBondContact OD1-N 3.07Å; N490-Q492 VanDerWaalsContact OD1-N 3.09Å; N490-Q492 PolarHBondContact OD1-OE1 2.89Å; N490-R494 PolarHBondContact ND2-NH2 3.33Å
491	T	91.1	Very high	96.4	Very high	43 Å²	43	23.5 Å²	23.5	26%	0.264	11%	0.114	S	C	.	.	S	Bend	trans	73.7	-5.6	177.4	78.6	0	0	0	0	116	S126 L129 H488 S489	S126-T491 WeakPolarHBondContact OG-CB 3.25Å; S126-T491 PolarHBondContact OG-O 3.19Å; S126-T491 PolarHBondContact OG-OG1 3.35Å; L129-T491 HydrophobicContact CG-CG2 4.42Å; H488-T491 VanDerWaalsContact O-CA 3.25Å; H488-T491 WeakPolarHBondContact O-CA 3.4Å; H488-T491 PolarHBondContact O-N 3.42Å; S489-T491 PolarHBondContact O-N 2.89Å; S489-T491 VanDerWaalsContact O-N 3.1Å
492	Q	92.3	Very high	96.3	Very high	73 Å²	73	24 Å²	24	34%	0.341	12%	0.116	S	C	.	.			trans	-63.8	145.6	175.1	-66.9	173.1	-20.5	0	0	111.8	H488 N490	H488-Q492 PolarHBondContact N-O 2.66Å; N490-Q492 PolarHBondContact ND2-OE1 2.83Å; N490-Q492 VanDerWaalsContact ND2-OE1 3.08Å; N490-Q492 PolarHBondContact O-N 2.73Å; N490-Q492 VanDerWaalsContact OD1-CB 3.24Å; N490-Q492 WeakPolarHBondContact OD1-CB 3.13Å; N490-Q492 VanDerWaalsContact OD1-CG 3.28Å; N490-Q492 WeakPolarHBondContact OD1-CG 3.18Å; N490-Q492 PolarHBondContact OD1-N 3.07Å; N490-Q492 VanDerWaalsContact OD1-N 3.09Å; N490-Q492 PolarHBondContact OD1-OE1 2.89Å
493	R	93.3	Very high	96.1	Very high	102 Å²	102	27.6 Å²	27.6	39%	0.385	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.9	166.7	-70.6	-67	-174.2	174.5	-1.6	109.1	V121	V121-R493 HydrophobicContact CB-CB 4.37Å; V121-R493 PolarHBondContact N-O 2.76Å
494	R	95.1	Very high	95.9	Very high	23 Å²	23	28 Å²	28	9%	0.087	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.8	179.2	-62.1	-165.3	-174.4	172.4	9.7	111.1	E118 Y119 I120 Q485 Y486 H488 N490	E118-R494 HydrophobicContact CG-CB 4.25Å; E118-R494 VanDerWaalsContact OE2-CD 3.23Å; E118-R494 WeakPolarHBondContact OE2-CD 3.4Å; E118-R494 IonicContact OE2-CZ 2.94Å; E118-R494 IonicContact OE2-NE 3.83Å; E118-R494 IonicContact OE2-NH1 3.32Å; E118-R494 PolarHBondContact OE2-NH1 3.4Å; Y119-R494 CarbonylContact O-C 3.22Å; Y119-R494 WeakPolarHBondContact O-CA 3.38Å; I120-R494 HydrophobicContact CG1-CG 4.25Å; Q485-R494 CarbonylContact C-O 3.57Å; Q485-R494 WeakPolarHBondContact CA-O 3.24Å; Y486-R494 HydrophobicContact CD1-CB 4.23Å; Y486-R494 HydrophobicContact CE1-CB 3.67Å; Y486-R494 HydrophobicContact CE2-CB 4.24Å; Y486-R494 PolarHBondContact N-O 3.23Å; Y486-R494 PolarHBondContact O-N 3Å; Y486-R494 WeakPolarHBondContact OH-CD 3.48Å; H488-R494 HydrophobicContact CB-CG 4.19Å; H488-R494 PolarHBondContact CD2-NH1 3.43Å; H488-R494 PolarHBondContact CE1-NH2 3.15Å; H488-R494 VanDerWaalsContact CE1-NH2 3.27Å; H488-R494 PolarHBondContact ND1-NH2 2.66Å; H488-R494 PolarHBondContact NE2-NH1 3.19Å; H488-R494 PolarHBondContact NE2-NH2 3.26Å; N490-R494 PolarHBondContact ND2-NH2 3.33Å
495	I	97.6	Very high	95.5	Very high	20 Å²	20	27.9 Å²	27.9	10%	0.103	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.3	173	-56.6	-178.2	0	0	0	107.4	P58 E118 Y119 V121 V483 T484 Q485 V497	P58-I495 HydrophobicContact CG-CD1 3.99Å; E118-I495 CarbonylContact C-O 3.55Å; E118-I495 WeakPolarHBondContact CA-O 3.37Å; Y119-I495 HydrophobicContact CD2-CB 4.49Å; Y119-I495 WeakPolarHBondContact CD2-O 3.37Å; Y119-I495 PolarHBondContact N-O 3.24Å; Y119-I495 PolarHBondContact O-N 2.65Å; V121-I495 HydrophobicContact CG2-CD1 3.57Å; V121-I495 HydrophobicContact CG2-CG1 3.7Å; V483-I495 HydrophobicContact CG1-CG2 3.74Å; T484-I495 CarbonylContact O-C 3.41Å; T484-I495 WeakPolarHBondContact O-CA 3.49Å; Q485-I495 HydrophobicContact CB-CG1 4.38Å; Q485-I495 HydrophobicContact CG-CD1 4.31Å; Q485-I495 HydrophobicContact CG-CG1 4Å; Q485-I495 HydrophobicContact CG-CG2 4.25Å; I495-V497 HydrophobicContact CG2-CG2 3.95Å
496	R	98.1	Very high	94.9	Very high	25 Å²	25	26.4 Å²	26.4	9%	0.094	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.2	175.3	-168.6	152.6	177.3	179.1	-0.9	110	P44 K46 I117 E118 V483 T484 Y486	P44-R496 WeakPolarHBondContact O-CD 3.33Å; P44-R496 PolarHBondContact O-NE 3.48Å; K46-R496 VanDerWaalsContact O-CZ 3.25Å; K46-R496 PolarHBondContact O-NH1 2.86Å; K46-R496 PolarHBondContact O-NH2 2.92Å; I117-R496 WeakPolarHBondContact O-CA 3.49Å; E118-R496 HydrophobicContact CB-CG 4.41Å; E118-R496 HydrophobicContact CG-CB 4.45Å; E118-R496 WeakPolarHBondContact OE1-CD 3.47Å; V483-R496 CarbonylContact C-O 3.53Å; V483-R496 WeakPolarHBondContact CA-O 3.44Å; T484-R496 PolarHBondContact N-O 2.73Å; T484-R496 PolarHBondContact O-N 2.73Å; Y486-R496 HydrophobicContact CE1-CB 4.37Å
497	V	98.6	Very high	93.9	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.2	-176.2	-178.9	0	0	0	0	108.7	V69 T116 I117 Y119 Q481 F482 V483 I495	V69-V497 HydrophobicContact CB-CG1 4.14Å; V69-V497 HydrophobicContact CB-CG2 4.33Å; V69-V497 HydrophobicContact CG1-CG1 4.42Å; V69-V497 HydrophobicContact CG1-CG2 4.24Å; V69-V497 HydrophobicContact CG2-CG2 4.07Å; T116-V497 CarbonylContact C-O 3.55Å; T116-V497 WeakPolarHBondContact CA-O 3.41Å; I117-V497 HydrophobicContact CG2-CB 4.24Å; I117-V497 PolarHBondContact N-O 3.49Å; I117-V497 PolarHBondContact O-N 2.81Å; Y119-V497 HydrophobicContact CD2-CG2 4.13Å; Y119-V497 HydrophobicContact CE2-CB 4.16Å; Y119-V497 HydrophobicContact CE2-CG2 3.7Å; Q481-V497 HydrophobicContact CG-CG1 3.94Å; F482-V497 WeakPolarHBondContact O-CA 3.46Å; V483-V497 HydrophobicContact CG1-CG2 4.33Å; V483-V497 HydrophobicContact CG2-CG2 4.44Å; I495-V497 HydrophobicContact CG2-CG2 3.95Å
498	T	98.7	Very high	93.1	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.9	173.7	-67	0	0	0	0	108.4	D15 V17 F42 S115 T116 Q481 F482 I500	D15-T498 HydrophobicContact CB-CG2 3.87Å; V17-T498 HydrophobicContact CG2-CG2 4.31Å; F42-T498 HydrophobicContact CE2-CG2 4.33Å; S115-T498 WeakPolarHBondContact O-CA 3.44Å; T116-T498 VanDerWaalsContact CG2-OG1 3.28Å; T116-T498 WeakPolarHBondContact CG2-OG1 3.43Å; T116-T498 WeakPolarHBondContact OG1-CB 3.36Å; T116-T498 VanDerWaalsContact OG1-CG2 3.24Å; T116-T498 WeakPolarHBondContact OG1-CG2 3.4Å; T116-T498 PolarHBondContact OG1-OG1 2.86Å; Q481-T498 CarbonylContact C-O 3.4Å; Q481-T498 WeakPolarHBondContact CA-O 3.4Å; F482-T498 HydrophobicContact CD2-CG2 4.22Å; F482-T498 PolarHBondContact N-O 3.47Å; F482-T498 PolarHBondContact O-N 3.12Å; T498-I500 HydrophobicContact CG2-CG2 4.12Å
499	T	98.6	Very high	92.5	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.043	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.8	177.6	-50.9	0	0	0	0	110	N71 L73 S115 I480 Q481	N71-T499 HydrophobicContact CB-CG2 3.84Å; N71-T499 WeakPolarHBondContact CB-OG1 3.45Å; N71-T499 VanDerWaalsContact CG-CG2 3.47Å; N71-T499 WeakPolarHBondContact OD1-CG2 3.34Å; L73-T499 HydrophobicContact CD1-CG2 3.78Å; L73-T499 HydrophobicContact CG-CG2 4.31Å; S115-T499 PolarHBondContact O-N 2.61Å; I480-T499 WeakPolarHBondContact O-CA 3.31Å; Q481-T499 HydrophobicContact CB-CG2 4.35Å; Q481-T499 PolarHBondContact NE2-OG1 2.72Å
500	I	98	Very high	92	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	159.7	-178.4	56.4	162.3	0	0	0	110.7	D15 V17 F19 A479 I480 F482 T498	D15-I500 HydrophobicContact CB-CG2 4.27Å; V17-I500 HydrophobicContact CG1-CD1 4.44Å; F19-I500 HydrophobicContact CD2-CD1 4.46Å; F19-I500 HydrophobicContact CE2-CD1 3.17Å; F19-I500 HydrophobicContact CZ-CD1 3.24Å; A479-I500 VanDerWaalsContact CA-O 3.3Å; A479-I500 WeakPolarHBondContact CA-O 3.49Å; I480-I500 HydrophobicContact CB-CD1 4.03Å; I480-I500 HydrophobicContact CB-CG1 3.85Å; I480-I500 HydrophobicContact CD1-CD1 4.1Å; I480-I500 PolarHBondContact N-O 2.97Å; I480-I500 WeakPolarHBondContact O-CG1 3.35Å; I480-I500 PolarHBondContact O-N 2.95Å; F482-I500 HydrophobicContact CE2-CD1 3.95Å; F482-I500 HydrophobicContact CE2-CG1 4.23Å; T498-I500 HydrophobicContact CG2-CG2 4.12Å
501	A	97.1	Very high	91.8	Very high	23 Å²	23	40.3 Å²	40.3	19%	0.19	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	148.3	167.8	0	0	0	0	0	111.4	L73 R477 G478	L73-A501 HydrophobicContact CD1-CB 3.77Å; L73-A501 HydrophobicContact CD2-CB 4.2Å; R477-A501 HydrophobicContact CB-CB 4.34Å; G478-A501 CarbonylContact O-C 3.49Å; G478-A501 WeakPolarHBondContact O-CA 3.43Å
502	R	96.7	Very high	91.6	Very high	9 Å²	9	45.5 Å²	45.5	3%	0.034	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.3	169	-62.9	-61.4	-177.7	-100.7	6.6	109.3	N11 N22 W24 R477 G478	N11-R502 PolarHBondContact OD1-NH1 3.41Å; N11-R502 VanDerWaalsContact OD1-NH1 3.14Å; N11-R502 PolarHBondContact OD1-NH2 2.85Å; N22-R502 VanDerWaalsContact O-CD 3.32Å; N22-R502 WeakPolarHBondContact O-CD 3.42Å; N22-R502 PolarHBondContact OD1-NE 3.11Å; N22-R502 PolarHBondContact OD1-NH2 3.44Å; W24-R502 HydrophobicContact CD2-CB 3.73Å; W24-R502 HydrophobicContact CD2-CG 4.37Å; W24-R502 VanDerWaalsContact CE2-CB 3.49Å; W24-R502 HydrophobicContact CE3-CB 4.03Å; W24-R502 HydrophobicContact CG-CB 4.33Å; W24-R502 HydrophobicContact CH2-CB 3.88Å; W24-R502 HydrophobicContact CH2-CG 3.96Å; W24-R502 HydrophobicContact CZ2-CB 3.57Å; W24-R502 HydrophobicContact CZ2-CG 3.36Å; W24-R502 HydrophobicContact CZ3-CB 4.11Å; R477-R502 CarbonylContact C-O 3.54Å; R477-R502 VanDerWaalsContact CA-O 3.25Å; R477-R502 WeakPolarHBondContact CA-O 3.38Å; G478-R502 PolarHBondContact N-O 3.32Å; G478-R502 PolarHBondContact O-N 3.02Å
503	N	95.5	Very high	91.5	Very high	77 Å²	77	46.8 Å²	46.8	41%	0.412	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	148.2	179.7	-64.6	-34.5	0	0	0	109.9	L23 W24 G476 R477	L23-N503 HydrophobicContact CD1-CB 3.51Å; L23-N503 WeakPolarHBondContact CD1-O 3.45Å; W24-N503 PolarHBondContact N-O 3.41Å; G476-N503 WeakPolarHBondContact O-CA 3.43Å; R477-N503 WeakPolarHBondContact CG-OD1 3.23Å; R477-N503 PolarHBondContact NE-OD1 3.03Å
504	W	94	Very high	91.5	Very high	13 Å²	13	41.9 Å²	41.9	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.9	165.2	-64.8	114.5	0	0	0	109.5	W24 P25 E414 L415 V464 V472 P473 G476 R477	W24-W504 HydrophobicContact CB-CE3 3.56Å; W24-W504 HydrophobicContact CB-CH2 4.45Å; W24-W504 HydrophobicContact CB-CZ3 3.52Å; W24-W504 HydrophobicContact CE3-CE3 4.48Å; W24-W504 AromaticContact CE3-CH2 3.86Å; W24-W504 HydrophobicContact CE3-CH2 3.86Å; W24-W504 HydrophobicContact CE3-CZ2 4.12Å; W24-W504 HydrophobicContact CE3-CZ3 4.06Å; W24-W504 HydrophobicContact CG-CZ3 4.41Å; W24-W504 CarbonylContact O-C 3.59Å; W24-W504 WeakPolarHBondContact O-CA 3.45Å; P25-W504 WeakPolarHBondContact O-CZ3 3.29Å; E414-W504 HydrophobicContact CB-CH2 4.27Å; E414-W504 HydrophobicContact CB-CZ2 3.94Å; L415-W504 HydrophobicContact CB-CH2 4.46Å; L415-W504 HydrophobicContact CD1-CH2 4.35Å; V464-W504 HydrophobicContact CG1-CH2 4.37Å; V464-W504 HydrophobicContact CG1-CZ3 4Å; V464-W504 HydrophobicContact CG2-CH2 4.28Å; V464-W504 HydrophobicContact CG2-CZ3 3.85Å; V472-W504 HydrophobicContact CG1-CB 3.78Å; V472-W504 HydrophobicContact CG1-CG 4.5Å; P473-W504 HydrophobicContact CG-CD2 4.39Å; P473-W504 HydrophobicContact CG-CG 4.23Å; G476-W504 PolarHBondContact O-N 2.87Å; R477-W504 VanDerWaalsContact C-CD1 3.44Å; R477-W504 PolarHBondContact O-NE1 3.29Å
505	A	90.9	Very high	91.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.3	175.5	0	0	0	0	0	111	L23 W24 P25 S26 A507 Q510 I514	L23-A505 HydrophobicContact CD1-CB 4.03Å; L23-A505 HydrophobicContact CD2-CB 3.55Å; L23-A505 HydrophobicContact CG-CB 3.55Å; W24-A505 PolarHBondContact O-N 3.49Å; P25-A505 CarbonylContact C-O 3.58Å; S26-A505 WeakPolarHBondContact CB-O 3.43Å; S26-A505 PolarHBondContact N-O 3.26Å; S26-A505 PolarHBondContact OG-O 3Å; A505-A507 PolarHBondContact O-N 2.83Å; A505-Q510 HydrophobicContact CB-CB 4.19Å; A505-I514 HydrophobicContact CB-CD1 4.05Å; A505-I514 HydrophobicContact CB-CG1 3.89Å
506	D	84.3	Confident	91.2	Very high	55 Å²	55	43.2 Å²	43.2	29%	0.294	23%	0.226	S	C	.	.			trans	-79.1	108.8	167.7	172.7	24.1	0	0	0	109	Q508 S509 Q510	D506-Q508 PolarHBondContact O-N 2.91Å; D506-Q508 VanDerWaalsContact O-N 3.15Å; D506-Q508 PolarHBondContact OD1-N 3.06Å; D506-S509 PolarHBondContact O-N 3.45Å; D506-S509 VanDerWaalsContact O-N 3.16Å; D506-S509 PolarHBondContact O-OG 3.31Å; D506-S509 PolarHBondContact OD2-OG 2.81Å; D506-S509 VanDerWaalsContact OD2-OG 3.07Å; D506-Q510 VanDerWaalsContact O-CB 3.31Å; D506-Q510 WeakPolarHBondContact O-CB 3.1Å; D506-Q510 PolarHBondContact O-N 3.2Å
507	A	76	Confident	91	Very high	9 Å²	9	42 Å²	42	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-64.5	-19.9	-175.1	0	0	0	0	0	113.2	E30 A505 S509 I514	E30-A507 HydrophobicContact CB-CB 3.76Å; E30-A507 HydrophobicContact CG-CB 3.79Å; A505-A507 PolarHBondContact O-N 2.83Å; A507-S509 VanDerWaalsContact C-N 3.31Å; A507-S509 PolarHBondContact O-N 3.13Å; A507-I514 HydrophobicContact CB-CD1 3.81Å
508	Q	76.9	Confident	91	Very high	144 Å²	144	42.3 Å²	42.3	67%	0.673	22%	0.223	S	C	*	.	H	α-helix	trans	-66.9	-35.1	176.3	-65.6	-174.1	-3.1	0	0	112.1	H468 D506	H468-Q508 PolarHBondContact NE2-NE2 2.85Å; D506-Q508 PolarHBondContact O-N 2.91Å; D506-Q508 VanDerWaalsContact O-N 3.15Å; D506-Q508 PolarHBondContact OD1-N 3.06Å
509	S	82.3	Confident	91	Very high	88 Å²	88	42.5 Å²	42.5	62%	0.615	22%	0.224	S	C	*	.	H	α-helix	trans	-107.7	-19.7	-176.2	52.1	0	0	0	0	113.4	D506 A507	D506-S509 PolarHBondContact O-N 3.45Å; D506-S509 VanDerWaalsContact O-N 3.16Å; D506-S509 PolarHBondContact O-OG 3.31Å; D506-S509 PolarHBondContact OD2-OG 2.81Å; D506-S509 VanDerWaalsContact OD2-OG 3.07Å; A507-S509 VanDerWaalsContact C-N 3.31Å; A507-S509 PolarHBondContact O-N 3.13Å
510	Q	84.6	Confident	90.9	Very high	72 Å²	72	43.4 Å²	43.4	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-127	22.8	-167.5	-57.1	-174.6	-58.5	0	0	114.3	A505 D506 Q512 H513 I514	A505-Q510 HydrophobicContact CB-CB 4.19Å; D506-Q510 VanDerWaalsContact O-CB 3.31Å; D506-Q510 WeakPolarHBondContact O-CB 3.1Å; D506-Q510 PolarHBondContact O-N 3.2Å; Q510-Q512 PolarHBondContact O-N 2.87Å; Q510-H513 HydrophobicContact CB-CB 4.32Å; Q510-H513 WeakPolarHBondContact O-CA 3.3Å; Q510-H513 WeakPolarHBondContact O-CB 3.48Å; Q510-H513 PolarHBondContact O-N 3.5Å; Q510-I514 PolarHBondContact O-N 2.88Å; Q510-I514 VanDerWaalsContact O-N 3.08Å
511	I	87.3	Confident	90.9	Very high	53 Å²	53	46.3 Å²	46.3	27%	0.272	24%	0.24	S	C	.	.	H	α-helix	trans	-55.9	-37	-179.4	-166.3	64	0	0	0	113.2	H513 I514 E515 F558	I511-H513 VanDerWaalsContact C-N 3.3Å; I511-H513 PolarHBondContact O-N 2.91Å; I511-I514 WeakPolarHBondContact O-CB 3.3Å; I511-I514 PolarHBondContact O-N 3.35Å; I511-I514 VanDerWaalsContact O-N 3.16Å; I511-E515 PolarHBondContact O-N 2.91Å; I511-F558 HydrophobicContact CD1-CE1 3.91Å; I511-F558 HydrophobicContact CD1-CZ 4.39Å; I511-F558 HydrophobicContact CG1-CE1 4.19Å
512	Q	88.4	Confident	91	Very high	153 Å²	153	45.2 Å²	45.2	72%	0.715	23%	0.231	S	C	*	.	H	α-helix	trans	-64.8	-33.8	175.9	-66.3	177.5	-9.2	0	0	112.2	Q510 S516	Q510-Q512 PolarHBondContact O-N 2.87Å; Q512-S516 PolarHBondContact O-N 3.12Å; Q512-S516 PolarHBondContact O-OG 3.03Å
513	H	90.3	Very high	91.1	Very high	99 Å²	99	44.8 Å²	44.8	46%	0.458	23%	0.23	S	C	.	.	H	α-helix	trans	-72.7	-32.8	174.7	-64.6	-61.9	0	0	0	111.9	Y4 L23 Q510 I511 S516 S517	Y4-H513 PolarHBondContact OH-O 3.37Å; L23-H513 VanDerWaalsContact CD2-C 3.49Å; L23-H513 HydrophobicContact CD2-CB 3.57Å; L23-H513 WeakPolarHBondContact CD2-O 3.46Å; Q510-H513 HydrophobicContact CB-CB 4.32Å; Q510-H513 WeakPolarHBondContact O-CA 3.3Å; Q510-H513 WeakPolarHBondContact O-CB 3.48Å; Q510-H513 PolarHBondContact O-N 3.5Å; I511-H513 VanDerWaalsContact C-N 3.3Å; I511-H513 PolarHBondContact O-N 2.91Å; H513-S516 WeakPolarHBondContact CA-OG 3.32Å; H513-S516 PolarHBondContact O-OG 2.89Å; H513-S517 PolarHBondContact O-N 2.95Å
514	I	91.9	Very high	91.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-46.3	173.5	-62.6	172.5	0	0	0	109.6	W21 L23 P25 L34 A505 A507 Q510 I511 S516 S517 F518	W21-I514 HydrophobicContact CE3-CG2 3.74Å; W21-I514 HydrophobicContact CZ3-CG2 3.9Å; L23-I514 HydrophobicContact CD2-CG1 3.97Å; L23-I514 HydrophobicContact CG-CG1 4.3Å; P25-I514 HydrophobicContact CB-CD1 4.49Å; L34-I514 HydrophobicContact CD1-CG2 4.47Å; L34-I514 HydrophobicContact CD2-CG2 3.94Å; A505-I514 HydrophobicContact CB-CD1 4.05Å; A505-I514 HydrophobicContact CB-CG1 3.89Å; A507-I514 HydrophobicContact CB-CD1 3.81Å; Q510-I514 PolarHBondContact O-N 2.88Å; Q510-I514 VanDerWaalsContact O-N 3.08Å; I511-I514 WeakPolarHBondContact O-CB 3.3Å; I511-I514 PolarHBondContact O-N 3.35Å; I511-I514 VanDerWaalsContact O-N 3.16Å; I514-S516 PolarHBondContact O-N 3.25Å; I514-S517 WeakPolarHBondContact O-CB 3.35Å; I514-S517 PolarHBondContact O-N 2.83Å; I514-S517 PolarHBondContact O-OG 3.25Å; I514-F518 PolarHBondContact O-N 3.12Å
515	E	93.3	Very high	91.4	Very high	29 Å²	29	40.5 Å²	40.5	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-45	176.8	-171.6	-167.8	149.6	0	0	112.6	I511 S517 F518 F558 S572 S574 L575	I511-E515 PolarHBondContact O-N 2.91Å; E515-S517 PolarHBondContact O-N 2.98Å; E515-F518 VanDerWaalsContact O-CB 3.24Å; E515-F518 WeakPolarHBondContact O-CB 3.17Å; E515-F518 PolarHBondContact O-N 3.23Å; E515-F558 HydrophobicContact CB-CD1 3.94Å; E515-F558 HydrophobicContact CB-CE1 4.17Å; E515-F558 HydrophobicContact CG-CB 4.5Å; E515-F558 HydrophobicContact CG-CD1 3.82Å; E515-F558 HydrophobicContact CG-CE1 4.49Å; E515-F558 HydrophobicContact CG-CG 4.46Å; E515-S572 WeakPolarHBondContact OE1-CB 3.41Å; E515-S572 PolarHBondContact OE1-OG 3.42Å; E515-S574 PolarHBondContact O-OG 2.85Å; E515-L575 HydrophobicContact CG-CD1 3.56Å
516	S	93.1	Very high	91.8	Very high	41 Å²	41	40.5 Å²	40.5	29%	0.287	21%	0.208	S	C	.	.	H	α-helix	trans	-68.4	-17.8	177.1	53.3	0	0	0	0	113.7	Y4 Q512 H513 I514	Y4-S516 WeakPolarHBondContact CD2-O 3.19Å; Y4-S516 WeakPolarHBondContact CE2-O 3.32Å; Y4-S516 WeakPolarHBondContact CE2-OG 3.5Å; Q512-S516 PolarHBondContact O-N 3.12Å; Q512-S516 PolarHBondContact O-OG 3.03Å; H513-S516 WeakPolarHBondContact CA-OG 3.32Å; H513-S516 PolarHBondContact O-OG 2.89Å; I514-S516 PolarHBondContact O-N 3.25Å
517	S	95.4	Very high	92.5	Very high	1 Å²	1	38 Å²	38	1%	0.007	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.1	175.7	83.9	0	0	0	0	114.2	N22 L23 H513 I514 E515	N22-S517 PolarHBondContact N-O 2.9Å; N22-S517 PolarHBondContact ND2-O 3.41Å; L23-S517 VanDerWaalsContact CB-OG 3.27Å; L23-S517 WeakPolarHBondContact CB-OG 3.25Å; L23-S517 PolarHBondContact N-OG 2.81Å; H513-S517 PolarHBondContact O-N 2.95Å; I514-S517 WeakPolarHBondContact O-CB 3.35Å; I514-S517 PolarHBondContact O-N 2.83Å; I514-S517 PolarHBondContact O-OG 3.25Å; E515-S517 PolarHBondContact O-N 2.98Å
518	F	97.5	Very high	93.5	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.035	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-69.7	128.8	-179	-173.8	-115.9	0	0	0	110.8	S20 W21 V36 I514 E515 Q520 A523 L554 S574 L575 Y578	S20-F518 VanDerWaalsContact O-CD2 3.26Å; S20-F518 WeakPolarHBondContact O-CD2 3.27Å; W21-F518 AromaticContact CD2-CD2 3.72Å; W21-F518 HydrophobicContact CD2-CD2 3.72Å; W21-F518 HydrophobicContact CD2-CE2 4.42Å; W21-F518 AromaticContact CE2-CD2 3.63Å; W21-F518 AromaticContact CE2-CE2 3.89Å; W21-F518 HydrophobicContact CE3-CB 3.91Å; W21-F518 AromaticContact CE3-CD2 3.64Å; W21-F518 HydrophobicContact CE3-CD2 3.64Å; W21-F518 HydrophobicContact CE3-CG 4.23Å; W21-F518 HydrophobicContact CH2-CB 4.28Å; W21-F518 AromaticContact CH2-CD2 3.38Å; W21-F518 HydrophobicContact CH2-CD2 3.38Å; W21-F518 AromaticContact CH2-CE2 3.89Å; W21-F518 HydrophobicContact CH2-CE2 3.89Å; W21-F518 HydrophobicContact CH2-CG 4.01Å; W21-F518 AromaticContact CZ2-CD2 3.49Å; W21-F518 HydrophobicContact CZ2-CD2 3.49Å; W21-F518 VanDerWaalsContact CZ2-CD2 3.49Å; W21-F518 AromaticContact CZ2-CE2 3.62Å; W21-F518 HydrophobicContact CZ2-CE2 3.62Å; W21-F518 HydrophobicContact CZ3-CB 3.65Å; W21-F518 AromaticContact CZ3-CD2 3.48Å; W21-F518 HydrophobicContact CZ3-CD2 3.48Å; W21-F518 VanDerWaalsContact CZ3-CD2 3.48Å; W21-F518 HydrophobicContact CZ3-CE2 4.41Å; W21-F518 AromaticContact CZ3-CG 3.87Å; W21-F518 HydrophobicContact CZ3-CG 3.87Å; V36-F518 HydrophobicContact CB-CE2 4.3Å; V36-F518 HydrophobicContact CG1-CE2 4.4Å; V36-F518 HydrophobicContact CG2-CE2 4.27Å; V36-F518 HydrophobicContact CG2-CZ 4.38Å; I514-F518 PolarHBondContact O-N 3.12Å; E515-F518 VanDerWaalsContact O-CB 3.24Å; E515-F518 WeakPolarHBondContact O-CB 3.17Å; E515-F518 PolarHBondContact O-N 3.23Å; F518-Q520 HydrophobicContact CD1-CB 4.1Å; F518-Q520 HydrophobicContact CE1-CB 3.78Å; F518-A523 HydrophobicContact CD2-CB 4.47Å; F518-A523 HydrophobicContact CE1-CB 4.25Å; F518-A523 HydrophobicContact CE2-CB 3.46Å; F518-A523 VanDerWaalsContact CE2-CB 3.46Å; F518-A523 HydrophobicContact CZ-CB 3.33Å; F518-L554 HydrophobicContact CZ-CD2 4.25Å; F518-S574 WeakPolarHBondContact CD1-O 3.32Å; F518-L575 HydrophobicContact CD1-CD2 3.71Å; F518-L575 HydrophobicContact CD1-CG 3.8Å; F518-L575 HydrophobicContact CE1-CD2 3.61Å; F518-L575 HydrophobicContact CE1-CG 4.14Å; F518-L575 HydrophobicContact CZ-CD2 4.38Å; F518-Y578 HydrophobicContact CE1-CD2 4.06Å; F518-Y578 HydrophobicContact CE1-CG 4.41Å; F518-Y578 AromaticContact CZ-CD2 3.95Å; F518-Y578 HydrophobicContact CZ-CD2 3.95Å; F518-Y578 HydrophobicContact CZ-CE2 4.1Å
519	D	98.1	Very high	94.6	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	16%	0.159	C	C	.	.			trans	-103	93.5	173.7	-174	-24	0	0	0	108.1	I8 R18 F19 S20 E521 A522 A523	I8-D519 HydrophobicContact CD1-CB 4.12Å; I8-D519 WeakPolarHBondContact CG2-OD2 3.47Å; R18-D519 IonicContact CZ-OD1 3.79Å; R18-D519 IonicContact CZ-OD2 3.65Å; R18-D519 VanDerWaalsContact CZ-OD2 3.31Å; R18-D519 IonicContact NE-OD1 3.55Å; R18-D519 IonicContact NE-OD2 3.47Å; R18-D519 PolarHBondContact NE-OD2 3.01Å; R18-D519 IonicContact NH2-OD1 2.8Å; R18-D519 PolarHBondContact NH2-OD1 3.44Å; R18-D519 IonicContact NH2-OD2 3.31Å; R18-D519 PolarHBondContact NH2-OD2 3.5Å; R18-D519 VanDerWaalsContact NH2-OD2 3.07Å; F19-D519 WeakPolarHBondContact O-CB 3.06Å; S20-D519 PolarHBondContact O-N 3.22Å; D519-E521 PolarHBondContact O-N 3.33Å; D519-E521 WeakPolarHBondContact OD1-CB 3.35Å; D519-E521 PolarHBondContact OD1-N 2.97Å; D519-A522 HydrophobicContact CB-CB 4.01Å; D519-A522 VanDerWaalsContact CG-CB 3.47Å; D519-A522 PolarHBondContact O-N 3.34Å; D519-A522 PolarHBondContact OD1-N 3.03Å; D519-A523 WeakPolarHBondContact O-CB 3.48Å; D519-A523 PolarHBondContact O-N 2.88Å
520	Q	97.4	Very high	95.3	Very high	25 Å²	25	27.2 Å²	27.2	12%	0.117	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-31.8	-177	54.4	-172.6	-21.4	0	0	113.7	F518 A524 E573 S574 Y578	F518-Q520 HydrophobicContact CD1-CB 4.1Å; F518-Q520 HydrophobicContact CE1-CB 3.78Å; Q520-A524 VanDerWaalsContact O-CB 3.23Å; Q520-A524 WeakPolarHBondContact O-CB 3.27Å; Q520-A524 PolarHBondContact O-N 3.39Å; Q520-E573 PolarHBondContact NE2-O 2.71Å; Q520-E573 VanDerWaalsContact NE2-O 3.11Å; Q520-S574 WeakPolarHBondContact CB-O 3.2Å; Q520-S574 WeakPolarHBondContact CG-O 3.5Å; Q520-S574 PolarHBondContact OE1-O 3.05Å; Q520-Y578 HydrophobicContact CB-CD2 4.41Å
521	E	98.4	Very high	95.9	Very high	66 Å²	66	23.8 Å²	23.8	31%	0.308	12%	0.118	S	C	.	.	H	α-helix	trans	-68.6	-53.6	177.5	-71.1	179.1	161.9	0	0	110.9	R18 D519 A523 A524 V525 F581 L613 L617	R18-E521 IonicContact CZ-OE2 3.31Å; R18-E521 IonicContact NH1-OE2 2.8Å; R18-E521 IonicContact NH2-OE2 3.07Å; R18-E521 PolarHBondContact NH2-OE2 2.91Å; D519-E521 PolarHBondContact O-N 3.33Å; D519-E521 WeakPolarHBondContact OD1-CB 3.35Å; D519-E521 PolarHBondContact OD1-N 2.97Å; E521-A523 VanDerWaalsContact C-N 3.33Å; E521-A523 PolarHBondContact O-N 3.4Å; E521-A524 PolarHBondContact O-N 3.02Å; E521-V525 PolarHBondContact O-N 3.18Å; E521-V525 VanDerWaalsContact O-N 3.12Å; E521-F581 HydrophobicContact CG-CE2 4.13Å; E521-F581 HydrophobicContact CG-CZ 4.18Å; E521-L613 HydrophobicContact CB-CD1 4.01Å; E521-L613 HydrophobicContact CB-CD2 4.14Å; E521-L617 HydrophobicContact CB-CD1 3.88Å; E521-L617 HydrophobicContact CB-CD2 4.32Å; E521-L617 HydrophobicContact CG-CD1 3.75Å
522	A	98.5	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-42.4	178.9	0	0	0	0	0	111.2	R18 D519 A524 V525 L526 L613	R18-A522 HydrophobicContact CB-CB 4.01Å; D519-A522 HydrophobicContact CB-CB 4.01Å; D519-A522 VanDerWaalsContact CG-CB 3.47Å; D519-A522 PolarHBondContact O-N 3.34Å; D519-A522 PolarHBondContact OD1-N 3.03Å; A522-A524 PolarHBondContact O-N 3.3Å; A522-V525 PolarHBondContact O-N 3.02Å; A522-L526 HydrophobicContact CB-CD1 4.46Å; A522-L526 VanDerWaalsContact O-CB 3.32Å; A522-L526 WeakPolarHBondContact O-CB 3.35Å; A522-L526 VanDerWaalsContact O-CD1 3.3Å; A522-L526 WeakPolarHBondContact O-CD1 3.4Å; A522-L526 WeakPolarHBondContact O-CG 3.5Å; A522-L526 PolarHBondContact O-N 3.24Å; A522-L613 HydrophobicContact CB-CD1 4.46Å
523	A	98.5	Very high	96.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.6	-44.3	175.6	0	0	0	0	0	112.1	V36 F518 D519 E521 V525 L526 M527 Y578	V36-A523 HydrophobicContact CG1-CB 3.98Å; F518-A523 HydrophobicContact CD2-CB 4.47Å; F518-A523 HydrophobicContact CE1-CB 4.25Å; F518-A523 HydrophobicContact CE2-CB 3.46Å; F518-A523 VanDerWaalsContact CE2-CB 3.46Å; F518-A523 HydrophobicContact CZ-CB 3.33Å; D519-A523 WeakPolarHBondContact O-CB 3.48Å; D519-A523 PolarHBondContact O-N 2.88Å; E521-A523 VanDerWaalsContact C-N 3.33Å; E521-A523 PolarHBondContact O-N 3.4Å; A523-V525 PolarHBondContact O-N 3.35Å; A523-L526 PolarHBondContact O-N 2.84Å; A523-M527 WeakPolarHBondContact O-CB 3.43Å; A523-M527 VanDerWaalsContact O-CG 3.23Å; A523-M527 WeakPolarHBondContact O-CG 3.36Å; A523-M527 PolarHBondContact O-N 2.83Å; A523-Y578 HydrophobicContact CB-CD2 4.33Å; A523-Y578 HydrophobicContact CB-CE2 3.9Å
524	A	98.5	Very high	96.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.3	-45.6	178.6	0	0	0	0	0	111.7	Q520 E521 A522 M527 A528 Y578 F581 M582	Q520-A524 VanDerWaalsContact O-CB 3.23Å; Q520-A524 WeakPolarHBondContact O-CB 3.27Å; Q520-A524 PolarHBondContact O-N 3.39Å; E521-A524 PolarHBondContact O-N 3.02Å; A522-A524 PolarHBondContact O-N 3.3Å; A524-M527 PolarHBondContact O-N 3.46Å; A524-A528 VanDerWaalsContact O-CB 3.24Å; A524-A528 WeakPolarHBondContact O-CB 3.44Å; A524-A528 PolarHBondContact O-N 3Å; A524-Y578 HydrophobicContact CB-CD2 4.34Å; A524-Y578 HydrophobicContact CB-CE2 4.29Å; A524-F581 HydrophobicContact CB-CB 3.71Å; A524-F581 HydrophobicContact CB-CD2 3.79Å; A524-F581 HydrophobicContact CB-CG 3.97Å; A524-M582 HydrophobicContact CB-CE 3.72Å
525	V	98.8	Very high	96.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.9	-41.1	177.7	176.7	0	0	0	0	111.7	L41 E521 A522 A523 M527 A528 R529 F608 L613 L617 I620	L41-V525 HydrophobicContact CD1-CB 4.09Å; L41-V525 HydrophobicContact CD1-CG1 3.85Å; L41-V525 HydrophobicContact CD2-CG1 4Å; E521-V525 PolarHBondContact O-N 3.18Å; E521-V525 VanDerWaalsContact O-N 3.12Å; A522-V525 PolarHBondContact O-N 3.02Å; A523-V525 PolarHBondContact O-N 3.35Å; V525-M527 PolarHBondContact O-N 3.4Å; V525-A528 WeakPolarHBondContact O-CB 3.49Å; V525-A528 PolarHBondContact O-N 3.33Å; V525-R529 WeakPolarHBondContact O-CG 3.47Å; V525-R529 PolarHBondContact O-N 3.44Å; V525-F608 HydrophobicContact CG1-CZ 4.3Å; V525-L613 HydrophobicContact CB-CD1 4.2Å; V525-L613 HydrophobicContact CG2-CD1 3.64Å; V525-L617 HydrophobicContact CG2-CD2 3.9Å; V525-L617 HydrophobicContact CG2-CG 4.2Å; V525-I620 HydrophobicContact CG2-CD1 4.19Å
526	L	98.7	Very high	96.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-38	179	-73.3	160.6	0	0	0	112.2	S39 L41 Y461 A522 A523 L530	S39-L526 WeakPolarHBondContact OG-CD1 3.43Å; L41-L526 HydrophobicContact CD2-CD2 3.81Å; L41-L526 HydrophobicContact CD2-CG 4.17Å; L41-L526 HydrophobicContact CG-CD2 4.1Å; L41-L526 HydrophobicContact CG-CG 4.11Å; Y461-L526 HydrophobicContact CE1-CB 4.37Å; Y461-L526 HydrophobicContact CE1-CD2 4.31Å; Y461-L526 PolarHBondContact OH-O 2.89Å; A522-L526 HydrophobicContact CB-CD1 4.46Å; A522-L526 VanDerWaalsContact O-CB 3.32Å; A522-L526 WeakPolarHBondContact O-CB 3.35Å; A522-L526 VanDerWaalsContact O-CD1 3.3Å; A522-L526 WeakPolarHBondContact O-CD1 3.4Å; A522-L526 WeakPolarHBondContact O-CG 3.5Å; A522-L526 PolarHBondContact O-N 3.24Å; A523-L526 PolarHBondContact O-N 2.84Å; L526-L530 PolarHBondContact O-N 3.04Å
527	M	98.3	Very high	96.1	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-71.3	-37.1	173.6	-70	-60.8	-67.3	0	0	112	V36 A523 A524 V525 L530 G531 W546 Q550 Y578	V36-M527 HydrophobicContact CG1-CG 4.24Å; V36-M527 HydrophobicContact CG1-SD 4.35Å; V36-M527 HydrophobicContact CG2-CG 4.21Å; V36-M527 HydrophobicContact CG2-SD 4.43Å; A523-M527 WeakPolarHBondContact O-CB 3.43Å; A523-M527 VanDerWaalsContact O-CG 3.23Å; A523-M527 WeakPolarHBondContact O-CG 3.36Å; A523-M527 PolarHBondContact O-N 2.83Å; A524-M527 PolarHBondContact O-N 3.46Å; V525-M527 PolarHBondContact O-N 3.4Å; M527-L530 WeakPolarHBondContact O-CB 3.28Å; M527-L530 PolarHBondContact O-N 3.27Å; M527-L530 HydrophobicContact SD-CD1 3.93Å; M527-G531 PolarHBondContact O-N 3.31Å; M527-W546 HydrophobicContact CE-CH2 3.47Å; M527-W546 VanDerWaalsContact CE-CH2 3.47Å; M527-W546 HydrophobicContact CE-CZ2 3.57Å; M527-W546 HydrophobicContact CE-CZ3 4.39Å; M527-W546 HydrophobicContact SD-CH2 4.42Å; M527-Q550 HydrophobicContact CE-CB 3.96Å; M527-Q550 HydrophobicContact CE-CG 3.72Å; M527-Y578 WeakPolarHBondContact CG-OH 3.45Å
528	A	98.3	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-42.5	171.9	0	0	0	0	0	112	A524 V525 L530 G531 V532 L585 F608 I620	A524-A528 VanDerWaalsContact O-CB 3.24Å; A524-A528 WeakPolarHBondContact O-CB 3.44Å; A524-A528 PolarHBondContact O-N 3Å; V525-A528 WeakPolarHBondContact O-CB 3.49Å; V525-A528 PolarHBondContact O-N 3.33Å; A528-L530 VanDerWaalsContact C-N 3.34Å; A528-L530 PolarHBondContact O-N 2.9Å; A528-G531 PolarHBondContact O-N 3.41Å; A528-G531 VanDerWaalsContact O-N 3.13Å; A528-V532 WeakPolarHBondContact O-CG2 3.2Å; A528-V532 PolarHBondContact O-N 2.96Å; A528-L585 HydrophobicContact CB-CD1 3.59Å; A528-L585 HydrophobicContact CB-CD2 3.62Å; A528-L585 HydrophobicContact CB-CG 4.25Å; A528-F608 HydrophobicContact CB-CE1 3.75Å; A528-F608 HydrophobicContact CB-CZ 3.42Å; A528-F608 VanDerWaalsContact CB-CZ 3.42Å; A528-I620 HydrophobicContact CB-CD1 3.84Å
529	R	98.3	Very high	95	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-41	175.1	-76.5	-177.9	179.8	-143.4	5.8	112.1	I421 T457 L458 Y461 V525 F533 F608 V609 Q611	I421-R529 HydrophobicContact CG2-CB 4.08Å; I421-R529 PolarHBondContact O-NH1 3.37Å; T457-R529 PolarHBondContact O-NH1 2.88Å; T457-R529 PolarHBondContact O-NH2 3.37Å; L458-R529 VanDerWaalsContact C-NH1 3.33Å; Y461-R529 WeakPolarHBondContact OH-CB 3.26Å; V525-R529 WeakPolarHBondContact O-CG 3.47Å; V525-R529 PolarHBondContact O-N 3.44Å; R529-F533 VanDerWaalsContact O-CB 3.3Å; R529-F533 WeakPolarHBondContact O-CB 3.48Å; R529-F533 PolarHBondContact O-N 3.49Å; R529-F608 HydrophobicContact CG-CD1 4.49Å; R529-F608 HydrophobicContact CG-CE1 3.85Å; R529-V609 VanDerWaalsContact CZ-O 3.27Å; R529-V609 PolarHBondContact NH1-O 3.33Å; R529-V609 PolarHBondContact NH2-O 3.19Å; R529-Q611 PolarHBondContact NH2-O 3.01Å
530	L	97.4	Very high	94.3	Very high	14 Å²	14	34.4 Å²	34.4	7%	0.073	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-43.7	171.8	-75.8	168.3	0	0	0	111.9	P37 I421 M439 Y461 L526 M527 A528 F533 R534 W546	P37-L530 HydrophobicContact CG-CD1 4.32Å; I421-L530 HydrophobicContact CD1-CD2 3.79Å; I421-L530 HydrophobicContact CD1-CG 4.28Å; M439-L530 HydrophobicContact CB-CD2 4.46Å; Y461-L530 HydrophobicContact CD1-CD1 4.18Å; Y461-L530 HydrophobicContact CD1-CD2 4.44Å; Y461-L530 HydrophobicContact CD1-CG 4.42Å; Y461-L530 HydrophobicContact CE1-CD1 3.6Å; Y461-L530 HydrophobicContact CE1-CD2 4Å; Y461-L530 HydrophobicContact CE1-CG 3.61Å; L526-L530 PolarHBondContact O-N 3.04Å; M527-L530 WeakPolarHBondContact O-CB 3.28Å; M527-L530 PolarHBondContact O-N 3.27Å; M527-L530 HydrophobicContact SD-CD1 3.93Å; A528-L530 VanDerWaalsContact C-N 3.34Å; A528-L530 PolarHBondContact O-N 2.9Å; L530-F533 PolarHBondContact O-N 3.3Å; L530-R534 WeakPolarHBondContact O-CB 3.46Å; L530-R534 VanDerWaalsContact O-CG 3.27Å; L530-R534 WeakPolarHBondContact O-CG 3.31Å; L530-R534 PolarHBondContact O-N 3.46Å; L530-W546 HydrophobicContact CB-CH2 3.66Å; L530-W546 HydrophobicContact CB-CZ2 4.31Å; L530-W546 HydrophobicContact CB-CZ3 4.46Å; L530-W546 HydrophobicContact CD1-CH2 4.38Å; L530-W546 HydrophobicContact CD1-CZ2 4.45Å
531	G	96.8	Very high	93.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-46.2	177.1	0	0	0	0	0	112.6	M527 A528 R534 A535 V543	M527-G531 PolarHBondContact O-N 3.31Å; A528-G531 PolarHBondContact O-N 3.41Å; A528-G531 VanDerWaalsContact O-N 3.13Å; G531-R534 PolarHBondContact O-N 2.65Å; G531-A535 VanDerWaalsContact O-CB 3.3Å; G531-A535 WeakPolarHBondContact O-CB 3.43Å; G531-A535 PolarHBondContact O-N 3.36Å; G531-V543 WeakPolarHBondContact O-CG1 3.41Å
532	V	96.3	Very high	93.5	Very high	3 Å²	3	37 Å²	37	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-43.9	177.1	170.1	0	0	0	0	111.4	A528 A535 E536 F590 R605 F608 V609	A528-V532 WeakPolarHBondContact O-CG2 3.2Å; A528-V532 PolarHBondContact O-N 2.96Å; V532-A535 PolarHBondContact O-N 3.14Å; V532-E536 PolarHBondContact O-N 3.28Å; V532-F590 HydrophobicContact CG2-CB 3.85Å; V532-R605 HydrophobicContact CG1-CB 4Å; V532-R605 HydrophobicContact CG1-CG 3.76Å; V532-F608 HydrophobicContact CG2-CD1 3.98Å; V532-F608 HydrophobicContact CG2-CE1 4.19Å; V532-V609 HydrophobicContact CG1-CG1 4.02Å
533	F	95.7	Very high	93.3	Very high	75 Å²	75	37 Å²	37	33%	0.329	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-45.3	177	-175.1	-93.7	0	0	0	111.6	I421 R529 L530 A535 E536	I421-F533 HydrophobicContact CD1-CB 3.83Å; I421-F533 HydrophobicContact CD1-CD2 4.5Å; I421-F533 HydrophobicContact CD1-CG 4.06Å; I421-F533 HydrophobicContact CG1-CD2 4.37Å; I421-F533 HydrophobicContact CG1-CG 4.41Å; I421-F533 HydrophobicContact CG2-CB 4.49Å; R529-F533 VanDerWaalsContact O-CB 3.3Å; R529-F533 WeakPolarHBondContact O-CB 3.48Å; R529-F533 PolarHBondContact O-N 3.49Å; L530-F533 PolarHBondContact O-N 3.3Å; F533-A535 VanDerWaalsContact C-N 3.33Å; F533-A535 PolarHBondContact O-N 3.39Å; F533-E536 WeakPolarHBondContact O-CB 3.18Å; F533-E536 PolarHBondContact O-N 3.14Å
534	R	95.1	Very high	93.1	Very high	79 Å²	79	37.9 Å²	37.9	30%	0.298	20%	0.204	S	C	.	.	H	α-helix	trans	-61.6	-40.5	174.7	-73.6	171.7	177.2	-108.6	0.6	112.1	L530 G531 E536 S537 E538 V543	L530-R534 WeakPolarHBondContact O-CB 3.46Å; L530-R534 VanDerWaalsContact O-CG 3.27Å; L530-R534 WeakPolarHBondContact O-CG 3.31Å; L530-R534 PolarHBondContact O-N 3.46Å; G531-R534 PolarHBondContact O-N 2.65Å; R534-E536 PolarHBondContact O-N 3.36Å; R534-S537 PolarHBondContact O-N 3.36Å; R534-S537 PolarHBondContact O-OG 3.23Å; R534-E538 IonicContact NH1-OE1 3.69Å; R534-E538 IonicContact NH1-OE2 2.67Å; R534-E538 WeakPolarHBondContact O-CB 3.29Å; R534-E538 PolarHBondContact O-N 3.48Å; R534-V543 HydrophobicContact CB-CG1 4.45Å; R534-V543 HydrophobicContact CB-CG2 3.99Å
535	A	92.8	Very high	92.9	Very high	14 Å²	14	44.4 Å²	44.4	12%	0.116	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-0.4	178.9	0	0	0	0	0	114.4	G531 V532 F533 V543 L591 R605	G531-A535 VanDerWaalsContact O-CB 3.3Å; G531-A535 WeakPolarHBondContact O-CB 3.43Å; G531-A535 PolarHBondContact O-N 3.36Å; V532-A535 PolarHBondContact O-N 3.14Å; F533-A535 VanDerWaalsContact C-N 3.33Å; F533-A535 PolarHBondContact O-N 3.39Å; A535-V543 HydrophobicContact CB-CG2 4.17Å; A535-L591 HydrophobicContact CB-CD2 4.11Å; A535-R605 PolarHBondContact O-NH1 2.8Å; A535-R605 VanDerWaalsContact O-NH1 3.16Å
536	E	86.2	Confident	92.8	Very high	93 Å²	93	46.1 Å²	46.1	44%	0.435	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.3	167.5	-58.3	-151.7	124.1	0	0	112.9	K362 V532 F533 R534	K362-E536 IonicContact NZ-OE1 3.8Å; K362-E536 PolarHBondContact NZ-OE1 3.43Å; V532-E536 PolarHBondContact O-N 3.28Å; F533-E536 WeakPolarHBondContact O-CB 3.18Å; F533-E536 PolarHBondContact O-N 3.14Å; R534-E536 PolarHBondContact O-N 3.36Å
537	S	83.8	Confident	92.6	Very high	103 Å²	103	46.1 Å²	46.1	72%	0.72	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-26.9	-177.2	56.8	0	0	0	0	114.6	R534	R534-S537 PolarHBondContact O-N 3.36Å; R534-S537 PolarHBondContact O-OG 3.23Å
538	E	87.4	Confident	92.5	Very high	75 Å²	75	48.2 Å²	48.2	35%	0.35	25%	0.246	S	C	.	.	S	Bend	trans	-100.5	155.2	-179.1	-60.1	176.1	-157.1	0	0	110.8	R534 V543	R534-E538 IonicContact NH1-OE1 3.69Å; R534-E538 IonicContact NH1-OE2 2.67Å; R534-E538 WeakPolarHBondContact O-CB 3.29Å; R534-E538 PolarHBondContact O-N 3.48Å; E538-V543 HydrophobicContact CB-CG2 3.93Å
539	E	82.7	Confident	92.3	Very high	144 Å²	144	55.8 Å²	55.8	67%	0.673	28%	0.275	S	S	*	.			trans	-71	143.3	175.3	-64.1	-170.2	176	0	0	111.7	D542 V543	E539-D542 PolarHBondContact O-N 2.9Å; E539-V543 PolarHBondContact O-N 2.92Å
540	G	82.7	Confident	92.2	Very high	28 Å²	28	56.9 Å²	56.9	29%	0.289	28%	0.28	S	S	.	.	H	α-helix	trans	-48.5	-49.6	-177.2	0	0	0	0	0	114.7	D542 V543 L544	G540-D542 VanDerWaalsContact C-N 3.27Å; G540-D542 PolarHBondContact O-N 3.32Å; G540-V543 PolarHBondContact O-N 2.67Å; G540-L544 WeakPolarHBondContact O-CG 3.18Å; G540-L544 PolarHBondContact O-N 3.14Å; G540-L544 VanDerWaalsContact O-N 3.12Å
541	P	88.9	Confident	92.2	Very high	71 Å²	71	56.4 Å²	56.4	46%	0.461	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-33.4	179.2	-27	36.3	0	0	0	114.6	L544 R545	P541-L544 PolarHBondContact O-N 3.42Å; P541-R545 VanDerWaalsContact O-CG 3.27Å; P541-R545 WeakPolarHBondContact O-CG 3.42Å; P541-R545 PolarHBondContact O-N 2.93Å
542	D	90.9	Very high	92.1	Very high	73 Å²	73	57.9 Å²	57.9	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-73.7	-38.5	179.7	-74	-27.6	0	0	0	111.9	E539 G540 L544 R545 W546	E539-D542 PolarHBondContact O-N 2.9Å; G540-D542 VanDerWaalsContact C-N 3.27Å; G540-D542 PolarHBondContact O-N 3.32Å; D542-L544 VanDerWaalsContact C-N 3.3Å; D542-L544 PolarHBondContact O-N 3.16Å; D542-R545 PolarHBondContact O-N 3.06Å; D542-R545 IonicContact OD1-CZ 2.75Å; D542-R545 IonicContact OD1-NH1 3.96Å; D542-R545 PolarHBondContact OD1-NH1 2.87Å; D542-W546 WeakPolarHBondContact O-CB 3.34Å; D542-W546 PolarHBondContact O-N 2.81Å
543	V	94.2	Very high	92.1	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-41.1	173.6	-177.7	0	0	0	0	110.9	G531 R534 A535 E538 E539 G540 W546 L547 L591	G531-V543 WeakPolarHBondContact O-CG1 3.41Å; R534-V543 HydrophobicContact CB-CG1 4.45Å; R534-V543 HydrophobicContact CB-CG2 3.99Å; A535-V543 HydrophobicContact CB-CG2 4.17Å; E538-V543 HydrophobicContact CB-CG2 3.93Å; E539-V543 PolarHBondContact O-N 2.92Å; G540-V543 PolarHBondContact O-N 2.67Å; V543-W546 HydrophobicContact CG1-CE3 4.49Å; V543-W546 WeakPolarHBondContact O-CB 3.4Å; V543-W546 PolarHBondContact O-N 2.86Å; V543-L547 PolarHBondContact O-N 2.93Å; V543-L591 HydrophobicContact CG1-CD2 3.98Å
544	L	93.6	Very high	92.1	Very high	18 Å²	18	61 Å²	61	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-44.6	176.4	-62.5	171.4	0	0	0	111.8	G540 P541 D542 W546 L547 D548 R586 L591	G540-L544 WeakPolarHBondContact O-CG 3.18Å; G540-L544 PolarHBondContact O-N 3.14Å; G540-L544 VanDerWaalsContact O-N 3.12Å; P541-L544 PolarHBondContact O-N 3.42Å; D542-L544 VanDerWaalsContact C-N 3.3Å; D542-L544 PolarHBondContact O-N 3.16Å; L544-W546 VanDerWaalsContact C-N 3.28Å; L544-W546 PolarHBondContact O-N 3.09Å; L544-L547 WeakPolarHBondContact O-CB 3.2Å; L544-L547 PolarHBondContact O-N 3.29Å; L544-D548 WeakPolarHBondContact O-CB 3.36Å; L544-D548 VanDerWaalsContact O-CG 3.28Å; L544-D548 PolarHBondContact O-N 3.42Å; L544-R586 HydrophobicContact CD2-CB 3.85Å; L544-L591 HydrophobicContact CD2-CB 4.12Å; L544-L591 HydrophobicContact CD2-CD1 3.99Å
545	R	94.1	Very high	92.1	Very high	137 Å²	137	57.4 Å²	57.4	52%	0.517	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-39.3	174.7	-71.8	168.3	-171.1	150	0.8	111.8	P541 D542 R549	P541-R545 VanDerWaalsContact O-CG 3.27Å; P541-R545 WeakPolarHBondContact O-CG 3.42Å; P541-R545 PolarHBondContact O-N 2.93Å; D542-R545 PolarHBondContact O-N 3.06Å; D542-R545 IonicContact OD1-CZ 2.75Å; D542-R545 IonicContact OD1-NH1 3.96Å; D542-R545 PolarHBondContact OD1-NH1 2.87Å; R545-R549 WeakPolarHBondContact O-CB 3.37Å; R545-R549 WeakPolarHBondContact O-CD 3.16Å; R545-R549 WeakPolarHBondContact O-CG 3.49Å; R545-R549 PolarHBondContact O-N 2.91Å
546	W	96.1	Very high	92.1	Very high	36 Å²	36	58.8 Å²	58.8	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-46.9	175	165.6	80	0	0	0	111.1	M527 L530 D542 V543 L544 R549 Q550	M527-W546 HydrophobicContact CE-CH2 3.47Å; M527-W546 VanDerWaalsContact CE-CH2 3.47Å; M527-W546 HydrophobicContact CE-CZ2 3.57Å; M527-W546 HydrophobicContact CE-CZ3 4.39Å; M527-W546 HydrophobicContact SD-CH2 4.42Å; L530-W546 HydrophobicContact CB-CH2 3.66Å; L530-W546 HydrophobicContact CB-CZ2 4.31Å; L530-W546 HydrophobicContact CB-CZ3 4.46Å; L530-W546 HydrophobicContact CD1-CH2 4.38Å; L530-W546 HydrophobicContact CD1-CZ2 4.45Å; D542-W546 WeakPolarHBondContact O-CB 3.34Å; D542-W546 PolarHBondContact O-N 2.81Å; V543-W546 HydrophobicContact CG1-CE3 4.49Å; V543-W546 WeakPolarHBondContact O-CB 3.4Å; V543-W546 PolarHBondContact O-N 2.86Å; L544-W546 VanDerWaalsContact C-N 3.28Å; L544-W546 PolarHBondContact O-N 3.09Å; W546-R549 PolarHBondContact O-N 3.07Å; W546-Q550 HydrophobicContact CD2-CG 4.44Å; W546-Q550 HydrophobicContact CZ2-CG 4.17Å; W546-Q550 WeakPolarHBondContact O-CG 3.44Å; W546-Q550 PolarHBondContact O-N 3.46Å; W546-Q550 PolarHBondContact O-NE2 3.06Å
547	L	96	Very high	92.4	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-47.9	179.2	-169.2	67.9	0	0	0	111.6	V543 L544 R549 Q550 L551 M582 L585 R586 L591	V543-L547 PolarHBondContact O-N 2.93Å; L544-L547 WeakPolarHBondContact O-CB 3.2Å; L544-L547 PolarHBondContact O-N 3.29Å; L547-R549 VanDerWaalsContact C-N 3.31Å; L547-R549 PolarHBondContact O-N 3.49Å; L547-Q550 PolarHBondContact O-N 3.34Å; L547-Q550 VanDerWaalsContact O-N 3.12Å; L547-L551 PolarHBondContact O-N 3.15Å; L547-M582 HydrophobicContact CD1-SD 3.63Å; L547-M582 HydrophobicContact CD2-SD 4.28Å; L547-M582 HydrophobicContact CG-SD 4.05Å; L547-L585 HydrophobicContact CD1-CD2 4.23Å; L547-L585 HydrophobicContact CD2-CD2 3.75Å; L547-L585 HydrophobicContact CD2-CG 4.12Å; L547-R586 HydrophobicContact CD2-CB 4.39Å; L547-L591 HydrophobicContact CD2-CD1 4.2Å
548	D	94.5	Very high	92.8	Very high	46 Å²	46	54 Å²	54	25%	0.246	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-42.4	177.4	-69.6	-21.7	0	0	0	110.8	L544 Q550 L551 I552 R586	L544-D548 WeakPolarHBondContact O-CB 3.36Å; L544-D548 VanDerWaalsContact O-CG 3.28Å; L544-D548 PolarHBondContact O-N 3.42Å; D548-Q550 PolarHBondContact O-N 3.14Å; D548-L551 PolarHBondContact O-N 3.05Å; D548-I552 WeakPolarHBondContact O-CD1 3.23Å; D548-I552 VanDerWaalsContact O-CG1 3.24Å; D548-I552 WeakPolarHBondContact O-CG1 3.45Å; D548-I552 PolarHBondContact O-N 3.41Å; D548-R586 IonicContact OD1-NE 3.45Å
549	R	95.6	Very high	93.1	Very high	158 Å²	158	51 Å²	51	60%	0.596	24%	0.24	S	C	*	.	H	α-helix	trans	-63.2	-38.9	175.3	-75.6	171.2	-178.6	176.5	2	112.7	R545 W546 L547 R553	R545-R549 WeakPolarHBondContact O-CB 3.37Å; R545-R549 WeakPolarHBondContact O-CD 3.16Å; R545-R549 WeakPolarHBondContact O-CG 3.49Å; R545-R549 PolarHBondContact O-N 2.91Å; W546-R549 PolarHBondContact O-N 3.07Å; L547-R549 VanDerWaalsContact C-N 3.31Å; L547-R549 PolarHBondContact O-N 3.49Å; R549-R553 WeakPolarHBondContact O-CB 3.44Å; R549-R553 VanDerWaalsContact O-CG 3.25Å; R549-R553 WeakPolarHBondContact O-CG 3.28Å; R549-R553 PolarHBondContact O-N 2.87Å; R549-R553 VanDerWaalsContact O-N 3.11Å
550	Q	96.3	Very high	93.7	Very high	24 Å²	24	50.4 Å²	50.4	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-44	175.7	-61.5	-34.6	-70	0	0	110.6	V35 M527 W546 L547 D548 I552 R553 L554	V35-Q550 HydrophobicContact CG1-CB 3.89Å; V35-Q550 HydrophobicContact CG1-CG 4.41Å; V35-Q550 WeakPolarHBondContact CG1-O 3.37Å; V35-Q550 VanDerWaalsContact CG1-OE1 3.31Å; M527-Q550 HydrophobicContact CE-CB 3.96Å; M527-Q550 HydrophobicContact CE-CG 3.72Å; W546-Q550 HydrophobicContact CD2-CG 4.44Å; W546-Q550 HydrophobicContact CZ2-CG 4.17Å; W546-Q550 WeakPolarHBondContact O-CG 3.44Å; W546-Q550 PolarHBondContact O-N 3.46Å; W546-Q550 PolarHBondContact O-NE2 3.06Å; L547-Q550 PolarHBondContact O-N 3.34Å; L547-Q550 VanDerWaalsContact O-N 3.12Å; D548-Q550 PolarHBondContact O-N 3.14Å; Q550-I552 PolarHBondContact O-N 3.02Å; Q550-R553 PolarHBondContact O-N 3.46Å; Q550-L554 WeakPolarHBondContact O-CB 3.3Å; Q550-L554 PolarHBondContact O-N 2.81Å
551	L	96.5	Very high	94.3	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-48.2	177.5	177.7	60.1	0	0	0	111.8	L547 D548 R553 L554 C555 Y578 P579 M582 F753 L757	L547-L551 PolarHBondContact O-N 3.15Å; D548-L551 PolarHBondContact O-N 3.05Å; L551-R553 PolarHBondContact O-N 3.29Å; L551-L554 PolarHBondContact O-N 3.37Å; L551-C555 PolarHBondContact O-N 3.08Å; L551-C555 PolarHBondContact O-SG 3.29Å; L551-C555 VanDerWaalsContact O-SG 3.36Å; L551-Y578 HydrophobicContact CD1-CD1 3.7Å; L551-Y578 HydrophobicContact CD1-CE1 3.82Å; L551-P579 HydrophobicContact CD1-CB 4.32Å; L551-P579 HydrophobicContact CD1-CG 4.24Å; L551-M582 HydrophobicContact CD1-CG 4.11Å; L551-M582 HydrophobicContact CD2-CB 3.87Å; L551-M582 HydrophobicContact CD2-CG 4.24Å; L551-F753 HydrophobicContact CD2-CE1 4.14Å; L551-F753 HydrophobicContact CD2-CZ 3.56Å; L551-L757 HydrophobicContact CD1-CD2 4.31Å; L551-L757 HydrophobicContact CD2-CD1 4.09Å; L551-L757 HydrophobicContact CD2-CD2 3.86Å; L551-L757 HydrophobicContact CG-CD1 3.88Å; L551-L757 HydrophobicContact CG-CD2 4.04Å
552	I	95.5	Very high	94.5	Very high	33 Å²	33	54 Å²	54	17%	0.169	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-46.3	178.4	-67.1	160.1	0	0	0	110.8	D548 Q550 L554 C555 Q556 L757 L760	D548-I552 WeakPolarHBondContact O-CD1 3.23Å; D548-I552 VanDerWaalsContact O-CG1 3.24Å; D548-I552 WeakPolarHBondContact O-CG1 3.45Å; D548-I552 PolarHBondContact O-N 3.41Å; Q550-I552 PolarHBondContact O-N 3.02Å; I552-L554 VanDerWaalsContact C-N 3.33Å; I552-L554 PolarHBondContact O-N 2.92Å; I552-C555 PolarHBondContact O-N 3.49Å; I552-Q556 HydrophobicContact CG2-CG 4.32Å; I552-Q556 WeakPolarHBondContact O-CB 3.23Å; I552-Q556 WeakPolarHBondContact O-CG 3.23Å; I552-Q556 PolarHBondContact O-N 3.38Å; I552-L757 HydrophobicContact CG1-CD1 3.87Å; I552-L760 HydrophobicContact CD1-CB 4.22Å; I552-L760 HydrophobicContact CD1-CD1 3.67Å; I552-L760 HydrophobicContact CG1-CB 4.3Å; I552-L760 HydrophobicContact CG1-CD1 4.42Å; I552-L760 HydrophobicContact CG2-CB 4.42Å
553	R	95.3	Very high	94.6	Very high	140 Å²	140	57 Å²	57	53%	0.528	25%	0.252	S	S	.	.	H	α-helix	trans	-63	-38.6	178.9	-74.1	173.5	176.3	-174.8	-2.2	112.5	V35 R549 Q550 L551 Q556 K557	V35-R553 HydrophobicContact CG1-CB 4.04Å; V35-R553 HydrophobicContact CG2-CB 3.68Å; R549-R553 WeakPolarHBondContact O-CB 3.44Å; R549-R553 VanDerWaalsContact O-CG 3.25Å; R549-R553 WeakPolarHBondContact O-CG 3.28Å; R549-R553 PolarHBondContact O-N 2.87Å; R549-R553 VanDerWaalsContact O-N 3.11Å; Q550-R553 PolarHBondContact O-N 3.46Å; L551-R553 PolarHBondContact O-N 3.29Å; R553-Q556 PolarHBondContact O-N 3.12Å; R553-K557 WeakPolarHBondContact O-CB 3.47Å; R553-K557 PolarHBondContact O-N 3.07Å
554	L	95	Very high	94.6	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-46.5	176.3	-170.7	75.2	0	0	0	110.5	W21 V35 V36 F518 Q550 L551 I552 Q556 K557 F558 L575 Y578	W21-L554 HydrophobicContact CZ2-CD1 4.48Å; V35-L554 HydrophobicContact CB-CD1 4.4Å; V36-L554 HydrophobicContact CG2-CD1 4.3Å; F518-L554 HydrophobicContact CZ-CD2 4.25Å; Q550-L554 WeakPolarHBondContact O-CB 3.3Å; Q550-L554 PolarHBondContact O-N 2.81Å; L551-L554 PolarHBondContact O-N 3.37Å; I552-L554 VanDerWaalsContact C-N 3.33Å; I552-L554 PolarHBondContact O-N 2.92Å; L554-Q556 PolarHBondContact O-N 3.21Å; L554-K557 PolarHBondContact O-N 2.62Å; L554-F558 HydrophobicContact CD1-CD2 3.68Å; L554-F558 HydrophobicContact CD1-CE2 3.82Å; L554-F558 HydrophobicContact CG-CD2 4.27Å; L554-F558 PolarHBondContact O-N 3Å; L554-L575 HydrophobicContact CD1-CD2 4.47Å; L554-L575 HydrophobicContact CD2-CD2 3.79Å; L554-L575 HydrophobicContact CG-CD2 4.05Å; L554-Y578 HydrophobicContact CD2-CD1 3.53Å; L554-Y578 HydrophobicContact CD2-CE1 3.51Å; L554-Y578 HydrophobicContact CD2-CG 4.12Å
555	C	95.1	Very high	94.6	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-37.8	175.9	-69.3	0	0	0	0	112.8	L551 I552 K557 G559 F569 A761	L551-C555 PolarHBondContact O-N 3.08Å; L551-C555 PolarHBondContact O-SG 3.29Å; L551-C555 VanDerWaalsContact O-SG 3.36Å; I552-C555 PolarHBondContact O-N 3.49Å; C555-K557 VanDerWaalsContact C-N 3.33Å; C555-G559 WeakPolarHBondContact O-CA 3.33Å; C555-G559 PolarHBondContact O-N 3.03Å; C555-F569 HydrophobicContact CB-CE2 4.01Å; C555-F569 HydrophobicContact CB-CZ 3.71Å; C555-A761 HydrophobicContact CB-CB 3.86Å
556	Q	94	Very high	94.5	Very high	44 Å²	44	58.9 Å²	58.9	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-34.5	174.9	-77.1	172.5	-21.3	0	0	112.4	I552 R553 L554 L760 A761 S765	I552-Q556 HydrophobicContact CG2-CG 4.32Å; I552-Q556 WeakPolarHBondContact O-CB 3.23Å; I552-Q556 WeakPolarHBondContact O-CG 3.23Å; I552-Q556 PolarHBondContact O-N 3.38Å; R553-Q556 PolarHBondContact O-N 3.12Å; L554-Q556 PolarHBondContact O-N 3.21Å; Q556-L760 PolarHBondContact NE2-O 2.99Å; Q556-A761 VanDerWaalsContact CG-O 3.31Å; Q556-A761 WeakPolarHBondContact CG-O 3.24Å; Q556-S765 PolarHBondContact NE2-OG 3.44Å; Q556-S765 VanDerWaalsContact NE2-OG 3.08Å
557	K	92.2	Very high	94.5	Very high	87 Å²	87	62.4 Å²	62.4	38%	0.378	30%	0.3	S	S	.	.	H	α-helix	trans	-81.7	-40.9	-175.6	-176.4	63.5	174.3	178	0	113.3	R553 L554 C555	R553-K557 WeakPolarHBondContact O-CB 3.47Å; R553-K557 PolarHBondContact O-N 3.07Å; L554-K557 PolarHBondContact O-N 2.62Å; C555-K557 VanDerWaalsContact C-N 3.33Å
558	F	93.3	Very high	94.4	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.035	31%	0.308	C	S	.	.	H	α-helix	trans	-114.8	-11	-173.1	-63.3	-76.3	0	0	0	114	W21 L34 I511 E515 L554 L575	W21-F558 HydrophobicContact CH2-CD2 4.45Å; W21-F558 HydrophobicContact CH2-CE1 4.4Å; W21-F558 AromaticContact CH2-CE2 3.63Å; W21-F558 HydrophobicContact CH2-CE2 3.63Å; W21-F558 AromaticContact CH2-CZ 3.6Å; W21-F558 HydrophobicContact CH2-CZ 3.6Å; W21-F558 HydrophobicContact CZ2-CE2 4.33Å; W21-F558 HydrophobicContact CZ2-CZ 4.49Å; W21-F558 HydrophobicContact CZ3-CZ 4.09Å; L34-F558 HydrophobicContact CD2-CZ 3.81Å; I511-F558 HydrophobicContact CD1-CE1 3.91Å; I511-F558 HydrophobicContact CD1-CZ 4.39Å; I511-F558 HydrophobicContact CG1-CE1 4.19Å; E515-F558 HydrophobicContact CB-CD1 3.94Å; E515-F558 HydrophobicContact CB-CE1 4.17Å; E515-F558 HydrophobicContact CG-CB 4.5Å; E515-F558 HydrophobicContact CG-CD1 3.82Å; E515-F558 HydrophobicContact CG-CE1 4.49Å; E515-F558 HydrophobicContact CG-CG 4.46Å; L554-F558 HydrophobicContact CD1-CD2 3.68Å; L554-F558 HydrophobicContact CD1-CE2 3.82Å; L554-F558 HydrophobicContact CG-CD2 4.27Å; L554-F558 PolarHBondContact O-N 3Å; F558-L575 HydrophobicContact CB-CD1 3.79Å; F558-L575 HydrophobicContact CG-CD1 4.34Å
559	G	93.2	Very high	94.5	Very high	13 Å²	13	61.8 Å²	61.8	13%	0.134	30%	0.299	C	S	.	.			trans	-73.3	147.3	174.5	0	0	0	0	0	112.1	C555 F561	C555-G559 WeakPolarHBondContact O-CA 3.33Å; C555-G559 PolarHBondContact O-N 3.03Å; G559-F561 WeakPolarHBondContact O-CD1 3.23Å
560	Q	93.9	Very high	94.5	Very high	130 Å²	130	62 Å²	62	61%	0.607	30%	0.299	S	S	*	.	B	Isolated β-bridge	trans	-100	123.7	172.5	-62.6	177	12.3	0	0	108.6	F569 R570	Q560-F569 CarbonylContact O-C 3.56Å; Q560-F569 WeakPolarHBondContact O-CA 3.07Å; Q560-R570 HydrophobicContact CB-CB 4.48Å; Q560-R570 PolarHBondContact N-O 2.87Å; Q560-R570 PolarHBondContact O-N 2.96Å
561	F	95.7	Very high	94.4	Very high	68 Å²	68	62.8 Å²	62.8	30%	0.298	30%	0.304	S	S	.	.			trans	-161	156	-179.3	53.3	-89.7	0	0	0	112	G559 F569 A761 V762	G559-F561 WeakPolarHBondContact O-CD1 3.23Å; F561-F569 HydrophobicContact CB-CB 4.34Å; F561-F569 HydrophobicContact CB-CD2 4.1Å; F561-F569 AromaticContact CD1-CD2 3.76Å; F561-F569 HydrophobicContact CD1-CD2 3.76Å; F561-F569 HydrophobicContact CD1-CE2 4.03Å; F561-F569 HydrophobicContact CG-CD2 4.22Å; F561-A761 WeakPolarHBondContact CZ-O 3.31Å; F561-V762 HydrophobicContact CB-CG1 3.57Å; F561-V762 HydrophobicContact CD1-CG1 4.47Å; F561-V762 HydrophobicContact CD2-CB 3.89Å; F561-V762 HydrophobicContact CD2-CG1 3.73Å; F561-V762 HydrophobicContact CE2-CB 4.43Å; F561-V762 HydrophobicContact CG-CB 4.36Å; F561-V762 HydrophobicContact CG-CG1 3.68Å
562	N	94.3	Very high	94.2	Very high	107 Å²	107	64.1 Å²	64.1	57%	0.572	31%	0.314	S	S	*	.			trans	-83.4	136.9	160.7	-64.6	-34.3	0	0	0	108.7	D564 D565 S568	N562-D564 PolarHBondContact O-N 3.34Å; N562-D565 HydrophobicContact CB-CB 4.1Å; N562-D565 PolarHBondContact O-N 3.44Å; N562-S568 PolarHBondContact N-OG 3.32Å; N562-S568 PolarHBondContact O-OG 3.47Å
563	K	93.3	Very high	94.1	Very high	137 Å²	137	70.7 Å²	70.7	60%	0.596	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	136.1	179.7	-168.3	-174.9	171.6	178.5	0	110.5	D565 S764	K563-D565 PolarHBondContact O-N 3.25Å; K563-D565 VanDerWaalsContact O-N 3.13Å; K563-S764 WeakPolarHBondContact CE-OG 3.15Å; K563-S764 PolarHBondContact NZ-OG 3.34Å
564	D	92.3	Very high	93.8	Very high	103 Å²	103	65.2 Å²	65.2	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	14.1	179	-52.3	-50	0	0	0	114.9	N562 V762	N562-D564 PolarHBondContact O-N 3.34Å; D564-V762 PolarHBondContact N-O 3.36Å
565	D	94.2	Very high	93.8	Very high	51 Å²	51	65.2 Å²	65.2	27%	0.273	33%	0.327	S	S	.	.			trans	-119.2	95.7	173.8	174.5	11.8	0	0	0	111.8	N562 K563 T567 S568	N562-D565 HydrophobicContact CB-CB 4.1Å; N562-D565 PolarHBondContact O-N 3.44Å; K563-D565 PolarHBondContact O-N 3.25Å; K563-D565 VanDerWaalsContact O-N 3.13Å; D565-T567 PolarHBondContact O-N 2.93Å; D565-T567 VanDerWaalsContact O-N 3.16Å; D565-T567 WeakPolarHBondContact OD1-CB 3.18Å; D565-T567 PolarHBondContact OD1-N 3.14Å; D565-T567 PolarHBondContact OD1-OG1 3.17Å; D565-S568 PolarHBondContact O-N 2.73Å; D565-S568 PolarHBondContact O-OG 3.36Å; D565-S568 WeakPolarHBondContact OD2-CB 3.26Å
566	P	92.9	Very high	93.8	Very high	41 Å²	41	67.7 Å²	67.7	27%	0.266	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-64	-21.9	-177.4	-22.5	33.1	0	0	0	114.3	S568 F569 K758 K759 V762	P566-S568 VanDerWaalsContact C-N 3.32Å; P566-F569 PolarHBondContact O-N 3.05Å; P566-K758 HydrophobicContact CB-CB 4.15Å; P566-K759 HydrophobicContact CB-CG 4.1Å; P566-K759 HydrophobicContact CG-CB 4.45Å; P566-K759 HydrophobicContact CG-CG 3.73Å; P566-V762 HydrophobicContact CB-CG2 4.32Å; P566-V762 HydrophobicContact CG-CG2 3.88Å
567	T	94.4	Very high	93.8	Very high	110 Å²	110	68.8 Å²	68.8	68%	0.675	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-77.1	-24.1	-177.1	70	0	0	0	0	112.4	D565 F569	D565-T567 PolarHBondContact O-N 2.93Å; D565-T567 VanDerWaalsContact O-N 3.16Å; D565-T567 WeakPolarHBondContact OD1-CB 3.18Å; D565-T567 PolarHBondContact OD1-N 3.14Å; D565-T567 PolarHBondContact OD1-OG1 3.17Å; T567-F569 VanDerWaalsContact C-N 3.27Å; T567-F569 PolarHBondContact O-N 3.01Å
568	S	95.4	Very high	94.1	Very high	26 Å²	26	64.8 Å²	64.8	18%	0.182	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-74.2	-13.9	175.6	71.5	0	0	0	0	114	N562 D565 P566 R570	N562-S568 PolarHBondContact N-OG 3.32Å; N562-S568 PolarHBondContact O-OG 3.47Å; D565-S568 PolarHBondContact O-N 2.73Å; D565-S568 PolarHBondContact O-OG 3.36Å; D565-S568 WeakPolarHBondContact OD2-CB 3.26Å; P566-S568 VanDerWaalsContact C-N 3.32Å; S568-R570 PolarHBondContact O-N 3.48Å
569	F	96.1	Very high	94.2	Very high	9 Å²	9	64.5 Å²	64.5	4%	0.039	33%	0.333	C	S	.	.			trans	-66.8	123.6	-172.7	-175.9	-91.4	0	0	0	112.6	C555 Q560 F561 P566 T567 L571 K758 A761 V762	C555-F569 HydrophobicContact CB-CE2 4.01Å; C555-F569 HydrophobicContact CB-CZ 3.71Å; Q560-F569 CarbonylContact O-C 3.56Å; Q560-F569 WeakPolarHBondContact O-CA 3.07Å; F561-F569 HydrophobicContact CB-CB 4.34Å; F561-F569 HydrophobicContact CB-CD2 4.1Å; F561-F569 AromaticContact CD1-CD2 3.76Å; F561-F569 HydrophobicContact CD1-CD2 3.76Å; F561-F569 HydrophobicContact CD1-CE2 4.03Å; F561-F569 HydrophobicContact CG-CD2 4.22Å; P566-F569 PolarHBondContact O-N 3.05Å; T567-F569 VanDerWaalsContact C-N 3.27Å; T567-F569 PolarHBondContact O-N 3.01Å; F569-L571 HydrophobicContact CE1-CD1 3.99Å; F569-L571 HydrophobicContact CE1-CD2 4.16Å; F569-L571 HydrophobicContact CE1-CG 3.67Å; F569-L571 HydrophobicContact CZ-CD1 4.27Å; F569-L571 HydrophobicContact CZ-CD2 3.77Å; F569-L571 HydrophobicContact CZ-CG 3.83Å; F569-K758 HydrophobicContact CB-CB 4.35Å; F569-K758 HydrophobicContact CB-CG 4.01Å; F569-K758 HydrophobicContact CD1-CG 3.69Å; F569-K758 HydrophobicContact CE1-CG 4.44Å; F569-K758 HydrophobicContact CG-CG 4.01Å; F569-A761 HydrophobicContact CD2-CB 4.06Å; F569-A761 HydrophobicContact CE2-CB 3.68Å; F569-A761 HydrophobicContact CZ-CB 4.34Å; F569-V762 HydrophobicContact CB-CG1 4.17Å; F569-V762 HydrophobicContact CD2-CG1 4.2Å
570	R	94.8	Very high	94.3	Very high	162 Å²	162	65.6 Å²	65.6	61%	0.611	34%	0.335	S	S	*	.	B	Isolated β-bridge	trans	-132	146.4	176.3	-58.3	-63.9	-179.4	-154.6	-0.9	110.6	Q560 S568	Q560-R570 HydrophobicContact CB-CB 4.48Å; Q560-R570 PolarHBondContact N-O 2.87Å; Q560-R570 PolarHBondContact O-N 2.96Å; S568-R570 PolarHBondContact O-N 3.48Å
571	L	94.2	Very high	94.5	Very high	40 Å²	40	60.2 Å²	60.2	21%	0.209	31%	0.309	C	S	.	.			trans	-115.8	147.4	168.2	-70.1	171.7	0	0	0	108.7	F569 L575 P579	F569-L571 HydrophobicContact CE1-CD1 3.99Å; F569-L571 HydrophobicContact CE1-CD2 4.16Å; F569-L571 HydrophobicContact CE1-CG 3.67Å; F569-L571 HydrophobicContact CZ-CD1 4.27Å; F569-L571 HydrophobicContact CZ-CD2 3.77Å; F569-L571 HydrophobicContact CZ-CG 3.83Å; L571-L575 HydrophobicContact CB-CB 4.4Å; L571-L575 HydrophobicContact CD2-CB 4.3Å; L571-P579 HydrophobicContact CD1-CG 3.62Å
572	S	94	Very high	94.5	Very high	32 Å²	32	57.1 Å²	57.1	22%	0.224	30%	0.295	C	S	.	.			trans	-69.5	164.5	169.4	55.9	0	0	0	0	111.1	E515 S574 L575 S576	E515-S572 WeakPolarHBondContact OE1-CB 3.41Å; E515-S572 PolarHBondContact OE1-OG 3.42Å; S572-S574 PolarHBondContact O-N 3.01Å; S572-S574 PolarHBondContact OG-OG 2.98Å; S572-L575 PolarHBondContact O-N 3.03Å; S572-S576 WeakPolarHBondContact O-CB 3.47Å; S572-S576 PolarHBondContact O-N 2.92Å
573	E	91.8	Very high	94.5	Very high	170 Å²	170	52 Å²	52	79%	0.794	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.4	179.5	-171.2	177.1	-176.3	0	0	112.9	Q520 L575 S576	Q520-E573 PolarHBondContact NE2-O 2.71Å; Q520-E573 VanDerWaalsContact NE2-O 3.11Å; E573-L575 PolarHBondContact O-N 2.99Å; E573-S576 PolarHBondContact O-OG 3.44Å
574	S	90.2	Very high	94.6	Very high	26 Å²	26	46 Å²	46	18%	0.182	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.1	177.8	57.5	0	0	0	0	113.7	E515 F518 Q520 S572	E515-S574 PolarHBondContact O-OG 2.85Å; F518-S574 WeakPolarHBondContact CD1-O 3.32Å; Q520-S574 WeakPolarHBondContact CB-O 3.2Å; Q520-S574 WeakPolarHBondContact CG-O 3.5Å; Q520-S574 PolarHBondContact OE1-O 3.05Å; S572-S574 PolarHBondContact O-N 3.01Å; S572-S574 PolarHBondContact OG-OG 2.98Å
575	L	94.1	Very high	94.7	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-8.6	-175.3	-78.6	138.2	0	0	0	113.8	E515 F518 L554 F558 L571 S572 E573 L577 Y578 P579	E515-L575 HydrophobicContact CG-CD1 3.56Å; F518-L575 HydrophobicContact CD1-CD2 3.71Å; F518-L575 HydrophobicContact CD1-CG 3.8Å; F518-L575 HydrophobicContact CE1-CD2 3.61Å; F518-L575 HydrophobicContact CE1-CG 4.14Å; F518-L575 HydrophobicContact CZ-CD2 4.38Å; L554-L575 HydrophobicContact CD1-CD2 4.47Å; L554-L575 HydrophobicContact CD2-CD2 3.79Å; L554-L575 HydrophobicContact CG-CD2 4.05Å; F558-L575 HydrophobicContact CB-CD1 3.79Å; F558-L575 HydrophobicContact CG-CD1 4.34Å; L571-L575 HydrophobicContact CB-CB 4.4Å; L571-L575 HydrophobicContact CD2-CB 4.3Å; S572-L575 PolarHBondContact O-N 3.03Å; E573-L575 PolarHBondContact O-N 2.99Å; L575-L577 VanDerWaalsContact C-N 3.32Å; L575-L577 PolarHBondContact O-N 3Å; L575-Y578 WeakPolarHBondContact O-CB 3.35Å; L575-Y578 PolarHBondContact O-N 2.85Å; L575-P579 VanDerWaalsContact O-CD 3.26Å; L575-P579 WeakPolarHBondContact O-CD 3.47Å
576	S	94.9	Very high	94.7	Very high	55 Å²	55	41.7 Å²	41.7	39%	0.385	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.7	-167.6	60.1	0	0	0	0	114.2	S572 E573	S572-S576 WeakPolarHBondContact O-CB 3.47Å; S572-S576 PolarHBondContact O-N 2.92Å; E573-S576 PolarHBondContact O-OG 3.44Å
577	L	95.3	Very high	94.6	Very high	67 Å²	67	42.1 Å²	42.1	35%	0.351	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-19.1	179.3	-56.5	177.8	0	0	0	112.7	L575 Q580 F581	L575-L577 VanDerWaalsContact C-N 3.32Å; L575-L577 PolarHBondContact O-N 3Å; L577-Q580 WeakPolarHBondContact O-CA 3.18Å; L577-Q580 WeakPolarHBondContact O-CB 3.36Å; L577-Q580 PolarHBondContact O-N 2.93Å; L577-F581 HydrophobicContact CB-CD2 4.29Å; L577-F581 HydrophobicContact CB-CE2 3.78Å; L577-F581 HydrophobicContact CB-CZ 4.17Å; L577-F581 HydrophobicContact CD1-CZ 4.48Å; L577-F581 WeakPolarHBondContact O-CD2 3.49Å; L577-F581 PolarHBondContact O-N 3.47Å
578	Y	97.4	Very high	94.5	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-55.8	-46.4	-177.1	-171.7	-90.2	0	0	0	113.5	F518 Q520 A523 A524 M527 L551 L554 L575 Q580 F581 M582	F518-Y578 HydrophobicContact CE1-CD2 4.06Å; F518-Y578 HydrophobicContact CE1-CG 4.41Å; F518-Y578 AromaticContact CZ-CD2 3.95Å; F518-Y578 HydrophobicContact CZ-CD2 3.95Å; F518-Y578 HydrophobicContact CZ-CE2 4.1Å; Q520-Y578 HydrophobicContact CB-CD2 4.41Å; A523-Y578 HydrophobicContact CB-CD2 4.33Å; A523-Y578 HydrophobicContact CB-CE2 3.9Å; A524-Y578 HydrophobicContact CB-CD2 4.34Å; A524-Y578 HydrophobicContact CB-CE2 4.29Å; M527-Y578 WeakPolarHBondContact CG-OH 3.45Å; L551-Y578 HydrophobicContact CD1-CD1 3.7Å; L551-Y578 HydrophobicContact CD1-CE1 3.82Å; L554-Y578 HydrophobicContact CD2-CD1 3.53Å; L554-Y578 HydrophobicContact CD2-CE1 3.51Å; L554-Y578 HydrophobicContact CD2-CG 4.12Å; L575-Y578 WeakPolarHBondContact O-CB 3.35Å; L575-Y578 PolarHBondContact O-N 2.85Å; Y578-Q580 VanDerWaalsContact C-N 3.28Å; Y578-Q580 PolarHBondContact O-N 3.31Å; Y578-F581 PolarHBondContact O-N 3.12Å; Y578-M582 HydrophobicContact CD1-CG 3.97Å; Y578-M582 HydrophobicContact CE1-CE 4.47Å; Y578-M582 HydrophobicContact CE1-CG 3.59Å; Y578-M582 HydrophobicContact CE1-SD 4.02Å; Y578-M582 HydrophobicContact CE2-CE 4.12Å; Y578-M582 WeakPolarHBondContact O-CG 3.46Å; Y578-M582 PolarHBondContact O-N 3.11Å
579	P	96.8	Very high	94.4	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-35.2	174	-24.4	34.7	0	0	0	113.8	L551 L571 L575 M582 F583 M754 L757	L551-P579 HydrophobicContact CD1-CB 4.32Å; L551-P579 HydrophobicContact CD1-CG 4.24Å; L571-P579 HydrophobicContact CD1-CG 3.62Å; L575-P579 VanDerWaalsContact O-CD 3.26Å; L575-P579 WeakPolarHBondContact O-CD 3.47Å; P579-M582 PolarHBondContact O-N 3.39Å; P579-F583 WeakPolarHBondContact O-CB 3.42Å; P579-F583 PolarHBondContact O-N 2.95Å; P579-M754 HydrophobicContact CB-CE 4.06Å; P579-M754 HydrophobicContact CB-SD 3.57Å; P579-M754 VanDerWaalsContact CB-SD 3.57Å; P579-M754 HydrophobicContact CG-CE 4.36Å; P579-M754 HydrophobicContact CG-SD 4.47Å; P579-L757 HydrophobicContact CB-CD2 3.84Å; P579-L757 HydrophobicContact CG-CD2 4.19Å
580	Q	94.8	Very high	94.3	Very high	37 Å²	37	36.3 Å²	36.3	17%	0.173	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-44.7	177.4	-177.1	178	5.7	0	0	110.9	L577 Y578 M582 F583 H584 Q621 L750	L577-Q580 WeakPolarHBondContact O-CA 3.18Å; L577-Q580 WeakPolarHBondContact O-CB 3.36Å; L577-Q580 PolarHBondContact O-N 2.93Å; Y578-Q580 VanDerWaalsContact C-N 3.28Å; Y578-Q580 PolarHBondContact O-N 3.31Å; Q580-M582 VanDerWaalsContact C-N 3.3Å; Q580-M582 PolarHBondContact O-N 2.92Å; Q580-F583 WeakPolarHBondContact O-CB 3.24Å; Q580-F583 PolarHBondContact O-N 3.33Å; Q580-F583 VanDerWaalsContact O-N 3.16Å; Q580-H584 PolarHBondContact O-CD2 3.17Å; Q580-H584 PolarHBondContact O-N 2.8Å; Q580-Q621 VanDerWaalsContact NE2-NE2 3.13Å; Q580-L750 HydrophobicContact CG-CD2 4.18Å
581	F	96.8	Very high	94.2	Very high	16 Å²	16	29 Å²	29	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-42.6	173.2	-65.1	-46.1	0	0	0	111.8	E521 A524 L577 Y578 F583 H584 L585 L617 Q621	E521-F581 HydrophobicContact CG-CE2 4.13Å; E521-F581 HydrophobicContact CG-CZ 4.18Å; A524-F581 HydrophobicContact CB-CB 3.71Å; A524-F581 HydrophobicContact CB-CD2 3.79Å; A524-F581 HydrophobicContact CB-CG 3.97Å; L577-F581 HydrophobicContact CB-CD2 4.29Å; L577-F581 HydrophobicContact CB-CE2 3.78Å; L577-F581 HydrophobicContact CB-CZ 4.17Å; L577-F581 HydrophobicContact CD1-CZ 4.48Å; L577-F581 WeakPolarHBondContact O-CD2 3.49Å; L577-F581 PolarHBondContact O-N 3.47Å; Y578-F581 PolarHBondContact O-N 3.12Å; F581-F583 VanDerWaalsContact C-N 3.32Å; F581-F583 PolarHBondContact O-N 3.47Å; F581-H584 PolarHBondContact O-N 3.42Å; F581-L585 VanDerWaalsContact O-CB 3.23Å; F581-L585 WeakPolarHBondContact O-CB 3.46Å; F581-L585 PolarHBondContact O-N 3.35Å; F581-L617 HydrophobicContact CD1-CD2 4.33Å; F581-L617 HydrophobicContact CE1-CD2 4Å; F581-L617 HydrophobicContact CE2-CD2 4.5Å; F581-L617 HydrophobicContact CZ-CD2 4.09Å; F581-Q621 HydrophobicContact CD1-CB 4.47Å
582	M	96.9	Very high	94	Very high	3 Å²	3	31 Å²	31	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-36.7	177.1	-65.6	-57.1	97.9	0	0	112.3	A524 L547 L551 Y578 P579 Q580 L585 R586	A524-M582 HydrophobicContact CB-CE 3.72Å; L547-M582 HydrophobicContact CD1-SD 3.63Å; L547-M582 HydrophobicContact CD2-SD 4.28Å; L547-M582 HydrophobicContact CG-SD 4.05Å; L551-M582 HydrophobicContact CD1-CG 4.11Å; L551-M582 HydrophobicContact CD2-CB 3.87Å; L551-M582 HydrophobicContact CD2-CG 4.24Å; Y578-M582 HydrophobicContact CD1-CG 3.97Å; Y578-M582 HydrophobicContact CE1-CE 4.47Å; Y578-M582 HydrophobicContact CE1-CG 3.59Å; Y578-M582 HydrophobicContact CE1-SD 4.02Å; Y578-M582 HydrophobicContact CE2-CE 4.12Å; Y578-M582 WeakPolarHBondContact O-CG 3.46Å; Y578-M582 PolarHBondContact O-N 3.11Å; P579-M582 PolarHBondContact O-N 3.39Å; Q580-M582 VanDerWaalsContact C-N 3.3Å; Q580-M582 PolarHBondContact O-N 2.92Å; M582-L585 HydrophobicContact CE-CD2 3.9Å; M582-L585 HydrophobicContact SD-CD2 4.15Å; M582-R586 WeakPolarHBondContact O-CB 3.25Å; M582-R586 VanDerWaalsContact O-CG 3.25Å; M582-R586 WeakPolarHBondContact O-CG 3.46Å; M582-R586 PolarHBondContact O-N 3.3Å
583	F	94.8	Very high	93.7	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-44.5	174.3	170.6	-99.7	0	0	0	112.7	P579 Q580 F581 R586 R587 V748 L750 F753	P579-F583 WeakPolarHBondContact O-CB 3.42Å; P579-F583 PolarHBondContact O-N 2.95Å; Q580-F583 WeakPolarHBondContact O-CB 3.24Å; Q580-F583 PolarHBondContact O-N 3.33Å; Q580-F583 VanDerWaalsContact O-N 3.16Å; F581-F583 VanDerWaalsContact C-N 3.32Å; F581-F583 PolarHBondContact O-N 3.47Å; F583-R586 WeakPolarHBondContact O-CG 3.36Å; F583-R587 WeakPolarHBondContact O-CG 3.47Å; F583-V748 WeakPolarHBondContact CE2-O 3.44Å; F583-L750 HydrophobicContact CB-CD1 3.75Å; F583-L750 HydrophobicContact CD1-CB 4.15Å; F583-L750 HydrophobicContact CD1-CD1 3.74Å; F583-L750 HydrophobicContact CD1-CG 4.45Å; F583-L750 HydrophobicContact CD2-CD1 4.19Å; F583-L750 HydrophobicContact CE1-CB 3.91Å; F583-L750 HydrophobicContact CE1-CD1 4.38Å; F583-L750 HydrophobicContact CE2-CB 4.46Å; F583-L750 HydrophobicContact CG-CD1 3.62Å; F583-L750 HydrophobicContact CZ-CB 4.07Å; F583-F753 HydrophobicContact CB-CD1 3.89Å; F583-F753 HydrophobicContact CB-CE1 3.82Å; F583-F753 HydrophobicContact CB-CG 4.43Å; F583-F753 HydrophobicContact CB-CZ 4.32Å; F583-F753 HydrophobicContact CD2-CB 3.76Å; F583-F753 AromaticContact CD2-CD1 3.92Å; F583-F753 HydrophobicContact CD2-CD1 3.92Å; F583-F753 HydrophobicContact CD2-CD2 4.14Å; F583-F753 AromaticContact CD2-CG 3.67Å; F583-F753 HydrophobicContact CD2-CG 3.67Å; F583-F753 HydrophobicContact CE2-CB 4.08Å; F583-F753 HydrophobicContact CE2-CG 4.46Å; F583-F753 HydrophobicContact CG-CD1 4.28Å; F583-F753 HydrophobicContact CG-CG 4.47Å
584	H	94.4	Very high	93.2	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-72.8	-38.9	177.4	-69.5	-72	0	0	0	111.8	Q580 F581 R586 R587 S588 I620 Q621	Q580-H584 PolarHBondContact O-CD2 3.17Å; Q580-H584 PolarHBondContact O-N 2.8Å; F581-H584 PolarHBondContact O-N 3.42Å; H584-R586 PolarHBondContact O-N 2.78Å; H584-R587 VanDerWaalsContact O-CG 3.3Å; H584-R587 WeakPolarHBondContact O-CG 3.47Å; H584-R587 PolarHBondContact O-N 3.07Å; H584-S588 WeakPolarHBondContact O-CB 3.3Å; H584-S588 PolarHBondContact O-N 2.75Å; H584-I620 HydrophobicContact CB-CG2 4.29Å; H584-I620 WeakPolarHBondContact CB-O 3.43Å; H584-Q621 HydrophobicContact CB-CB 4.14Å; H584-Q621 VanDerWaalsContact CD2-CD 3.5Å; H584-Q621 PolarHBondContact CD2-OE1 3.5Å
585	L	95.4	Very high	93	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-48.5	176.7	175	62	0	0	0	112.4	A528 L547 F581 M582 R587 S588 L591 I620	A528-L585 HydrophobicContact CB-CD1 3.59Å; A528-L585 HydrophobicContact CB-CD2 3.62Å; A528-L585 HydrophobicContact CB-CG 4.25Å; L547-L585 HydrophobicContact CD1-CD2 4.23Å; L547-L585 HydrophobicContact CD2-CD2 3.75Å; L547-L585 HydrophobicContact CD2-CG 4.12Å; F581-L585 VanDerWaalsContact O-CB 3.23Å; F581-L585 WeakPolarHBondContact O-CB 3.46Å; F581-L585 PolarHBondContact O-N 3.35Å; M582-L585 HydrophobicContact CE-CD2 3.9Å; M582-L585 HydrophobicContact SD-CD2 4.15Å; L585-R587 PolarHBondContact O-N 3.19Å; L585-S588 VanDerWaalsContact O-CB 3.28Å; L585-S588 WeakPolarHBondContact O-CB 3.22Å; L585-S588 PolarHBondContact O-N 3.26Å; L585-S588 VanDerWaalsContact O-N 3.08Å; L585-S588 PolarHBondContact O-OG 2.88Å; L585-L591 HydrophobicContact CD1-CD1 4.19Å; L585-L591 HydrophobicContact CG-CD1 3.99Å; L585-I620 HydrophobicContact CB-CG2 3.96Å; L585-I620 HydrophobicContact CD1-CG1 4.35Å
586	R	93.3	Very high	93	Very high	63 Å²	63	37.1 Å²	37.1	24%	0.238	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-21	-177.1	66.9	-173.2	-65.9	-78.9	-1.9	114.3	L544 L547 D548 M582 F583 H584 Q592	L544-R586 HydrophobicContact CD2-CB 3.85Å; L547-R586 HydrophobicContact CD2-CB 4.39Å; D548-R586 IonicContact OD1-NE 3.45Å; M582-R586 WeakPolarHBondContact O-CB 3.25Å; M582-R586 VanDerWaalsContact O-CG 3.25Å; M582-R586 WeakPolarHBondContact O-CG 3.46Å; M582-R586 PolarHBondContact O-N 3.3Å; F583-R586 WeakPolarHBondContact O-CG 3.36Å; H584-R586 PolarHBondContact O-N 2.78Å; R586-Q592 VanDerWaalsContact O-CG 3.23Å; R586-Q592 WeakPolarHBondContact O-CG 3.47Å
587	R	90.9	Very high	93.1	Very high	51 Å²	51	35.7 Å²	35.7	19%	0.192	17%	0.174	C	C	.	.	H	α-helix	trans	-105	-3.1	176.2	71.6	-174.3	-55.4	-172	1.1	113.7	F583 H584 L585 D747	F583-R587 WeakPolarHBondContact O-CG 3.47Å; H584-R587 VanDerWaalsContact O-CG 3.3Å; H584-R587 WeakPolarHBondContact O-CG 3.47Å; H584-R587 PolarHBondContact O-N 3.07Å; L585-R587 PolarHBondContact O-N 3.19Å; R587-D747 IonicContact CZ-OD2 3.05Å; R587-D747 IonicContact NH2-OD2 3.43Å; R587-D747 PolarHBondContact NH2-OD2 2.62Å
588	S	92.8	Very high	93.2	Very high	8 Å²	8	32.6 Å²	32.6	6%	0.056	16%	0.158	C	C	.	.	S	Bend	trans	-68.3	156.9	-180	73.7	0	0	0	0	111.6	H584 L585 F590 L591 Q592	H584-S588 WeakPolarHBondContact O-CB 3.3Å; H584-S588 PolarHBondContact O-N 2.75Å; L585-S588 VanDerWaalsContact O-CB 3.28Å; L585-S588 WeakPolarHBondContact O-CB 3.22Å; L585-S588 PolarHBondContact O-N 3.26Å; L585-S588 VanDerWaalsContact O-N 3.08Å; L585-S588 PolarHBondContact O-OG 2.88Å; S588-F590 PolarHBondContact O-N 3.41Å; S588-F590 VanDerWaalsContact OG-CD2 3.23Å; S588-F590 WeakPolarHBondContact OG-CD2 3.39Å; S588-F590 PolarHBondContact OG-N 3.38Å; S588-L591 PolarHBondContact O-N 3.48Å; S588-Q592 PolarHBondContact O-N 2.99Å
589	P	91.8	Very high	93.2	Very high	13 Å²	13	32.6 Å²	32.6	8%	0.084	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-8.3	175.6	28.2	-36.2	0	0	0	113.6	Q592 Y604	P589-Q592 WeakPolarHBondContact CA-O 3.41Å; P589-Y604 HydrophobicContact CB-CD2 3.95Å; P589-Y604 HydrophobicContact CB-CE2 4.23Å; P589-Y604 HydrophobicContact CG-CD2 4.2Å
590	F	94.4	Very high	93.2	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-38	175.6	-53.1	-60.4	0	0	0	112	V532 S588 Y604 R605 F608 M619 F655	V532-F590 HydrophobicContact CG2-CB 3.85Å; S588-F590 PolarHBondContact O-N 3.41Å; S588-F590 VanDerWaalsContact OG-CD2 3.23Å; S588-F590 WeakPolarHBondContact OG-CD2 3.39Å; S588-F590 PolarHBondContact OG-N 3.38Å; F590-Y604 WeakPolarHBondContact CE1-O 3.35Å; F590-R605 HydrophobicContact CD1-CG 4.48Å; F590-R605 VanDerWaalsContact O-CZ 3.31Å; F590-R605 PolarHBondContact O-NE 2.96Å; F590-R605 PolarHBondContact O-NH2 3.4Å; F590-F608 HydrophobicContact CD1-CB 4.08Å; F590-F608 HydrophobicContact CD1-CG 4.31Å; F590-F608 HydrophobicContact CE1-CB 3.69Å; F590-F608 HydrophobicContact CE1-CD2 4.28Å; F590-F608 HydrophobicContact CE1-CG 4.11Å; F590-F608 HydrophobicContact CE2-CD2 4.13Å; F590-F608 HydrophobicContact CZ-CB 4.2Å; F590-F608 AromaticContact CZ-CD2 4Å; F590-F608 HydrophobicContact CZ-CD2 4Å; F590-F608 HydrophobicContact CZ-CG 4.3Å; F590-M619 HydrophobicContact CE2-CB 4.01Å; F590-M619 WeakPolarHBondContact CE2-O 3.44Å; F590-M619 HydrophobicContact CZ-CB 3.74Å; F590-M619 HydrophobicContact CZ-CG 4.22Å; F590-M619 HydrophobicContact CZ-SD 4.18Å; F590-F655 HydrophobicContact CE1-CE2 4.26Å; F590-F655 HydrophobicContact CE1-CZ 4.4Å; F590-F655 HydrophobicContact CZ-CE2 4.02Å; F590-F655 HydrophobicContact CZ-CZ 4.5Å
591	L	92.7	Very high	93.3	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.047	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-34.7	-178.4	-60.3	-177.9	0	0	0	112.5	A535 V543 L544 L547 L585 S588	A535-L591 HydrophobicContact CB-CD2 4.11Å; V543-L591 HydrophobicContact CG1-CD2 3.98Å; L544-L591 HydrophobicContact CD2-CB 4.12Å; L544-L591 HydrophobicContact CD2-CD1 3.99Å; L547-L591 HydrophobicContact CD2-CD1 4.2Å; L585-L591 HydrophobicContact CD1-CD1 4.19Å; L585-L591 HydrophobicContact CG-CD1 3.99Å; S588-L591 PolarHBondContact O-N 3.48Å
592	Q	89.6	Confident	93.4	Very high	81 Å²	81	33.1 Å²	33.1	38%	0.379	16%	0.161	S	C	.	.			trans	-99.5	97.9	176.1	-65.4	-68.4	-5.5	0	0	110.2	R586 S588 P589 F594	R586-Q592 VanDerWaalsContact O-CG 3.23Å; R586-Q592 WeakPolarHBondContact O-CG 3.47Å; S588-Q592 PolarHBondContact O-N 2.99Å; P589-Q592 WeakPolarHBondContact CA-O 3.41Å; Q592-F594 VanDerWaalsContact C-N 3.28Å; Q592-F594 PolarHBondContact O-N 3.16Å
593	V	88.3	Confident	93.4	Very high	21 Å²	21	34 Å²	34	13%	0.127	16%	0.164	C	C	.	.			trans	-82.7	-3.7	-175.4	-60.5	0	0	0	0	114	W314 N596	W314-V593 HydrophobicContact CB-CG2 4.34Å; W314-V593 HydrophobicContact CD2-CB 4.02Å; W314-V593 HydrophobicContact CD2-CG2 3.74Å; W314-V593 HydrophobicContact CE3-CG2 4.24Å; W314-V593 HydrophobicContact CG-CB 4.09Å; W314-V593 HydrophobicContact CG-CG2 3.78Å; W314-V593 HydrophobicContact CZ2-CB 4.2Å; W314-V593 HydrophobicContact CZ2-CG1 3.94Å; V593-N596 PolarHBondContact O-N 3.47Å
594	F	81.1	Confident	93.6	Very high	156 Å²	156	35.4 Å²	35.4	68%	0.684	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	150.1	175.6	-168.8	-103.7	0	0	0	111	Q592 N596	Q592-F594 VanDerWaalsContact C-N 3.28Å; Q592-F594 PolarHBondContact O-N 3.16Å; F594-N596 PolarHBondContact O-N 3.15Å; F594-N596 VanDerWaalsContact O-N 3.11Å; F594-N596 PolarHBondContact O-ND2 2.85Å
595	N	86.8	Confident	93.7	Very high	142 Å²	142	35.7 Å²	35.7	76%	0.759	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	7.7	-173.4	-65.5	-28.2	0	0	0	116.6
596	N	93.1	Very high	93.8	Very high	41 Å²	41	35.8 Å²	35.8	22%	0.219	17%	0.171	C	C	.	.	S	Bend	trans	-120.7	153.8	173	-62.6	-88.8	0	0	0	109.1	V593 F594 E600 Y604	V593-N596 PolarHBondContact O-N 3.47Å; F594-N596 PolarHBondContact O-N 3.15Å; F594-N596 VanDerWaalsContact O-N 3.11Å; F594-N596 PolarHBondContact O-ND2 2.85Å; N596-E600 HydrophobicContact CB-CB 4.35Å; N596-Y604 WeakPolarHBondContact OD1-CE2 3.41Å
597	S	96.9	Very high	94.1	Very high	26 Å²	26	32.9 Å²	32.9	18%	0.182	16%	0.16	C	C	.	.			trans	-76.2	157.2	167.5	66.9	0	0	0	0	111.1	W314 D599 E600 S601	W314-S597 PolarHBondContact NE1-O 2.91Å; S597-D599 PolarHBondContact O-N 3.01Å; S597-E600 WeakPolarHBondContact CB-OE2 3.35Å; S597-E600 PolarHBondContact N-OE2 2.79Å; S597-E600 PolarHBondContact O-N 2.67Å; S597-E600 WeakPolarHBondContact OG-CB 3.27Å; S597-E600 VanDerWaalsContact OG-CG 3.25Å; S597-E600 WeakPolarHBondContact OG-CG 3.39Å; S597-E600 PolarHBondContact OG-N 3.09Å; S597-E600 PolarHBondContact OG-OE2 2.84Å; S597-S601 PolarHBondContact O-N 3.48Å; S597-S601 PolarHBondContact O-OG 3.13Å
598	P	97.4	Very high	94.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-54.2	-33	171.3	-28.5	32.5	0	0	0	115.4	W314 I317 Q355 L359 S602	W314-P598 HydrophobicContact CD2-CB 4.41Å; W314-P598 HydrophobicContact CD2-CG 4.05Å; W314-P598 HydrophobicContact CG-CG 4.04Å; W314-P598 HydrophobicContact CZ2-CB 4.23Å; I317-P598 HydrophobicContact CD1-CB 4.14Å; I317-P598 HydrophobicContact CD1-CG 3.82Å; Q355-P598 VanDerWaalsContact OE1-CD 3.27Å; L359-P598 HydrophobicContact CB-CB 4.16Å; L359-P598 HydrophobicContact CD2-CB 3.79Å; L359-P598 HydrophobicContact CG-CB 4.47Å; P598-S602 WeakPolarHBondContact O-CB 3.38Å; P598-S602 PolarHBondContact O-N 2.96Å; P598-S602 PolarHBondContact O-OG 2.73Å
599	D	98.4	Very high	94.6	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.011	15%	0.154	C	C	.	.	H	α-helix	trans	-71.8	-44.2	177.5	-77.9	10.4	0	0	0	111.8	R312 Q355 T356 G357 L358 L359 M374 S597 S602 Y603	R312-D599 IonicContact CZ-OD1 2.67Å; R312-D599 IonicContact NH1-OD1 3.69Å; R312-D599 IonicContact NH2-OD1 2.81Å; R312-D599 PolarHBondContact NH2-OD1 3.08Å; Q355-D599 HydrophobicContact CG-CB 4.38Å; T356-D599 PolarHBondContact N-OD2 3.26Å; G357-D599 PolarHBondContact N-OD2 2.97Å; L358-D599 HydrophobicContact CB-CB 3.97Å; L358-D599 HydrophobicContact CD1-CB 4.37Å; L358-D599 HydrophobicContact CG-CB 4.34Å; L358-D599 PolarHBondContact N-OD1 3.38Å; L358-D599 PolarHBondContact N-OD2 3.48Å; L358-D599 VanDerWaalsContact N-OD2 3.09Å; L359-D599 PolarHBondContact N-OD1 3.07Å; M374-D599 HydrophobicContact CE-CB 4Å; M374-D599 WeakPolarHBondContact CE-O 3.28Å; S597-D599 PolarHBondContact O-N 3.01Å; D599-S602 WeakPolarHBondContact O-CB 3.3Å; D599-S602 PolarHBondContact O-N 3.48Å; D599-Y603 WeakPolarHBondContact O-CB 3.22Å; D599-Y603 PolarHBondContact O-N 2.77Å
600	E	97.5	Very high	94.8	Very high	63 Å²	63	30.7 Å²	30.7	29%	0.294	15%	0.151	S	C	.	.	H	α-helix	trans	-61	-46.4	176.1	-75.3	167.1	125.7	0	0	111.5	M374 N596 S597 S602 Y603 Y604	M374-E600 HydrophobicContact CE-CG 4.4Å; M374-E600 HydrophobicContact SD-CG 4.01Å; N596-E600 HydrophobicContact CB-CB 4.35Å; S597-E600 WeakPolarHBondContact CB-OE2 3.35Å; S597-E600 PolarHBondContact N-OE2 2.79Å; S597-E600 PolarHBondContact O-N 2.67Å; S597-E600 WeakPolarHBondContact OG-CB 3.27Å; S597-E600 VanDerWaalsContact OG-CG 3.25Å; S597-E600 WeakPolarHBondContact OG-CG 3.39Å; S597-E600 PolarHBondContact OG-N 3.09Å; S597-E600 PolarHBondContact OG-OE2 2.84Å; E600-S602 PolarHBondContact O-N 3Å; E600-Y603 WeakPolarHBondContact O-CB 3.35Å; E600-Y603 PolarHBondContact O-N 3.33Å; E600-Y603 VanDerWaalsContact O-N 3.14Å; E600-Y604 HydrophobicContact CB-CD2 4.45Å; E600-Y604 HydrophobicContact CB-CE2 3.89Å; E600-Y604 WeakPolarHBondContact O-CD2 3.36Å; E600-Y604 VanDerWaalsContact O-CG 3.28Å; E600-Y604 PolarHBondContact O-N 3.21Å
601	S	96.6	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-38.5	175.6	-61.6	0	0	0	0	112	W314 S597 R605	W314-S601 PolarHBondContact NE1-OG 3.22Å; W314-S601 VanDerWaalsContact NE1-OG 3.07Å; S597-S601 PolarHBondContact O-N 3.48Å; S597-S601 PolarHBondContact O-OG 3.13Å; S601-R605 WeakPolarHBondContact O-CB 3.29Å; S601-R605 WeakPolarHBondContact O-CG 3.43Å; S601-R605 PolarHBondContact O-N 3.07Å; S601-R605 VanDerWaalsContact O-N 3.1Å
602	S	97.6	Very high	95.2	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-68.8	-39.3	177.2	-59.7	0	0	0	0	111.9	L359 P598 D599 E600 H606	L359-S602 WeakPolarHBondContact CA-OG 3.36Å; L359-S602 WeakPolarHBondContact CD1-OG 3.34Å; P598-S602 WeakPolarHBondContact O-CB 3.38Å; P598-S602 PolarHBondContact O-N 2.96Å; P598-S602 PolarHBondContact O-OG 2.73Å; D599-S602 WeakPolarHBondContact O-CB 3.3Å; D599-S602 PolarHBondContact O-N 3.48Å; E600-S602 PolarHBondContact O-N 3Å; S602-H606 WeakPolarHBondContact O-CB 3.42Å; S602-H606 PolarHBondContact O-N 2.87Å
603	Y	98.3	Very high	95.6	Very high	23 Å²	23	28.1 Å²	28.1	9%	0.09	14%	0.139	C	C	.	.	H	α-helix	trans	-63.8	-48.1	174.7	172.5	-99.8	0	0	0	112.4	I372 M374 D599 E600 R605 H606 H607 F655 P702	I372-Y603 HydrophobicContact CG2-CD2 4Å; I372-Y603 WeakPolarHBondContact O-CE2 3.41Å; M374-Y603 HydrophobicContact CB-CD2 3.83Å; M374-Y603 HydrophobicContact CB-CE2 3.94Å; M374-Y603 HydrophobicContact CB-CG 4.25Å; M374-Y603 HydrophobicContact CE-CG 4.16Å; D599-Y603 WeakPolarHBondContact O-CB 3.22Å; D599-Y603 PolarHBondContact O-N 2.77Å; E600-Y603 WeakPolarHBondContact O-CB 3.35Å; E600-Y603 PolarHBondContact O-N 3.33Å; E600-Y603 VanDerWaalsContact O-N 3.14Å; Y603-R605 PolarHBondContact O-N 2.88Å; Y603-H606 WeakPolarHBondContact O-CB 3.49Å; Y603-H606 PolarHBondContact O-N 3.05Å; Y603-H607 AromaticContact CD2-CD2 3.76Å; Y603-H607 AromaticContact CD2-NE2 3.68Å; Y603-H607 AromaticContact CE2-CD2 3.48Å; Y603-H607 VanDerWaalsContact CE2-CD2 3.48Å; Y603-H607 WeakPolarHBondContact CE2-CD2 3.42Å; Y603-H607 AromaticContact CE2-NE2 3.14Å; Y603-H607 WeakPolarHBondContact CE2-NE2 3.19Å; Y603-H607 AromaticContact CZ-CD2 3.65Å; Y603-H607 AromaticContact CZ-NE2 3.6Å; Y603-H607 PolarHBondContact O-CD2 3.01Å; Y603-H607 VanDerWaalsContact O-CD2 3.28Å; Y603-H607 PolarHBondContact O-N 3.27Å; Y603-F655 HydrophobicContact CD1-CD1 4.43Å; Y603-F655 HydrophobicContact CD1-CE1 4.44Å; Y603-F655 AromaticContact CE1-CD1 3.71Å; Y603-F655 HydrophobicContact CE1-CD1 3.71Å; Y603-F655 HydrophobicContact CE1-CE1 4Å; Y603-P702 WeakPolarHBondContact OH-CG 3.22Å
604	Y	97.7	Very high	96	Very high	30 Å²	30	30.6 Å²	30.6	12%	0.118	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-46.9	177.4	-62.7	-41.8	0	0	0	111.4	P589 F590 N596 E600 H606 H607 F608 F655	P589-Y604 HydrophobicContact CB-CD2 3.95Å; P589-Y604 HydrophobicContact CB-CE2 4.23Å; P589-Y604 HydrophobicContact CG-CD2 4.2Å; F590-Y604 WeakPolarHBondContact CE1-O 3.35Å; N596-Y604 WeakPolarHBondContact OD1-CE2 3.41Å; E600-Y604 HydrophobicContact CB-CD2 4.45Å; E600-Y604 HydrophobicContact CB-CE2 3.89Å; E600-Y604 WeakPolarHBondContact O-CD2 3.36Å; E600-Y604 VanDerWaalsContact O-CG 3.28Å; E600-Y604 PolarHBondContact O-N 3.21Å; Y604-H606 PolarHBondContact O-N 3.33Å; Y604-H607 PolarHBondContact O-N 2.92Å; Y604-F608 WeakPolarHBondContact O-CB 3.49Å; Y604-F608 PolarHBondContact O-N 2.97Å; Y604-F655 AromaticContact CD1-CD1 3.81Å; Y604-F655 HydrophobicContact CD1-CD1 3.81Å; Y604-F655 AromaticContact CD1-CD2 3.68Å; Y604-F655 HydrophobicContact CD1-CD2 3.68Å; Y604-F655 AromaticContact CD1-CE1 3.74Å; Y604-F655 HydrophobicContact CD1-CE1 3.74Å; Y604-F655 AromaticContact CD1-CE2 3.61Å; Y604-F655 HydrophobicContact CD1-CE2 3.61Å; Y604-F655 AromaticContact CD1-CG 3.78Å; Y604-F655 HydrophobicContact CD1-CG 3.78Å; Y604-F655 AromaticContact CD1-CZ 3.65Å; Y604-F655 HydrophobicContact CD1-CZ 3.65Å; Y604-F655 HydrophobicContact CE1-CB 4.2Å; Y604-F655 HydrophobicContact CE1-CD1 4.07Å; Y604-F655 AromaticContact CE1-CD2 3.92Å; Y604-F655 HydrophobicContact CE1-CD2 3.92Å; Y604-F655 HydrophobicContact CE1-CE1 4.46Å; Y604-F655 HydrophobicContact CE1-CE2 4.32Å; Y604-F655 AromaticContact CE1-CG 3.78Å; Y604-F655 HydrophobicContact CE1-CG 3.78Å; Y604-F655 HydrophobicContact CG-CE2 4.33Å; Y604-F655 HydrophobicContact CG-CZ 4.36Å
605	R	97.9	Very high	96.7	Very high	15 Å²	15	25.1 Å²	25.1	6%	0.057	13%	0.131	C	C	.	.	H	α-helix	trans	-63.5	-40	178.3	-70.1	174	179.7	-176	2.3	112.2	V532 A535 F590 S601 Y603 H607 F608 V609	V532-R605 HydrophobicContact CG1-CB 4Å; V532-R605 HydrophobicContact CG1-CG 3.76Å; A535-R605 PolarHBondContact O-NH1 2.8Å; A535-R605 VanDerWaalsContact O-NH1 3.16Å; F590-R605 HydrophobicContact CD1-CG 4.48Å; F590-R605 VanDerWaalsContact O-CZ 3.31Å; F590-R605 PolarHBondContact O-NE 2.96Å; F590-R605 PolarHBondContact O-NH2 3.4Å; S601-R605 WeakPolarHBondContact O-CB 3.29Å; S601-R605 WeakPolarHBondContact O-CG 3.43Å; S601-R605 PolarHBondContact O-N 3.07Å; S601-R605 VanDerWaalsContact O-N 3.1Å; Y603-R605 PolarHBondContact O-N 2.88Å; R605-H607 PolarHBondContact O-N 3.39Å; R605-F608 PolarHBondContact O-N 3.32Å; R605-V609 WeakPolarHBondContact O-CG2 3.3Å; R605-V609 PolarHBondContact O-N 2.98Å; R605-V609 VanDerWaalsContact O-N 3.13Å
606	H	98.1	Very high	97.3	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-55.7	-49.6	176.9	172	82.9	0	0	0	112	N366 G370 I372 S602 Y603 Y604 R610	N366-H606 PolarHBondContact OD1-ND1 3.45Å; G370-H606 PolarHBondContact O-CE1 3.16Å; I372-H606 HydrophobicContact CD1-CB 3.95Å; I372-H606 PolarHBondContact N-NE2 3.06Å; S602-H606 WeakPolarHBondContact O-CB 3.42Å; S602-H606 PolarHBondContact O-N 2.87Å; Y603-H606 WeakPolarHBondContact O-CB 3.49Å; Y603-H606 PolarHBondContact O-N 3.05Å; Y604-H606 PolarHBondContact O-N 3.33Å; H606-R610 PolarHBondContact CE1-NH1 3.28Å; H606-R610 VanDerWaalsContact CE1-NH1 3.27Å; H606-R610 PolarHBondContact NE2-NH1 2.9Å; H606-R610 VanDerWaalsContact NE2-NH1 3.14Å
607	H	98.1	Very high	97.5	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-69.6	-41.7	179.5	-73.3	-65.5	0	0	0	111.4	I372 Y603 Y604 R605 V609 R610 Q611 M619 F654 F655 P702	I372-H607 PolarHBondContact O-CE1 2.95Å; I372-H607 PolarHBondContact O-NE2 3.12Å; Y603-H607 AromaticContact CD2-CD2 3.76Å; Y603-H607 AromaticContact CD2-NE2 3.68Å; Y603-H607 AromaticContact CE2-CD2 3.48Å; Y603-H607 VanDerWaalsContact CE2-CD2 3.48Å; Y603-H607 WeakPolarHBondContact CE2-CD2 3.42Å; Y603-H607 AromaticContact CE2-NE2 3.14Å; Y603-H607 WeakPolarHBondContact CE2-NE2 3.19Å; Y603-H607 AromaticContact CZ-CD2 3.65Å; Y603-H607 AromaticContact CZ-NE2 3.6Å; Y603-H607 PolarHBondContact O-CD2 3.01Å; Y603-H607 VanDerWaalsContact O-CD2 3.28Å; Y603-H607 PolarHBondContact O-N 3.27Å; Y604-H607 PolarHBondContact O-N 2.92Å; R605-H607 PolarHBondContact O-N 3.39Å; H607-V609 PolarHBondContact O-N 3.28Å; H607-R610 WeakPolarHBondContact O-CG 3.41Å; H607-R610 PolarHBondContact O-N 3.43Å; H607-Q611 WeakPolarHBondContact O-CG 3.25Å; H607-Q611 PolarHBondContact O-N 3.37Å; H607-M619 HydrophobicContact CB-CE 3.84Å; H607-F654 HydrophobicContact CB-CE1 4.3Å; H607-F655 HydrophobicContact CB-CE1 3.83Å; H607-F655 HydrophobicContact CB-CZ 4.14Å; H607-P702 VanDerWaalsContact CE1-CD 3.42Å; H607-P702 WeakPolarHBondContact CE1-CD 3.43Å
608	F	98.2	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.7	-43.6	-179.9	-177.2	-101	0	0	0	113.7	V525 A528 R529 V532 F590 Y604 R605 R610 M619 I620	V525-F608 HydrophobicContact CG1-CZ 4.3Å; A528-F608 HydrophobicContact CB-CE1 3.75Å; A528-F608 HydrophobicContact CB-CZ 3.42Å; A528-F608 VanDerWaalsContact CB-CZ 3.42Å; R529-F608 HydrophobicContact CG-CD1 4.49Å; R529-F608 HydrophobicContact CG-CE1 3.85Å; V532-F608 HydrophobicContact CG2-CD1 3.98Å; V532-F608 HydrophobicContact CG2-CE1 4.19Å; F590-F608 HydrophobicContact CD1-CB 4.08Å; F590-F608 HydrophobicContact CD1-CG 4.31Å; F590-F608 HydrophobicContact CE1-CB 3.69Å; F590-F608 HydrophobicContact CE1-CD2 4.28Å; F590-F608 HydrophobicContact CE1-CG 4.11Å; F590-F608 HydrophobicContact CE2-CD2 4.13Å; F590-F608 HydrophobicContact CZ-CB 4.2Å; F590-F608 AromaticContact CZ-CD2 4Å; F590-F608 HydrophobicContact CZ-CD2 4Å; F590-F608 HydrophobicContact CZ-CG 4.3Å; Y604-F608 WeakPolarHBondContact O-CB 3.49Å; Y604-F608 PolarHBondContact O-N 2.97Å; R605-F608 PolarHBondContact O-N 3.32Å; F608-R610 VanDerWaalsContact C-N 3.27Å; F608-R610 PolarHBondContact O-N 2.67Å; F608-M619 VanDerWaalsContact CA-SD 3.57Å; F608-M619 HydrophobicContact CB-SD 3.87Å; F608-M619 HydrophobicContact CD2-CB 4.13Å; F608-M619 HydrophobicContact CD2-SD 3.68Å; F608-M619 HydrophobicContact CG-SD 4.28Å; F608-I620 HydrophobicContact CE2-CD1 3.84Å; F608-I620 HydrophobicContact CE2-CG1 3.75Å; F608-I620 HydrophobicContact CZ-CD1 3.92Å; F608-I620 HydrophobicContact CZ-CG1 4.21Å
609	V	96.4	Very high	97.5	Very high	22 Å²	22	17.4 Å²	17.4	13%	0.133	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-8.6	-175.8	-59.6	0	0	0	0	114.5	I421 G422 R529 V532 R605 H607	I421-V609 HydrophobicContact CG2-CG1 4.48Å; G422-V609 WeakPolarHBondContact CA-O 3.48Å; R529-V609 VanDerWaalsContact CZ-O 3.27Å; R529-V609 PolarHBondContact NH1-O 3.33Å; R529-V609 PolarHBondContact NH2-O 3.19Å; V532-V609 HydrophobicContact CG1-CG1 4.02Å; R605-V609 WeakPolarHBondContact O-CG2 3.3Å; R605-V609 PolarHBondContact O-N 2.98Å; R605-V609 VanDerWaalsContact O-N 3.13Å; H607-V609 PolarHBondContact O-N 3.28Å
610	R	96.5	Very high	97.5	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.015	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-17.1	179.3	75.7	-178.2	-56.6	134	3	114.4	G369 G370 P423 D453 S455 T457 H606 H607 F608	G369-R610 PolarHBondContact O-NH2 3.44Å; G370-R610 PolarHBondContact O-NH1 3.27Å; P423-R610 HydrophobicContact CG-CB 4.03Å; D453-R610 IonicContact OD2-NH2 3.98Å; D453-R610 PolarHBondContact OD2-NH2 2.93Å; S455-R610 VanDerWaalsContact O-O 3.12Å; T457-R610 PolarHBondContact N-O 3.05Å; H606-R610 PolarHBondContact CE1-NH1 3.28Å; H606-R610 VanDerWaalsContact CE1-NH1 3.27Å; H606-R610 PolarHBondContact NE2-NH1 2.9Å; H606-R610 VanDerWaalsContact NE2-NH1 3.14Å; H607-R610 WeakPolarHBondContact O-CG 3.41Å; H607-R610 PolarHBondContact O-N 3.43Å; F608-R610 VanDerWaalsContact C-N 3.27Å; F608-R610 PolarHBondContact O-N 2.67Å
611	Q	97.8	Very high	97.4	Very high	9 Å²	9	16.2 Å²	16.2	4%	0.042	8%	0.082	C	C	.	.	S	Bend	trans	-81.7	157.9	-173.1	-75.4	-67.2	-16.8	0	0	113.4	T457 R529 H607 Q615 S616 M619 F654 F701	T457-Q611 WeakPolarHBondContact CB-O 3.18Å; R529-Q611 PolarHBondContact NH2-O 3.01Å; H607-Q611 WeakPolarHBondContact O-CG 3.25Å; H607-Q611 PolarHBondContact O-N 3.37Å; Q611-Q615 HydrophobicContact CB-CB 4.04Å; Q611-Q615 HydrophobicContact CG-CB 4.29Å; Q611-S616 PolarHBondContact O-OG 3.2Å; Q611-M619 HydrophobicContact CB-CE 4.26Å; Q611-M619 HydrophobicContact CG-CE 3.64Å; Q611-F654 HydrophobicContact CG-CE2 4.21Å; Q611-F654 HydrophobicContact CG-CZ 4.09Å; Q611-F701 PolarHBondContact NE2-O 2.87Å
612	D	96.9	Very high	97.3	Very high	25 Å²	25	16.7 Å²	16.7	13%	0.134	9%	0.085	C	C	.	.			trans	-69.2	179.7	174.7	71.3	21.2	0	0	0	112.7	T457 T614 Q615 S616	T457-D612 WeakPolarHBondContact OG1-CA 3.45Å; D612-T614 PolarHBondContact OD1-N 3.48Å; D612-T614 VanDerWaalsContact OD1-N 3.16Å; D612-Q615 WeakPolarHBondContact OD1-CG 3.35Å; D612-Q615 PolarHBondContact OD1-N 2.97Å; D612-S616 WeakPolarHBondContact O-CB 3.23Å; D612-S616 PolarHBondContact O-N 3.36Å; D612-S616 PolarHBondContact O-OG 3.47Å
613	L	97.6	Very high	97.2	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-52.8	-178.7	177.1	73.3	0	0	0	111.8	R18 L41 E521 A522 V525 Q615 S616 L617	R18-L613 HydrophobicContact CG-CD2 4.21Å; L41-L613 HydrophobicContact CD1-CB 3.88Å; L41-L613 HydrophobicContact CD1-CD1 3.78Å; L41-L613 HydrophobicContact CD1-CG 4.43Å; E521-L613 HydrophobicContact CB-CD1 4.01Å; E521-L613 HydrophobicContact CB-CD2 4.14Å; A522-L613 HydrophobicContact CB-CD1 4.46Å; V525-L613 HydrophobicContact CB-CD1 4.2Å; V525-L613 HydrophobicContact CG2-CD1 3.64Å; L613-Q615 PolarHBondContact O-N 3.27Å; L613-S616 WeakPolarHBondContact O-CB 3.35Å; L613-S616 PolarHBondContact O-N 3.43Å; L613-S616 VanDerWaalsContact O-N 3.14Å; L613-L617 HydrophobicContact CD1-CD1 4.23Å; L613-L617 HydrophobicContact CD1-CG 4.18Å; L613-L617 HydrophobicContact CG-CD1 4.08Å; L613-L617 HydrophobicContact CG-CG 4.35Å; L613-L617 WeakPolarHBondContact O-CG 3.44Å; L613-L617 PolarHBondContact O-N 3.16Å
614	T	96.6	Very high	97.1	Very high	74 Å²	74	18.3 Å²	18.3	45%	0.454	10%	0.095	S	C	.	.	H	α-helix	trans	-58.8	-49.4	-173	-55.6	0	0	0	0	110.8	D612 S616 L617 I618	D612-T614 PolarHBondContact OD1-N 3.48Å; D612-T614 VanDerWaalsContact OD1-N 3.16Å; T614-S616 VanDerWaalsContact C-N 3.33Å; T614-S616 PolarHBondContact O-N 2.99Å; T614-L617 PolarHBondContact O-N 3.08Å; T614-I618 HydrophobicContact CG2-CD1 4.41Å; T614-I618 WeakPolarHBondContact O-CG1 3.24Å; T614-I618 PolarHBondContact O-N 2.94Å
615	Q	97.4	Very high	97.1	Very high	41 Å²	41	20.9 Å²	20.9	19%	0.192	11%	0.105	C	C	.	.	H	α-helix	trans	-67.1	-36	178.5	-60	-48.3	-65.1	0	0	111.8	Q611 D612 L613 L617 I618 M619 F654	Q611-Q615 HydrophobicContact CB-CB 4.04Å; Q611-Q615 HydrophobicContact CG-CB 4.29Å; D612-Q615 WeakPolarHBondContact OD1-CG 3.35Å; D612-Q615 PolarHBondContact OD1-N 2.97Å; L613-Q615 PolarHBondContact O-N 3.27Å; Q615-L617 PolarHBondContact O-N 3.25Å; Q615-I618 PolarHBondContact O-N 3.43Å; Q615-M619 WeakPolarHBondContact O-CG 3.49Å; Q615-M619 PolarHBondContact O-N 3.21Å; Q615-F654 HydrophobicContact CB-CD2 3.82Å; Q615-F654 HydrophobicContact CB-CE2 3.77Å; Q615-F654 HydrophobicContact CG-CD2 4.26Å; Q615-F654 HydrophobicContact CG-CE2 3.99Å
616	S	98.3	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.7	-35.3	176.4	-62.5	0	0	0	0	113	Q611 D612 L613 T614 M619 I620	Q611-S616 PolarHBondContact O-OG 3.2Å; D612-S616 WeakPolarHBondContact O-CB 3.23Å; D612-S616 PolarHBondContact O-N 3.36Å; D612-S616 PolarHBondContact O-OG 3.47Å; L613-S616 WeakPolarHBondContact O-CB 3.35Å; L613-S616 PolarHBondContact O-N 3.43Å; L613-S616 VanDerWaalsContact O-N 3.14Å; T614-S616 VanDerWaalsContact C-N 3.33Å; T614-S616 PolarHBondContact O-N 2.99Å; S616-M619 WeakPolarHBondContact O-CB 3.27Å; S616-M619 PolarHBondContact O-N 3.42Å; S616-I620 WeakPolarHBondContact O-CG1 3.46Å; S616-I620 PolarHBondContact O-N 3.03Å; S616-I620 VanDerWaalsContact O-N 3.09Å
617	L	97.9	Very high	97	Very high	22 Å²	22	20.4 Å²	20.4	12%	0.115	10%	0.103	C	C	.	.	H	α-helix	trans	-67.7	-45	175	-70.9	174.5	0	0	0	111.3	E521 V525 F581 L613 T614 Q615 M619 I620 Q621	E521-L617 HydrophobicContact CB-CD1 3.88Å; E521-L617 HydrophobicContact CB-CD2 4.32Å; E521-L617 HydrophobicContact CG-CD1 3.75Å; V525-L617 HydrophobicContact CG2-CD2 3.9Å; V525-L617 HydrophobicContact CG2-CG 4.2Å; F581-L617 HydrophobicContact CD1-CD2 4.33Å; F581-L617 HydrophobicContact CE1-CD2 4Å; F581-L617 HydrophobicContact CE2-CD2 4.5Å; F581-L617 HydrophobicContact CZ-CD2 4.09Å; L613-L617 HydrophobicContact CD1-CD1 4.23Å; L613-L617 HydrophobicContact CD1-CG 4.18Å; L613-L617 HydrophobicContact CG-CD1 4.08Å; L613-L617 HydrophobicContact CG-CG 4.35Å; L613-L617 WeakPolarHBondContact O-CG 3.44Å; L613-L617 PolarHBondContact O-N 3.16Å; T614-L617 PolarHBondContact O-N 3.08Å; Q615-L617 PolarHBondContact O-N 3.25Å; L617-M619 PolarHBondContact O-N 2.85Å; L617-I620 PolarHBondContact O-N 3.49Å; L617-Q621 CarbonylContact O-C 3.56Å; L617-Q621 PolarHBondContact O-N 3.42Å
618	I	97.2	Very high	96.9	Very high	15 Å²	15	21 Å²	21	8%	0.077	11%	0.107	C	C	.	.	H	α-helix	trans	-57.4	-39	175.7	-64.3	167.9	0	0	0	110.7	T614 Q615 Q621 P622 I623 D652 F654	T614-I618 HydrophobicContact CG2-CD1 4.41Å; T614-I618 WeakPolarHBondContact O-CG1 3.24Å; T614-I618 PolarHBondContact O-N 2.94Å; Q615-I618 PolarHBondContact O-N 3.43Å; I618-Q621 CarbonylContact O-C 3.56Å; I618-P622 WeakPolarHBondContact O-CA 3.49Å; I618-I623 HydrophobicContact CD1-CD1 4.35Å; I618-I623 HydrophobicContact CG1-CD1 4.37Å; I618-I623 HydrophobicContact CG1-CG2 4.34Å; I618-D652 WeakPolarHBondContact CG2-O 3.44Å; I618-F654 HydrophobicContact CG2-CB 4.06Å
619	M	97.8	Very high	96.7	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.049	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-42.5	175	-80.3	-177	-168.9	0	0	113.5	F590 H607 F608 Q611 Q615 S616 L617 F654 F655	F590-M619 HydrophobicContact CE2-CB 4.01Å; F590-M619 WeakPolarHBondContact CE2-O 3.44Å; F590-M619 HydrophobicContact CZ-CB 3.74Å; F590-M619 HydrophobicContact CZ-CG 4.22Å; F590-M619 HydrophobicContact CZ-SD 4.18Å; H607-M619 HydrophobicContact CB-CE 3.84Å; F608-M619 VanDerWaalsContact CA-SD 3.57Å; F608-M619 HydrophobicContact CB-SD 3.87Å; F608-M619 HydrophobicContact CD2-CB 4.13Å; F608-M619 HydrophobicContact CD2-SD 3.68Å; F608-M619 HydrophobicContact CG-SD 4.28Å; Q611-M619 HydrophobicContact CB-CE 4.26Å; Q611-M619 HydrophobicContact CG-CE 3.64Å; Q615-M619 WeakPolarHBondContact O-CG 3.49Å; Q615-M619 PolarHBondContact O-N 3.21Å; S616-M619 WeakPolarHBondContact O-CB 3.27Å; S616-M619 PolarHBondContact O-N 3.42Å; L617-M619 PolarHBondContact O-N 2.85Å; M619-F654 HydrophobicContact CE-CB 4.35Å; M619-F654 HydrophobicContact CE-CD1 3.2Å; M619-F654 HydrophobicContact CE-CD2 3.73Å; M619-F654 HydrophobicContact CE-CE1 3.19Å; M619-F654 HydrophobicContact CE-CE2 3.72Å; M619-F654 HydrophobicContact CE-CG 3.48Å; M619-F654 VanDerWaalsContact CE-CG 3.48Å; M619-F654 HydrophobicContact CE-CZ 3.46Å; M619-F654 VanDerWaalsContact CE-CZ 3.46Å; M619-F654 HydrophobicContact CG-CB 3.53Å; M619-F654 HydrophobicContact CG-CD1 4.05Å; M619-F654 HydrophobicContact CG-CD2 4.36Å; M619-F654 HydrophobicContact CG-CG 3.73Å; M619-F654 HydrophobicContact SD-CD1 4.42Å; M619-F654 HydrophobicContact SD-CG 4.47Å; M619-F655 HydrophobicContact CE-CE1 4.29Å; M619-F655 HydrophobicContact CE-CE2 4.43Å; M619-F655 HydrophobicContact CE-CZ 3.81Å; M619-F655 HydrophobicContact CG-CE2 3.87Å; M619-F655 HydrophobicContact CG-CZ 4.16Å; M619-F655 HydrophobicContact SD-CE2 4.22Å; M619-F655 HydrophobicContact SD-CZ 3.95Å
620	I	96.6	Very high	96.3	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-71.9	-52.2	179.8	-70.4	168.8	0	0	0	110.2	V525 A528 H584 L585 F608 S616 L617	V525-I620 HydrophobicContact CG2-CD1 4.19Å; A528-I620 HydrophobicContact CB-CD1 3.84Å; H584-I620 HydrophobicContact CB-CG2 4.29Å; H584-I620 WeakPolarHBondContact CB-O 3.43Å; L585-I620 HydrophobicContact CB-CG2 3.96Å; L585-I620 HydrophobicContact CD1-CG1 4.35Å; F608-I620 HydrophobicContact CE2-CD1 3.84Å; F608-I620 HydrophobicContact CE2-CG1 3.75Å; F608-I620 HydrophobicContact CZ-CD1 3.92Å; F608-I620 HydrophobicContact CZ-CG1 4.21Å; S616-I620 WeakPolarHBondContact O-CG1 3.46Å; S616-I620 PolarHBondContact O-N 3.03Å; S616-I620 VanDerWaalsContact O-N 3.09Å; L617-I620 PolarHBondContact O-N 3.49Å
621	Q	95.6	Very high	95.9	Very high	37 Å²	37	33.5 Å²	33.5	17%	0.173	17%	0.174	C	C	.	.	S	Bend	trans	-126.8	98	-178.1	179.8	176.2	-24	0	0	108.3	Q580 F581 H584 L617 I618	Q580-Q621 VanDerWaalsContact NE2-NE2 3.13Å; F581-Q621 HydrophobicContact CD1-CB 4.47Å; H584-Q621 HydrophobicContact CB-CB 4.14Å; H584-Q621 VanDerWaalsContact CD2-CD 3.5Å; H584-Q621 PolarHBondContact CD2-OE1 3.5Å; L617-Q621 CarbonylContact O-C 3.56Å; L617-Q621 PolarHBondContact O-N 3.42Å; I618-Q621 CarbonylContact O-C 3.56Å
622	P	95.9	Very high	95.7	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.065	21%	0.205	C	C	.	.			trans	-52.1	141.8	175	-30	36.7	0	0	0	112.4	I618 L638 M651 D652 T653	I618-P622 WeakPolarHBondContact O-CA 3.49Å; P622-L638 HydrophobicContact CB-CD1 4.29Å; P622-L638 HydrophobicContact CB-CD2 4.03Å; P622-L638 HydrophobicContact CG-CD2 4.19Å; P622-M651 HydrophobicContact CB-CG 4.22Å; P622-M651 HydrophobicContact CB-SD 4.43Å; P622-D652 VanDerWaalsContact CA-O 3.29Å; P622-D652 WeakPolarHBondContact CA-O 3.34Å; P622-D652 WeakPolarHBondContact CB-O 3.5Å; P622-T653 HydrophobicContact CB-CG2 3.9Å; P622-T653 HydrophobicContact CG-CG2 3.88Å
623	I	94.4	Very high	95.5	Very high	56 Å²	56	40 Å²	40	29%	0.287	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	144.1	174.5	62.3	-176.7	0	0	0	109.3	I618 Y625 M651 D652	I618-I623 HydrophobicContact CD1-CD1 4.35Å; I618-I623 HydrophobicContact CG1-CD1 4.37Å; I618-I623 HydrophobicContact CG1-CG2 4.34Å; I623-Y625 HydrophobicContact CD1-CE2 3.83Å; I623-Y625 HydrophobicContact CG1-CE2 4.23Å; I623-M651 WeakPolarHBondContact O-CA 3.38Å; I623-D652 HydrophobicContact CD1-CB 4.05Å; I623-D652 HydrophobicContact CG1-CB 3.66Å; I623-D652 PolarHBondContact N-O 3.07Å; I623-D652 VanDerWaalsContact N-O 3.08Å; I623-D652 PolarHBondContact O-N 2.87Å
624	L	96.5	Very high	95.4	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	118.1	-179	-170.2	66	0	0	0	108.8	P635 V636 L638 L649 M651 L719	L624-P635 WeakPolarHBondContact O-CA 3.47Å; L624-V636 HydrophobicContact CB-CG2 4.08Å; L624-V636 HydrophobicContact CD2-CG2 3.82Å; L624-V636 HydrophobicContact CG-CG2 3.73Å; L624-V636 WeakPolarHBondContact O-CG2 3.35Å; L624-V636 PolarHBondContact O-N 2.85Å; L624-L638 HydrophobicContact CB-CD1 4.11Å; L624-L638 HydrophobicContact CD2-CD1 4.36Å; L624-L649 HydrophobicContact CD1-CB 3.96Å; L624-L649 HydrophobicContact CD1-CD1 4.38Å; L624-L649 HydrophobicContact CD2-CD1 4.32Å; L624-L649 HydrophobicContact CG-CD2 4.45Å; L624-M651 HydrophobicContact CD1-CB 3.65Å; L624-M651 HydrophobicContact CD1-CG 4.16Å; L624-L719 HydrophobicContact CD1-CD1 3.95Å
625	Y	97.1	Very high	95.3	Very high	84 Å²	84	45.4 Å²	45.4	33%	0.329	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	143.1	173.2	-73.3	-86.1	0	0	0	110.6	I623 E634 P635 L649 L650	I623-Y625 HydrophobicContact CD1-CE2 3.83Å; I623-Y625 HydrophobicContact CG1-CE2 4.23Å; Y625-E634 WeakPolarHBondContact CA-O 3.31Å; Y625-P635 HydrophobicContact CD1-CB 4.45Å; Y625-P635 HydrophobicContact CE1-CB 4.21Å; Y625-L649 CarbonylContact O-C 3.55Å; Y625-L649 WeakPolarHBondContact O-CA 3.4Å; Y625-L650 PolarHBondContact N-O 2.94Å; Y625-L650 PolarHBondContact O-N 3.01Å
626	S	97.3	Very high	95.1	Very high	1 Å²	1	45 Å²	45	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.8	177.6	161.5	0	0	0	0	110.3	P633 E634 V636 R647	S626-P633 WeakPolarHBondContact O-CA 3.31Å; S626-E634 PolarHBondContact N-O 3.4Å; S626-E634 PolarHBondContact O-N 3Å; S626-V636 VanDerWaalsContact CB-CG1 3.45Å; S626-R647 WeakPolarHBondContact OG-CD 3.33Å; S626-R647 PolarHBondContact OG-NH1 3.16Å
627	Y	97.6	Very high	94.7	Very high	6 Å²	6	50.4 Å²	50.4	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.4	177.3	-57	-108.9	0	0	0	108.2	P633 R647 I648 L650 A688 P689 D692	Y627-P633 HydrophobicContact CD1-CB 3.89Å; Y627-P633 HydrophobicContact CD1-CG 3.55Å; Y627-P633 HydrophobicContact CE1-CB 3.58Å; Y627-P633 HydrophobicContact CE1-CG 3.36Å; Y627-P633 HydrophobicContact CG-CB 4.5Å; Y627-R647 WeakPolarHBondContact O-CA 3.44Å; Y627-I648 PolarHBondContact N-O 3.06Å; Y627-I648 PolarHBondContact O-N 3.05Å; Y627-L650 HydrophobicContact CE2-CB 3.67Å; Y627-A688 HydrophobicContact CD1-CB 3.86Å; Y627-A688 HydrophobicContact CE1-CB 4.04Å; Y627-P689 HydrophobicContact CD1-CB 4.3Å; Y627-P689 HydrophobicContact CD2-CB 4.05Å; Y627-P689 HydrophobicContact CE1-CB 4.07Å; Y627-P689 HydrophobicContact CE2-CB 3.84Å; Y627-P689 HydrophobicContact CG-CB 4.32Å; Y627-D692 VanDerWaalsContact CE1-OD2 3.31Å; Y627-D692 WeakPolarHBondContact CE1-OD2 3.2Å; Y627-D692 VanDerWaalsContact CZ-OD2 3.32Å; Y627-D692 PolarHBondContact OH-OD2 2.94Å
628	S	95.7	Very high	94.3	Very high	14 Å²	14	49.8 Å²	49.8	10%	0.098	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	172.1	179.4	75.8	0	0	0	0	110.2	H630	S628-H630 PolarHBondContact O-N 3.15Å; S628-H630 PolarHBondContact OG-N 3.08Å; S628-H630 VanDerWaalsContact OG-N 3.16Å
629	F	93.1	Very high	94	Very high	89 Å²	89	49.9 Å²	49.9	39%	0.39	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.7	171.7	-68.9	-71	0	0	0	113.7	W668 N681 F682 L685	F629-W668 AromaticContact CE2-CZ3 3.91Å; F629-W668 HydrophobicContact CE2-CZ3 3.91Å; F629-N681 HydrophobicContact CE1-CB 4.29Å; F629-F682 HydrophobicContact CE2-CD2 4.4Å; F629-F682 HydrophobicContact CZ-CB 4.1Å; F629-F682 AromaticContact CZ-CD2 3.81Å; F629-F682 HydrophobicContact CZ-CD2 3.81Å; F629-F682 HydrophobicContact CZ-CG 4.42Å; F629-L685 HydrophobicContact CD1-CD2 4.28Å; F629-L685 HydrophobicContact CD2-CD2 3.92Å; F629-L685 HydrophobicContact CE1-CB 4.34Å; F629-L685 HydrophobicContact CE1-CD2 3.96Å; F629-L685 HydrophobicContact CE2-CD2 3.57Å; F629-L685 HydrophobicContact CG-CD2 4.28Å; F629-L685 HydrophobicContact CZ-CD2 3.62Å
630	H	89.6	Confident	93.4	Very high	160 Å²	160	49.4 Å²	49.4	74%	0.741	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	23.8	-168.2	-61.1	-52.8	0	0	0	114.1	S628	S628-H630 PolarHBondContact O-N 3.15Å; S628-H630 PolarHBondContact OG-N 3.08Å; S628-H630 VanDerWaalsContact OG-N 3.16Å
631	G	87.1	Confident	93	Very high	40 Å²	40	50.8 Å²	50.8	41%	0.412	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	174.3	176.6	0	0	0	0	0	112.7
632	P	92.9	Very high	92.9	Very high	108 Å²	108	49.9 Å²	49.9	70%	0.701	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	167.5	169.3	31.9	-35.5	0	0	0	111.1	E634	P632-E634 PolarHBondContact O-N 3.31Å
633	P	94.4	Very high	92.7	Very high	61 Å²	61	49.8 Å²	49.8	40%	0.396	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	127.8	173	-23.5	34	0	0	0	111.2	S626 Y627	S626-P633 WeakPolarHBondContact O-CA 3.31Å; Y627-P633 HydrophobicContact CD1-CB 3.89Å; Y627-P633 HydrophobicContact CD1-CG 3.55Å; Y627-P633 HydrophobicContact CE1-CB 3.58Å; Y627-P633 HydrophobicContact CE1-CG 3.36Å; Y627-P633 HydrophobicContact CG-CB 4.5Å
634	E	94.2	Very high	92.7	Very high	90 Å²	90	48.7 Å²	48.7	42%	0.421	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.3	-178.3	65.5	-179.7	175.5	0	0	111.3	Y625 S626 P632 V636 R647	Y625-E634 WeakPolarHBondContact CA-O 3.31Å; S626-E634 PolarHBondContact N-O 3.4Å; S626-E634 PolarHBondContact O-N 3Å; P632-E634 PolarHBondContact O-N 3.31Å; E634-V636 HydrophobicContact CG-CG1 4.15Å; E634-V636 PolarHBondContact O-N 2.89Å; E634-R647 IonicContact OE1-NH1 3.83Å; E634-R647 PolarHBondContact OE1-NH1 3.12Å; E634-R647 VanDerWaalsContact OE1-NH1 3.14Å
635	P	94.6	Very high	92.6	Very high	102 Å²	102	51 Å²	51	66%	0.662	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.5	170.9	29.2	-32.5	0	0	0	109.7	L624 Y625	L624-P635 WeakPolarHBondContact O-CA 3.47Å; Y625-P635 HydrophobicContact CD1-CB 4.45Å; Y625-P635 HydrophobicContact CE1-CB 4.21Å
636	V	93.3	Very high	92.5	Very high	33 Å²	33	49.9 Å²	49.9	20%	0.2	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	163.2	178.1	-68.1	0	0	0	0	110.8	L624 S626 E634 L649	L624-V636 HydrophobicContact CB-CG2 4.08Å; L624-V636 HydrophobicContact CD2-CG2 3.82Å; L624-V636 HydrophobicContact CG-CG2 3.73Å; L624-V636 WeakPolarHBondContact O-CG2 3.35Å; L624-V636 PolarHBondContact O-N 2.85Å; S626-V636 VanDerWaalsContact CB-CG1 3.45Å; E634-V636 HydrophobicContact CG-CG1 4.15Å; E634-V636 PolarHBondContact O-N 2.89Å; V636-L649 HydrophobicContact CG2-CD2 4.4Å
637	L	89.5	Confident	92.4	Very high	113 Å²	113	52.5 Å²	52.5	59%	0.592	30%	0.296	S	S	*	.			trans	-62.3	142.8	177	-66.7	174.6	0	0	0	110.2	D639 S642	L637-D639 HydrophobicContact CB-CB 3.98Å; L637-D639 PolarHBondContact O-N 2.78Å; L637-S642 WeakPolarHBondContact O-CB 2.94Å; L637-S642 PolarHBondContact O-OG 3.27Å
638	L	90.5	Very high	92.4	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.047	30%	0.295	C	S	.	.	S	Bend	trans	-75.4	63.3	172.1	-166.6	70.4	0	0	0	109.9	P622 L624 M651 K722 V723 N724	P622-L638 HydrophobicContact CB-CD1 4.29Å; P622-L638 HydrophobicContact CB-CD2 4.03Å; P622-L638 HydrophobicContact CG-CD2 4.19Å; L624-L638 HydrophobicContact CB-CD1 4.11Å; L624-L638 HydrophobicContact CD2-CD1 4.36Å; L638-M651 HydrophobicContact CD1-SD 4.32Å; L638-K722 WeakPolarHBondContact CD2-O 3.27Å; L638-V723 HydrophobicContact CD1-CG2 4.36Å; L638-N724 WeakPolarHBondContact O-CB 3.47Å; L638-N724 PolarHBondContact O-N 3.46Å
639	D	89.5	Confident	92.5	Very high	17 Å²	17	51.6 Å²	51.6	9%	0.091	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-138	149.8	-168.8	-167.9	-86	0	0	0	112.6	L637 S641 S642 V723 N724 S726	L637-D639 HydrophobicContact CB-CB 3.98Å; L637-D639 PolarHBondContact O-N 2.78Å; D639-S641 PolarHBondContact O-N 3.02Å; D639-S641 VanDerWaalsContact O-N 3.16Å; D639-S641 WeakPolarHBondContact OD1-CB 3.25Å; D639-S641 PolarHBondContact OD1-N 3.26Å; D639-S641 PolarHBondContact OD1-OG 3.05Å; D639-S642 WeakPolarHBondContact O-CB 3.48Å; D639-S642 PolarHBondContact O-N 3.31Å; D639-V723 WeakPolarHBondContact O-CG1 3.19Å; D639-N724 HydrophobicContact CB-CB 4.49Å; D639-N724 PolarHBondContact OD2-ND2 3.43Å; D639-S726 VanDerWaalsContact CG-OG 3.22Å; D639-S726 WeakPolarHBondContact OD1-CB 3.38Å; D639-S726 PolarHBondContact OD1-OG 3.33Å; D639-S726 VanDerWaalsContact OD2-CB 3.22Å; D639-S726 WeakPolarHBondContact OD2-CB 3.31Å; D639-S726 PolarHBondContact OD2-OG 3.39Å
640	S	86.5	Confident	92.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-58.5	-28.6	-178	28.5	0	0	0	0	113.7	S642 I643 N724 S726 Q727 A741	S640-S642 PolarHBondContact O-N 3.18Å; S640-I643 PolarHBondContact O-N 2.9Å; S640-N724 PolarHBondContact N-O 2.83Å; S640-N724 PolarHBondContact OG-O 3.36Å; S640-S726 PolarHBondContact OG-N 3.06Å; S640-S726 PolarHBondContact OG-OG 3.43Å; S640-Q727 PolarHBondContact OG-N 3.17Å; S640-A741 WeakPolarHBondContact CB-O 3.5Å; S640-A741 PolarHBondContact O-N 3.18Å
641	S	88.2	Confident	93.1	Very high	33 Å²	33	40 Å²	40	23%	0.231	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.4	174.4	54.3	0	0	0	0	113.6	D639 I643	D639-S641 PolarHBondContact O-N 3.02Å; D639-S641 VanDerWaalsContact O-N 3.16Å; D639-S641 WeakPolarHBondContact OD1-CB 3.25Å; D639-S641 PolarHBondContact OD1-N 3.26Å; D639-S641 PolarHBondContact OD1-OG 3.05Å; S641-I643 VanDerWaalsContact C-N 3.31Å
642	S	92.2	Very high	93.6	Very high	17 Å²	17	38.2 Å²	38.2	12%	0.119	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-82.7	-8.6	178	-61.1	0	0	0	0	113.2	L637 D639 S640 L644	L637-S642 WeakPolarHBondContact O-CB 2.94Å; L637-S642 PolarHBondContact O-OG 3.27Å; D639-S642 WeakPolarHBondContact O-CB 3.48Å; D639-S642 PolarHBondContact O-N 3.31Å; S640-S642 PolarHBondContact O-N 3.18Å; S642-L644 PolarHBondContact O-N 2.83Å
643	I	93	Very high	93.8	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.041	19%	0.188	C	C	.	.			trans	-86.8	89	177.7	-52.6	179.4	0	0	0	109	S640 S641 L649 Y660 L719 L720 V723 A741	S640-I643 PolarHBondContact O-N 2.9Å; S641-I643 VanDerWaalsContact C-N 3.31Å; I643-L649 HydrophobicContact CG1-CD1 4.15Å; I643-Y660 HydrophobicContact CG2-CE1 3.67Å; I643-L719 HydrophobicContact CD1-CD2 4.27Å; I643-L719 HydrophobicContact CD1-CG 4.49Å; I643-L720 HydrophobicContact CD1-CD2 3.67Å; I643-V723 HydrophobicContact CD1-CG1 4.48Å; I643-V723 HydrophobicContact CD1-CG2 4.35Å; I643-A741 HydrophobicContact CB-CB 3.96Å; I643-A741 HydrophobicContact CD1-CB 4.44Å; I643-A741 HydrophobicContact CG2-CB 3.86Å
644	L	93.9	Very high	93.9	Very high	33 Å²	33	30.6 Å²	30.6	17%	0.173	17%	0.17	C	C	.	.			trans	-105.2	149.5	-178.2	-63.9	175.7	0	0	0	112	S642 D646 R647 T739	S642-L644 PolarHBondContact O-N 2.83Å; L644-D646 VanDerWaalsContact C-N 3.34Å; L644-D646 PolarHBondContact O-N 2.84Å; L644-R647 HydrophobicContact CB-CB 4.4Å; L644-R647 HydrophobicContact CB-CG 3.99Å; L644-R647 HydrophobicContact CD1-CG 4.42Å; L644-T739 WeakPolarHBondContact CD2-O 3.32Å
645	P	94.9	Very high	94	Very high	54 Å²	54	27.5 Å²	27.5	35%	0.351	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-26.5	-174.6	28.9	-35.7	0	0	0	113.8	G662 E663 T664 I665	P645-G662 CarbonylContact O-C 3.14Å; P645-G662 WeakPolarHBondContact O-CA 3.46Å; P645-E663 HydrophobicContact CB-CB 4.03Å; P645-E663 PolarHBondContact O-N 3.2Å; P645-T664 VanDerWaalsContact O-CB 3.3Å; P645-T664 WeakPolarHBondContact O-CB 3.14Å; P645-T664 PolarHBondContact O-N 3.3Å; P645-I665 PolarHBondContact O-N 3.38Å
646	D	94.6	Very high	94	Very high	59 Å²	59	23.8 Å²	23.8	32%	0.316	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	11.1	-175.6	66.1	-40.9	0	0	0	113.7	L644	L644-D646 VanDerWaalsContact C-N 3.34Å; L644-D646 PolarHBondContact O-N 2.84Å
647	R	95.3	Very high	94.1	Very high	56 Å²	56	22.2 Å²	22.2	21%	0.211	12%	0.119	C	C	.	.			trans	-123.7	156.6	-177.2	-55.9	-162	-178.1	-164.6	-1.4	112.5	S626 Y627 E634 L644 G662	S626-R647 WeakPolarHBondContact OG-CD 3.33Å; S626-R647 PolarHBondContact OG-NH1 3.16Å; Y627-R647 WeakPolarHBondContact O-CA 3.44Å; E634-R647 IonicContact OE1-NH1 3.83Å; E634-R647 PolarHBondContact OE1-NH1 3.12Å; E634-R647 VanDerWaalsContact OE1-NH1 3.14Å; L644-R647 HydrophobicContact CB-CB 4.4Å; L644-R647 HydrophobicContact CB-CG 3.99Å; L644-R647 HydrophobicContact CD1-CG 4.42Å; R647-G662 WeakPolarHBondContact O-CA 3.44Å; R647-G662 PolarHBondContact O-N 3.31Å
648	I	97.8	Very high	94.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.3	166.4	-52.7	169.6	0	0	0	107.7	Y627 I659 Y660 I665 L685 L686 P689	Y627-I648 PolarHBondContact N-O 3.06Å; Y627-I648 PolarHBondContact O-N 3.05Å; I648-I659 HydrophobicContact CG2-CG2 3.75Å; I648-Y660 CarbonylContact C-O 3.5Å; I648-Y660 WeakPolarHBondContact CA-O 3.47Å; I648-Y660 WeakPolarHBondContact CG2-O 3.43Å; I648-I665 HydrophobicContact CD1-CG2 3.95Å; I648-I665 HydrophobicContact CG1-CB 4.44Å; I648-I665 HydrophobicContact CG1-CG1 4.29Å; I648-I665 HydrophobicContact CG1-CG2 3.7Å; I648-L685 HydrophobicContact CD1-CG 3.95Å; I648-L685 WeakPolarHBondContact CD1-O 3.46Å; I648-L686 HydrophobicContact CD1-CD2 3.81Å; I648-P689 HydrophobicContact CG2-CB 4.44Å; I648-P689 HydrophobicContact CG2-CG 3.93Å
649	L	98	Very high	94.9	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.4	177.4	-57.8	175	0	0	0	110.6	L624 Y625 V636 I643 I659 Y660 L719	L624-L649 HydrophobicContact CD1-CB 3.96Å; L624-L649 HydrophobicContact CD1-CD1 4.38Å; L624-L649 HydrophobicContact CD2-CD1 4.32Å; L624-L649 HydrophobicContact CG-CD2 4.45Å; Y625-L649 CarbonylContact O-C 3.55Å; Y625-L649 WeakPolarHBondContact O-CA 3.4Å; V636-L649 HydrophobicContact CG2-CD2 4.4Å; I643-L649 HydrophobicContact CG1-CD1 4.15Å; L649-I659 CarbonylContact O-C 3.6Å; L649-I659 VanDerWaalsContact O-CA 3.31Å; L649-I659 WeakPolarHBondContact O-CA 3.34Å; L649-Y660 HydrophobicContact CD1-CD1 4.08Å; L649-Y660 HydrophobicContact CG-CD1 4.39Å; L649-Y660 PolarHBondContact N-O 2.87Å; L649-Y660 PolarHBondContact O-N 3.23Å; L649-L719 HydrophobicContact CD1-CD2 4.07Å
650	L	97.9	Very high	95.3	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.016	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.1	165.6	175.2	61.6	0	0	0	108.2	Y625 Y627 V658 I659 P689 D692 A693	Y625-L650 PolarHBondContact N-O 2.94Å; Y625-L650 PolarHBondContact O-N 3.01Å; Y627-L650 HydrophobicContact CE2-CB 3.67Å; L650-V658 WeakPolarHBondContact CA-O 3.39Å; L650-I659 HydrophobicContact CD1-CG1 3.76Å; L650-P689 HydrophobicContact CB-CB 4.43Å; L650-D692 HydrophobicContact CD2-CB 3.94Å; L650-A693 HydrophobicContact CD1-CB 4.1Å
651	M	97.8	Very high	95.8	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.6	173.8	-173.2	-176.6	58.5	0	0	110	P622 I623 L624 L638 T653 L657 V658 L719 K722	P622-M651 HydrophobicContact CB-CG 4.22Å; P622-M651 HydrophobicContact CB-SD 4.43Å; I623-M651 WeakPolarHBondContact O-CA 3.38Å; L624-M651 HydrophobicContact CD1-CB 3.65Å; L624-M651 HydrophobicContact CD1-CG 4.16Å; L638-M651 HydrophobicContact CD1-SD 4.32Å; M651-T653 HydrophobicContact CE-CG2 3.62Å; M651-T653 HydrophobicContact CG-CG2 4.04Å; M651-T653 HydrophobicContact SD-CG2 3.89Å; M651-L657 WeakPolarHBondContact O-CA 3.36Å; M651-V658 HydrophobicContact CB-CB 4.27Å; M651-V658 HydrophobicContact CE-CB 3.94Å; M651-V658 HydrophobicContact CE-CG2 3.6Å; M651-V658 PolarHBondContact N-O 3.42Å; M651-V658 PolarHBondContact O-N 3.25Å; M651-L719 HydrophobicContact CB-CD1 4.14Å; M651-L719 HydrophobicContact CE-CB 4.25Å; M651-L719 HydrophobicContact CE-CD1 4.22Å; M651-L719 HydrophobicContact CG-CD1 4.32Å; M651-L719 HydrophobicContact SD-CD1 3.59Å; M651-L719 VanDerWaalsContact SD-CD1 3.59Å; M651-K722 HydrophobicContact CE-CG 4.41Å; M651-K722 HydrophobicContact SD-CB 3.94Å; M651-K722 HydrophobicContact SD-CG 4.22Å
652	D	97.3	Very high	96.2	Very high	3 Å²	3	15 Å²	15	2%	0.016	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.4	172.3	176.7	15.6	0	0	0	110.7	I618 P622 I623 F654 L657 R700	I618-D652 WeakPolarHBondContact CG2-O 3.44Å; P622-D652 VanDerWaalsContact CA-O 3.29Å; P622-D652 WeakPolarHBondContact CA-O 3.34Å; P622-D652 WeakPolarHBondContact CB-O 3.5Å; I623-D652 HydrophobicContact CD1-CB 4.05Å; I623-D652 HydrophobicContact CG1-CB 3.66Å; I623-D652 PolarHBondContact N-O 3.07Å; I623-D652 VanDerWaalsContact N-O 3.08Å; I623-D652 PolarHBondContact O-N 2.87Å; D652-F654 WeakPolarHBondContact OD1-CA 3.16Å; D652-F654 PolarHBondContact OD1-N 3.46Å; D652-L657 HydrophobicContact CB-CD2 3.55Å; D652-L657 VanDerWaalsContact CG-CD2 3.48Å; D652-L657 WeakPolarHBondContact OD1-CD2 3.5Å; D652-R700 VanDerWaalsContact CG-NH1 3.35Å; D652-R700 IonicContact OD1-CZ 3.37Å; D652-R700 IonicContact OD1-NH1 2.71Å; D652-R700 PolarHBondContact OD1-NH1 3.2Å; D652-R700 IonicContact OD1-NH2 3.66Å; D652-R700 PolarHBondContact OD1-NH2 3.12Å; D652-R700 IonicContact OD2-CZ 2.68Å; D652-R700 IonicContact OD2-NH1 3.5Å; D652-R700 PolarHBondContact OD2-NH1 3.22Å; D652-R700 IonicContact OD2-NH2 2.72Å; D652-R700 PolarHBondContact OD2-NH2 3.5Å
653	T	95.9	Very high	96.4	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.055	9%	0.091	C	C	.	.			trans	-107.7	13.8	-178.8	64.3	0	0	0	0	112.8	P622 M651 F655 Q656 K722	P622-T653 HydrophobicContact CB-CG2 3.9Å; P622-T653 HydrophobicContact CG-CG2 3.88Å; M651-T653 HydrophobicContact CE-CG2 3.62Å; M651-T653 HydrophobicContact CG-CG2 4.04Å; M651-T653 HydrophobicContact SD-CG2 3.89Å; T653-F655 PolarHBondContact O-N 3.25Å; T653-Q656 PolarHBondContact N-O 3.18Å; T653-Q656 WeakPolarHBondContact OG1-CA 3.5Å; T653-Q656 WeakPolarHBondContact OG1-CB 3.41Å; T653-Q656 PolarHBondContact OG1-N 2.89Å; T653-Q656 PolarHBondContact OG1-O 3.27Å; T653-K722 HydrophobicContact CG2-CG 4.47Å
654	F	97.1	Very high	96.6	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	10%	0.1	C	C	.	.	S	Bend	trans	67.6	-52.7	-163.9	-178.7	-83.6	0	0	0	113.6	H607 Q611 Q615 I618 M619 D652 R700 P704	H607-F654 HydrophobicContact CB-CE1 4.3Å; Q611-F654 HydrophobicContact CG-CE2 4.21Å; Q611-F654 HydrophobicContact CG-CZ 4.09Å; Q615-F654 HydrophobicContact CB-CD2 3.82Å; Q615-F654 HydrophobicContact CB-CE2 3.77Å; Q615-F654 HydrophobicContact CG-CD2 4.26Å; Q615-F654 HydrophobicContact CG-CE2 3.99Å; I618-F654 HydrophobicContact CG2-CB 4.06Å; M619-F654 HydrophobicContact CE-CB 4.35Å; M619-F654 HydrophobicContact CE-CD1 3.2Å; M619-F654 HydrophobicContact CE-CD2 3.73Å; M619-F654 HydrophobicContact CE-CE1 3.19Å; M619-F654 HydrophobicContact CE-CE2 3.72Å; M619-F654 HydrophobicContact CE-CG 3.48Å; M619-F654 VanDerWaalsContact CE-CG 3.48Å; M619-F654 HydrophobicContact CE-CZ 3.46Å; M619-F654 VanDerWaalsContact CE-CZ 3.46Å; M619-F654 HydrophobicContact CG-CB 3.53Å; M619-F654 HydrophobicContact CG-CD1 4.05Å; M619-F654 HydrophobicContact CG-CD2 4.36Å; M619-F654 HydrophobicContact CG-CG 3.73Å; M619-F654 HydrophobicContact SD-CD1 4.42Å; M619-F654 HydrophobicContact SD-CG 4.47Å; D652-F654 WeakPolarHBondContact OD1-CA 3.16Å; D652-F654 PolarHBondContact OD1-N 3.46Å; F654-R700 HydrophobicContact CD2-CG 4.5Å; F654-R700 HydrophobicContact CE2-CG 4.04Å; F654-R700 HydrophobicContact CZ-CG 4.31Å; F654-R700 WeakPolarHBondContact O-CD 3.47Å; F654-R700 PolarHBondContact O-NH1 2.74Å; F654-R700 VanDerWaalsContact O-NH1 3.14Å; F654-P704 WeakPolarHBondContact O-CB 3.45Å
655	F	95.5	Very high	96.7	Very high	24 Å²	24	18.2 Å²	18.2	11%	0.105	9%	0.092	C	C	.	.	S	Bend	trans	-83.5	-25.6	-176.3	-57.2	-73.4	0	0	0	113.5	F590 Y603 Y604 H607 M619 T653 P704 R705	F590-F655 HydrophobicContact CE1-CE2 4.26Å; F590-F655 HydrophobicContact CE1-CZ 4.4Å; F590-F655 HydrophobicContact CZ-CE2 4.02Å; F590-F655 HydrophobicContact CZ-CZ 4.5Å; Y603-F655 HydrophobicContact CD1-CD1 4.43Å; Y603-F655 HydrophobicContact CD1-CE1 4.44Å; Y603-F655 AromaticContact CE1-CD1 3.71Å; Y603-F655 HydrophobicContact CE1-CD1 3.71Å; Y603-F655 HydrophobicContact CE1-CE1 4Å; Y604-F655 AromaticContact CD1-CD1 3.81Å; Y604-F655 HydrophobicContact CD1-CD1 3.81Å; Y604-F655 AromaticContact CD1-CD2 3.68Å; Y604-F655 HydrophobicContact CD1-CD2 3.68Å; Y604-F655 AromaticContact CD1-CE1 3.74Å; Y604-F655 HydrophobicContact CD1-CE1 3.74Å; Y604-F655 AromaticContact CD1-CE2 3.61Å; Y604-F655 HydrophobicContact CD1-CE2 3.61Å; Y604-F655 AromaticContact CD1-CG 3.78Å; Y604-F655 HydrophobicContact CD1-CG 3.78Å; Y604-F655 AromaticContact CD1-CZ 3.65Å; Y604-F655 HydrophobicContact CD1-CZ 3.65Å; Y604-F655 HydrophobicContact CE1-CB 4.2Å; Y604-F655 HydrophobicContact CE1-CD1 4.07Å; Y604-F655 AromaticContact CE1-CD2 3.92Å; Y604-F655 HydrophobicContact CE1-CD2 3.92Å; Y604-F655 HydrophobicContact CE1-CE1 4.46Å; Y604-F655 HydrophobicContact CE1-CE2 4.32Å; Y604-F655 AromaticContact CE1-CG 3.78Å; Y604-F655 HydrophobicContact CE1-CG 3.78Å; Y604-F655 HydrophobicContact CG-CE2 4.33Å; Y604-F655 HydrophobicContact CG-CZ 4.36Å; H607-F655 HydrophobicContact CB-CE1 3.83Å; H607-F655 HydrophobicContact CB-CZ 4.14Å; M619-F655 HydrophobicContact CE-CE1 4.29Å; M619-F655 HydrophobicContact CE-CE2 4.43Å; M619-F655 HydrophobicContact CE-CZ 3.81Å; M619-F655 HydrophobicContact CG-CE2 3.87Å; M619-F655 HydrophobicContact CG-CZ 4.16Å; M619-F655 HydrophobicContact SD-CE2 4.22Å; M619-F655 HydrophobicContact SD-CZ 3.95Å; T653-F655 PolarHBondContact O-N 3.25Å; F655-P704 CarbonylContact O-C 3.34Å; F655-P704 VanDerWaalsContact O-CA 3.31Å; F655-P704 WeakPolarHBondContact O-CA 3.42Å; F655-P704 WeakPolarHBondContact O-CB 3.41Å; F655-R705 PolarHBondContact O-N 2.89Å
656	Q	95	Very high	96.8	Very high	25 Å²	25	15.9 Å²	15.9	12%	0.117	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.2	-178.6	-51.6	179.4	-21.1	0	0	110.1	T653 V658 R705 F718	T653-Q656 PolarHBondContact N-O 3.18Å; T653-Q656 WeakPolarHBondContact OG1-CA 3.5Å; T653-Q656 WeakPolarHBondContact OG1-CB 3.41Å; T653-Q656 PolarHBondContact OG1-N 2.89Å; T653-Q656 PolarHBondContact OG1-O 3.27Å; Q656-V658 HydrophobicContact CB-CG2 4.4Å; Q656-R705 CarbonylContact C-O 3.56Å; Q656-R705 VanDerWaalsContact CA-O 3.26Å; Q656-R705 WeakPolarHBondContact CA-O 3.43Å; Q656-R705 HydrophobicContact CG-CB 4.32Å; Q656-F718 VanDerWaalsContact OE1-CD1 3.25Å
657	L	96.3	Very high	96.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.5	166.1	-66.3	177.2	0	0	0	108.1	M651 D652 A693 I696 L697 P704 R705 I707	M651-L657 WeakPolarHBondContact O-CA 3.36Å; D652-L657 HydrophobicContact CB-CD2 3.55Å; D652-L657 VanDerWaalsContact CG-CD2 3.48Å; D652-L657 WeakPolarHBondContact OD1-CD2 3.5Å; L657-A693 HydrophobicContact CD1-CB 4.29Å; L657-I696 HydrophobicContact CD1-CB 4.02Å; L657-I696 HydrophobicContact CD1-CG2 3.99Å; L657-I696 HydrophobicContact CD2-CD1 4.18Å; L657-I696 HydrophobicContact CD2-CG2 4.13Å; L657-L697 HydrophobicContact CD1-CD2 3.94Å; L657-L697 HydrophobicContact CD1-CG 3.71Å; L657-P704 HydrophobicContact CD1-CG 3.81Å; L657-P704 HydrophobicContact CG-CB 4.18Å; L657-P704 HydrophobicContact CG-CG 3.86Å; L657-R705 PolarHBondContact N-O 3.33Å; L657-I707 PolarHBondContact O-N 2.92Å
658	V	97.3	Very high	96.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.1	-176.7	-174.3	0	0	0	0	109.1	L650 M651 Q656 I707 T709 F718	L650-V658 WeakPolarHBondContact CA-O 3.39Å; M651-V658 HydrophobicContact CB-CB 4.27Å; M651-V658 HydrophobicContact CE-CB 3.94Å; M651-V658 HydrophobicContact CE-CG2 3.6Å; M651-V658 PolarHBondContact N-O 3.42Å; M651-V658 PolarHBondContact O-N 3.25Å; Q656-V658 HydrophobicContact CB-CG2 4.4Å; V658-I707 CarbonylContact C-O 3.58Å; V658-I707 WeakPolarHBondContact CA-O 3.48Å; V658-I707 HydrophobicContact CB-CB 4.49Å; V658-I707 HydrophobicContact CG1-CB 4.4Å; V658-I707 HydrophobicContact CG1-CG2 4.03Å; V658-I707 HydrophobicContact CG2-CB 4.15Å; V658-I707 HydrophobicContact CG2-CD1 4.2Å; V658-I707 HydrophobicContact CG2-CG2 4.45Å; V658-T709 HydrophobicContact CG1-CG2 3.94Å; V658-F718 HydrophobicContact CG2-CB 4.2Å
659	I	98	Very high	96.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.1	166.3	-62.1	-179.5	0	0	0	107.7	I648 L649 L650 P689 L690 A693 Y706 I707 T709	I648-I659 HydrophobicContact CG2-CG2 3.75Å; L649-I659 CarbonylContact O-C 3.6Å; L649-I659 VanDerWaalsContact O-CA 3.31Å; L649-I659 WeakPolarHBondContact O-CA 3.34Å; L650-I659 HydrophobicContact CD1-CG1 3.76Å; I659-P689 HydrophobicContact CD1-CB 4.1Å; I659-P689 HydrophobicContact CG1-CB 4.45Å; I659-P689 HydrophobicContact CG2-CG 4.49Å; I659-L690 HydrophobicContact CD1-CD2 3.6Å; I659-L690 HydrophobicContact CD1-CG 4.28Å; I659-A693 HydrophobicContact CD1-CB 4.36Å; I659-Y706 HydrophobicContact CD1-CE2 3.99Å; I659-Y706 WeakPolarHBondContact CD1-OH 3.43Å; I659-Y706 HydrophobicContact CG1-CE2 4.46Å; I659-I707 PolarHBondContact N-O 3.13Å; I659-T709 PolarHBondContact O-N 3.13Å; I659-T709 VanDerWaalsContact O-O 3.12Å
660	Y	98.2	Very high	96.8	Very high	13 Å²	13	30.3 Å²	30.3	5%	0.051	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.7	177.7	172.5	-89.9	0	0	0	110.3	I643 I648 L649 T709 H711 A716 L719	I643-Y660 HydrophobicContact CG2-CE1 3.67Å; I648-Y660 CarbonylContact C-O 3.5Å; I648-Y660 WeakPolarHBondContact CA-O 3.47Å; I648-Y660 WeakPolarHBondContact CG2-O 3.43Å; L649-Y660 HydrophobicContact CD1-CD1 4.08Å; L649-Y660 HydrophobicContact CG-CD1 4.39Å; L649-Y660 PolarHBondContact N-O 2.87Å; L649-Y660 PolarHBondContact O-N 3.23Å; Y660-T709 CarbonylContact C-O 3.57Å; Y660-T709 VanDerWaalsContact CA-O 3.31Å; Y660-T709 WeakPolarHBondContact CA-O 3.34Å; Y660-T709 HydrophobicContact CD2-CG2 4.25Å; Y660-H711 WeakPolarHBondContact OH-CA 3.38Å; Y660-H711 WeakPolarHBondContact OH-CB 3.49Å; Y660-H711 PolarHBondContact OH-ND1 3.21Å; Y660-A716 HydrophobicContact CD2-CB 4.19Å; Y660-A716 HydrophobicContact CE2-CB 4.08Å; Y660-L719 HydrophobicContact CD1-CD2 4.07Å; Y660-L719 HydrophobicContact CD2-CD2 4Å; Y660-L719 HydrophobicContact CG-CD2 3.66Å
661	H	97.7	Very high	96.7	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.023	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.2	172.7	-60.5	-83.5	0	0	0	110.8	I665 A666 R669 D708 T709 E710 H711	H661-I665 HydrophobicContact CB-CG2 4.24Å; H661-A666 HydrophobicContact CB-CB 4.32Å; H661-R669 PolarHBondContact CD2-NH1 3.01Å; H661-R669 PolarHBondContact NE2-NH1 3.07Å; H661-D708 IonicContact CD2-OD1 2.9Å; H661-D708 PolarHBondContact CD2-OD1 3.47Å; H661-D708 IonicContact NE2-OD1 3.44Å; H661-D708 PolarHBondContact NE2-OD1 3.13Å; H661-T709 PolarHBondContact CD2-O 3.37Å; H661-T709 PolarHBondContact N-O 3.14Å; H661-E710 HydrophobicContact CB-CB 4.05Å; H661-E710 CarbonylContact O-C 3.58Å; H661-E710 WeakPolarHBondContact O-CA 3.17Å; H661-H711 PolarHBondContact O-N 3.25Å
662	G	96.8	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.			trans	-58	161.2	171.5	0	0	0	0	0	112.6	P645 R647 T664 I665 A666	P645-G662 CarbonylContact O-C 3.14Å; P645-G662 WeakPolarHBondContact O-CA 3.46Å; R647-G662 WeakPolarHBondContact O-CA 3.44Å; R647-G662 PolarHBondContact O-N 3.31Å; G662-T664 PolarHBondContact O-N 3.09Å; G662-I665 PolarHBondContact O-N 2.99Å; G662-A666 WeakPolarHBondContact O-CB 3.37Å; G662-A666 PolarHBondContact O-N 3.24Å
663	E	96.8	Very high	96.5	Very high	87 Å²	87	37.6 Å²	37.6	41%	0.407	18%	0.182	S	C	.	.	H	α-helix	trans	-53	-50.7	-172.9	-173.9	-175.5	177.1	0	0	113.3	P645 A666 Q667 H711	P645-E663 HydrophobicContact CB-CB 4.03Å; P645-E663 PolarHBondContact O-N 3.2Å; E663-A666 PolarHBondContact O-N 3.25Å; E663-Q667 VanDerWaalsContact O-CG 3.31Å; E663-Q667 WeakPolarHBondContact O-CG 3.48Å; E663-Q667 PolarHBondContact O-N 3.18Å; E663-Q667 PolarHBondContact OE1-NE2 3.21Å; E663-H711 HydrophobicContact CB-CB 4.05Å
664	T	96.1	Very high	96.4	Very high	38 Å²	38	38.8 Å²	38.8	23%	0.233	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-43.6	-180	-53.3	0	0	0	0	111.2	P645 G662 A666 Q667 W668	P645-T664 VanDerWaalsContact O-CB 3.3Å; P645-T664 WeakPolarHBondContact O-CB 3.14Å; P645-T664 PolarHBondContact O-N 3.3Å; G662-T664 PolarHBondContact O-N 3.09Å; T664-A666 VanDerWaalsContact C-N 3.34Å; T664-A666 PolarHBondContact O-N 3.25Å; T664-Q667 PolarHBondContact O-N 3.22Å; T664-W668 HydrophobicContact CG2-CD2 3.96Å; T664-W668 HydrophobicContact CG2-CE3 4.18Å; T664-W668 HydrophobicContact CG2-CH2 3.61Å; T664-W668 HydrophobicContact CG2-CZ2 3.35Å; T664-W668 HydrophobicContact CG2-CZ3 3.99Å; T664-W668 PolarHBondContact O-N 2.85Å
665	I	97	Very high	96.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-42.6	177.9	-60.3	-63.5	0	0	0	111.2	P645 I648 H661 G662 Q667 W668 R669 F682 L685 L686	P645-I665 PolarHBondContact O-N 3.38Å; I648-I665 HydrophobicContact CD1-CG2 3.95Å; I648-I665 HydrophobicContact CG1-CB 4.44Å; I648-I665 HydrophobicContact CG1-CG1 4.29Å; I648-I665 HydrophobicContact CG1-CG2 3.7Å; H661-I665 HydrophobicContact CB-CG2 4.24Å; G662-I665 PolarHBondContact O-N 2.99Å; I665-Q667 VanDerWaalsContact C-N 3.34Å; I665-Q667 PolarHBondContact O-N 2.96Å; I665-W668 HydrophobicContact CD1-CE3 3.89Å; I665-W668 HydrophobicContact CD1-CZ3 3.89Å; I665-W668 PolarHBondContact O-N 3.11Å; I665-R669 WeakPolarHBondContact O-CB 3.26Å; I665-R669 PolarHBondContact O-N 3.43Å; I665-F682 HydrophobicContact CD1-CE2 4.05Å; I665-F682 HydrophobicContact CG2-CE2 4.02Å; I665-F682 HydrophobicContact CG2-CZ 4.26Å; I665-L685 HydrophobicContact CD1-CD2 4.03Å; I665-L686 HydrophobicContact CG2-CD2 4.05Å
666	A	96.3	Very high	96.3	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-41.3	177.6	0	0	0	0	0	111.5	H661 G662 E663 T664 R669 K670 E710	H661-A666 HydrophobicContact CB-CB 4.32Å; G662-A666 WeakPolarHBondContact O-CB 3.37Å; G662-A666 PolarHBondContact O-N 3.24Å; E663-A666 PolarHBondContact O-N 3.25Å; T664-A666 VanDerWaalsContact C-N 3.34Å; T664-A666 PolarHBondContact O-N 3.25Å; A666-R669 PolarHBondContact O-N 3.37Å; A666-K670 WeakPolarHBondContact O-CB 3.34Å; A666-K670 VanDerWaalsContact O-CG 3.32Å; A666-K670 WeakPolarHBondContact O-CG 3.49Å; A666-K670 PolarHBondContact O-N 3.17Å; A666-E710 HydrophobicContact CB-CB 3.9Å
667	Q	96.5	Very high	96.3	Very high	108 Å²	108	52.4 Å²	52.4	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-46.5	174.1	-70.9	173	12.2	0	0	111.7	E663 T664 I665 K670 A671	E663-Q667 VanDerWaalsContact O-CG 3.31Å; E663-Q667 WeakPolarHBondContact O-CG 3.48Å; E663-Q667 PolarHBondContact O-N 3.18Å; E663-Q667 PolarHBondContact OE1-NE2 3.21Å; T664-Q667 PolarHBondContact O-N 3.22Å; I665-Q667 VanDerWaalsContact C-N 3.34Å; I665-Q667 PolarHBondContact O-N 2.96Å; Q667-K670 PolarHBondContact O-N 2.57Å; Q667-A671 WeakPolarHBondContact O-CB 3.49Å; Q667-A671 PolarHBondContact O-N 3.02Å
668	W	96.7	Very high	96.2	Very high	88 Å²	88	59.2 Å²	59.2	33%	0.333	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-40.3	177.2	-66.1	-20.2	0	0	0	113.1	F629 T664 I665 K670 A671 G672 Y673 F682	F629-W668 AromaticContact CE2-CZ3 3.91Å; F629-W668 HydrophobicContact CE2-CZ3 3.91Å; T664-W668 HydrophobicContact CG2-CD2 3.96Å; T664-W668 HydrophobicContact CG2-CE3 4.18Å; T664-W668 HydrophobicContact CG2-CH2 3.61Å; T664-W668 HydrophobicContact CG2-CZ2 3.35Å; T664-W668 HydrophobicContact CG2-CZ3 3.99Å; T664-W668 PolarHBondContact O-N 2.85Å; I665-W668 HydrophobicContact CD1-CE3 3.89Å; I665-W668 HydrophobicContact CD1-CZ3 3.89Å; I665-W668 PolarHBondContact O-N 3.11Å; W668-K670 VanDerWaalsContact C-N 3.33Å; W668-K670 PolarHBondContact O-N 3Å; W668-A671 PolarHBondContact O-N 2.88Å; W668-G672 PolarHBondContact O-N 3.33Å; W668-Y673 HydrophobicContact CB-CD2 3.99Å; W668-Y673 AromaticContact CD1-CD2 3.89Å; W668-Y673 AromaticContact CD1-CE2 3.64Å; W668-Y673 AromaticContact CG-CD2 3.97Å; W668-Y673 HydrophobicContact CG-CD2 3.97Å; W668-Y673 HydrophobicContact CG-CE2 4.18Å; W668-Y673 PolarHBondContact O-N 3.49Å; W668-F682 HydrophobicContact CB-CE1 3.78Å; W668-F682 HydrophobicContact CB-CE2 4.15Å; W668-F682 HydrophobicContact CB-CZ 3.5Å; W668-F682 VanDerWaalsContact CB-CZ 3.5Å; W668-F682 HydrophobicContact CE3-CD2 4.41Å; W668-F682 HydrophobicContact CE3-CE2 4.03Å
669	R	96.1	Very high	96.1	Very high	83 Å²	83	63.9 Å²	63.9	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.2	-173.5	-174	-178.6	-167.8	7.7	111.1	H661 I665 A666 G672 Q674 F682 L686 D708	H661-R669 PolarHBondContact CD2-NH1 3.01Å; H661-R669 PolarHBondContact NE2-NH1 3.07Å; I665-R669 WeakPolarHBondContact O-CB 3.26Å; I665-R669 PolarHBondContact O-N 3.43Å; A666-R669 PolarHBondContact O-N 3.37Å; R669-G672 PolarHBondContact O-N 3.35Å; R669-Q674 PolarHBondContact O-NE2 2.86Å; R669-Q674 PolarHBondContact O-OE1 3.47Å; R669-F682 HydrophobicContact CB-CZ 4.37Å; R669-L686 HydrophobicContact CG-CD1 4.21Å; R669-L686 HydrophobicContact CG-CD2 4.48Å; R669-D708 IonicContact CZ-OD2 3.69Å; R669-D708 IonicContact NH1-OD1 3.58Å; R669-D708 PolarHBondContact NH1-OD1 3.2Å; R669-D708 IonicContact NH1-OD2 3.39Å; R669-D708 PolarHBondContact NH1-OD2 3.41Å; R669-D708 IonicContact NH2-OD2 2.81Å; R669-D708 PolarHBondContact NH2-OD2 3.22Å
670	K	95.6	Very high	95.9	Very high	142 Å²	142	68.2 Å²	68.2	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-69.1	-33.2	177.1	-74.4	173.8	-177.8	171.1	0	113.1	A666 Q667 W668 G672 E710	A666-K670 WeakPolarHBondContact O-CB 3.34Å; A666-K670 VanDerWaalsContact O-CG 3.32Å; A666-K670 WeakPolarHBondContact O-CG 3.49Å; A666-K670 PolarHBondContact O-N 3.17Å; Q667-K670 PolarHBondContact O-N 2.57Å; W668-K670 VanDerWaalsContact C-N 3.33Å; W668-K670 PolarHBondContact O-N 3Å; K670-G672 PolarHBondContact O-N 3.02Å; K670-E710 WeakPolarHBondContact CE-OE1 3.22Å; K670-E710 WeakPolarHBondContact CE-OE2 3.4Å; K670-E710 VanDerWaalsContact NZ-CD 3.33Å; K670-E710 IonicContact NZ-OE1 3.83Å; K670-E710 PolarHBondContact NZ-OE1 3.25Å; K670-E710 IonicContact NZ-OE2 2.67Å; K670-E710 PolarHBondContact NZ-OE2 2.95Å
671	A	96.2	Very high	95.7	Very high	57 Å²	57	71.5 Å²	71.5	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-70.8	-12.2	174.6	0	0	0	0	0	113.2	Q667 W668 Y673	Q667-A671 WeakPolarHBondContact O-CB 3.49Å; Q667-A671 PolarHBondContact O-N 3.02Å; W668-A671 PolarHBondContact O-N 2.88Å; A671-Y673 HydrophobicContact CB-CD1 4.01Å; A671-Y673 HydrophobicContact CB-CE1 3.87Å
672	G	96.1	Very high	95.7	Very high	21 Å²	21	71.4 Å²	71.4	22%	0.216	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	21.9	175.5	0	0	0	0	0	114.2	W668 R669 K670 Q674 E675	W668-G672 PolarHBondContact O-N 3.33Å; R669-G672 PolarHBondContact O-N 3.35Å; K670-G672 PolarHBondContact O-N 3.02Å; G672-Q674 PolarHBondContact O-N 3.43Å; G672-E675 PolarHBondContact O-N 2.86Å; G672-E675 VanDerWaalsContact O-N 3.13Å
673	Y	95.4	Very high	95.7	Very high	81 Å²	81	76 Å²	76	32%	0.318	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-60.5	-30.5	-178.5	-71.5	-4.4	0	0	0	112.7	W668 A671 E675 M676 Y679	W668-Y673 HydrophobicContact CB-CD2 3.99Å; W668-Y673 AromaticContact CD1-CD2 3.89Å; W668-Y673 AromaticContact CD1-CE2 3.64Å; W668-Y673 AromaticContact CG-CD2 3.97Å; W668-Y673 HydrophobicContact CG-CD2 3.97Å; W668-Y673 HydrophobicContact CG-CE2 4.18Å; W668-Y673 PolarHBondContact O-N 3.49Å; A671-Y673 HydrophobicContact CB-CD1 4.01Å; A671-Y673 HydrophobicContact CB-CE1 3.87Å; Y673-E675 PolarHBondContact O-N 3.29Å; Y673-E675 VanDerWaalsContact O-N 3.14Å; Y673-M676 HydrophobicContact CD1-CE 4.06Å; Y673-M676 HydrophobicContact CD1-SD 4.11Å; Y673-M676 HydrophobicContact CE1-CE 4.4Å; Y673-M676 WeakPolarHBondContact O-CB 3.4Å; Y673-M676 PolarHBondContact O-N 3.03Å; Y673-Y679 HydrophobicContact CG-CD2 4.3Å; Y673-Y679 HydrophobicContact CG-CE2 4.36Å; Y673-Y679 WeakPolarHBondContact O-CB 3.45Å
674	Q	94.7	Very high	95.6	Very high	34 Å²	34	77.7 Å²	77.7	16%	0.159	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-62.9	-17.1	177.4	66.9	-82.1	7	0	0	114.9	R669 G672 F682 K683 L686	R669-Q674 PolarHBondContact O-NE2 2.86Å; R669-Q674 PolarHBondContact O-OE1 3.47Å; G672-Q674 PolarHBondContact O-N 3.43Å; Q674-F682 HydrophobicContact CB-CD1 4.04Å; Q674-F682 HydrophobicContact CB-CE1 4.35Å; Q674-K683 HydrophobicContact CB-CB 4.25Å; Q674-L686 HydrophobicContact CB-CD1 3.82Å; Q674-L686 HydrophobicContact CG-CD1 4.09Å
675	E	95.1	Very high	95.6	Very high	150 Å²	150	76.6 Å²	76.6	70%	0.701	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-90	-11.4	177.3	-56.9	-55.7	143.3	0	0	112.5	G672 Y673	G672-E675 PolarHBondContact O-N 2.86Å; G672-E675 VanDerWaalsContact O-N 3.13Å; Y673-E675 PolarHBondContact O-N 3.29Å; Y673-E675 VanDerWaalsContact O-N 3.14Å
676	M	95.3	Very high	95.6	Very high	75 Å²	75	77.5 Å²	77.5	37%	0.369	38%	0.375	S	S	.	.	S	Bend	trans	-86.8	134	-179.4	-61.7	179.5	-177.1	0	0	110.3	Y673 E678 Y679	Y673-M676 HydrophobicContact CD1-CE 4.06Å; Y673-M676 HydrophobicContact CD1-SD 4.11Å; Y673-M676 HydrophobicContact CE1-CE 4.4Å; Y673-M676 WeakPolarHBondContact O-CB 3.4Å; Y673-M676 PolarHBondContact O-N 3.03Å; M676-E678 PolarHBondContact O-N 3.03Å; M676-Y679 HydrophobicContact CB-CD2 3.94Å; M676-Y679 PolarHBondContact O-N 3.27Å; M676-Y679 HydrophobicContact SD-CD2 4Å; M676-Y679 HydrophobicContact SD-CE2 3.95Å
677	P	94.2	Very high	95.6	Very high	112 Å²	112	81.4 Å²	81.4	73%	0.727	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22	-177.5	27.4	-34.6	0	0	0	113	Y679	P677-Y679 VanDerWaalsContact C-N 3.26Å; P677-Y679 PolarHBondContact O-N 2.82Å
678	E	94.8	Very high	95.6	Very high	142 Å²	142	77.8 Å²	77.8	66%	0.664	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-70.7	-20.8	175.8	-56	97	171.8	0	0	113.4	M676	M676-E678 PolarHBondContact O-N 3.03Å
679	Y	94.8	Very high	95.6	Very high	99 Å²	99	73.6 Å²	73.6	39%	0.388	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-114.7	35.5	-173.9	-61	-67	0	0	0	113.1	Y673 M676 P677 N681 F682 K683	Y673-Y679 HydrophobicContact CG-CD2 4.3Å; Y673-Y679 HydrophobicContact CG-CE2 4.36Å; Y673-Y679 WeakPolarHBondContact O-CB 3.45Å; M676-Y679 HydrophobicContact CB-CD2 3.94Å; M676-Y679 PolarHBondContact O-N 3.27Å; M676-Y679 HydrophobicContact SD-CD2 4Å; M676-Y679 HydrophobicContact SD-CE2 3.95Å; P677-Y679 VanDerWaalsContact C-N 3.26Å; P677-Y679 PolarHBondContact O-N 2.82Å; Y679-N681 WeakPolarHBondContact CA-OD1 3.16Å; Y679-N681 PolarHBondContact O-N 2.83Å; Y679-N681 VanDerWaalsContact O-N 3.17Å; Y679-F682 WeakPolarHBondContact O-CB 3.42Å; Y679-F682 PolarHBondContact O-N 3.37Å; Y679-K683 PolarHBondContact O-N 3.48Å
680	E	94.6	Very high	95.5	Very high	92 Å²	92	71.9 Å²	71.9	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-55.8	-31.8	174.9	-173.4	63.1	-154.8	0	0	112.2	F682 K683 Q684	E680-F682 VanDerWaalsContact C-N 3.34Å; E680-F682 PolarHBondContact O-N 3.38Å; E680-K683 WeakPolarHBondContact O-CB 3.29Å; E680-K683 PolarHBondContact O-N 3.24Å; E680-Q684 WeakPolarHBondContact O-CG 3.4Å; E680-Q684 PolarHBondContact O-N 3.46Å
681	N	94.1	Very high	95.5	Very high	82 Å²	82	69.2 Å²	69.2	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-37.6	173.5	63.5	-27.3	0	0	0	113.1	F629 Y679 Q684 L685	F629-N681 HydrophobicContact CE1-CB 4.29Å; Y679-N681 WeakPolarHBondContact CA-OD1 3.16Å; Y679-N681 PolarHBondContact O-N 2.83Å; Y679-N681 VanDerWaalsContact O-N 3.17Å; N681-Q684 PolarHBondContact O-N 3.04Å; N681-L685 PolarHBondContact O-N 3.06Å
682	F	96.5	Very high	95.4	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.018	35%	0.347	C	S	.	.	H	α-helix	trans	-71.6	-37	176.9	-178.2	-123.5	0	0	0	111.3	F629 I665 W668 R669 Q674 Y679 E680 Q684 L685 L686	F629-F682 HydrophobicContact CE2-CD2 4.4Å; F629-F682 HydrophobicContact CZ-CB 4.1Å; F629-F682 AromaticContact CZ-CD2 3.81Å; F629-F682 HydrophobicContact CZ-CD2 3.81Å; F629-F682 HydrophobicContact CZ-CG 4.42Å; I665-F682 HydrophobicContact CD1-CE2 4.05Å; I665-F682 HydrophobicContact CG2-CE2 4.02Å; I665-F682 HydrophobicContact CG2-CZ 4.26Å; W668-F682 HydrophobicContact CB-CE1 3.78Å; W668-F682 HydrophobicContact CB-CE2 4.15Å; W668-F682 HydrophobicContact CB-CZ 3.5Å; W668-F682 VanDerWaalsContact CB-CZ 3.5Å; W668-F682 HydrophobicContact CE3-CD2 4.41Å; W668-F682 HydrophobicContact CE3-CE2 4.03Å; R669-F682 HydrophobicContact CB-CZ 4.37Å; Q674-F682 HydrophobicContact CB-CD1 4.04Å; Q674-F682 HydrophobicContact CB-CE1 4.35Å; Y679-F682 WeakPolarHBondContact O-CB 3.42Å; Y679-F682 PolarHBondContact O-N 3.37Å; E680-F682 VanDerWaalsContact C-N 3.34Å; E680-F682 PolarHBondContact O-N 3.38Å; F682-Q684 VanDerWaalsContact C-N 3.35Å; F682-L685 HydrophobicContact CD2-CD2 4.31Å; F682-L685 WeakPolarHBondContact O-CB 3.43Å; F682-L685 PolarHBondContact O-N 3.37Å; F682-L686 HydrophobicContact CD1-CD1 4.19Å; F682-L686 HydrophobicContact CE1-CD1 3.74Å; F682-L686 HydrophobicContact CE1-CG 4.38Å; F682-L686 HydrophobicContact CE2-CD1 4.45Å; F682-L686 HydrophobicContact CE2-CD2 4.32Å; F682-L686 HydrophobicContact CE2-CG 4.22Å; F682-L686 HydrophobicContact CZ-CD1 3.89Å; F682-L686 HydrophobicContact CZ-CD2 4.15Å; F682-L686 HydrophobicContact CZ-CG 4.1Å; F682-L686 WeakPolarHBondContact O-CG 3.42Å; F682-L686 PolarHBondContact O-N 3.15Å
683	K	96.1	Very high	95.4	Very high	97 Å²	97	68.3 Å²	68.3	42%	0.422	34%	0.337	S	S	.	.	H	α-helix	trans	-59.7	-45.2	171.8	-174.4	-179.1	-179.4	179	0	111.6	Q674 Y679 E680 L685 L686 Q687	Q674-K683 HydrophobicContact CB-CB 4.25Å; Y679-K683 PolarHBondContact O-N 3.48Å; E680-K683 WeakPolarHBondContact O-CB 3.29Å; E680-K683 PolarHBondContact O-N 3.24Å; K683-L685 VanDerWaalsContact C-N 3.35Å; K683-L685 PolarHBondContact O-N 2.9Å; K683-L686 PolarHBondContact O-N 2.96Å; K683-Q687 WeakPolarHBondContact O-CB 3.47Å; K683-Q687 PolarHBondContact O-N 3.2Å
684	Q	95.3	Very high	95.2	Very high	122 Å²	122	68.8 Å²	68.8	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-61.5	-41.2	174.5	-70.9	175.5	5.9	0	0	112.2	E680 N681 F682 L686 Q687 A688	E680-Q684 WeakPolarHBondContact O-CG 3.4Å; E680-Q684 PolarHBondContact O-N 3.46Å; N681-Q684 PolarHBondContact O-N 3.04Å; F682-Q684 VanDerWaalsContact C-N 3.35Å; Q684-L686 VanDerWaalsContact C-N 3.34Å; Q684-L686 PolarHBondContact O-N 2.96Å; Q684-Q687 PolarHBondContact O-N 3.04Å; Q684-A688 PolarHBondContact O-N 2.67Å
685	L	96.6	Very high	95.1	Very high	15 Å²	15	73.5 Å²	73.5	8%	0.079	36%	0.364	C	S	.	.	H	α-helix	trans	-61.1	-40.6	176.7	179.6	63.4	0	0	0	112.4	F629 I648 I665 N681 F682 K683 P689	F629-L685 HydrophobicContact CD1-CD2 4.28Å; F629-L685 HydrophobicContact CD2-CD2 3.92Å; F629-L685 HydrophobicContact CE1-CB 4.34Å; F629-L685 HydrophobicContact CE1-CD2 3.96Å; F629-L685 HydrophobicContact CE2-CD2 3.57Å; F629-L685 HydrophobicContact CG-CD2 4.28Å; F629-L685 HydrophobicContact CZ-CD2 3.62Å; I648-L685 HydrophobicContact CD1-CG 3.95Å; I648-L685 WeakPolarHBondContact CD1-O 3.46Å; I665-L685 HydrophobicContact CD1-CD2 4.03Å; N681-L685 PolarHBondContact O-N 3.06Å; F682-L685 HydrophobicContact CD2-CD2 4.31Å; F682-L685 WeakPolarHBondContact O-CB 3.43Å; F682-L685 PolarHBondContact O-N 3.37Å; K683-L685 VanDerWaalsContact C-N 3.35Å; K683-L685 PolarHBondContact O-N 2.9Å; L685-P689 WeakPolarHBondContact O-CD 2.95Å
686	L	96.7	Very high	95	Very high	19 Å²	19	68 Å²	68	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-69.9	-32.4	176.1	-68.6	173.1	0	0	0	112.5	I648 I665 R669 Q674 F682 K683 Q684	I648-L686 HydrophobicContact CD1-CD2 3.81Å; I665-L686 HydrophobicContact CG2-CD2 4.05Å; R669-L686 HydrophobicContact CG-CD1 4.21Å; R669-L686 HydrophobicContact CG-CD2 4.48Å; Q674-L686 HydrophobicContact CB-CD1 3.82Å; Q674-L686 HydrophobicContact CG-CD1 4.09Å; F682-L686 HydrophobicContact CD1-CD1 4.19Å; F682-L686 HydrophobicContact CE1-CD1 3.74Å; F682-L686 HydrophobicContact CE1-CG 4.38Å; F682-L686 HydrophobicContact CE2-CD1 4.45Å; F682-L686 HydrophobicContact CE2-CD2 4.32Å; F682-L686 HydrophobicContact CE2-CG 4.22Å; F682-L686 HydrophobicContact CZ-CD1 3.89Å; F682-L686 HydrophobicContact CZ-CD2 4.15Å; F682-L686 HydrophobicContact CZ-CG 4.1Å; F682-L686 WeakPolarHBondContact O-CG 3.42Å; F682-L686 PolarHBondContact O-N 3.15Å; K683-L686 PolarHBondContact O-N 2.96Å; Q684-L686 VanDerWaalsContact C-N 3.34Å; Q684-L686 PolarHBondContact O-N 2.96Å
687	Q	96.4	Very high	94.7	Very high	87 Å²	87	64.8 Å²	64.8	41%	0.407	32%	0.323	S	S	.	.	H	α-helix	trans	-79.3	-36.4	-177.3	-169.5	60.4	45.6	0	0	113.2	K683 Q684 L690 D691	K683-Q687 WeakPolarHBondContact O-CB 3.47Å; K683-Q687 PolarHBondContact O-N 3.2Å; Q684-Q687 PolarHBondContact O-N 3.04Å; Q687-L690 WeakPolarHBondContact O-CA 3.22Å; Q687-L690 VanDerWaalsContact O-CB 3.27Å; Q687-L690 WeakPolarHBondContact O-CB 3.44Å; Q687-L690 PolarHBondContact O-N 3.44Å; Q687-D691 PolarHBondContact NE2-OD1 2.94Å; Q687-D691 PolarHBondContact O-N 2.54Å
688	A	96.3	Very high	94.3	Very high	32 Å²	32	65.7 Å²	65.7	26%	0.264	32%	0.318	S	S	.	.	H	α-helix	trans	-50.5	-51.5	-177.4	0	0	0	0	0	115	Y627 Q684 L690 D691 D692	Y627-A688 HydrophobicContact CD1-CB 3.86Å; Y627-A688 HydrophobicContact CE1-CB 4.04Å; Q684-A688 PolarHBondContact O-N 2.67Å; A688-L690 PolarHBondContact O-N 3.29Å; A688-D691 PolarHBondContact O-N 3.35Å; A688-D692 PolarHBondContact O-N 3.34Å; A688-D692 VanDerWaalsContact O-N 3.17Å
689	P	96.3	Very high	94	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-23.1	178.1	27.7	-35.6	0	0	0	113.2	Y627 I648 L650 I659 L685 A693	Y627-P689 HydrophobicContact CD1-CB 4.3Å; Y627-P689 HydrophobicContact CD2-CB 4.05Å; Y627-P689 HydrophobicContact CE1-CB 4.07Å; Y627-P689 HydrophobicContact CE2-CB 3.84Å; Y627-P689 HydrophobicContact CG-CB 4.32Å; I648-P689 HydrophobicContact CG2-CB 4.44Å; I648-P689 HydrophobicContact CG2-CG 3.93Å; L650-P689 HydrophobicContact CB-CB 4.43Å; I659-P689 HydrophobicContact CD1-CB 4.1Å; I659-P689 HydrophobicContact CG1-CB 4.45Å; I659-P689 HydrophobicContact CG2-CG 4.49Å; L685-P689 WeakPolarHBondContact O-CD 2.95Å; P689-A693 WeakPolarHBondContact O-CB 3.08Å; P689-A693 PolarHBondContact O-N 3.46Å
690	L	95.3	Very high	93.9	Very high	46 Å²	46	60.4 Å²	60.4	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-69.8	-45	173.8	-62.5	172.3	0	0	0	110.4	I659 Q687 A688 A693 Q694 Y706	I659-L690 HydrophobicContact CD1-CD2 3.6Å; I659-L690 HydrophobicContact CD1-CG 4.28Å; Q687-L690 WeakPolarHBondContact O-CA 3.22Å; Q687-L690 VanDerWaalsContact O-CB 3.27Å; Q687-L690 WeakPolarHBondContact O-CB 3.44Å; Q687-L690 PolarHBondContact O-N 3.44Å; A688-L690 PolarHBondContact O-N 3.29Å; L690-A693 PolarHBondContact O-N 3.35Å; L690-Q694 VanDerWaalsContact O-CG 3.3Å; L690-Q694 WeakPolarHBondContact O-CG 3.17Å; L690-Q694 PolarHBondContact O-N 3.31Å; L690-Y706 WeakPolarHBondContact CD2-OH 3.47Å
691	D	95.4	Very high	93.8	Very high	87 Å²	87	57.8 Å²	57.8	47%	0.465	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-46.9	-179.8	-66.1	-15.4	0	0	0	110.9	Q687 A688 A693 Q694 E695	Q687-D691 PolarHBondContact NE2-OD1 2.94Å; Q687-D691 PolarHBondContact O-N 2.54Å; A688-D691 PolarHBondContact O-N 3.35Å; D691-A693 VanDerWaalsContact C-N 3.34Å; D691-A693 PolarHBondContact O-N 2.94Å; D691-Q694 PolarHBondContact O-N 2.86Å; D691-Q694 VanDerWaalsContact O-N 3.15Å; D691-E695 PolarHBondContact O-N 2.85Å; D691-E695 VanDerWaalsContact O-N 3.16Å
692	D	94.8	Very high	93.8	Very high	59 Å²	59	54.1 Å²	54.1	32%	0.316	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-41.1	176.1	-67.2	-14.8	0	0	0	111.6	Y627 L650 A688 Q694 E695 I696	Y627-D692 VanDerWaalsContact CE1-OD2 3.31Å; Y627-D692 WeakPolarHBondContact CE1-OD2 3.2Å; Y627-D692 VanDerWaalsContact CZ-OD2 3.32Å; Y627-D692 PolarHBondContact OH-OD2 2.94Å; L650-D692 HydrophobicContact CD2-CB 3.94Å; A688-D692 PolarHBondContact O-N 3.34Å; A688-D692 VanDerWaalsContact O-N 3.17Å; D692-Q694 VanDerWaalsContact C-N 3.34Å; D692-Q694 PolarHBondContact O-N 2.84Å; D692-E695 PolarHBondContact O-N 2.94Å; D692-I696 PolarHBondContact O-N 3.16Å
693	A	94.4	Very high	93.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-37.3	175.5	0	0	0	0	0	112.2	L650 L657 I659 P689 L690 D691 I696 L697 Y706	L650-A693 HydrophobicContact CD1-CB 4.1Å; L657-A693 HydrophobicContact CD1-CB 4.29Å; I659-A693 HydrophobicContact CD1-CB 4.36Å; P689-A693 WeakPolarHBondContact O-CB 3.08Å; P689-A693 PolarHBondContact O-N 3.46Å; L690-A693 PolarHBondContact O-N 3.35Å; D691-A693 VanDerWaalsContact C-N 3.34Å; D691-A693 PolarHBondContact O-N 2.94Å; A693-I696 PolarHBondContact O-N 2.99Å; A693-L697 WeakPolarHBondContact O-CB 3.47Å; A693-L697 WeakPolarHBondContact O-CG 3.39Å; A693-L697 PolarHBondContact O-N 2.86Å; A693-Y706 HydrophobicContact CB-CE2 4.21Å
694	Q	92.4	Very high	93.6	Very high	90 Å²	90	50.4 Å²	50.4	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-38.4	177.7	-72.9	-58.6	-36.9	0	0	112.3	L690 D691 D692 I696 L697 Q698	L690-Q694 VanDerWaalsContact O-CG 3.3Å; L690-Q694 WeakPolarHBondContact O-CG 3.17Å; L690-Q694 PolarHBondContact O-N 3.31Å; D691-Q694 PolarHBondContact O-N 2.86Å; D691-Q694 VanDerWaalsContact O-N 3.15Å; D692-Q694 VanDerWaalsContact C-N 3.34Å; D692-Q694 PolarHBondContact O-N 2.84Å; Q694-I696 PolarHBondContact O-N 2.93Å; Q694-L697 PolarHBondContact O-N 3.21Å; Q694-Q698 VanDerWaalsContact O-CG 3.28Å; Q694-Q698 WeakPolarHBondContact O-CG 3.31Å; Q694-Q698 PolarHBondContact O-N 2.86Å
695	E	91.9	Very high	93.5	Very high	133 Å²	133	49.4 Å²	49.4	62%	0.621	25%	0.247	S	C	*	.	H	α-helix	trans	-60.3	-45.9	176.4	-173	178.2	179.6	0	0	111.5	D691 D692 Q698 T699	D691-E695 PolarHBondContact O-N 2.85Å; D691-E695 VanDerWaalsContact O-N 3.16Å; D692-E695 PolarHBondContact O-N 2.94Å; E695-Q698 PolarHBondContact O-N 3.46Å; E695-T699 PolarHBondContact O-N 3.19Å; E695-T699 PolarHBondContact O-OG1 2.92Å
696	I	92.3	Very high	93.4	Very high	36 Å²	36	52.5 Å²	52.5	19%	0.185	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-42.9	176.2	-58.9	169.5	0	0	0	110.5	L657 D692 A693 Q694 Q698 T699 R700	L657-I696 HydrophobicContact CD1-CB 4.02Å; L657-I696 HydrophobicContact CD1-CG2 3.99Å; L657-I696 HydrophobicContact CD2-CD1 4.18Å; L657-I696 HydrophobicContact CD2-CG2 4.13Å; D692-I696 PolarHBondContact O-N 3.16Å; A693-I696 PolarHBondContact O-N 2.99Å; Q694-I696 PolarHBondContact O-N 2.93Å; I696-Q698 PolarHBondContact O-N 3.18Å; I696-T699 PolarHBondContact O-N 2.78Å; I696-T699 PolarHBondContact O-OG1 3.19Å; I696-R700 WeakPolarHBondContact O-CB 3.31Å; I696-R700 PolarHBondContact O-N 2.78Å; I696-R700 VanDerWaalsContact O-N 3.14Å
697	L	90.1	Very high	93.3	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-34.4	179.3	-78.3	168.2	0	0	0	112	R389 L657 A693 Q694 M703 P704 Y706	R389-L697 PolarHBondContact NH1-O 2.88Å; R389-L697 PolarHBondContact NH2-O 3.42Å; L657-L697 HydrophobicContact CD1-CD2 3.94Å; L657-L697 HydrophobicContact CD1-CG 3.71Å; A693-L697 WeakPolarHBondContact O-CB 3.47Å; A693-L697 WeakPolarHBondContact O-CG 3.39Å; A693-L697 PolarHBondContact O-N 2.86Å; Q694-L697 PolarHBondContact O-N 3.21Å; L697-M703 HydrophobicContact CB-CE 4.47Å; L697-M703 HydrophobicContact CD2-CE 3.76Å; L697-M703 HydrophobicContact CD2-CG 4.06Å; L697-P704 HydrophobicContact CD2-CG 3.72Å; L697-Y706 HydrophobicContact CD1-CD2 3.98Å; L697-Y706 HydrophobicContact CD1-CG 4.42Å
698	Q	86.4	Confident	93.3	Very high	132 Å²	132	50.1 Å²	50.1	62%	0.617	25%	0.248	S	C	*	.	H	α-helix	trans	-74.7	-33.8	-177.2	-74.6	174.3	22	0	0	113.6	Q694 E695 I696	Q694-Q698 VanDerWaalsContact O-CG 3.28Å; Q694-Q698 WeakPolarHBondContact O-CG 3.31Å; Q694-Q698 PolarHBondContact O-N 2.86Å; E695-Q698 PolarHBondContact O-N 3.46Å; I696-Q698 PolarHBondContact O-N 3.18Å
699	T	86.6	Confident	93.3	Very high	111 Å²	111	49.1 Å²	49.1	68%	0.681	24%	0.239	S	C	*	.	H	α-helix	trans	-97.3	-33.7	-169.5	55.6	0	0	0	0	113.3	E695 I696	E695-T699 PolarHBondContact O-N 3.19Å; E695-T699 PolarHBondContact O-OG1 2.92Å; I696-T699 PolarHBondContact O-N 2.78Å; I696-T699 PolarHBondContact O-OG1 3.19Å
700	R	93.6	Very high	93.3	Very high	19 Å²	19	51.3 Å²	51.3	7%	0.072	25%	0.249	C	C	.	.			trans	-70.6	139.3	-172.6	-170.8	171.8	-71.6	150.6	2.6	112.8	R389 D652 F654 I696 P702	R389-R700 PolarHBondContact NH1-O 3.26Å; D652-R700 VanDerWaalsContact CG-NH1 3.35Å; D652-R700 IonicContact OD1-CZ 3.37Å; D652-R700 IonicContact OD1-NH1 2.71Å; D652-R700 PolarHBondContact OD1-NH1 3.2Å; D652-R700 IonicContact OD1-NH2 3.66Å; D652-R700 PolarHBondContact OD1-NH2 3.12Å; D652-R700 IonicContact OD2-CZ 2.68Å; D652-R700 IonicContact OD2-NH1 3.5Å; D652-R700 PolarHBondContact OD2-NH1 3.22Å; D652-R700 IonicContact OD2-NH2 2.72Å; D652-R700 PolarHBondContact OD2-NH2 3.5Å; F654-R700 HydrophobicContact CD2-CG 4.5Å; F654-R700 HydrophobicContact CE2-CG 4.04Å; F654-R700 HydrophobicContact CZ-CG 4.31Å; F654-R700 WeakPolarHBondContact O-CD 3.47Å; F654-R700 PolarHBondContact O-NH1 2.74Å; F654-R700 VanDerWaalsContact O-NH1 3.14Å; I696-R700 WeakPolarHBondContact O-CB 3.31Å; I696-R700 PolarHBondContact O-N 2.78Å; I696-R700 VanDerWaalsContact O-N 3.14Å; R700-P702 WeakPolarHBondContact CG-O 3.38Å; R700-P702 CarbonylContact O-C 3.51Å
701	F	92.9	Very high	93.2	Very high	37 Å²	37	53.5 Å²	53.5	16%	0.162	26%	0.258	C	S	.	.	S	Bend	trans	-121.2	127.6	166.7	-179.9	-90.5	0	0	0	110.3	H371 V373 T386 R389 V390 Q611	H371-F701 HydrophobicContact CB-CE1 4.29Å; H371-F701 HydrophobicContact CB-CZ 4.02Å; H371-F701 AromaticContact CD2-CZ 3.65Å; H371-F701 AromaticContact CE1-CE1 3.72Å; H371-F701 AromaticContact CG-CE1 3.71Å; H371-F701 AromaticContact CG-CZ 3.57Å; H371-F701 AromaticContact ND1-CE1 3.46Å; H371-F701 WeakPolarHBondContact ND1-CE1 3.36Å; H371-F701 AromaticContact ND1-CZ 3.81Å; V373-F701 HydrophobicContact CG2-CZ 4.45Å; T386-F701 HydrophobicContact CG2-CD2 4.24Å; T386-F701 HydrophobicContact CG2-CE2 3.78Å; T386-F701 HydrophobicContact CG2-CZ 4.5Å; R389-F701 HydrophobicContact CB-CD2 4.11Å; V390-F701 HydrophobicContact CG2-CE2 3.75Å; V390-F701 HydrophobicContact CG2-CZ 4.1Å; Q611-F701 PolarHBondContact NE2-O 2.87Å
702	P	93.3	Very high	92.9	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.026	27%	0.273	C	S	.	.	S	Bend	cis	-69.1	165.2	-7.5	30.3	-33.7	0	0	0	111.5	T386 Y603 H607 R700	T386-P702 HydrophobicContact CG2-CB 3.82Å; Y603-P702 WeakPolarHBondContact OH-CG 3.22Å; H607-P702 VanDerWaalsContact CE1-CD 3.42Å; H607-P702 WeakPolarHBondContact CE1-CD 3.43Å; R700-P702 WeakPolarHBondContact CG-O 3.38Å; R700-P702 CarbonylContact O-C 3.51Å
703	M	93.8	Very high	92.8	Very high	21 Å²	21	51.2 Å²	51.2	10%	0.103	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-62	130.2	174.5	-174.7	178.1	179.6	0	0	109.1	L382 Q385 T386 L697	L382-M703 HydrophobicContact CD1-CB 3.99Å; L382-M703 HydrophobicContact CD1-CG 4.02Å; L382-M703 WeakPolarHBondContact CD1-O 3.36Å; L382-M703 HydrophobicContact CD1-SD 4.39Å; Q385-M703 HydrophobicContact CB-SD 3.76Å; Q385-M703 HydrophobicContact CG-SD 4.29Å; T386-M703 VanDerWaalsContact OG1-CB 3.22Å; T386-M703 WeakPolarHBondContact OG1-CB 3.46Å; T386-M703 PolarHBondContact OG1-N 3.4Å; L697-M703 HydrophobicContact CB-CE 4.47Å; L697-M703 HydrophobicContact CD2-CE 3.76Å; L697-M703 HydrophobicContact CD2-CG 4.06Å
704	P	94.6	Very high	92.7	Very high	2 Å²	2	56 Å²	56	1%	0.013	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-72.2	153.4	177	24.7	-29.5	0	0	0	111.5	F654 F655 L657 L697 Y706	F654-P704 WeakPolarHBondContact O-CB 3.45Å; F655-P704 CarbonylContact O-C 3.34Å; F655-P704 VanDerWaalsContact O-CA 3.31Å; F655-P704 WeakPolarHBondContact O-CA 3.42Å; F655-P704 WeakPolarHBondContact O-CB 3.41Å; L657-P704 HydrophobicContact CD1-CG 3.81Å; L657-P704 HydrophobicContact CG-CB 4.18Å; L657-P704 HydrophobicContact CG-CG 3.86Å; L697-P704 HydrophobicContact CD2-CG 3.72Å; P704-Y706 PolarHBondContact O-N 2.84Å
705	R	93.4	Very high	92.6	Very high	101 Å²	101	55 Å²	55	38%	0.381	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.4	169	-176.5	-179.6	179.9	150.8	6.5	109.1	F655 Q656 L657 I707	F655-R705 PolarHBondContact O-N 2.89Å; Q656-R705 CarbonylContact C-O 3.56Å; Q656-R705 VanDerWaalsContact CA-O 3.26Å; Q656-R705 WeakPolarHBondContact CA-O 3.43Å; Q656-R705 HydrophobicContact CG-CB 4.32Å; L657-R705 PolarHBondContact N-O 3.33Å; R705-I707 HydrophobicContact CG-CG1 4.25Å
706	Y	93.9	Very high	92.7	Very high	80 Å²	80	49 Å²	49	31%	0.314	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134	176.3	177.8	-95.7	0	0	0	111.1	I659 L690 A693 L697 P704 D708	I659-Y706 HydrophobicContact CD1-CE2 3.99Å; I659-Y706 WeakPolarHBondContact CD1-OH 3.43Å; I659-Y706 HydrophobicContact CG1-CE2 4.46Å; L690-Y706 WeakPolarHBondContact CD2-OH 3.47Å; A693-Y706 HydrophobicContact CB-CE2 4.21Å; L697-Y706 HydrophobicContact CD1-CD2 3.98Å; L697-Y706 HydrophobicContact CD1-CG 4.42Å; P704-Y706 PolarHBondContact O-N 2.84Å; Y706-D708 HydrophobicContact CE1-CB 4.15Å
707	I	95.2	Very high	92.6	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	120.1	-176	-62.8	177.8	0	0	0	108.8	L657 V658 I659 R705 T709 Q715 F718	L657-I707 PolarHBondContact O-N 2.92Å; V658-I707 CarbonylContact C-O 3.58Å; V658-I707 WeakPolarHBondContact CA-O 3.48Å; V658-I707 HydrophobicContact CB-CB 4.49Å; V658-I707 HydrophobicContact CG1-CB 4.4Å; V658-I707 HydrophobicContact CG1-CG2 4.03Å; V658-I707 HydrophobicContact CG2-CB 4.15Å; V658-I707 HydrophobicContact CG2-CD1 4.2Å; V658-I707 HydrophobicContact CG2-CG2 4.45Å; I659-I707 PolarHBondContact N-O 3.13Å; R705-I707 HydrophobicContact CG-CG1 4.25Å; I707-T709 HydrophobicContact CG2-CG2 4.31Å; I707-Q715 HydrophobicContact CG2-CB 3.98Å; I707-F718 HydrophobicContact CD1-CB 4.46Å; I707-F718 HydrophobicContact CD1-CD2 3.51Å; I707-F718 HydrophobicContact CD1-CE2 3.8Å; I707-F718 HydrophobicContact CD1-CG 3.98Å; I707-F718 HydrophobicContact CD1-CZ 4.48Å
708	D	96.1	Very high	92.6	Very high	56 Å²	56	56.8 Å²	56.8	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119	168.5	178.4	-16	0	0	0	107.4	H661 R669 Y706	H661-D708 IonicContact CD2-OD1 2.9Å; H661-D708 PolarHBondContact CD2-OD1 3.47Å; H661-D708 IonicContact NE2-OD1 3.44Å; H661-D708 PolarHBondContact NE2-OD1 3.13Å; R669-D708 IonicContact CZ-OD2 3.69Å; R669-D708 IonicContact NH1-OD1 3.58Å; R669-D708 PolarHBondContact NH1-OD1 3.2Å; R669-D708 IonicContact NH1-OD2 3.39Å; R669-D708 PolarHBondContact NH1-OD2 3.41Å; R669-D708 IonicContact NH2-OD2 2.81Å; R669-D708 PolarHBondContact NH2-OD2 3.22Å; Y706-D708 HydrophobicContact CE1-CB 4.15Å
709	T	97	Very high	92.9	Very high	10 Å²	10	50.6 Å²	50.6	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	169.3	-178.3	-171.7	0	0	0	0	110.7	V658 I659 Y660 H661 I707 A716	V658-T709 HydrophobicContact CG1-CG2 3.94Å; I659-T709 PolarHBondContact O-N 3.13Å; I659-T709 VanDerWaalsContact O-O 3.12Å; Y660-T709 CarbonylContact C-O 3.57Å; Y660-T709 VanDerWaalsContact CA-O 3.31Å; Y660-T709 WeakPolarHBondContact CA-O 3.34Å; Y660-T709 HydrophobicContact CD2-CG2 4.25Å; H661-T709 PolarHBondContact CD2-O 3.37Å; H661-T709 PolarHBondContact N-O 3.14Å; I707-T709 HydrophobicContact CG2-CG2 4.31Å; T709-A716 HydrophobicContact CG2-CB 4.36Å; T709-A716 PolarHBondContact OG1-N 3.35Å
710	E	96	Very high	93	Very high	46 Å²	46	48.5 Å²	48.5	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	173.5	-176.5	56.3	-178	-167.8	0	0	110.9	H661 A666 K670 G712 G713	H661-E710 HydrophobicContact CB-CB 4.05Å; H661-E710 CarbonylContact O-C 3.58Å; H661-E710 WeakPolarHBondContact O-CA 3.17Å; A666-E710 HydrophobicContact CB-CB 3.9Å; K670-E710 WeakPolarHBondContact CE-OE1 3.22Å; K670-E710 WeakPolarHBondContact CE-OE2 3.4Å; K670-E710 VanDerWaalsContact NZ-CD 3.33Å; K670-E710 IonicContact NZ-OE1 3.83Å; K670-E710 PolarHBondContact NZ-OE1 3.25Å; K670-E710 IonicContact NZ-OE2 2.67Å; K670-E710 PolarHBondContact NZ-OE2 2.95Å; E710-G712 PolarHBondContact O-N 3.24Å; E710-G713 PolarHBondContact O-N 3.35Å
711	H	93.2	Very high	92.6	Very high	92 Å²	92	51.2 Å²	51.2	43%	0.426	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	129.4	170.7	-174.4	72.6	0	0	0	111.5	Y660 H661 E663 G713	Y660-H711 WeakPolarHBondContact OH-CA 3.38Å; Y660-H711 WeakPolarHBondContact OH-CB 3.49Å; Y660-H711 PolarHBondContact OH-ND1 3.21Å; H661-H711 PolarHBondContact O-N 3.25Å; E663-H711 HydrophobicContact CB-CB 4.05Å; H711-G713 PolarHBondContact O-N 3Å
712	G	89.8	Confident	92.3	Very high	75 Å²	75	52.5 Å²	52.5	77%	0.773	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-5.6	-175.3	0	0	0	0	0	115.3	E710	E710-G712 PolarHBondContact O-N 3.24Å
713	G	92.3	Very high	92	Very high	23 Å²	23	52.3 Å²	52.3	24%	0.237	28%	0.28	C	S	.	.			trans	-70.4	143.4	176.8	0	0	0	0	0	113.1	E710 H711 Q715 A716	E710-G713 PolarHBondContact O-N 3.35Å; H711-G713 PolarHBondContact O-N 3Å; G713-Q715 VanDerWaalsContact C-N 3.26Å; G713-Q715 PolarHBondContact O-N 3.29Å; G713-A716 VanDerWaalsContact O-CB 3.25Å; G713-A716 WeakPolarHBondContact O-CB 3.25Å; G713-A716 PolarHBondContact O-N 3.46Å; G713-A716 VanDerWaalsContact O-N 3.12Å
714	S	91.1	Very high	91.5	Very high	101 Å²	101	51.7 Å²	51.7	71%	0.706	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-63.6	-29.7	-178.4	63.2	0	0	0	0	113.5	A716 R717	S714-A716 VanDerWaalsContact C-N 3.34Å; S714-R717 WeakPolarHBondContact O-CD 3.44Å; S714-R717 WeakPolarHBondContact O-CG 3.21Å
715	Q	92.3	Very high	90.8	Very high	70 Å²	70	51.8 Å²	51.8	33%	0.327	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-82.6	-8.7	179	-63.8	-169	-1.2	0	0	113.3	I707 G713 R717 F718	I707-Q715 HydrophobicContact CG2-CB 3.98Å; G713-Q715 VanDerWaalsContact C-N 3.26Å; G713-Q715 PolarHBondContact O-N 3.29Å; Q715-R717 PolarHBondContact O-N 2.86Å; Q715-F718 HydrophobicContact CB-CD2 4.23Å; Q715-F718 HydrophobicContact CB-CE2 4.44Å; Q715-F718 HydrophobicContact CG-CE2 4.47Å; Q715-F718 VanDerWaalsContact O-CD2 3.27Å; Q715-F718 WeakPolarHBondContact O-CD2 3.28Å; Q715-F718 PolarHBondContact O-N 3.24Å; Q715-F718 VanDerWaalsContact O-N 3.09Å
716	A	92.1	Very high	89.9	Confident	6 Å²	6	48.8 Å²	48.8	5%	0.05	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-59.9	-20.2	172.6	0	0	0	0	0	112.6	Y660 T709 G713 S714 F718 L719 L720	Y660-A716 HydrophobicContact CD2-CB 4.19Å; Y660-A716 HydrophobicContact CE2-CB 4.08Å; T709-A716 HydrophobicContact CG2-CB 4.36Å; T709-A716 PolarHBondContact OG1-N 3.35Å; G713-A716 VanDerWaalsContact O-CB 3.25Å; G713-A716 WeakPolarHBondContact O-CB 3.25Å; G713-A716 PolarHBondContact O-N 3.46Å; G713-A716 VanDerWaalsContact O-N 3.12Å; S714-A716 VanDerWaalsContact C-N 3.34Å; A716-F718 PolarHBondContact O-N 3.44Å; A716-F718 VanDerWaalsContact O-N 3.13Å; A716-L719 WeakPolarHBondContact O-CB 3.42Å; A716-L719 PolarHBondContact O-N 3.31Å; A716-L720 WeakPolarHBondContact O-CG 3.2Å; A716-L720 PolarHBondContact O-N 2.96Å
717	R	90.4	Very high	88.6	Confident	167 Å²	167	46.7 Å²	46.7	63%	0.63	27%	0.265	S	S	*	.	H	α-helix	trans	-53.5	-30.4	172.7	72.5	-174.7	-177.4	178.1	-0.6	113.8	S714 Q715 L720 S721	S714-R717 WeakPolarHBondContact O-CD 3.44Å; S714-R717 WeakPolarHBondContact O-CG 3.21Å; Q715-R717 PolarHBondContact O-N 2.86Å; R717-L720 PolarHBondContact O-N 3.45Å; R717-S721 VanDerWaalsContact O-CB 3.3Å; R717-S721 WeakPolarHBondContact O-CB 3.36Å; R717-S721 PolarHBondContact O-N 3.02Å; R717-S721 PolarHBondContact O-OG 3.47Å; R717-S721 VanDerWaalsContact O-OG 3.07Å
718	F	90.6	Very high	87.2	Confident	39 Å²	39	47.3 Å²	47.3	17%	0.171	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-39.9	178.3	-70.2	-68	0	0	0	111.4	Q656 V658 I707 Q715 A716 S721 K722	Q656-F718 VanDerWaalsContact OE1-CD1 3.25Å; V658-F718 HydrophobicContact CG2-CB 4.2Å; I707-F718 HydrophobicContact CD1-CB 4.46Å; I707-F718 HydrophobicContact CD1-CD2 3.51Å; I707-F718 HydrophobicContact CD1-CE2 3.8Å; I707-F718 HydrophobicContact CD1-CG 3.98Å; I707-F718 HydrophobicContact CD1-CZ 4.48Å; Q715-F718 HydrophobicContact CB-CD2 4.23Å; Q715-F718 HydrophobicContact CB-CE2 4.44Å; Q715-F718 HydrophobicContact CG-CE2 4.47Å; Q715-F718 VanDerWaalsContact O-CD2 3.27Å; Q715-F718 WeakPolarHBondContact O-CD2 3.28Å; Q715-F718 PolarHBondContact O-N 3.24Å; Q715-F718 VanDerWaalsContact O-N 3.09Å; A716-F718 PolarHBondContact O-N 3.44Å; A716-F718 VanDerWaalsContact O-N 3.13Å; F718-S721 PolarHBondContact O-OG 3Å; F718-K722 WeakPolarHBondContact O-CG 3.44Å
719	L	92.2	Very high	85.7	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-66.6	-58.3	169.6	176.3	62.7	0	0	0	110.3	L624 I643 L649 M651 Y660 A716 S721 K722 V723	L624-L719 HydrophobicContact CD1-CD1 3.95Å; I643-L719 HydrophobicContact CD1-CD2 4.27Å; I643-L719 HydrophobicContact CD1-CG 4.49Å; L649-L719 HydrophobicContact CD1-CD2 4.07Å; M651-L719 HydrophobicContact CB-CD1 4.14Å; M651-L719 HydrophobicContact CE-CB 4.25Å; M651-L719 HydrophobicContact CE-CD1 4.22Å; M651-L719 HydrophobicContact CG-CD1 4.32Å; M651-L719 HydrophobicContact SD-CD1 3.59Å; M651-L719 VanDerWaalsContact SD-CD1 3.59Å; Y660-L719 HydrophobicContact CD1-CD2 4.07Å; Y660-L719 HydrophobicContact CD2-CD2 4Å; Y660-L719 HydrophobicContact CG-CD2 3.66Å; A716-L719 WeakPolarHBondContact O-CB 3.42Å; A716-L719 PolarHBondContact O-N 3.31Å; L719-S721 PolarHBondContact O-N 3.02Å; L719-S721 VanDerWaalsContact O-N 3.07Å; L719-K722 PolarHBondContact O-N 3.28Å; L719-V723 HydrophobicContact CD1-CG2 3.65Å; L719-V723 HydrophobicContact CG-CG2 4.01Å; L719-V723 WeakPolarHBondContact O-CG2 3.39Å; L719-V723 PolarHBondContact O-N 3.5Å
720	L	88.6	Confident	83.9	Confident	66 Å²	66	53.1 Å²	53.1	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-57.9	-31.7	-171.2	-62.7	174.5	0	0	0	114	I643 A716 R717 K722	I643-L720 HydrophobicContact CD1-CD2 3.67Å; A716-L720 WeakPolarHBondContact O-CG 3.2Å; A716-L720 PolarHBondContact O-N 2.96Å; R717-L720 PolarHBondContact O-N 3.45Å; L720-K722 VanDerWaalsContact C-N 3.3Å; L720-K722 PolarHBondContact O-N 3.48Å
721	S	86	Confident	82.5	Confident	76 Å²	76	55.9 Å²	55.9	53%	0.531	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-18	177.1	67.9	0	0	0	0	114.7	R717 F718 L719	R717-S721 VanDerWaalsContact O-CB 3.3Å; R717-S721 WeakPolarHBondContact O-CB 3.36Å; R717-S721 PolarHBondContact O-N 3.02Å; R717-S721 PolarHBondContact O-OG 3.47Å; R717-S721 VanDerWaalsContact O-OG 3.07Å; F718-S721 PolarHBondContact O-OG 3Å; L719-S721 PolarHBondContact O-N 3.02Å; L719-S721 VanDerWaalsContact O-N 3.07Å
722	K	87.3	Confident	80.6	Confident	64 Å²	64	55.8 Å²	55.8	28%	0.278	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-25.9	-179.1	-61.9	-60.6	-179.1	-178.7	0	112.9	L638 M651 T653 F718 L719 L720	L638-K722 WeakPolarHBondContact CD2-O 3.27Å; M651-K722 HydrophobicContact CE-CG 4.41Å; M651-K722 HydrophobicContact SD-CB 3.94Å; M651-K722 HydrophobicContact SD-CG 4.22Å; T653-K722 HydrophobicContact CG2-CG 4.47Å; F718-K722 WeakPolarHBondContact O-CG 3.44Å; L719-K722 PolarHBondContact O-N 3.28Å; L720-K722 VanDerWaalsContact C-N 3.3Å; L720-K722 PolarHBondContact O-N 3.48Å
723	V	86.2	Confident	78.9	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.006	32%	0.318	C	S	.	.	S	Bend	trans	-70.9	142.5	-177.7	179.9	0	0	0	0	111.6	L638 D639 I643 L719 P725 I743	L638-V723 HydrophobicContact CD1-CG2 4.36Å; D639-V723 WeakPolarHBondContact O-CG1 3.19Å; I643-V723 HydrophobicContact CD1-CG1 4.48Å; I643-V723 HydrophobicContact CD1-CG2 4.35Å; L719-V723 HydrophobicContact CD1-CG2 3.65Å; L719-V723 HydrophobicContact CG-CG2 4.01Å; L719-V723 WeakPolarHBondContact O-CG2 3.39Å; L719-V723 PolarHBondContact O-N 3.5Å; V723-P725 WeakPolarHBondContact O-CD 3.44Å; V723-I743 HydrophobicContact CB-CD1 3.8Å; V723-I743 HydrophobicContact CG1-CD1 3.73Å
724	N	83.2	Confident	76.9	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.043	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-65	125.6	172.1	177.8	46.8	0	0	0	110.7	L638 D639 S640 S726 S749 L750	L638-N724 WeakPolarHBondContact O-CB 3.47Å; L638-N724 PolarHBondContact O-N 3.46Å; D639-N724 HydrophobicContact CB-CB 4.49Å; D639-N724 PolarHBondContact OD2-ND2 3.43Å; S640-N724 PolarHBondContact N-O 2.83Å; S640-N724 PolarHBondContact OG-O 3.36Å; N724-S726 PolarHBondContact O-N 3.31Å; N724-S749 WeakPolarHBondContact OD1-CA 3.4Å; N724-L750 PolarHBondContact OD1-N 3.25Å
725	P	80.3	Confident	74.1	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.019	35%	0.351	C	S	.	.			trans	-80.1	66.7	178.5	35.6	-38.3	0	0	0	111.2	V723 Q727 T728 I743 T745 D747 S749	V723-P725 WeakPolarHBondContact O-CD 3.44Å; P725-Q727 PolarHBondContact O-N 3.18Å; P725-T728 HydrophobicContact CB-CG2 3.73Å; P725-I743 HydrophobicContact CB-CB 3.95Å; P725-I743 HydrophobicContact CB-CD1 4.31Å; P725-I743 HydrophobicContact CB-CG2 4.2Å; P725-T745 HydrophobicContact CB-CG2 3.4Å; P725-T745 HydrophobicContact CG-CG2 3.62Å; P725-D747 HydrophobicContact CG-CB 4.28Å; P725-S749 WeakPolarHBondContact O-CB 3.47Å
726	S	74.9	Confident	71.9	Confident	39 Å²	39	72.5 Å²	72.5	27%	0.273	37%	0.367	S	S	.	.	S	Bend	trans	-64.6	-33.4	172.2	58.4	0	0	0	0	111.5	D639 S640 N724	D639-S726 VanDerWaalsContact CG-OG 3.22Å; D639-S726 WeakPolarHBondContact OD1-CB 3.38Å; D639-S726 PolarHBondContact OD1-OG 3.33Å; D639-S726 VanDerWaalsContact OD2-CB 3.22Å; D639-S726 WeakPolarHBondContact OD2-CB 3.31Å; D639-S726 PolarHBondContact OD2-OG 3.39Å; S640-S726 PolarHBondContact OG-N 3.06Å; S640-S726 PolarHBondContact OG-OG 3.43Å; N724-S726 PolarHBondContact O-N 3.31Å
727	Q	65.8	Low	69.5	Low	35 Å²	35	81.7 Å²	81.7	16%	0.164	41%	0.409	C	S	.	.	S	Bend	trans	-113.2	118.6	174.1	-58.8	-173.6	7.1	0	0	109.4	S640 P725 E738 G740 P742 I743	S640-Q727 PolarHBondContact OG-N 3.17Å; P725-Q727 PolarHBondContact O-N 3.18Å; Q727-E738 PolarHBondContact NE2-O 2.98Å; Q727-G740 PolarHBondContact OE1-O 3.19Å; Q727-P742 WeakPolarHBondContact O-CA 3.48Å; Q727-I743 PolarHBondContact O-N 3.29Å
728	T	66.8	Low	67.4	Low	14 Å²	14	80.2 Å²	80.2	9%	0.086	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-124.8	165.6	177.2	60.6	0	0	0	0	110.9	P725 N730 N731 L732 I743	P725-T728 HydrophobicContact CB-CG2 3.73Å; T728-N730 PolarHBondContact O-N 2.81Å; T728-N730 VanDerWaalsContact O-N 3.12Å; T728-N731 PolarHBondContact O-N 2.95Å; T728-N731 VanDerWaalsContact O-N 3.08Å; T728-L732 PolarHBondContact O-N 3.2Å; T728-L732 VanDerWaalsContact O-N 3.15Å; T728-I743 WeakPolarHBondContact CA-O 3.35Å
729	H	63	Low	65.7	Low	81 Å²	81	83.6 Å²	83.6	38%	0.375	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27	172.1	63.2	-76.8	0	0	0	113.6	L744	H729-L744 HydrophobicContact CB-CD2 3.79Å
730	N	61	Low	64.1	Low	107 Å²	107	84.6 Å²	84.6	57%	0.572	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-27.4	179.3	-70.2	-32.4	0	0	0	113.5	T728	T728-N730 PolarHBondContact O-N 2.81Å; T728-N730 VanDerWaalsContact O-N 3.12Å
731	N	64.9	Low	62.8	Low	104 Å²	104	82.6 Å²	82.6	56%	0.556	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	8.2	-176.7	-67.6	-11.3	0	0	0	113.3	T728 Y733 A734	T728-N731 PolarHBondContact O-N 2.95Å; T728-N731 VanDerWaalsContact O-N 3.08Å; N731-Y733 PolarHBondContact O-N 3.28Å; N731-A734 PolarHBondContact O-N 3.18Å; N731-A734 VanDerWaalsContact O-N 3.11Å
732	L	54.8	Low	61.9	Low	90 Å²	90	82.2 Å²	82.2	47%	0.471	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20	-175.6	-146.7	83.7	0	0	0	114.3	T728 P742	T728-L732 PolarHBondContact O-N 3.2Å; T728-L732 VanDerWaalsContact O-N 3.15Å; L732-P742 HydrophobicContact CD1-CB 3.34Å; L732-P742 HydrophobicContact CD1-CG 3.73Å
733	Y	53.7	Low	61.1	Low	213 Å²	213	79.8 Å²	79.8	84%	0.835	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	11.4	-177.6	-63.6	-77.2	0	0	0	113.9	N731	N731-Y733 PolarHBondContact O-N 3.28Å
734	A	49.2	Very low	60.4	Low	74 Å²	74	86.8 Å²	86.8	61%	0.612	46%	0.459	S	S	*	.	S	Bend	trans	-72.2	132.1	172.5	0	0	0	0	0	110.4	N731 G736	N731-A734 PolarHBondContact O-N 3.18Å; N731-A734 VanDerWaalsContact O-N 3.11Å; A734-G736 PolarHBondContact O-N 2.98Å
735	W	33.3	Very low	59.6	Low	270 Å²	270	88 Å²	88	100%	1.023	47%	0.467	S	S	*	.	S	Bend	trans	-65.4	119.4	-172.5	-118.9	83.2	0	0	0	112.4
736	G	46.5	Very low	58.9	Low	64 Å²	64	94.7 Å²	94.7	66%	0.66	50%	0.502	S	S	*	.	S	Bend	trans	122	88.4	176.5	0	0	0	0	0	112.6	A734 E738	A734-G736 PolarHBondContact O-N 2.98Å; G736-E738 PolarHBondContact O-N 3.46Å
737	Q	40.2	Very low	58.7	Low	198 Å²	198	96.8 Å²	96.8	93%	0.925	51%	0.511	S	S	*	.			trans	-68.1	117.4	-174	-80	179.6	-36.6	0	0	113.1
738	E	47	Very low	59.4	Low	137 Å²	137	98.6 Å²	98.6	64%	0.64	52%	0.524	S	S	*	.			trans	-94.6	127.4	148.1	-75.9	-176	170.9	0	0	108	Q727 G736 G740	Q727-E738 PolarHBondContact NE2-O 2.98Å; G736-E738 PolarHBondContact O-N 3.46Å; E738-G740 PolarHBondContact O-N 3.29Å; E738-G740 VanDerWaalsContact O-N 3.15Å
739	T	55.1	Low	60.4	Low	110 Å²	110	98.8 Å²	98.8	68%	0.675	53%	0.526	S	S	*	.			trans	-74.5	98.6	179.6	46.9	0	0	0	0	110	L644	L644-T739 WeakPolarHBondContact CD2-O 3.32Å
740	G	59.1	Low	61.6	Low	23 Å²	23	96.6 Å²	96.6	24%	0.237	52%	0.517	C	S	.	.			trans	-148.8	167.2	177.8	0	0	0	0	0	112.5	Q727 E738	Q727-G740 PolarHBondContact OE1-O 3.19Å; E738-G740 PolarHBondContact O-N 3.29Å; E738-G740 VanDerWaalsContact O-N 3.15Å
741	A	61.5	Low	63	Low	24 Å²	24	96.7 Å²	96.7	20%	0.198	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-85.9	121.7	179.1	0	0	0	0	0	111	S640 I643 I743	S640-A741 WeakPolarHBondContact CB-O 3.5Å; S640-A741 PolarHBondContact O-N 3.18Å; I643-A741 HydrophobicContact CB-CB 3.96Å; I643-A741 HydrophobicContact CD1-CB 4.44Å; I643-A741 HydrophobicContact CG2-CB 3.86Å; A741-I743 PolarHBondContact O-N 2.85Å
742	P	66.5	Low	64.2	Low	67 Å²	67	95.6 Å²	95.6	44%	0.435	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-70.4	131.6	-178.6	28.5	-34.9	0	0	0	112	Q727 L732	Q727-P742 WeakPolarHBondContact O-CA 3.48Å; L732-P742 HydrophobicContact CD1-CB 3.34Å; L732-P742 HydrophobicContact CD1-CG 3.73Å
743	I	70.1	Confident	66	Low	14 Å²	14	92.3 Å²	92.3	7%	0.072	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	-92.7	127.8	177.7	-56.1	-176.1	0	0	0	109.6	V723 P725 Q727 T728 A741 T745	V723-I743 HydrophobicContact CB-CD1 3.8Å; V723-I743 HydrophobicContact CG1-CD1 3.73Å; P725-I743 HydrophobicContact CB-CB 3.95Å; P725-I743 HydrophobicContact CB-CD1 4.31Å; P725-I743 HydrophobicContact CB-CG2 4.2Å; Q727-I743 PolarHBondContact O-N 3.29Å; T728-I743 WeakPolarHBondContact CA-O 3.35Å; A741-I743 PolarHBondContact O-N 2.85Å; I743-T745 HydrophobicContact CB-CG2 4.46Å; I743-T745 HydrophobicContact CG2-CG2 3.75Å; I743-T745 PolarHBondContact O-N 2.54Å
744	L	71	Confident	67.9	Low	147 Å²	147	83.8 Å²	83.8	77%	0.77	46%	0.461	S	S	*	.			trans	-83.8	87.1	174.7	-62.8	174.6	0	0	0	109.6	H729	H729-L744 HydrophobicContact CB-CD2 3.79Å
745	T	67.3	Low	70	Confident	35 Å²	35	83.1 Å²	83.1	22%	0.215	45%	0.447	C	S	.	.			trans	-152	154.6	176.7	-172.9	0	0	0	0	111.4	P725 I743 D747	P725-T745 HydrophobicContact CB-CG2 3.4Å; P725-T745 HydrophobicContact CG-CG2 3.62Å; I743-T745 HydrophobicContact CB-CG2 4.46Å; I743-T745 HydrophobicContact CG2-CG2 3.75Å; I743-T745 PolarHBondContact O-N 2.54Å; T745-D747 HydrophobicContact CG2-CB 3.98Å; T745-D747 WeakPolarHBondContact OG1-CB 3.48Å; T745-D747 PolarHBondContact OG1-N 2.98Å; T745-D747 VanDerWaalsContact OG1-N 3.09Å
746	D	65.5	Low	72.9	Confident	142 Å²	142	75.6 Å²	75.6	76%	0.759	42%	0.423	S	S	*	.			trans	-92.7	1.1	169.1	-63.3	-37.1	0	0	0	112.1
747	D	71	Confident	75.1	Confident	84 Å²	84	72.9 Å²	72.9	45%	0.449	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-61.3	142.9	176.7	-81.7	-17.2	0	0	0	111.9	R587 P725 T745	R587-D747 IonicContact CZ-OD2 3.05Å; R587-D747 IonicContact NH2-OD2 3.43Å; R587-D747 PolarHBondContact NH2-OD2 2.62Å; P725-D747 HydrophobicContact CG-CB 4.28Å; T745-D747 HydrophobicContact CG2-CB 3.98Å; T745-D747 WeakPolarHBondContact OG1-CB 3.48Å; T745-D747 PolarHBondContact OG1-N 2.98Å; T745-D747 VanDerWaalsContact OG1-N 3.09Å
748	V	80.1	Confident	77.7	Confident	72 Å²	72	65.9 Å²	65.9	44%	0.436	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-72.2	131.7	177.2	-175.3	0	0	0	0	110.1	F583 V752	F583-V748 WeakPolarHBondContact CE2-O 3.44Å; V748-V752 HydrophobicContact CG1-CB 3.57Å; V748-V752 HydrophobicContact CG1-CG1 3.49Å; V748-V752 VanDerWaalsContact CG1-CG1 3.49Å
749	S	87.3	Confident	80	Confident	19 Å²	19	65.2 Å²	65.2	13%	0.133	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-71.6	157.6	175.3	73.7	0	0	0	0	112.1	N724 P725 Q751 V752 F753	N724-S749 WeakPolarHBondContact OD1-CA 3.4Å; P725-S749 WeakPolarHBondContact O-CB 3.47Å; S749-Q751 PolarHBondContact O-N 3.15Å; S749-V752 PolarHBondContact O-N 3.08Å; S749-V752 PolarHBondContact OG-N 2.66Å; S749-F753 PolarHBondContact O-N 3.03Å
750	L	89.3	Confident	81.8	Confident	34 Å²	34	62.9 Å²	62.9	18%	0.178	34%	0.338	C	S	.	.	H	α-helix	trans	-54	-38.8	175.5	178	61.3	0	0	0	111.8	Q580 F583 N724 F753 M754	Q580-L750 HydrophobicContact CG-CD2 4.18Å; F583-L750 HydrophobicContact CB-CD1 3.75Å; F583-L750 HydrophobicContact CD1-CB 4.15Å; F583-L750 HydrophobicContact CD1-CD1 3.74Å; F583-L750 HydrophobicContact CD1-CG 4.45Å; F583-L750 HydrophobicContact CD2-CD1 4.19Å; F583-L750 HydrophobicContact CE1-CB 3.91Å; F583-L750 HydrophobicContact CE1-CD1 4.38Å; F583-L750 HydrophobicContact CE2-CB 4.46Å; F583-L750 HydrophobicContact CG-CD1 3.62Å; F583-L750 HydrophobicContact CZ-CB 4.07Å; N724-L750 PolarHBondContact OD1-N 3.25Å; L750-F753 HydrophobicContact CD1-CD1 4.25Å; L750-F753 WeakPolarHBondContact O-CB 3.19Å; L750-F753 PolarHBondContact O-N 3.02Å; L750-M754 HydrophobicContact CD1-CG 4.05Å; L750-M754 HydrophobicContact CG-CG 4.34Å; L750-M754 WeakPolarHBondContact O-CB 3.43Å; L750-M754 VanDerWaalsContact O-CG 3.25Å; L750-M754 WeakPolarHBondContact O-CG 3.48Å; L750-M754 PolarHBondContact O-N 3.26Å
751	Q	88.6	Confident	83.4	Confident	109 Å²	109	61.8 Å²	61.8	51%	0.509	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-49.5	178.8	-177.7	57.6	37.2	0	0	111.8	S749 F753 M754 D755	S749-Q751 PolarHBondContact O-N 3.15Å; Q751-F753 VanDerWaalsContact C-N 3.31Å; Q751-F753 PolarHBondContact O-N 2.65Å; Q751-M754 PolarHBondContact O-N 3.45Å; Q751-D755 VanDerWaalsContact NE2-CG 3.34Å; Q751-D755 PolarHBondContact NE2-OD1 3Å; Q751-D755 VanDerWaalsContact NE2-OD1 3.1Å; Q751-D755 PolarHBondContact NE2-OD2 3.1Å; Q751-D755 VanDerWaalsContact O-CG 3.32Å; Q751-D755 PolarHBondContact O-N 3.11Å
752	V	90	Very high	84.9	Confident	81 Å²	81	60.9 Å²	60.9	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-65.2	-38.1	178.9	176.4	0	0	0	0	111	V748 S749 D755 H756	V748-V752 HydrophobicContact CG1-CB 3.57Å; V748-V752 HydrophobicContact CG1-CG1 3.49Å; V748-V752 VanDerWaalsContact CG1-CG1 3.49Å; S749-V752 PolarHBondContact O-N 3.08Å; S749-V752 PolarHBondContact OG-N 2.66Å; V752-D755 PolarHBondContact O-N 3.16Å; V752-H756 WeakPolarHBondContact O-CB 3.4Å; V752-H756 PolarHBondContact O-N 2.81Å
753	F	93.1	Very high	85.9	Confident	21 Å²	21	59.7 Å²	59.7	9%	0.092	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-48	172.7	171.9	-96.9	0	0	0	111.7	L551 F583 S749 L750 Q751 H756 L757	L551-F753 HydrophobicContact CD2-CE1 4.14Å; L551-F753 HydrophobicContact CD2-CZ 3.56Å; F583-F753 HydrophobicContact CB-CD1 3.89Å; F583-F753 HydrophobicContact CB-CE1 3.82Å; F583-F753 HydrophobicContact CB-CG 4.43Å; F583-F753 HydrophobicContact CB-CZ 4.32Å; F583-F753 HydrophobicContact CD2-CB 3.76Å; F583-F753 AromaticContact CD2-CD1 3.92Å; F583-F753 HydrophobicContact CD2-CD1 3.92Å; F583-F753 HydrophobicContact CD2-CD2 4.14Å; F583-F753 AromaticContact CD2-CG 3.67Å; F583-F753 HydrophobicContact CD2-CG 3.67Å; F583-F753 HydrophobicContact CE2-CB 4.08Å; F583-F753 HydrophobicContact CE2-CG 4.46Å; F583-F753 HydrophobicContact CG-CD1 4.28Å; F583-F753 HydrophobicContact CG-CG 4.47Å; S749-F753 PolarHBondContact O-N 3.03Å; L750-F753 HydrophobicContact CD1-CD1 4.25Å; L750-F753 WeakPolarHBondContact O-CB 3.19Å; L750-F753 PolarHBondContact O-N 3.02Å; Q751-F753 VanDerWaalsContact C-N 3.31Å; Q751-F753 PolarHBondContact O-N 2.65Å; F753-H756 PolarHBondContact O-N 3.23Å; F753-L757 HydrophobicContact CE1-CD2 4.42Å; F753-L757 WeakPolarHBondContact O-CB 3.37Å; F753-L757 PolarHBondContact O-N 3.17Å
754	M	93.8	Very high	85.2	Confident	35 Å²	35	62.7 Å²	62.7	17%	0.172	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-40	178.7	-73.2	-59.4	-70.5	0	0	112.1	P579 L750 Q751 H756 L757 K758	P579-M754 HydrophobicContact CB-CE 4.06Å; P579-M754 HydrophobicContact CB-SD 3.57Å; P579-M754 VanDerWaalsContact CB-SD 3.57Å; P579-M754 HydrophobicContact CG-CE 4.36Å; P579-M754 HydrophobicContact CG-SD 4.47Å; L750-M754 HydrophobicContact CD1-CG 4.05Å; L750-M754 HydrophobicContact CG-CG 4.34Å; L750-M754 WeakPolarHBondContact O-CB 3.43Å; L750-M754 VanDerWaalsContact O-CG 3.25Å; L750-M754 WeakPolarHBondContact O-CG 3.48Å; L750-M754 PolarHBondContact O-N 3.26Å; Q751-M754 PolarHBondContact O-N 3.45Å; M754-H756 VanDerWaalsContact C-N 3.34Å; M754-H756 PolarHBondContact O-N 3.41Å; M754-L757 PolarHBondContact O-N 3.07Å; M754-L757 HydrophobicContact SD-CD2 4.16Å; M754-K758 WeakPolarHBondContact O-CB 3.43Å; M754-K758 WeakPolarHBondContact O-CG 3.39Å; M754-K758 PolarHBondContact O-N 3.06Å
755	D	93.2	Very high	84.4	Confident	59 Å²	59	59.4 Å²	59.4	32%	0.316	32%	0.324	S	S	.	.	H	α-helix	trans	-66.6	-37	178	-69.3	-25.4	0	0	0	112	Q751 V752 K758 K759	Q751-D755 VanDerWaalsContact NE2-CG 3.34Å; Q751-D755 PolarHBondContact NE2-OD1 3Å; Q751-D755 VanDerWaalsContact NE2-OD1 3.1Å; Q751-D755 PolarHBondContact NE2-OD2 3.1Å; Q751-D755 VanDerWaalsContact O-CG 3.32Å; Q751-D755 PolarHBondContact O-N 3.11Å; V752-D755 PolarHBondContact O-N 3.16Å; D755-K758 IonicContact OD1-NZ 3.14Å; D755-K759 VanDerWaalsContact O-CG 3.28Å; D755-K759 WeakPolarHBondContact O-CG 3.42Å; D755-K759 PolarHBondContact O-N 3.47Å; D755-K759 VanDerWaalsContact O-N 3.13Å
756	H	93.7	Very high	83	Confident	113 Å²	113	66.1 Å²	66.1	52%	0.523	38%	0.383	S	S	.	.	H	α-helix	trans	-68.7	-43.2	172.9	-170.3	-128.7	0	0	0	112	V752 F753 M754 K758 K759 L760	V752-H756 WeakPolarHBondContact O-CB 3.4Å; V752-H756 PolarHBondContact O-N 2.81Å; F753-H756 PolarHBondContact O-N 3.23Å; M754-H756 VanDerWaalsContact C-N 3.34Å; M754-H756 PolarHBondContact O-N 3.41Å; H756-K758 PolarHBondContact O-N 3.46Å; H756-K759 PolarHBondContact O-N 3.22Å; H756-L760 WeakPolarHBondContact O-CG 3.43Å; H756-L760 PolarHBondContact O-N 2.94Å
757	L	94.3	Very high	83.9	Confident	7 Å²	7	62.4 Å²	62.4	4%	0.037	36%	0.364	C	S	.	.	H	α-helix	trans	-58.9	-46.8	175.6	176.5	61.6	0	0	0	111.5	L551 I552 P579 F753 M754 K759 L760 A761	L551-L757 HydrophobicContact CD1-CD2 4.31Å; L551-L757 HydrophobicContact CD2-CD1 4.09Å; L551-L757 HydrophobicContact CD2-CD2 3.86Å; L551-L757 HydrophobicContact CG-CD1 3.88Å; L551-L757 HydrophobicContact CG-CD2 4.04Å; I552-L757 HydrophobicContact CG1-CD1 3.87Å; P579-L757 HydrophobicContact CB-CD2 3.84Å; P579-L757 HydrophobicContact CG-CD2 4.19Å; F753-L757 HydrophobicContact CE1-CD2 4.42Å; F753-L757 WeakPolarHBondContact O-CB 3.37Å; F753-L757 PolarHBondContact O-N 3.17Å; M754-L757 PolarHBondContact O-N 3.07Å; M754-L757 HydrophobicContact SD-CD2 4.16Å; L757-K759 PolarHBondContact O-N 3.17Å; L757-L760 PolarHBondContact O-N 2.99Å; L757-A761 VanDerWaalsContact O-CB 3.29Å; L757-A761 WeakPolarHBondContact O-CB 3.49Å; L757-A761 PolarHBondContact O-N 2.91Å
758	K	94.5	Very high	84.6	Confident	51 Å²	51	61.2 Å²	61.2	22%	0.222	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-47.7	176.6	-72.6	170.3	-172.9	168.8	0	111.2	P566 F569 M754 D755 H756 L760 A761 V762	P566-K758 HydrophobicContact CB-CB 4.15Å; F569-K758 HydrophobicContact CB-CB 4.35Å; F569-K758 HydrophobicContact CB-CG 4.01Å; F569-K758 HydrophobicContact CD1-CG 3.69Å; F569-K758 HydrophobicContact CE1-CG 4.44Å; F569-K758 HydrophobicContact CG-CG 4.01Å; M754-K758 WeakPolarHBondContact O-CB 3.43Å; M754-K758 WeakPolarHBondContact O-CG 3.39Å; M754-K758 PolarHBondContact O-N 3.06Å; D755-K758 IonicContact OD1-NZ 3.14Å; H756-K758 PolarHBondContact O-N 3.46Å; K758-L760 VanDerWaalsContact C-N 3.32Å; K758-L760 PolarHBondContact O-N 3.31Å; K758-A761 PolarHBondContact O-N 3.46Å; K758-V762 WeakPolarHBondContact O-CG1 3.45Å; K758-V762 WeakPolarHBondContact O-CG2 3.44Å; K758-V762 PolarHBondContact O-N 3.16Å
759	K	94.5	Very high	84.8	Confident	123 Å²	123	60.6 Å²	60.6	54%	0.535	36%	0.355	S	S	.	.	H	α-helix	trans	-56	-46.1	177	-75	170.8	-175.5	177.4	0	111.9	P566 D755 H756 L757 S763	P566-K759 HydrophobicContact CB-CG 4.1Å; P566-K759 HydrophobicContact CG-CB 4.45Å; P566-K759 HydrophobicContact CG-CG 3.73Å; D755-K759 VanDerWaalsContact O-CG 3.28Å; D755-K759 WeakPolarHBondContact O-CG 3.42Å; D755-K759 PolarHBondContact O-N 3.47Å; D755-K759 VanDerWaalsContact O-N 3.13Å; H756-K759 PolarHBondContact O-N 3.22Å; L757-K759 PolarHBondContact O-N 3.17Å; K759-S763 VanDerWaalsContact O-CB 3.22Å; K759-S763 WeakPolarHBondContact O-CB 3.3Å; K759-S763 PolarHBondContact O-N 3.14Å; K759-S763 VanDerWaalsContact O-N 3.15Å; K759-S763 PolarHBondContact O-OG 3.15Å
760	L	94	Very high	84.7	Confident	60 Å²	60	63.1 Å²	63.1	31%	0.314	37%	0.368	S	S	.	.	H	α-helix	trans	-71.1	-38	179.8	-66.3	178.1	0	0	0	112.6	I552 Q556 H756 L757 K758 S763	I552-L760 HydrophobicContact CD1-CB 4.22Å; I552-L760 HydrophobicContact CD1-CD1 3.67Å; I552-L760 HydrophobicContact CG1-CB 4.3Å; I552-L760 HydrophobicContact CG1-CD1 4.42Å; I552-L760 HydrophobicContact CG2-CB 4.42Å; Q556-L760 PolarHBondContact NE2-O 2.99Å; H756-L760 WeakPolarHBondContact O-CG 3.43Å; H756-L760 PolarHBondContact O-N 2.94Å; L757-L760 PolarHBondContact O-N 2.99Å; K758-L760 VanDerWaalsContact C-N 3.32Å; K758-L760 PolarHBondContact O-N 3.31Å; L760-S763 WeakPolarHBondContact CA-OG 3.41Å; L760-S763 PolarHBondContact O-N 3.43Å; L760-S763 PolarHBondContact O-OG 3.34Å
761	A	92.4	Very high	84.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.008	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-39	179.8	0	0	0	0	0	112.5	C555 Q556 F561 F569 L757 K758	C555-A761 HydrophobicContact CB-CB 3.86Å; Q556-A761 VanDerWaalsContact CG-O 3.31Å; Q556-A761 WeakPolarHBondContact CG-O 3.24Å; F561-A761 WeakPolarHBondContact CZ-O 3.31Å; F569-A761 HydrophobicContact CD2-CB 4.06Å; F569-A761 HydrophobicContact CE2-CB 3.68Å; F569-A761 HydrophobicContact CZ-CB 4.34Å; L757-A761 VanDerWaalsContact O-CB 3.29Å; L757-A761 WeakPolarHBondContact O-CB 3.49Å; L757-A761 PolarHBondContact O-N 2.91Å; K758-A761 PolarHBondContact O-N 3.46Å
762	V	92.5	Very high	84.1	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.024	37%	0.372	C	S	.	.	H	α-helix	trans	-84.8	-15.8	178.4	-51.9	0	0	0	0	113.6	F561 D564 P566 F569 K758	F561-V762 HydrophobicContact CB-CG1 3.57Å; F561-V762 HydrophobicContact CD1-CG1 4.47Å; F561-V762 HydrophobicContact CD2-CB 3.89Å; F561-V762 HydrophobicContact CD2-CG1 3.73Å; F561-V762 HydrophobicContact CE2-CB 4.43Å; F561-V762 HydrophobicContact CG-CB 4.36Å; F561-V762 HydrophobicContact CG-CG1 3.68Å; D564-V762 PolarHBondContact N-O 3.36Å; P566-V762 HydrophobicContact CB-CG2 4.32Å; P566-V762 HydrophobicContact CG-CG2 3.88Å; F569-V762 HydrophobicContact CB-CG1 4.17Å; F569-V762 HydrophobicContact CD2-CG1 4.2Å; K758-V762 WeakPolarHBondContact O-CG1 3.45Å; K758-V762 WeakPolarHBondContact O-CG2 3.44Å; K758-V762 PolarHBondContact O-N 3.16Å
763	S	87.6	Confident	83.7	Confident	43 Å²	43	60.6 Å²	60.6	30%	0.301	36%	0.363	S	S	.	.	S	Bend	trans	-77.2	143.3	177.8	73	0	0	0	0	111.3	K759 L760 S765	K759-S763 VanDerWaalsContact O-CB 3.22Å; K759-S763 WeakPolarHBondContact O-CB 3.3Å; K759-S763 PolarHBondContact O-N 3.14Å; K759-S763 VanDerWaalsContact O-N 3.15Å; K759-S763 PolarHBondContact O-OG 3.15Å; L760-S763 WeakPolarHBondContact CA-OG 3.41Å; L760-S763 PolarHBondContact O-N 3.43Å; L760-S763 PolarHBondContact O-OG 3.34Å; S763-S765 PolarHBondContact O-N 3.35Å
764	S	55.8	Low	83	Confident	77 Å²	77	63.6 Å²	63.6	54%	0.538	38%	0.384	S	S	.	.			trans	-49.7	107.6	-175.7	-56.5	0	0	0	0	113.5	K563	K563-S764 WeakPolarHBondContact CE-OG 3.15Å; K563-S764 PolarHBondContact NZ-OG 3.34Å
765	S	53.3	Low	82.1	Confident	78 Å²	78	66 Å²	66	55%	0.545	40%	0.401	S	S	.	.			trans	-129.3	97.7	147.1	-42.2	0	0	0	0	106.1	Q556 S763	Q556-S765 PolarHBondContact NE2-OG 3.44Å; Q556-S765 VanDerWaalsContact NE2-OG 3.08Å; S763-S765 PolarHBondContact O-N 3.35Å
766	A	39.1	Very low	81.1	Confident	176 Å²	176	66.6 Å²	66.6	100%	1.455	41%	0.409	S	S	*	.			trans	-65.1	0	171	0	0	0	0	0	110.8

Retrieved 766 of 766 residues in 1163.7 ms (Link to these results)

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