A0A087YEG1_POEFO Loading...

ADP-ribosylation factor GTPase-activating protein 1

GTPase-activating protein (GAP) for the ADP ribosylation factor 1 (ARF1). Involved in membrane trafficking and /or vesicle transport. Promotes hydrolysis of the ARF1-bound GTP and thus, is required for the dissociation of coat proteins from Golgi-derived membranes and vesicles, a prerequisite for vesicle's fusion with target compartment. Probably regulates ARF1-mediated transport via its interaction with the KDELR proteins and TMED2. Overexpression induces the redistribution of the entire Golgi complex to the endoplasmic reticulum, as when ARF1 is deactivated. Its activity is stimulated by phosphoinosides and inhibited by phosphatidylcholine.

AlphaFold DB , UniProt , Accession A0A087YEG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 415 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	84.6	Confident	93	Very high	163 Å²	163	86.2 Å²	86.2	80%	0.803	40%	0.395	S	S	*	.				0	139.5	0	-62.6	-175.5	82.9	0	0	108.3	T63 M64 D65	M1-T63 CarbonylContact C-O 2.83Å; M1-T63 VanDerWaalsContact CA-O 3.25Å; M1-T63 WeakPolarHBondContact CA-O 3.31Å; M1-M64 WeakPolarHBondContact CA-O 3.25Å; M1-M64 PolarHBondContact N-O 3.11Å; M1-D65 CarbonylContact C-O 3.58Å; M1-D65 WeakPolarHBondContact CA-O 3.34Å; M1-D65 PolarHBondContact N-O 2.83Å
2	A	90.9	Very high	93.1	Very high	6 Å²	6	89.3 Å²	89.3	5%	0.05	41%	0.41	C	S	.	.			trans	-67.8	151.4	-175.4	0	0	0	0	0	111.2	T6 R7 V62 T63 D65	A2-T6 HydrophobicContact CB-CG2 3.96Å; A2-R7 HydrophobicContact CB-CG 4Å; A2-R7 PolarHBondContact O-NH1 3.25Å; A2-V62 WeakPolarHBondContact CB-O 3.24Å; A2-T63 PolarHBondContact N-O 2.92Å; A2-D65 PolarHBondContact N-O 2.96Å
3	S	93.7	Very high	93.3	Very high	49 Å²	49	82.8 Å²	82.8	34%	0.343	38%	0.381	S	S	.	.			trans	-74.6	161.7	175.1	81.9	0	0	0	0	111.3	R5 T6 R7	S3-R5 PolarHBondContact O-N 3.02Å; S3-R5 PolarHBondContact OG-N 3.5Å; S3-T6 PolarHBondContact N-OG1 2.66Å; S3-T6 WeakPolarHBondContact O-CB 3.47Å; S3-T6 PolarHBondContact O-N 2.93Å; S3-T6 WeakPolarHBondContact OG-CB 3.27Å; S3-T6 PolarHBondContact OG-N 3.08Å; S3-T6 PolarHBondContact OG-OG1 3.07Å; S3-R7 PolarHBondContact O-N 3.23Å
4	P	93.5	Very high	93.3	Very high	83 Å²	83	80.4 Å²	80.4	54%	0.539	37%	0.367	S	S	.	.	H	α-helix	trans	-57.9	-33	170.8	-24.9	35.2	0	0	0	113.6	R8	P4-R8 WeakPolarHBondContact O-CG 3.19Å; P4-R8 PolarHBondContact O-N 2.82Å
5	R	93.8	Very high	93.1	Very high	161 Å²	161	83.1 Å²	83.1	61%	0.608	39%	0.392	S	S	*	.	H	α-helix	trans	-66	-52	173.5	176.4	179.1	170.7	-168.2	-7.7	110.7	S3 R7 R8 V9 D69	S3-R5 PolarHBondContact O-N 3.02Å; S3-R5 PolarHBondContact OG-N 3.5Å; R5-R7 VanDerWaalsContact C-N 3.28Å; R5-R7 PolarHBondContact O-N 2.83Å; R5-R8 WeakPolarHBondContact O-CB 3.24Å; R5-R8 PolarHBondContact O-N 3.25Å; R5-V9 PolarHBondContact O-N 3.41Å; R5-D69 IonicContact CZ-OD1 3.61Å; R5-D69 IonicContact NH1-OD1 3.84Å; R5-D69 IonicContact NH2-OD1 2.74Å
6	T	95	Very high	92.9	Very high	10 Å²	10	83.4 Å²	83.4	6%	0.061	39%	0.393	C	S	.	.	H	α-helix	trans	-52	-46.2	177	-48.8	0	0	0	0	111.3	A2 S3 R8 V9 L10 W67 L72	A2-T6 HydrophobicContact CB-CG2 3.96Å; S3-T6 PolarHBondContact N-OG1 2.66Å; S3-T6 WeakPolarHBondContact O-CB 3.47Å; S3-T6 PolarHBondContact O-N 2.93Å; S3-T6 WeakPolarHBondContact OG-CB 3.27Å; S3-T6 PolarHBondContact OG-N 3.08Å; S3-T6 PolarHBondContact OG-OG1 3.07Å; T6-R8 VanDerWaalsContact C-N 3.3Å; T6-R8 PolarHBondContact O-N 3Å; T6-V9 PolarHBondContact O-N 3.11Å; T6-L10 HydrophobicContact CG2-CD1 3.87Å; T6-L10 HydrophobicContact CG2-CG 4.42Å; T6-L10 WeakPolarHBondContact O-CB 3.17Å; T6-L10 WeakPolarHBondContact O-CG 3.48Å; T6-L10 PolarHBondContact O-N 3.48Å; T6-W67 HydrophobicContact CG2-CB 3.57Å; T6-W67 HydrophobicContact CG2-CD2 4.01Å; T6-W67 HydrophobicContact CG2-CG 3.52Å; T6-L72 HydrophobicContact CG2-CD1 4.25Å; T6-L72 HydrophobicContact CG2-CD2 3.86Å; T6-L72 HydrophobicContact CG2-CG 4.5Å
7	R	93.6	Very high	92.2	Very high	109 Å²	109	81.4 Å²	81.4	41%	0.411	39%	0.385	S	S	.	.	H	α-helix	trans	-66.8	-23.5	179.5	-74.3	-166.2	-69.9	-93	-1.8	114.5	A2 S3 R5 K11	A2-R7 HydrophobicContact CB-CG 4Å; A2-R7 PolarHBondContact O-NH1 3.25Å; S3-R7 PolarHBondContact O-N 3.23Å; R5-R7 VanDerWaalsContact C-N 3.28Å; R5-R7 PolarHBondContact O-N 2.83Å; R7-K11 WeakPolarHBondContact O-CB 3.18Å; R7-K11 PolarHBondContact O-N 2.74Å
8	R	94.5	Very high	92.2	Very high	188 Å²	188	82.2 Å²	82.2	71%	0.709	39%	0.389	S	S	*	.	H	α-helix	trans	-74.2	-54.3	173	-69.5	171.6	-174.5	164.2	0.7	110.2	P4 R5 T6 L10 K11 E12	P4-R8 WeakPolarHBondContact O-CG 3.19Å; P4-R8 PolarHBondContact O-N 2.82Å; R5-R8 WeakPolarHBondContact O-CB 3.24Å; R5-R8 PolarHBondContact O-N 3.25Å; T6-R8 VanDerWaalsContact C-N 3.3Å; T6-R8 PolarHBondContact O-N 3Å; R8-L10 VanDerWaalsContact C-N 3.34Å; R8-L10 PolarHBondContact O-N 3Å; R8-K11 WeakPolarHBondContact O-CB 3.38Å; R8-K11 PolarHBondContact O-N 3.29Å; R8-E12 PolarHBondContact O-N 3.46Å
9	V	94.9	Very high	92.4	Very high	24 Å²	24	77.9 Å²	77.9	15%	0.145	37%	0.368	C	S	.	.	H	α-helix	trans	-57.6	-44.4	179.6	-179.2	0	0	0	0	111.6	R5 T6 K11 E12 V13 L72	R5-V9 PolarHBondContact O-N 3.41Å; T6-V9 PolarHBondContact O-N 3.11Å; V9-K11 VanDerWaalsContact C-N 3.32Å; V9-K11 PolarHBondContact O-N 3.22Å; V9-E12 WeakPolarHBondContact O-CB 3.19Å; V9-E12 PolarHBondContact O-N 3.26Å; V9-V13 WeakPolarHBondContact O-CG2 3.35Å; V9-V13 PolarHBondContact O-N 2.96Å; V9-L72 HydrophobicContact CG1-CB 4.49Å; V9-L72 HydrophobicContact CG1-CD2 4.37Å
10	L	94.8	Very high	92.5	Very high	1 Å²	1	78.3 Å²	78.3	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-68.2	-28.6	176.8	-68.6	177.7	0	0	0	113.1	T6 R8 R14 W40 V62 W67 L72 M75	T6-L10 HydrophobicContact CG2-CD1 3.87Å; T6-L10 HydrophobicContact CG2-CG 4.42Å; T6-L10 WeakPolarHBondContact O-CB 3.17Å; T6-L10 WeakPolarHBondContact O-CG 3.48Å; T6-L10 PolarHBondContact O-N 3.48Å; R8-L10 VanDerWaalsContact C-N 3.34Å; R8-L10 PolarHBondContact O-N 3Å; L10-R14 WeakPolarHBondContact O-CB 3.3Å; L10-R14 PolarHBondContact O-N 3.18Å; L10-R14 VanDerWaalsContact O-N 3.11Å; L10-W40 HydrophobicContact CB-CH2 4.15Å; L10-W40 HydrophobicContact CD2-CH2 4.4Å; L10-W40 HydrophobicContact CD2-CZ2 4.45Å; L10-W40 WeakPolarHBondContact O-CH2 3.46Å; L10-V62 HydrophobicContact CB-CG1 4.21Å; L10-V62 HydrophobicContact CD1-CG1 4.02Å; L10-W67 HydrophobicContact CD1-CD2 4.2Å; L10-W67 HydrophobicContact CD1-CH2 3.9Å; L10-W67 HydrophobicContact CD1-CZ2 3.56Å; L10-W67 HydrophobicContact CD1-CZ3 4.4Å; L10-W67 HydrophobicContact CD2-CH2 3.77Å; L10-W67 HydrophobicContact CD2-CZ2 4.29Å; L10-W67 HydrophobicContact CD2-CZ3 4.08Å; L10-W67 HydrophobicContact CG-CH2 4.48Å; L10-L72 HydrophobicContact CD1-CD2 4.21Å; L10-L72 HydrophobicContact CD2-CD2 3.66Å; L10-L72 HydrophobicContact CG-CD2 3.68Å; L10-M75 HydrophobicContact CD2-CB 4.29Å; L10-M75 HydrophobicContact CD2-CG 4.03Å
11	K	93.9	Very high	92.7	Very high	154 Å²	154	77 Å²	77	67%	0.67	37%	0.368	S	S	*	.	H	α-helix	trans	-71.1	-36.2	174.4	-174.3	-175.6	175.4	-169.3	0	111.6	R7 R8 V9	R7-K11 WeakPolarHBondContact O-CB 3.18Å; R7-K11 PolarHBondContact O-N 2.74Å; R8-K11 WeakPolarHBondContact O-CB 3.38Å; R8-K11 PolarHBondContact O-N 3.29Å; V9-K11 VanDerWaalsContact C-N 3.32Å; V9-K11 PolarHBondContact O-N 3.22Å
12	E	94.3	Very high	93.3	Very high	124 Å²	124	69.3 Å²	69.3	58%	0.579	33%	0.33	S	S	*	.	H	α-helix	trans	-66.2	-54.8	176	-175.8	176.2	-173.6	0	0	110.9	R8 V9 R14 T15	R8-E12 PolarHBondContact O-N 3.46Å; V9-E12 WeakPolarHBondContact O-CB 3.19Å; V9-E12 PolarHBondContact O-N 3.26Å; E12-R14 PolarHBondContact O-N 3.24Å; E12-T15 PolarHBondContact O-N 3.28Å; E12-T15 PolarHBondContact O-OG1 3.21Å
13	V	94.8	Very high	93.6	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.024	33%	0.333	C	S	.	.	H	α-helix	trans	-56.5	-35	175.2	173.3	0	0	0	0	112.4	V9 T15 Q16 N19 W40 M75 K76	V9-V13 WeakPolarHBondContact O-CG2 3.35Å; V9-V13 PolarHBondContact O-N 2.96Å; V13-T15 PolarHBondContact O-N 3.13Å; V13-T15 VanDerWaalsContact O-N 3.17Å; V13-Q16 PolarHBondContact O-N 3.06Å; V13-Q16 VanDerWaalsContact O-N 3.11Å; V13-N19 PolarHBondContact O-ND2 2.96Å; V13-W40 HydrophobicContact CB-CZ2 4.3Å; V13-W40 HydrophobicContact CG1-CZ2 3.98Å; V13-M75 HydrophobicContact CG1-CB 4.44Å; V13-M75 VanDerWaalsContact CG1-O 3.29Å; V13-M75 WeakPolarHBondContact CG1-O 3.44Å; V13-K76 HydrophobicContact CG2-CG 3.85Å
14	R	93.3	Very high	93.7	Very high	50 Å²	50	70.1 Å²	70.1	19%	0.189	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.2	175.7	-175.8	-179.4	-79.3	169.2	-6.6	113.7	L10 E12 N29 P30 Q31 W40	L10-R14 WeakPolarHBondContact O-CB 3.3Å; L10-R14 PolarHBondContact O-N 3.18Å; L10-R14 VanDerWaalsContact O-N 3.11Å; E12-R14 PolarHBondContact O-N 3.24Å; R14-N29 PolarHBondContact NH1-OD1 3.37Å; R14-P30 PolarHBondContact NH2-O 2.86Å; R14-Q31 VanDerWaalsContact NH2-CD 3.29Å; R14-W40 HydrophobicContact CB-CH2 3.81Å; R14-W40 HydrophobicContact CB-CZ2 4.03Å; R14-W40 HydrophobicContact CB-CZ3 4.19Å; R14-W40 HydrophobicContact CG-CH2 4.47Å; R14-W40 HydrophobicContact CG-CZ3 4.36Å; R14-W40 VanDerWaalsContact NE-CZ3 3.32Å
15	T	91	Very high	93.8	Very high	121 Å²	121	69.5 Å²	69.5	74%	0.742	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-5	177.7	56.2	0	0	0	0	114.4	E12 V13	E12-T15 PolarHBondContact O-N 3.28Å; E12-T15 PolarHBondContact O-OG1 3.21Å; V13-T15 PolarHBondContact O-N 3.13Å; V13-T15 VanDerWaalsContact O-N 3.17Å
16	Q	89.3	Confident	93.9	Very high	88 Å²	88	63.6 Å²	63.6	41%	0.411	31%	0.314	S	S	.	.	S	Bend	trans	-102	165.5	178.7	-64.7	168.5	-29.2	0	0	111.2	V13 E18 N19	V13-Q16 PolarHBondContact O-N 3.06Å; V13-Q16 VanDerWaalsContact O-N 3.11Å; Q16-E18 VanDerWaalsContact C-N 3.28Å; Q16-E18 PolarHBondContact O-N 3.23Å; Q16-N19 WeakPolarHBondContact O-CB 3.3Å; Q16-N19 PolarHBondContact O-N 3.26Å; Q16-N19 PolarHBondContact O-ND2 3.43Å; Q16-N19 VanDerWaalsContact O-ND2 3.11Å
17	D	82.1	Confident	94	Very high	49 Å²	49	65 Å²	65	26%	0.262	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	35.2	162.8	-48.9	-48.2	0	0	0	117.1	N19 N80 G81 K82	D17-N19 PolarHBondContact O-N 3.32Å; D17-N80 VanDerWaalsContact O-CB 3.3Å; D17-N80 WeakPolarHBondContact O-CB 3.49Å; D17-N80 PolarHBondContact O-N 3.17Å; D17-G81 PolarHBondContact O-N 3.39Å; D17-K82 WeakPolarHBondContact OD1-CE 3.39Å; D17-K82 IonicContact OD1-NZ 3.75Å; D17-K82 VanDerWaalsContact OD2-CE 3.28Å; D17-K82 WeakPolarHBondContact OD2-CE 3.39Å; D17-K82 IonicContact OD2-NZ 3.57Å; D17-K82 PolarHBondContact OD2-NZ 3.46Å
18	E	92.5	Very high	94.1	Very high	96 Å²	96	68.3 Å²	68.3	45%	0.449	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	25.9	-176	-51.9	-177.9	140.7	0	0	114.8	Q16 N20 L21 N80 R84	Q16-E18 VanDerWaalsContact C-N 3.28Å; Q16-E18 PolarHBondContact O-N 3.23Å; E18-N20 VanDerWaalsContact C-OD1 3.28Å; E18-N20 WeakPolarHBondContact CA-OD1 3.41Å; E18-N20 PolarHBondContact O-N 3.27Å; E18-N20 PolarHBondContact O-OD1 3.08Å; E18-L21 PolarHBondContact O-N 2.54Å; E18-N80 PolarHBondContact O-ND2 3.45Å; E18-R84 IonicContact OE2-CZ 3.96Å; E18-R84 IonicContact OE2-NH1 3.71Å; E18-R84 PolarHBondContact OE2-NH1 3Å; E18-R84 IonicContact OE2-NH2 3.58Å; E18-R84 PolarHBondContact OE2-NH2 3.35Å
19	N	94.6	Very high	94.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-0.5	178.6	-68	-28.6	0	0	0	113.8	V13 Q16 D17 W40 N80	V13-N19 PolarHBondContact O-ND2 2.96Å; Q16-N19 WeakPolarHBondContact O-CB 3.3Å; Q16-N19 PolarHBondContact O-N 3.26Å; Q16-N19 PolarHBondContact O-ND2 3.43Å; Q16-N19 VanDerWaalsContact O-ND2 3.11Å; D17-N19 PolarHBondContact O-N 3.32Å; N19-W40 VanDerWaalsContact CB-CD1 3.43Å; N19-W40 HydrophobicContact CB-CD2 4.22Å; N19-W40 HydrophobicContact CB-CG 3.92Å; N19-W40 VanDerWaalsContact CG-NE1 3.27Å; N19-N80 PolarHBondContact OD1-N 2.96Å
20	N	95	Very high	94.2	Very high	86 Å²	86	62.9 Å²	62.9	46%	0.46	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.1	172.5	65.4	-41.8	0	0	0	114	E18 N29 P30	E18-N20 VanDerWaalsContact C-OD1 3.28Å; E18-N20 WeakPolarHBondContact CA-OD1 3.41Å; E18-N20 PolarHBondContact O-N 3.27Å; E18-N20 PolarHBondContact O-OD1 3.08Å; N20-N29 PolarHBondContact O-N 3.21Å; N20-P30 VanDerWaalsContact O-CD 3.26Å; N20-P30 WeakPolarHBondContact O-CD 3.31Å
21	L	96.6	Very high	94.3	Very high	50 Å²	50	65.9 Å²	65.9	26%	0.262	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-116.4	156.3	178.4	-54.9	-178	0	0	0	111.4	E18 F23 F28 N80	E18-L21 PolarHBondContact O-N 2.54Å; L21-F23 PolarHBondContact O-N 3.21Å; L21-F28 HydrophobicContact CD2-CD1 3.37Å; L21-F28 HydrophobicContact CD2-CE1 3.65Å; L21-F28 HydrophobicContact CD2-CG 4.23Å; L21-N80 PolarHBondContact O-ND2 3.23Å
22	C	97.7	Very high	94.5	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.02	32%	0.316	C	S	.	.			trans	-73.2	122.1	170.7	178.3	0	0	0	0	110.6	E24 C25 G26 A27 C42	C22-E24 PolarHBondContact O-N 3.08Å; C22-E24 VanDerWaalsContact O-N 3.13Å; C22-C25 PolarHBondContact O-N 3.11Å; C22-C25 PolarHBondContact SG-SG 3.49Å; C22-G26 WeakPolarHBondContact O-CA 3.37Å; C22-G26 PolarHBondContact O-N 3.12Å; C22-A27 HydrophobicContact CB-CB 4.01Å; C22-A27 WeakPolarHBondContact CB-O 3.42Å; C22-A27 PolarHBondContact N-O 3.44Å; C22-C42 HydrophobicContact CB-CB 4.07Å; C22-C42 PolarHBondContact SG-N 3.05Å
23	F	97.1	Very high	94.7	Very high	22 Å²	22	54.2 Å²	54.2	10%	0.096	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.9	-177.6	179.5	-105.4	0	0	0	114.7	L21 I39 W40 I41 N80 F83 R84 L87 K102 Y103	L21-F23 PolarHBondContact O-N 3.21Å; F23-I39 HydrophobicContact CB-CB 4.39Å; F23-I39 HydrophobicContact CD1-CD1 3.74Å; F23-I39 HydrophobicContact CD2-CG2 4.41Å; F23-I39 HydrophobicContact CE1-CD1 4.21Å; F23-I39 HydrophobicContact CG-CB 4.42Å; F23-I39 HydrophobicContact CG-CD1 4.24Å; F23-I39 HydrophobicContact CG-CG2 4.42Å; F23-W40 PolarHBondContact N-O 3.07Å; F23-I41 HydrophobicContact CB-CG2 4.45Å; F23-N80 HydrophobicContact CD2-CB 4.18Å; F23-F83 HydrophobicContact CD1-CD1 4.37Å; F23-F83 AromaticContact CE1-CD1 3.55Å; F23-F83 HydrophobicContact CE1-CD1 3.55Å; F23-F83 AromaticContact CE1-CE1 3.59Å; F23-F83 HydrophobicContact CE1-CE1 3.59Å; F23-F83 HydrophobicContact CE2-CB 4.4Å; F23-F83 AromaticContact CE2-CD1 3.81Å; F23-F83 HydrophobicContact CE2-CD1 3.81Å; F23-F83 HydrophobicContact CE2-CG 4.47Å; F23-F83 AromaticContact CZ-CD1 3.22Å; F23-F83 HydrophobicContact CZ-CD1 3.22Å; F23-F83 AromaticContact CZ-CE1 3.62Å; F23-F83 HydrophobicContact CZ-CE1 3.62Å; F23-F83 HydrophobicContact CZ-CG 4.14Å; F23-R84 HydrophobicContact CE2-CB 4.04Å; F23-R84 HydrophobicContact CE2-CG 4.47Å; F23-L87 HydrophobicContact CZ-CD1 4.04Å; F23-K102 VanDerWaalsContact CE1-NZ 3.32Å; F23-Y103 WeakPolarHBondContact CE1-OH 3.31Å
24	E	95.9	Very high	94.8	Very high	50 Å²	50	54 Å²	54	23%	0.234	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-17	-176.5	-56.3	-60.5	168.4	0	0	115.1	C22 C45 H49 L99 K102 Y103	C22-E24 PolarHBondContact O-N 3.08Å; C22-E24 VanDerWaalsContact O-N 3.13Å; E24-C45 HydrophobicContact CB-CB 4.47Å; E24-H49 IonicContact OE1-CE1 2.71Å; E24-H49 IonicContact OE1-NE2 3.14Å; E24-H49 PolarHBondContact OE1-NE2 2.98Å; E24-L99 VanDerWaalsContact CD-CD1 3.48Å; E24-L99 HydrophobicContact CG-CD1 3.88Å; E24-K102 IonicContact OE1-NZ 2.7Å; E24-K102 IonicContact OE2-NZ 2.7Å; E24-K102 PolarHBondContact OE2-NZ 2.86Å; E24-Y103 WeakPolarHBondContact OE1-CE2 3.22Å; E24-Y103 VanDerWaalsContact OE1-CZ 3.27Å; E24-Y103 PolarHBondContact OE1-OH 2.74Å
25	C	96.1	Very high	95	Very high	70 Å²	70	51.9 Å²	51.9	47%	0.473	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.7	10.5	-172.1	70.2	0	0	0	0	115.7	C22 A27	C22-C25 PolarHBondContact O-N 3.11Å; C22-C25 PolarHBondContact SG-SG 3.49Å; C25-A27 PolarHBondContact O-N 2.93Å
26	G	95.3	Very high	95.3	Very high	37 Å²	37	47.4 Å²	47.4	38%	0.381	25%	0.253	S	S	.	.			trans	68.9	-9.8	178.1	0	0	0	0	0	115.9	C22 F28	C22-G26 WeakPolarHBondContact O-CA 3.37Å; C22-G26 PolarHBondContact O-N 3.12Å; G26-F28 PolarHBondContact O-N 3.06Å
27	A	97.1	Very high	95.7	Very high	40 Å²	40	43.2 Å²	43.2	33%	0.331	23%	0.233	S	C	.	.			trans	-54.2	126.9	-176	0	0	0	0	0	113.1	C22 C25 C42	C22-A27 HydrophobicContact CB-CB 4.01Å; C22-A27 WeakPolarHBondContact CB-O 3.42Å; C22-A27 PolarHBondContact N-O 3.44Å; C25-A27 PolarHBondContact O-N 2.93Å; A27-C42 HydrophobicContact CB-CB 4.16Å
28	F	95.8	Very high	96.4	Very high	177 Å²	177	40.9 Å²	40.9	78%	0.776	22%	0.221	S	C	*	.	B	Isolated β-bridge	trans	-64.8	149.4	-171.5	-60.2	-82.3	0	0	0	114.3	L21 G26	L21-F28 HydrophobicContact CD2-CD1 3.37Å; L21-F28 HydrophobicContact CD2-CE1 3.65Å; L21-F28 HydrophobicContact CD2-CG 4.23Å; G26-F28 PolarHBondContact O-N 3.06Å
29	N	94.5	Very high	96.6	Very high	96 Å²	96	36.3 Å²	36.3	51%	0.513	20%	0.199	S	C	.	.	S	Bend	trans	52.6	61	171.5	-169.7	26.8	0	0	0	114	R14 N20 Q31	R14-N29 PolarHBondContact NH1-OD1 3.37Å; N20-N29 PolarHBondContact O-N 3.21Å; N29-Q31 PolarHBondContact ND2-NE2 3.33Å; N29-Q31 PolarHBondContact O-N 3.37Å; N29-Q31 PolarHBondContact O-NE2 2.94Å; N29-Q31 PolarHBondContact OD1-NE2 2.83Å
30	P	96.9	Very high	96.8	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.013	20%	0.199	C	C	.	.			trans	-59.5	131.3	176.5	25.6	-36.4	0	0	0	113	R14 N20 W40 I41	R14-P30 PolarHBondContact NH2-O 2.86Å; N20-P30 VanDerWaalsContact O-CD 3.26Å; N20-P30 WeakPolarHBondContact O-CD 3.31Å; P30-W40 HydrophobicContact CB-CB 4.04Å; P30-W40 HydrophobicContact CG-CB 3.53Å; P30-W40 HydrophobicContact CG-CE3 4.33Å; P30-W40 HydrophobicContact CG-CG 4.46Å; P30-I41 VanDerWaalsContact CB-C 3.43Å; P30-I41 WeakPolarHBondContact CB-O 3.38Å
31	Q	96.8	Very high	96.9	Very high	64 Å²	64	32.2 Å²	32.2	30%	0.299	18%	0.177	S	C	.	.			trans	-104.4	4.8	176	-54	-49.1	-49	0	0	113.9	R14 N29 V62	R14-Q31 VanDerWaalsContact NH2-CD 3.29Å; N29-Q31 PolarHBondContact ND2-NE2 3.33Å; N29-Q31 PolarHBondContact O-N 3.37Å; N29-Q31 PolarHBondContact O-NE2 2.94Å; N29-Q31 PolarHBondContact OD1-NE2 2.83Å; Q31-V62 WeakPolarHBondContact O-CG2 3.47Å; Q31-V62 PolarHBondContact O-N 3.07Å
32	W	98.1	Very high	97	Very high	34 Å²	34	30.7 Å²	30.7	13%	0.129	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	160.3	174.6	-61.2	87.9	0	0	0	109.9	I41 L43 V59 R60 M64	W32-I41 CarbonylContact C-O 3.55Å; W32-I41 HydrophobicContact CB-CG1 3.94Å; W32-I41 WeakPolarHBondContact CB-O 3.47Å; W32-I41 PolarHBondContact N-O 3.36Å; W32-I41 PolarHBondContact O-N 3.09Å; W32-L43 HydrophobicContact CZ2-CD1 3.93Å; W32-L43 VanDerWaalsContact NE1-CD1 3.31Å; W32-V59 HydrophobicContact CE3-CG1 4.06Å; W32-R60 CarbonylContact C-O 3.55Å; W32-R60 WeakPolarHBondContact CA-O 3.21Å; W32-M64 HydrophobicContact CH2-CE 3.66Å; W32-M64 HydrophobicContact CZ2-CE 3.42Å; W32-M64 VanDerWaalsContact CZ2-CE 3.42Å
33	V	97.9	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159.6	178.5	-62.5	0	0	0	0	110.6	V35 I39 W40 V59 R60 V62 W67 M75	V33-V35 HydrophobicContact CG2-CG2 4Å; V33-I39 CarbonylContact C-O 3.49Å; V33-I39 WeakPolarHBondContact CA-O 3.46Å; V33-I39 VanDerWaalsContact CB-O 3.22Å; V33-I39 WeakPolarHBondContact CB-O 3.46Å; V33-W40 HydrophobicContact CG1-CD2 3.68Å; V33-W40 HydrophobicContact CG1-CE3 3.75Å; V33-W40 HydrophobicContact CG1-CG 4.04Å; V33-W40 HydrophobicContact CG1-CZ2 4.5Å; V33-W40 HydrophobicContact CG1-CZ3 4.19Å; V33-V59 WeakPolarHBondContact O-CA 2.9Å; V33-R60 HydrophobicContact CG2-CB 3.93Å; V33-R60 WeakPolarHBondContact CG2-O 3.31Å; V33-R60 PolarHBondContact N-O 3.36Å; V33-R60 PolarHBondContact O-N 2.66Å; V33-V62 HydrophobicContact CG1-CG2 4.08Å; V33-W67 HydrophobicContact CG2-CH2 3.68Å; V33-W67 HydrophobicContact CG2-CZ2 3.86Å; V33-M75 HydrophobicContact CB-CE 3.91Å; V33-M75 HydrophobicContact CB-SD 3.84Å; V33-M75 HydrophobicContact CG1-CE 3.54Å; V33-M75 HydrophobicContact CG1-SD 4.07Å; V33-M75 HydrophobicContact CG2-CE 4.47Å; V33-M75 HydrophobicContact CG2-SD 3.88Å
34	S	97.9	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	100.9	160.4	176.7	0	0	0	0	109.2	T36 Y37 G38 I39 S57	S34-T36 PolarHBondContact O-N 2.77Å; S34-T36 VanDerWaalsContact O-N 3.08Å; S34-Y37 PolarHBondContact O-N 3.45Å; S34-Y37 VanDerWaalsContact O-N 3.08Å; S34-Y37 WeakPolarHBondContact OG-CD2 3.49Å; S34-G38 PolarHBondContact O-N 3.31Å; S34-I39 PolarHBondContact N-O 2.89Å; S34-I39 PolarHBondContact O-N 2.88Å; S34-S57 VanDerWaalsContact CB-OG 3.3Å; S34-S57 WeakPolarHBondContact CB-OG 3.33Å; S34-S57 PolarHBondContact OG-OG 2.83Å
35	V	97.7	Very high	97.1	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.03	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26	-174.1	-175.4	0	0	0	0	112.2	V33 Y37 G38 F58 R60 W67 E71 K74	V33-V35 HydrophobicContact CG2-CG2 4Å; V35-Y37 PolarHBondContact O-N 3.04Å; V35-G38 PolarHBondContact O-N 3.46Å; V35-F58 HydrophobicContact CB-CD1 4.14Å; V35-F58 HydrophobicContact CG2-CD1 4.26Å; V35-F58 PolarHBondContact N-O 3.32Å; V35-R60 HydrophobicContact CG2-CB 3.95Å; V35-R60 HydrophobicContact CG2-CG 3.72Å; V35-W67 HydrophobicContact CG2-CH2 4.23Å; V35-W67 HydrophobicContact CG2-CZ3 4.31Å; V35-E71 HydrophobicContact CG1-CB 3.9Å; V35-E71 HydrophobicContact CG1-CG 4.21Å; V35-K74 HydrophobicContact CG1-CB 4.01Å; V35-K74 HydrophobicContact CG1-CD 4.48Å
36	T	96.7	Very high	97.2	Very high	27 Å²	27	36.7 Å²	36.7	17%	0.166	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23	177.6	-25.6	0	0	0	0	114.4	S34 F58 R112	S34-T36 PolarHBondContact O-N 2.77Å; S34-T36 VanDerWaalsContact O-N 3.08Å; T36-F58 PolarHBondContact OG1-N 3.25Å; T36-R112 HydrophobicContact CG2-CB 4.29Å; T36-R112 HydrophobicContact CG2-CG 3.71Å
37	Y	96.8	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	2.3	179.6	-45.1	-94.7	0	0	0	112.4	S34 V35 I39 L56 G78 F83 Y103 A108 F111 R112	S34-Y37 PolarHBondContact O-N 3.45Å; S34-Y37 VanDerWaalsContact O-N 3.08Å; S34-Y37 WeakPolarHBondContact OG-CD2 3.49Å; V35-Y37 PolarHBondContact O-N 3.04Å; Y37-I39 HydrophobicContact CD2-CD1 4.2Å; Y37-I39 HydrophobicContact CG-CD1 4.42Å; Y37-I39 PolarHBondContact O-N 3.05Å; Y37-L56 WeakPolarHBondContact CE2-O 3.41Å; Y37-L56 VanDerWaalsContact CZ-O 3.3Å; Y37-L56 PolarHBondContact OH-O 3.19Å; Y37-G78 WeakPolarHBondContact O-CA 3.3Å; Y37-F83 HydrophobicContact CD1-CD1 4.5Å; Y37-F83 HydrophobicContact CD1-CD2 4.27Å; Y37-F83 AromaticContact CD1-CE1 3.97Å; Y37-F83 HydrophobicContact CD1-CE1 3.97Å; Y37-F83 AromaticContact CD1-CE2 3.7Å; Y37-F83 HydrophobicContact CD1-CE2 3.7Å; Y37-F83 AromaticContact CD1-CZ 3.53Å; Y37-F83 HydrophobicContact CD1-CZ 3.53Å; Y37-F83 HydrophobicContact CE1-CE2 4.23Å; Y37-F83 AromaticContact CE1-CZ 3.87Å; Y37-F83 HydrophobicContact CE1-CZ 3.87Å; Y37-F83 HydrophobicContact CG-CE1 4.2Å; Y37-F83 HydrophobicContact CG-CZ 4.22Å; Y37-Y103 HydrophobicContact CD1-CE1 4.35Å; Y37-Y103 HydrophobicContact CD2-CD1 4.46Å; Y37-Y103 AromaticContact CD2-CE1 3.93Å; Y37-Y103 HydrophobicContact CD2-CE1 3.93Å; Y37-Y103 AromaticContact CE1-CD1 3.92Å; Y37-Y103 HydrophobicContact CE1-CD1 3.92Å; Y37-Y103 AromaticContact CE1-CE1 4Å; Y37-Y103 HydrophobicContact CE1-CE1 4Å; Y37-Y103 AromaticContact CE2-CD1 3.65Å; Y37-Y103 HydrophobicContact CE2-CD1 3.65Å; Y37-Y103 AromaticContact CE2-CE1 3.55Å; Y37-Y103 HydrophobicContact CE2-CE1 3.55Å; Y37-Y103 HydrophobicContact CG-CE1 4.36Å; Y37-Y103 AromaticContact CZ-CD1 3.36Å; Y37-Y103 AromaticContact CZ-CE1 3.63Å; Y37-Y103 WeakPolarHBondContact OH-CD1 3.39Å; Y37-A108 HydrophobicContact CE1-CB 4.13Å; Y37-F111 AromaticContact CD1-CD1 3.99Å; Y37-F111 HydrophobicContact CD1-CD1 3.99Å; Y37-F111 WeakPolarHBondContact O-CE1 3.48Å; Y37-R112 HydrophobicContact CD1-CG 4.17Å; Y37-R112 HydrophobicContact CE1-CG 3.41Å; Y37-R112 VanDerWaalsContact CE1-CG 3.41Å; Y37-R112 WeakPolarHBondContact OH-CD 3.44Å; Y37-R112 PolarHBondContact OH-NH1 3.02Å
38	G	96.8	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	15.1	-172.7	0	0	0	0	0	115.5	S34 V35 M75	S34-G38 PolarHBondContact O-N 3.31Å; V35-G38 PolarHBondContact O-N 3.46Å; G38-M75 WeakPolarHBondContact O-CE 3.36Å
39	I	97.8	Very high	97.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	157.1	-174.2	62.5	-179.6	0	0	0	113.8	F23 V33 S34 Y37 N80 F83 Y103	F23-I39 HydrophobicContact CB-CB 4.39Å; F23-I39 HydrophobicContact CD1-CD1 3.74Å; F23-I39 HydrophobicContact CD2-CG2 4.41Å; F23-I39 HydrophobicContact CE1-CD1 4.21Å; F23-I39 HydrophobicContact CG-CB 4.42Å; F23-I39 HydrophobicContact CG-CD1 4.24Å; F23-I39 HydrophobicContact CG-CG2 4.42Å; V33-I39 CarbonylContact C-O 3.49Å; V33-I39 WeakPolarHBondContact CA-O 3.46Å; V33-I39 VanDerWaalsContact CB-O 3.22Å; V33-I39 WeakPolarHBondContact CB-O 3.46Å; S34-I39 PolarHBondContact N-O 2.89Å; S34-I39 PolarHBondContact O-N 2.88Å; Y37-I39 HydrophobicContact CD2-CD1 4.2Å; Y37-I39 HydrophobicContact CG-CD1 4.42Å; Y37-I39 PolarHBondContact O-N 3.05Å; I39-N80 WeakPolarHBondContact CA-OD1 3.48Å; I39-N80 WeakPolarHBondContact CB-OD1 3.44Å; I39-F83 HydrophobicContact CD1-CD1 4.17Å; I39-F83 HydrophobicContact CD1-CE1 4.26Å; I39-F83 HydrophobicContact CG2-CB 3.81Å; I39-F83 HydrophobicContact CG2-CD1 3.73Å; I39-F83 HydrophobicContact CG2-CG 4.15Å; I39-Y103 HydrophobicContact CD1-CE1 4.45Å; I39-Y103 WeakPolarHBondContact CD1-OH 3.12Å
40	W	98.1	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.5	-175.1	-62.4	71	0	0	0	111.8	L10 V13 R14 N19 F23 P30 V33 V62 M75 N80	L10-W40 HydrophobicContact CB-CH2 4.15Å; L10-W40 HydrophobicContact CD2-CH2 4.4Å; L10-W40 HydrophobicContact CD2-CZ2 4.45Å; L10-W40 WeakPolarHBondContact O-CH2 3.46Å; V13-W40 HydrophobicContact CB-CZ2 4.3Å; V13-W40 HydrophobicContact CG1-CZ2 3.98Å; R14-W40 HydrophobicContact CB-CH2 3.81Å; R14-W40 HydrophobicContact CB-CZ2 4.03Å; R14-W40 HydrophobicContact CB-CZ3 4.19Å; R14-W40 HydrophobicContact CG-CH2 4.47Å; R14-W40 HydrophobicContact CG-CZ3 4.36Å; R14-W40 VanDerWaalsContact NE-CZ3 3.32Å; N19-W40 VanDerWaalsContact CB-CD1 3.43Å; N19-W40 HydrophobicContact CB-CD2 4.22Å; N19-W40 HydrophobicContact CB-CG 3.92Å; N19-W40 VanDerWaalsContact CG-NE1 3.27Å; F23-W40 PolarHBondContact N-O 3.07Å; P30-W40 HydrophobicContact CB-CB 4.04Å; P30-W40 HydrophobicContact CG-CB 3.53Å; P30-W40 HydrophobicContact CG-CE3 4.33Å; P30-W40 HydrophobicContact CG-CG 4.46Å; V33-W40 HydrophobicContact CG1-CD2 3.68Å; V33-W40 HydrophobicContact CG1-CE3 3.75Å; V33-W40 HydrophobicContact CG1-CG 4.04Å; V33-W40 HydrophobicContact CG1-CZ2 4.5Å; V33-W40 HydrophobicContact CG1-CZ3 4.19Å; W40-V62 HydrophobicContact CE3-CG2 4.11Å; W40-V62 HydrophobicContact CH2-CG2 4.18Å; W40-V62 HydrophobicContact CZ3-CG1 4.31Å; W40-V62 HydrophobicContact CZ3-CG2 3.48Å; W40-V62 VanDerWaalsContact CZ3-CG2 3.48Å; W40-M75 HydrophobicContact CD2-CE 4.38Å; W40-M75 HydrophobicContact CZ2-CE 4.02Å; W40-M75 VanDerWaalsContact NE1-CE 3.31Å; W40-N80 PolarHBondContact N-OD1 3.14Å
41	I	98.2	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.9	-171.3	58.5	-176.5	0	0	0	112.5	F23 P30 W32 C45 H49	F23-I41 HydrophobicContact CB-CG2 4.45Å; P30-I41 VanDerWaalsContact CB-C 3.43Å; P30-I41 WeakPolarHBondContact CB-O 3.38Å; W32-I41 CarbonylContact C-O 3.55Å; W32-I41 HydrophobicContact CB-CG1 3.94Å; W32-I41 WeakPolarHBondContact CB-O 3.47Å; W32-I41 PolarHBondContact N-O 3.36Å; W32-I41 PolarHBondContact O-N 3.09Å; I41-C45 HydrophobicContact CB-CB 4.16Å; I41-H49 HydrophobicContact CD1-CB 4.1Å
42	C	98.1	Very high	97.3	Very high	18 Å²	18	35.2 Å²	35.2	12%	0.122	20%	0.195	C	C	.	.			trans	-73.8	171.8	175.3	73.6	0	0	0	0	111.6	C22 A27 E44 C45 S46	C22-C42 HydrophobicContact CB-CB 4.07Å; C22-C42 PolarHBondContact SG-N 3.05Å; A27-C42 HydrophobicContact CB-CB 4.16Å; C42-E44 PolarHBondContact O-N 2.81Å; C42-C45 PolarHBondContact O-N 3.15Å; C42-C45 PolarHBondContact SG-N 2.95Å; C42-C45 VanDerWaalsContact SG-N 3.41Å; C42-S46 WeakPolarHBondContact O-CB 3.38Å; C42-S46 PolarHBondContact O-N 3.09Å
43	L	96.9	Very high	97.2	Very high	118 Å²	118	34.7 Å²	34.7	62%	0.618	20%	0.2	S	C	*	.	H	α-helix	trans	-56.3	-46.8	179.4	175.5	63	0	0	0	112.3	W32 S46 G47	W32-L43 HydrophobicContact CZ2-CD1 3.93Å; W32-L43 VanDerWaalsContact NE1-CD1 3.31Å; L43-S46 WeakPolarHBondContact O-CB 3.13Å; L43-S46 PolarHBondContact O-N 3.45Å; L43-S46 PolarHBondContact O-OG 3.41Å; L43-G47 PolarHBondContact O-N 3.46Å
44	E	97.6	Very high	97	Very high	146 Å²	146	40.1 Å²	40.1	68%	0.682	23%	0.232	S	C	*	.	H	α-helix	trans	-63.5	-48.1	-179.6	-64.3	166.4	-157.9	0	0	112.1	C42 S46 G47 K48	C42-E44 PolarHBondContact O-N 2.81Å; E44-S46 VanDerWaalsContact C-N 3.28Å; E44-S46 PolarHBondContact O-N 3.25Å; E44-G47 WeakPolarHBondContact O-CA 3.48Å; E44-G47 PolarHBondContact O-N 3.03Å; E44-K48 PolarHBondContact O-N 3.46Å; E44-K48 VanDerWaalsContact O-N 3.14Å
45	C	98.1	Very high	96.8	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-32.6	177.1	-65.8	0	0	0	0	111.3	E24 I41 C42 G47 K48 H49	E24-C45 HydrophobicContact CB-CB 4.47Å; I41-C45 HydrophobicContact CB-CB 4.16Å; C42-C45 PolarHBondContact O-N 3.15Å; C42-C45 PolarHBondContact SG-N 2.95Å; C42-C45 VanDerWaalsContact SG-N 3.41Å; C45-G47 PolarHBondContact O-N 3.02Å; C45-K48 PolarHBondContact O-N 3.36Å; C45-K48 VanDerWaalsContact O-N 3.11Å; C45-H49 WeakPolarHBondContact O-CB 3.28Å; C45-H49 PolarHBondContact O-CD2 3.07Å; C45-H49 PolarHBondContact O-N 3.36Å
46	S	97.6	Very high	96.6	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.028	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-30.8	170.3	92.1	0	0	0	0	112.8	C42 L43 E44 R50	C42-S46 WeakPolarHBondContact O-CB 3.38Å; C42-S46 PolarHBondContact O-N 3.09Å; L43-S46 WeakPolarHBondContact O-CB 3.13Å; L43-S46 PolarHBondContact O-N 3.45Å; L43-S46 PolarHBondContact O-OG 3.41Å; E44-S46 VanDerWaalsContact C-N 3.28Å; E44-S46 PolarHBondContact O-N 3.25Å; S46-R50 WeakPolarHBondContact O-CD 3.38Å; S46-R50 VanDerWaalsContact O-CG 3.22Å; S46-R50 WeakPolarHBondContact O-CG 3.22Å; S46-R50 PolarHBondContact O-N 3.42Å
47	G	97	Very high	96.6	Very high	41 Å²	41	45.4 Å²	45.4	42%	0.423	26%	0.255	S	S	.	.	H	α-helix	trans	-68	-50.2	170.5	0	0	0	0	0	112.1	L43 E44 C45 H49 R50 G51	L43-G47 PolarHBondContact O-N 3.46Å; E44-G47 WeakPolarHBondContact O-CA 3.48Å; E44-G47 PolarHBondContact O-N 3.03Å; C45-G47 PolarHBondContact O-N 3.02Å; G47-H49 VanDerWaalsContact C-N 3.34Å; G47-H49 PolarHBondContact O-N 2.69Å; G47-R50 WeakPolarHBondContact O-CB 3.47Å; G47-R50 PolarHBondContact O-N 3.3Å; G47-R50 VanDerWaalsContact O-N 3.15Å; G47-G51 PolarHBondContact O-N 3.41Å
48	K	97.5	Very high	96.6	Very high	125 Å²	125	48.7 Å²	48.7	54%	0.543	27%	0.27	S	S	.	.	H	α-helix	trans	-58.3	-44.4	177.5	-56.7	178.8	-177.9	176.8	0	112	E44 C45 R50 G51 L99	E44-K48 PolarHBondContact O-N 3.46Å; E44-K48 VanDerWaalsContact O-N 3.14Å; C45-K48 PolarHBondContact O-N 3.36Å; C45-K48 VanDerWaalsContact O-N 3.11Å; K48-R50 VanDerWaalsContact C-N 3.32Å; K48-R50 PolarHBondContact O-N 3.38Å; K48-G51 WeakPolarHBondContact O-CA 3.47Å; K48-G51 PolarHBondContact O-N 3.04Å; K48-L99 HydrophobicContact CB-CD2 3.49Å; K48-L99 VanDerWaalsContact CB-CD2 3.49Å; K48-L99 HydrophobicContact CD-CD2 4.44Å
49	H	97.6	Very high	96.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-33.2	176.9	-84.4	-112.5	0	0	0	113.5	E24 I41 C45 G47 G51 L52 S57 V59 Y103	E24-H49 IonicContact OE1-CE1 2.71Å; E24-H49 IonicContact OE1-NE2 3.14Å; E24-H49 PolarHBondContact OE1-NE2 2.98Å; I41-H49 HydrophobicContact CD1-CB 4.1Å; C45-H49 WeakPolarHBondContact O-CB 3.28Å; C45-H49 PolarHBondContact O-CD2 3.07Å; C45-H49 PolarHBondContact O-N 3.36Å; G47-H49 VanDerWaalsContact C-N 3.34Å; G47-H49 PolarHBondContact O-N 2.69Å; H49-G51 VanDerWaalsContact C-N 3.26Å; H49-G51 PolarHBondContact O-N 2.99Å; H49-L52 WeakPolarHBondContact O-CB 3.43Å; H49-L52 PolarHBondContact O-N 3.38Å; H49-S57 PolarHBondContact ND1-OG 3.5Å; H49-V59 HydrophobicContact CB-CG2 3.5Å; H49-V59 VanDerWaalsContact CB-CG2 3.5Å; H49-Y103 AromaticContact CE1-CE2 3.54Å; H49-Y103 AromaticContact CE1-CZ 3.53Å; H49-Y103 PolarHBondContact CE1-OH 3.13Å; H49-Y103 AromaticContact NE2-CE2 3.9Å
50	R	96.6	Very high	96.7	Very high	126 Å²	126	52 Å²	52	48%	0.475	28%	0.283	S	S	.	.	H	α-helix	trans	-64.8	-32.5	172.8	-72.5	164.4	-172.1	-69.6	-4.4	112	S46 G47 K48 L52 G53 V59	S46-R50 WeakPolarHBondContact O-CD 3.38Å; S46-R50 VanDerWaalsContact O-CG 3.22Å; S46-R50 WeakPolarHBondContact O-CG 3.22Å; S46-R50 PolarHBondContact O-N 3.42Å; G47-R50 WeakPolarHBondContact O-CB 3.47Å; G47-R50 PolarHBondContact O-N 3.3Å; G47-R50 VanDerWaalsContact O-N 3.15Å; K48-R50 VanDerWaalsContact C-N 3.32Å; K48-R50 PolarHBondContact O-N 3.38Å; R50-L52 VanDerWaalsContact C-N 3.25Å; R50-L52 PolarHBondContact O-N 3.32Å; R50-G53 PolarHBondContact O-N 3.37Å; R50-G53 VanDerWaalsContact O-N 3.14Å; R50-V59 HydrophobicContact CG-CB 4.13Å; R50-V59 HydrophobicContact CG-CG1 4.44Å; R50-V59 HydrophobicContact CG-CG2 4.1Å
51	G	95.9	Very high	96.6	Very high	72 Å²	72	52 Å²	52	74%	0.742	28%	0.284	S	S	*	.	H	α-helix	trans	-64.1	-25.3	174.3	0	0	0	0	0	114.2	G47 K48 H49 G53	G47-G51 PolarHBondContact O-N 3.41Å; K48-G51 WeakPolarHBondContact O-CA 3.47Å; K48-G51 PolarHBondContact O-N 3.04Å; H49-G51 VanDerWaalsContact C-N 3.26Å; H49-G51 PolarHBondContact O-N 2.99Å; G51-G53 PolarHBondContact O-N 2.93Å
52	L	94.9	Very high	96.5	Very high	21 Å²	21	52.4 Å²	52.4	11%	0.11	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.1	174.2	-55.3	172.6	0	0	0	113	H49 R50 L56 L99 Q100 Y103	H49-L52 WeakPolarHBondContact O-CB 3.43Å; H49-L52 PolarHBondContact O-N 3.38Å; R50-L52 VanDerWaalsContact C-N 3.25Å; R50-L52 PolarHBondContact O-N 3.32Å; L52-L56 HydrophobicContact CB-CB 4.08Å; L52-L56 HydrophobicContact CB-CD1 4.27Å; L52-L99 HydrophobicContact CD1-CD2 4.33Å; L52-L99 HydrophobicContact CD1-CG 4.36Å; L52-L99 HydrophobicContact CD2-CD2 4.5Å; L52-Q100 HydrophobicContact CD2-CB 4.42Å; L52-Y103 HydrophobicContact CD1-CD2 3.43Å; L52-Y103 VanDerWaalsContact CD1-CD2 3.43Å; L52-Y103 HydrophobicContact CD1-CE2 4.21Å; L52-Y103 HydrophobicContact CD1-CG 3.9Å
53	G	94.7	Very high	96.3	Very high	23 Å²	23	54.2 Å²	54.2	24%	0.237	30%	0.297	C	S	.	.			trans	79.6	156.7	-176.4	0	0	0	0	0	114.3	R50 G51 H55 L56 S57	R50-G53 PolarHBondContact O-N 3.37Å; R50-G53 VanDerWaalsContact O-N 3.14Å; G51-G53 PolarHBondContact O-N 2.93Å; G53-H55 PolarHBondContact O-N 3.35Å; G53-H55 VanDerWaalsContact O-N 3.07Å; G53-L56 PolarHBondContact O-N 3.26Å; G53-L56 VanDerWaalsContact O-N 3.1Å; G53-S57 PolarHBondContact O-N 3.4Å
54	V	95.6	Very high	96.2	Very high	113 Å²	113	53.9 Å²	53.9	69%	0.685	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.1	-167.3	-44.1	0	0	0	0	114.4	F58	V54-F58 HydrophobicContact CB-CD2 4.43Å
55	H	92.1	Very high	96.1	Very high	135 Å²	135	48.6 Å²	48.6	63%	0.625	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-25.6	-178.8	64.7	-80.3	0	0	0	112.5	G53	G53-H55 PolarHBondContact O-N 3.35Å; G53-H55 VanDerWaalsContact O-N 3.07Å
56	L	94.3	Very high	96	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.031	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-42.8	171.3	-61.1	-177.1	0	0	0	111.6	Y37 L52 G53 N104	Y37-L56 WeakPolarHBondContact CE2-O 3.41Å; Y37-L56 VanDerWaalsContact CZ-O 3.3Å; Y37-L56 PolarHBondContact OH-O 3.19Å; L52-L56 HydrophobicContact CB-CB 4.08Å; L52-L56 HydrophobicContact CB-CD1 4.27Å; G53-L56 PolarHBondContact O-N 3.26Å; G53-L56 VanDerWaalsContact O-N 3.1Å; L56-N104 WeakPolarHBondContact CD1-ND2 3.39Å
57	S	96.6	Very high	95.9	Very high	3 Å²	3	58 Å²	58	2%	0.021	31%	0.309	C	S	.	.			trans	-142.6	117.9	-177	-175.6	0	0	0	0	112.8	S34 H49 G53	S34-S57 VanDerWaalsContact CB-OG 3.3Å; S34-S57 WeakPolarHBondContact CB-OG 3.33Å; S34-S57 PolarHBondContact OG-OG 2.83Å; H49-S57 PolarHBondContact ND1-OG 3.5Å; G53-S57 PolarHBondContact O-N 3.4Å
58	F	97.3	Very high	95.9	Very high	68 Å²	68	62.5 Å²	62.5	30%	0.298	32%	0.317	S	S	.	.			trans	-97.4	94.2	177.9	-167	-111.3	0	0	0	110.6	V35 T36 V54 R60 E71	V35-F58 HydrophobicContact CB-CD1 4.14Å; V35-F58 HydrophobicContact CG2-CD1 4.26Å; V35-F58 PolarHBondContact N-O 3.32Å; T36-F58 PolarHBondContact OG1-N 3.25Å; V54-F58 HydrophobicContact CB-CD2 4.43Å; F58-R60 HydrophobicContact CD1-CG 4.35Å; F58-R60 HydrophobicContact CE1-CG 4.18Å; F58-E71 WeakPolarHBondContact CE1-OE1 3.34Å
59	V	98	Very high	95.8	Very high	11 Å²	11	60.8 Å²	60.8	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.1	-171	-178.2	0	0	0	0	112.5	W32 V33 H49 R50	W32-V59 HydrophobicContact CE3-CG1 4.06Å; V33-V59 WeakPolarHBondContact O-CA 2.9Å; H49-V59 HydrophobicContact CB-CG2 3.5Å; H49-V59 VanDerWaalsContact CB-CG2 3.5Å; R50-V59 HydrophobicContact CG-CB 4.13Å; R50-V59 HydrophobicContact CG-CG1 4.44Å; R50-V59 HydrophobicContact CG-CG2 4.1Å
60	R	97.6	Very high	95.7	Very high	58 Å²	58	64.2 Å²	64.2	22%	0.219	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148	177	-73.9	-64.7	-164.9	-153.4	-6	112.9	W32 V33 V35 F58 D65 W67 E71	W32-R60 CarbonylContact C-O 3.55Å; W32-R60 WeakPolarHBondContact CA-O 3.21Å; V33-R60 HydrophobicContact CG2-CB 3.93Å; V33-R60 WeakPolarHBondContact CG2-O 3.31Å; V33-R60 PolarHBondContact N-O 3.36Å; V33-R60 PolarHBondContact O-N 2.66Å; V35-R60 HydrophobicContact CG2-CB 3.95Å; V35-R60 HydrophobicContact CG2-CG 3.72Å; F58-R60 HydrophobicContact CD1-CG 4.35Å; F58-R60 HydrophobicContact CE1-CG 4.18Å; R60-D65 WeakPolarHBondContact CD-OD1 3.47Å; R60-D65 IonicContact CZ-OD1 2.67Å; R60-D65 IonicContact NE-OD1 3.5Å; R60-D65 IonicContact NH1-OD1 2.74Å; R60-D65 PolarHBondContact NH1-OD1 2.94Å; R60-W67 HydrophobicContact CB-CH2 4.49Å; R60-W67 HydrophobicContact CB-CZ2 3.94Å; R60-E71 IonicContact NH2-OE1 3.01Å
61	S	96.9	Very high	95.7	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.4	167.3	177.6	0	0	0	0	110.8	T63 M64 D65 W67	S61-T63 PolarHBondContact O-N 2.58Å; S61-T63 PolarHBondContact OG-N 2.93Å; S61-M64 WeakPolarHBondContact OG-CB 3.46Å; S61-M64 PolarHBondContact OG-N 3.24Å; S61-D65 WeakPolarHBondContact CB-OD2 3.47Å; S61-D65 PolarHBondContact N-OD2 2.94Å; S61-W67 PolarHBondContact O-NE1 3.26Å
62	V	96.3	Very high	95.7	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.055	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.3	176.4	175.8	0	0	0	0	112.2	A2 L10 Q31 V33 W40	A2-V62 WeakPolarHBondContact CB-O 3.24Å; L10-V62 HydrophobicContact CB-CG1 4.21Å; L10-V62 HydrophobicContact CD1-CG1 4.02Å; Q31-V62 WeakPolarHBondContact O-CG2 3.47Å; Q31-V62 PolarHBondContact O-N 3.07Å; V33-V62 HydrophobicContact CG1-CG2 4.08Å; W40-V62 HydrophobicContact CE3-CG2 4.11Å; W40-V62 HydrophobicContact CH2-CG2 4.18Å; W40-V62 HydrophobicContact CZ3-CG1 4.31Å; W40-V62 HydrophobicContact CZ3-CG2 3.48Å; W40-V62 VanDerWaalsContact CZ3-CG2 3.48Å
63	T	94.2	Very high	95.8	Very high	56 Å²	56	57.8 Å²	57.8	34%	0.344	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-38.6	-173.8	56.9	0	0	0	0	114	M1 A2 S61	M1-T63 CarbonylContact C-O 2.83Å; M1-T63 VanDerWaalsContact CA-O 3.25Å; M1-T63 WeakPolarHBondContact CA-O 3.31Å; A2-T63 PolarHBondContact N-O 2.92Å; S61-T63 PolarHBondContact O-N 2.58Å; S61-T63 PolarHBondContact OG-N 2.93Å
64	M	94.3	Very high	95.9	Very high	111 Å²	111	59 Å²	59	55%	0.547	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-32.7	-169	-60.4	-174.3	-72.7	0	0	113.9	M1 W32 S61	M1-M64 WeakPolarHBondContact CA-O 3.25Å; M1-M64 PolarHBondContact N-O 3.11Å; W32-M64 HydrophobicContact CH2-CE 3.66Å; W32-M64 HydrophobicContact CZ2-CE 3.42Å; W32-M64 VanDerWaalsContact CZ2-CE 3.42Å; S61-M64 WeakPolarHBondContact OG-CB 3.46Å; S61-M64 PolarHBondContact OG-N 3.24Å
65	D	95.8	Very high	95.9	Very high	35 Å²	35	53.6 Å²	53.6	19%	0.187	25%	0.253	C	S	.	.	S	Bend	trans	-72.8	167.6	-178.9	-89.6	-76.4	0	0	0	113.3	M1 A2 R60 S61	M1-D65 CarbonylContact C-O 3.58Å; M1-D65 WeakPolarHBondContact CA-O 3.34Å; M1-D65 PolarHBondContact N-O 2.83Å; A2-D65 PolarHBondContact N-O 2.96Å; R60-D65 WeakPolarHBondContact CD-OD1 3.47Å; R60-D65 IonicContact CZ-OD1 2.67Å; R60-D65 IonicContact NE-OD1 3.5Å; R60-D65 IonicContact NH1-OD1 2.74Å; R60-D65 PolarHBondContact NH1-OD1 2.94Å; S61-D65 WeakPolarHBondContact CB-OD2 3.47Å; S61-D65 PolarHBondContact N-OD2 2.94Å
66	K	95	Very high	96.1	Very high	172 Å²	172	51.4 Å²	51.4	75%	0.748	24%	0.241	S	C	*	.			trans	-91.4	148.2	158.8	-69.8	-178.1	-180	178.9	0	108
67	W	96.7	Very high	96.1	Very high	33 Å²	33	51.7 Å²	51.7	13%	0.125	25%	0.245	C	C	.	.			trans	-126.6	142.8	-173.6	-80.2	77.3	0	0	0	111.1	T6 L10 V33 V35 R60 S61 E71 L72 M75	T6-W67 HydrophobicContact CG2-CB 3.57Å; T6-W67 HydrophobicContact CG2-CD2 4.01Å; T6-W67 HydrophobicContact CG2-CG 3.52Å; L10-W67 HydrophobicContact CD1-CD2 4.2Å; L10-W67 HydrophobicContact CD1-CH2 3.9Å; L10-W67 HydrophobicContact CD1-CZ2 3.56Å; L10-W67 HydrophobicContact CD1-CZ3 4.4Å; L10-W67 HydrophobicContact CD2-CH2 3.77Å; L10-W67 HydrophobicContact CD2-CZ2 4.29Å; L10-W67 HydrophobicContact CD2-CZ3 4.08Å; L10-W67 HydrophobicContact CG-CH2 4.48Å; V33-W67 HydrophobicContact CG2-CH2 3.68Å; V33-W67 HydrophobicContact CG2-CZ2 3.86Å; V35-W67 HydrophobicContact CG2-CH2 4.23Å; V35-W67 HydrophobicContact CG2-CZ3 4.31Å; R60-W67 HydrophobicContact CB-CH2 4.49Å; R60-W67 HydrophobicContact CB-CZ2 3.94Å; S61-W67 PolarHBondContact O-NE1 3.26Å; W67-E71 VanDerWaalsContact CA-OE2 3.31Å; W67-E71 WeakPolarHBondContact CA-OE2 3.49Å; W67-E71 HydrophobicContact CE3-CB 3.75Å; W67-E71 HydrophobicContact CZ3-CB 4.07Å; W67-L72 HydrophobicContact CD2-CD2 4.39Å; W67-L72 HydrophobicContact CE3-CD2 3.72Å; W67-L72 HydrophobicContact CE3-CG 4.07Å; W67-L72 HydrophobicContact CZ3-CD2 3.95Å; W67-M75 HydrophobicContact CH2-CG 3.76Å; W67-M75 HydrophobicContact CH2-SD 4.17Å; W67-M75 HydrophobicContact CZ3-CG 3.68Å
68	K	96.1	Very high	96.1	Very high	134 Å²	134	51.6 Å²	51.6	58%	0.583	24%	0.244	S	C	*	.			trans	-98.7	155.8	169.8	-54.1	176.5	-177.8	179.4	0	110.2	I70 E71 L72	K68-I70 HydrophobicContact CB-CG2 4.07Å; K68-I70 HydrophobicContact CD-CG2 4.43Å; K68-I70 PolarHBondContact O-N 3.14Å; K68-E71 HydrophobicContact CB-CB 4.44Å; K68-E71 HydrophobicContact CB-CG 4Å; K68-E71 HydrophobicContact CD-CG 4.49Å; K68-E71 HydrophobicContact CG-CG 4.43Å; K68-E71 PolarHBondContact N-OE2 2.86Å; K68-E71 WeakPolarHBondContact O-CB 3.38Å; K68-E71 PolarHBondContact O-N 2.81Å; K68-L72 PolarHBondContact O-N 3.43Å
69	D	95.1	Very high	96	Very high	89 Å²	89	48.3 Å²	48.3	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-40.1	177.9	-59.6	-77.7	0	0	0	112.4	R5 E71 L72 E73	R5-D69 IonicContact CZ-OD1 3.61Å; R5-D69 IonicContact NH1-OD1 3.84Å; R5-D69 IonicContact NH2-OD1 2.74Å; D69-E71 PolarHBondContact O-N 2.84Å; D69-L72 WeakPolarHBondContact O-CA 3.38Å; D69-L72 WeakPolarHBondContact O-CB 3.42Å; D69-L72 PolarHBondContact O-N 3.34Å; D69-E73 PolarHBondContact O-N 3.05Å
70	I	95.8	Very high	95.9	Very high	72 Å²	72	47.9 Å²	47.9	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-61.1	-26.8	172.8	-171	59.4	0	0	0	113.5	K68 L72 K74 A119 E120	K68-I70 HydrophobicContact CB-CG2 4.07Å; K68-I70 HydrophobicContact CD-CG2 4.43Å; K68-I70 PolarHBondContact O-N 3.14Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-K74 WeakPolarHBondContact O-CG 3.26Å; I70-K74 PolarHBondContact O-N 3.34Å; I70-A119 HydrophobicContact CD1-CB 3.97Å; I70-A119 WeakPolarHBondContact CD1-O 3.34Å; I70-E120 HydrophobicContact CD1-CG 4.5Å
71	E	96.8	Very high	95.8	Very high	13 Å²	13	45.6 Å²	45.6	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-73.5	-29	173.3	-64.6	168.6	163.6	0	0	110.6	V35 F58 R60 W67 K68 D69 M75	V35-E71 HydrophobicContact CG1-CB 3.9Å; V35-E71 HydrophobicContact CG1-CG 4.21Å; F58-E71 WeakPolarHBondContact CE1-OE1 3.34Å; R60-E71 IonicContact NH2-OE1 3.01Å; W67-E71 VanDerWaalsContact CA-OE2 3.31Å; W67-E71 WeakPolarHBondContact CA-OE2 3.49Å; W67-E71 HydrophobicContact CE3-CB 3.75Å; W67-E71 HydrophobicContact CZ3-CB 4.07Å; K68-E71 HydrophobicContact CB-CB 4.44Å; K68-E71 HydrophobicContact CB-CG 4Å; K68-E71 HydrophobicContact CD-CG 4.49Å; K68-E71 HydrophobicContact CG-CG 4.43Å; K68-E71 PolarHBondContact N-OE2 2.86Å; K68-E71 WeakPolarHBondContact O-CB 3.38Å; K68-E71 PolarHBondContact O-N 2.81Å; D69-E71 PolarHBondContact O-N 2.84Å; E71-M75 WeakPolarHBondContact O-CG 3.47Å; E71-M75 PolarHBondContact O-N 2.94Å
72	L	96.3	Very high	95.6	Very high	5 Å²	5	47 Å²	47	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-77.2	-38.8	174.1	-66.1	169.2	0	0	0	112.7	T6 V9 L10 W67 K68 D69 I70 K74 M75 K76	T6-L72 HydrophobicContact CG2-CD1 4.25Å; T6-L72 HydrophobicContact CG2-CD2 3.86Å; T6-L72 HydrophobicContact CG2-CG 4.5Å; V9-L72 HydrophobicContact CG1-CB 4.49Å; V9-L72 HydrophobicContact CG1-CD2 4.37Å; L10-L72 HydrophobicContact CD1-CD2 4.21Å; L10-L72 HydrophobicContact CD2-CD2 3.66Å; L10-L72 HydrophobicContact CG-CD2 3.68Å; W67-L72 HydrophobicContact CD2-CD2 4.39Å; W67-L72 HydrophobicContact CE3-CD2 3.72Å; W67-L72 HydrophobicContact CE3-CG 4.07Å; W67-L72 HydrophobicContact CZ3-CD2 3.95Å; K68-L72 PolarHBondContact O-N 3.43Å; D69-L72 WeakPolarHBondContact O-CA 3.38Å; D69-L72 WeakPolarHBondContact O-CB 3.42Å; D69-L72 PolarHBondContact O-N 3.34Å; I70-L72 VanDerWaalsContact C-N 3.34Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.43Å; L72-M75 WeakPolarHBondContact O-CB 3.21Å; L72-M75 PolarHBondContact O-N 2.83Å; L72-M75 VanDerWaalsContact O-N 3.09Å; L72-K76 PolarHBondContact O-N 2.7Å
73	E	96.6	Very high	95.6	Very high	67 Å²	67	46.6 Å²	46.6	31%	0.313	23%	0.225	S	C	.	.	H	α-helix	trans	-65.3	-35.4	175.8	-56.1	-46	119.2	0	0	111.4	D69 M75 K76 A77 A119	D69-E73 PolarHBondContact O-N 3.05Å; E73-M75 VanDerWaalsContact C-N 3.31Å; E73-M75 PolarHBondContact O-N 3.12Å; E73-K76 PolarHBondContact O-N 2.97Å; E73-K76 VanDerWaalsContact O-N 3.14Å; E73-K76 IonicContact OE1-NZ 2.68Å; E73-K76 PolarHBondContact OE1-NZ 2.7Å; E73-K76 VanDerWaalsContact OE2-CD 3.26Å; E73-K76 WeakPolarHBondContact OE2-CD 3.43Å; E73-K76 IonicContact OE2-NZ 3.58Å; E73-K76 PolarHBondContact OE2-NZ 3.08Å; E73-A77 WeakPolarHBondContact O-CB 3.26Å; E73-A77 PolarHBondContact O-N 3.45Å; E73-A119 HydrophobicContact CB-CB 4.03Å
74	K	96.6	Very high	95.6	Very high	47 Å²	47	47.6 Å²	47.6	20%	0.204	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-33.4	169.7	-72	-171.2	-177	-148.7	0	113.7	V35 I70 L72 K76 G78 V115 A119	V35-K74 HydrophobicContact CG1-CB 4.01Å; V35-K74 HydrophobicContact CG1-CD 4.48Å; I70-K74 WeakPolarHBondContact O-CG 3.26Å; I70-K74 PolarHBondContact O-N 3.34Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.43Å; K74-K76 VanDerWaalsContact C-N 3.33Å; K74-G78 PolarHBondContact O-N 3.18Å; K74-G78 VanDerWaalsContact O-N 3.08Å; K74-V115 HydrophobicContact CB-CG1 3.87Å; K74-V115 HydrophobicContact CD-CG1 4.46Å; K74-V115 HydrophobicContact CG-CG1 4.02Å; K74-A119 HydrophobicContact CB-CB 4.22Å; K74-A119 HydrophobicContact CD-CB 4.46Å; K74-A119 HydrophobicContact CG-CB 3.33Å
75	M	96.8	Very high	95.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-70	-26.9	174.1	-68.5	-59.3	-47.5	0	0	113.2	L10 V13 V33 G38 W40 W67 E71 L72 E73	L10-M75 HydrophobicContact CD2-CB 4.29Å; L10-M75 HydrophobicContact CD2-CG 4.03Å; V13-M75 HydrophobicContact CG1-CB 4.44Å; V13-M75 VanDerWaalsContact CG1-O 3.29Å; V13-M75 WeakPolarHBondContact CG1-O 3.44Å; V33-M75 HydrophobicContact CB-CE 3.91Å; V33-M75 HydrophobicContact CB-SD 3.84Å; V33-M75 HydrophobicContact CG1-CE 3.54Å; V33-M75 HydrophobicContact CG1-SD 4.07Å; V33-M75 HydrophobicContact CG2-CE 4.47Å; V33-M75 HydrophobicContact CG2-SD 3.88Å; G38-M75 WeakPolarHBondContact O-CE 3.36Å; W40-M75 HydrophobicContact CD2-CE 4.38Å; W40-M75 HydrophobicContact CZ2-CE 4.02Å; W40-M75 VanDerWaalsContact NE1-CE 3.31Å; W67-M75 HydrophobicContact CH2-CG 3.76Å; W67-M75 HydrophobicContact CH2-SD 4.17Å; W67-M75 HydrophobicContact CZ3-CG 3.68Å; E71-M75 WeakPolarHBondContact O-CG 3.47Å; E71-M75 PolarHBondContact O-N 2.94Å; L72-M75 WeakPolarHBondContact O-CB 3.21Å; L72-M75 PolarHBondContact O-N 2.83Å; L72-M75 VanDerWaalsContact O-N 3.09Å; E73-M75 VanDerWaalsContact C-N 3.31Å; E73-M75 PolarHBondContact O-N 3.12Å
76	K	94.9	Very high	95.5	Very high	88 Å²	88	46 Å²	46	38%	0.383	22%	0.215	S	C	.	.	H	α-helix	trans	-81.2	-37.1	174	-65.2	165.2	173.1	167.9	0	112.9	V13 L72 E73 K74	V13-K76 HydrophobicContact CG2-CG 3.85Å; L72-K76 PolarHBondContact O-N 2.7Å; E73-K76 PolarHBondContact O-N 2.97Å; E73-K76 VanDerWaalsContact O-N 3.14Å; E73-K76 IonicContact OE1-NZ 2.68Å; E73-K76 PolarHBondContact OE1-NZ 2.7Å; E73-K76 VanDerWaalsContact OE2-CD 3.26Å; E73-K76 WeakPolarHBondContact OE2-CD 3.43Å; E73-K76 IonicContact OE2-NZ 3.58Å; E73-K76 PolarHBondContact OE2-NZ 3.08Å; K74-K76 VanDerWaalsContact C-N 3.33Å
77	A	95.4	Very high	95.3	Very high	13 Å²	13	37.9 Å²	37.9	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-73.4	-32.4	-179.1	0	0	0	0	0	112.8	E73 L118 W384	E73-A77 WeakPolarHBondContact O-CB 3.26Å; E73-A77 PolarHBondContact O-N 3.45Å; A77-L118 HydrophobicContact CB-CB 3.81Å; A77-W384 WeakPolarHBondContact O-CZ2 3.4Å
78	G	95.3	Very high	95.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.			trans	-88.4	-157.2	168.8	0	0	0	0	0	113.1	Y37 K74 K82	Y37-G78 WeakPolarHBondContact O-CA 3.3Å; K74-G78 PolarHBondContact O-N 3.18Å; K74-G78 VanDerWaalsContact O-N 3.08Å; G78-K82 WeakPolarHBondContact O-CD 3.4Å
79	G	95.6	Very high	94.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.			trans	146	153.3	-179.9	0	0	0	0	0	111	F83	G79-F83 WeakPolarHBondContact O-CB 3.41Å; G79-F83 PolarHBondContact O-N 3.36Å
80	N	96.3	Very high	94.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-52.3	-175.6	-73.4	-7.9	0	0	0	111.9	D17 E18 N19 L21 F23 I39 W40 F83 R84	D17-N80 VanDerWaalsContact O-CB 3.3Å; D17-N80 WeakPolarHBondContact O-CB 3.49Å; D17-N80 PolarHBondContact O-N 3.17Å; E18-N80 PolarHBondContact O-ND2 3.45Å; N19-N80 PolarHBondContact OD1-N 2.96Å; L21-N80 PolarHBondContact O-ND2 3.23Å; F23-N80 HydrophobicContact CD2-CB 4.18Å; I39-N80 WeakPolarHBondContact CA-OD1 3.48Å; I39-N80 WeakPolarHBondContact CB-OD1 3.44Å; W40-N80 PolarHBondContact N-OD1 3.14Å; N80-F83 PolarHBondContact O-N 2.54Å; N80-R84 WeakPolarHBondContact O-CB 3.44Å; N80-R84 PolarHBondContact O-N 3.08Å
81	G	95	Very high	94	Very high	10 Å²	10	39.7 Å²	39.7	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-50.2	178	0	0	0	0	0	112.2	D17 F83 R84 L85	D17-G81 PolarHBondContact O-N 3.39Å; G81-F83 VanDerWaalsContact C-N 3.33Å; G81-F83 PolarHBondContact O-N 3.21Å; G81-R84 PolarHBondContact O-N 3.39Å; G81-R84 VanDerWaalsContact O-N 3.12Å; G81-L85 WeakPolarHBondContact O-CB 3.45Å; G81-L85 WeakPolarHBondContact O-CG 3.47Å; G81-L85 PolarHBondContact O-N 3.41Å
82	K	94.1	Very high	93.2	Very high	32 Å²	32	41.9 Å²	41.9	14%	0.139	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-42.2	177.1	-72.3	163.4	-179.3	152	0	113.2	D17 G78 F86 F111 W384	D17-K82 WeakPolarHBondContact OD1-CE 3.39Å; D17-K82 IonicContact OD1-NZ 3.75Å; D17-K82 VanDerWaalsContact OD2-CE 3.28Å; D17-K82 WeakPolarHBondContact OD2-CE 3.39Å; D17-K82 IonicContact OD2-NZ 3.57Å; D17-K82 PolarHBondContact OD2-NZ 3.46Å; G78-K82 WeakPolarHBondContact O-CD 3.4Å; K82-F86 VanDerWaalsContact O-CB 3.28Å; K82-F86 WeakPolarHBondContact O-CB 3.28Å; K82-F86 PolarHBondContact O-N 2.91Å; K82-F111 HydrophobicContact CB-CZ 4.39Å; K82-W384 HydrophobicContact CB-CH2 4.47Å; K82-W384 HydrophobicContact CB-CZ3 4.48Å; K82-W384 HydrophobicContact CD-CH2 3.92Å; K82-W384 HydrophobicContact CD-CZ2 3.82Å; K82-W384 HydrophobicContact CD-CZ3 4.31Å; K82-W384 HydrophobicContact CG-CE3 4.41Å; K82-W384 HydrophobicContact CG-CH2 4.21Å; K82-W384 HydrophobicContact CG-CZ3 4.14Å
83	F	95.3	Very high	92.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.9	-38.2	177	-175	-137.9	0	0	0	111.7	F23 Y37 I39 G79 N80 G81 F86 L87 Y103 A108 F111	F23-F83 HydrophobicContact CD1-CD1 4.37Å; F23-F83 AromaticContact CE1-CD1 3.55Å; F23-F83 HydrophobicContact CE1-CD1 3.55Å; F23-F83 AromaticContact CE1-CE1 3.59Å; F23-F83 HydrophobicContact CE1-CE1 3.59Å; F23-F83 HydrophobicContact CE2-CB 4.4Å; F23-F83 AromaticContact CE2-CD1 3.81Å; F23-F83 HydrophobicContact CE2-CD1 3.81Å; F23-F83 HydrophobicContact CE2-CG 4.47Å; F23-F83 AromaticContact CZ-CD1 3.22Å; F23-F83 HydrophobicContact CZ-CD1 3.22Å; F23-F83 AromaticContact CZ-CE1 3.62Å; F23-F83 HydrophobicContact CZ-CE1 3.62Å; F23-F83 HydrophobicContact CZ-CG 4.14Å; Y37-F83 HydrophobicContact CD1-CD1 4.5Å; Y37-F83 HydrophobicContact CD1-CD2 4.27Å; Y37-F83 AromaticContact CD1-CE1 3.97Å; Y37-F83 HydrophobicContact CD1-CE1 3.97Å; Y37-F83 AromaticContact CD1-CE2 3.7Å; Y37-F83 HydrophobicContact CD1-CE2 3.7Å; Y37-F83 AromaticContact CD1-CZ 3.53Å; Y37-F83 HydrophobicContact CD1-CZ 3.53Å; Y37-F83 HydrophobicContact CE1-CE2 4.23Å; Y37-F83 AromaticContact CE1-CZ 3.87Å; Y37-F83 HydrophobicContact CE1-CZ 3.87Å; Y37-F83 HydrophobicContact CG-CE1 4.2Å; Y37-F83 HydrophobicContact CG-CZ 4.22Å; I39-F83 HydrophobicContact CD1-CD1 4.17Å; I39-F83 HydrophobicContact CD1-CE1 4.26Å; I39-F83 HydrophobicContact CG2-CB 3.81Å; I39-F83 HydrophobicContact CG2-CD1 3.73Å; I39-F83 HydrophobicContact CG2-CG 4.15Å; G79-F83 WeakPolarHBondContact O-CB 3.41Å; G79-F83 PolarHBondContact O-N 3.36Å; N80-F83 PolarHBondContact O-N 2.54Å; G81-F83 VanDerWaalsContact C-N 3.33Å; G81-F83 PolarHBondContact O-N 3.21Å; F83-F86 PolarHBondContact O-N 3.1Å; F83-L87 HydrophobicContact CD1-CD1 4.33Å; F83-L87 HydrophobicContact CD2-CD1 4.45Å; F83-L87 HydrophobicContact CD2-CD2 4.45Å; F83-L87 HydrophobicContact CD2-CG 4.07Å; F83-L87 HydrophobicContact CE1-CD1 3.93Å; F83-L87 HydrophobicContact CE1-CG 4.49Å; F83-L87 HydrophobicContact CE2-CD1 4.07Å; F83-L87 HydrophobicContact CE2-CD2 3.68Å; F83-L87 HydrophobicContact CE2-CG 3.73Å; F83-L87 HydrophobicContact CZ-CD1 3.79Å; F83-L87 HydrophobicContact CZ-CD2 3.9Å; F83-L87 HydrophobicContact CZ-CG 3.97Å; F83-L87 WeakPolarHBondContact O-CG 3.34Å; F83-L87 PolarHBondContact O-N 3.07Å; F83-Y103 AromaticContact CE1-CE1 3.67Å; F83-Y103 HydrophobicContact CE1-CE1 3.67Å; F83-Y103 AromaticContact CZ-CE1 3.88Å; F83-Y103 HydrophobicContact CZ-CE1 3.88Å; F83-A108 HydrophobicContact CZ-CB 4.47Å; F83-F111 HydrophobicContact CB-CD1 4.27Å; F83-F111 HydrophobicContact CB-CE1 3.67Å; F83-F111 HydrophobicContact CB-CE2 4.41Å; F83-F111 HydrophobicContact CB-CZ 3.75Å; F83-F111 HydrophobicContact CD2-CB 3.89Å; F83-F111 AromaticContact CD2-CD1 3.29Å; F83-F111 HydrophobicContact CD2-CD1 3.29Å; F83-F111 AromaticContact CD2-CD2 3.94Å; F83-F111 HydrophobicContact CD2-CD2 3.94Å; F83-F111 AromaticContact CD2-CE1 3.64Å; F83-F111 HydrophobicContact CD2-CE1 3.64Å; F83-F111 HydrophobicContact CD2-CE2 4.24Å; F83-F111 AromaticContact CD2-CG 3.43Å; F83-F111 HydrophobicContact CD2-CG 3.43Å; F83-F111 VanDerWaalsContact CD2-CG 3.43Å; F83-F111 HydrophobicContact CD2-CZ 4.1Å; F83-F111 HydrophobicContact CE2-CB 3.77Å; F83-F111 AromaticContact CE2-CD1 3.85Å; F83-F111 HydrophobicContact CE2-CD1 3.85Å; F83-F111 AromaticContact CE2-CG 3.86Å; F83-F111 HydrophobicContact CE2-CG 3.86Å; F83-F111 AromaticContact CG-CD1 3.98Å; F83-F111 HydrophobicContact CG-CD1 3.98Å; F83-F111 AromaticContact CG-CE1 3.89Å; F83-F111 HydrophobicContact CG-CE1 3.89Å; F83-F111 HydrophobicContact CG-CG 4.46Å; F83-F111 HydrophobicContact CG-CZ 4.33Å
84	R	94.3	Very high	92.4	Very high	76 Å²	76	45.9 Å²	45.9	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-52.1	177.1	-157.1	-165.5	-59.1	105	1.2	111.8	E18 F23 N80 G81 F86 L87 E88	E18-R84 IonicContact OE2-CZ 3.96Å; E18-R84 IonicContact OE2-NH1 3.71Å; E18-R84 PolarHBondContact OE2-NH1 3Å; E18-R84 IonicContact OE2-NH2 3.58Å; E18-R84 PolarHBondContact OE2-NH2 3.35Å; F23-R84 HydrophobicContact CE2-CB 4.04Å; F23-R84 HydrophobicContact CE2-CG 4.47Å; N80-R84 WeakPolarHBondContact O-CB 3.44Å; N80-R84 PolarHBondContact O-N 3.08Å; G81-R84 PolarHBondContact O-N 3.39Å; G81-R84 VanDerWaalsContact O-N 3.12Å; R84-F86 VanDerWaalsContact C-N 3.28Å; R84-F86 PolarHBondContact O-N 3.13Å; R84-L87 WeakPolarHBondContact O-CB 3.48Å; R84-L87 PolarHBondContact O-N 2.79Å; R84-L87 VanDerWaalsContact O-N 3.09Å; R84-E88 WeakPolarHBondContact CD-OE1 3.17Å; R84-E88 VanDerWaalsContact CG-OE1 3.22Å; R84-E88 WeakPolarHBondContact CG-OE1 3.34Å; R84-E88 WeakPolarHBondContact O-CB 3.16Å; R84-E88 WeakPolarHBondContact O-CG 3.2Å; R84-E88 PolarHBondContact O-N 3.1Å
85	L	93.8	Very high	92	Very high	110 Å²	110	48.2 Å²	48.2	58%	0.576	25%	0.245	S	C	*	.	H	α-helix	trans	-58.6	-40.2	176.5	-68.8	173	0	0	0	111.6	G81 E88 L89	G81-L85 WeakPolarHBondContact O-CB 3.45Å; G81-L85 WeakPolarHBondContact O-CG 3.47Å; G81-L85 PolarHBondContact O-N 3.41Å; L85-E88 PolarHBondContact O-N 2.67Å; L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.47Å; L85-L89 PolarHBondContact O-N 2.98Å; L85-L89 VanDerWaalsContact O-N 3.08Å
86	F	93.3	Very high	91.6	Very high	2 Å²	2	55 Å²	55	1%	0.009	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-43.9	174.8	-174.4	-83	0	0	0	112.1	K82 F83 R84 L89 Q90 A107 L110 F111 K114 W124 W387	K82-F86 VanDerWaalsContact O-CB 3.28Å; K82-F86 WeakPolarHBondContact O-CB 3.28Å; K82-F86 PolarHBondContact O-N 2.91Å; F83-F86 PolarHBondContact O-N 3.1Å; R84-F86 VanDerWaalsContact C-N 3.28Å; R84-F86 PolarHBondContact O-N 3.13Å; F86-L89 PolarHBondContact O-N 3.04Å; F86-Q90 HydrophobicContact CD1-CG 4.34Å; F86-Q90 HydrophobicContact CE1-CG 3.96Å; F86-Q90 WeakPolarHBondContact O-CG 3.38Å; F86-A107 WeakPolarHBondContact CE1-O 3.22Å; F86-L110 HydrophobicContact CE1-CB 4.01Å; F86-L110 HydrophobicContact CZ-CB 3.78Å; F86-F111 HydrophobicContact CB-CD2 3.6Å; F86-F111 HydrophobicContact CB-CE2 3.71Å; F86-F111 HydrophobicContact CD1-CB 3.94Å; F86-F111 AromaticContact CD1-CD2 3.66Å; F86-F111 HydrophobicContact CD1-CD2 3.66Å; F86-F111 HydrophobicContact CD1-CG 4.23Å; F86-F111 AromaticContact CD2-CD2 3.8Å; F86-F111 HydrophobicContact CD2-CD2 3.8Å; F86-F111 HydrophobicContact CD2-CE2 4.3Å; F86-F111 HydrophobicContact CE1-CB 4.07Å; F86-F111 HydrophobicContact CE1-CD2 4.32Å; F86-F111 HydrophobicContact CE2-CD2 4.43Å; F86-F111 AromaticContact CG-CD2 3.38Å; F86-F111 HydrophobicContact CG-CD2 3.38Å; F86-F111 AromaticContact CG-CE2 3.97Å; F86-F111 HydrophobicContact CG-CE2 3.97Å; F86-F111 HydrophobicContact CG-CG 4.37Å; F86-K114 HydrophobicContact CD2-CD 4.24Å; F86-K114 HydrophobicContact CE2-CD 4.13Å; F86-W124 HydrophobicContact CE2-CH2 4.09Å; F86-W124 HydrophobicContact CE2-CZ3 4.29Å; F86-W124 HydrophobicContact CZ-CH2 4.19Å; F86-W387 HydrophobicContact CB-CH2 4.4Å; F86-W387 AromaticContact CD2-CH2 3.58Å; F86-W387 HydrophobicContact CD2-CH2 3.58Å; F86-W387 AromaticContact CD2-CZ2 3.96Å; F86-W387 HydrophobicContact CD2-CZ2 3.96Å; F86-W387 HydrophobicContact CE2-CH2 4.34Å; F86-W387 HydrophobicContact CE2-CZ2 4.28Å; F86-W387 HydrophobicContact CG-CH2 4.43Å
87	L	92.4	Very high	91.4	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-48.7	175.9	-70.8	177.2	0	0	0	111.1	F23 F83 R84 L89 Q90 Y93 W97 A107	F23-L87 HydrophobicContact CZ-CD1 4.04Å; F83-L87 HydrophobicContact CD1-CD1 4.33Å; F83-L87 HydrophobicContact CD2-CD1 4.45Å; F83-L87 HydrophobicContact CD2-CD2 4.45Å; F83-L87 HydrophobicContact CD2-CG 4.07Å; F83-L87 HydrophobicContact CE1-CD1 3.93Å; F83-L87 HydrophobicContact CE1-CG 4.49Å; F83-L87 HydrophobicContact CE2-CD1 4.07Å; F83-L87 HydrophobicContact CE2-CD2 3.68Å; F83-L87 HydrophobicContact CE2-CG 3.73Å; F83-L87 HydrophobicContact CZ-CD1 3.79Å; F83-L87 HydrophobicContact CZ-CD2 3.9Å; F83-L87 HydrophobicContact CZ-CG 3.97Å; F83-L87 WeakPolarHBondContact O-CG 3.34Å; F83-L87 PolarHBondContact O-N 3.07Å; R84-L87 WeakPolarHBondContact O-CB 3.48Å; R84-L87 PolarHBondContact O-N 2.79Å; R84-L87 VanDerWaalsContact O-N 3.09Å; L87-L89 PolarHBondContact O-N 2.99Å; L87-Q90 PolarHBondContact O-N 3.48Å; L87-Q90 VanDerWaalsContact O-N 3.11Å; L87-Y93 HydrophobicContact CB-CD2 3.96Å; L87-Y93 HydrophobicContact CB-CE2 4.05Å; L87-Y93 WeakPolarHBondContact O-CB 3.47Å; L87-Y93 VanDerWaalsContact O-CD2 3.31Å; L87-Y93 WeakPolarHBondContact O-CD2 3.21Å; L87-W97 HydrophobicContact CD2-CZ3 4.43Å; L87-A107 HydrophobicContact CD2-CB 3.63Å
88	E	92	Very high	91.3	Very high	88 Å²	88	56.5 Å²	56.5	41%	0.411	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-22.6	-178.5	-73.5	163.1	177.6	0	0	113.3	R84 L85 Y93	R84-E88 WeakPolarHBondContact CD-OE1 3.17Å; R84-E88 VanDerWaalsContact CG-OE1 3.22Å; R84-E88 WeakPolarHBondContact CG-OE1 3.34Å; R84-E88 WeakPolarHBondContact O-CB 3.16Å; R84-E88 WeakPolarHBondContact O-CG 3.2Å; R84-E88 PolarHBondContact O-N 3.1Å; L85-E88 PolarHBondContact O-N 2.67Å; E88-Y93 HydrophobicContact CG-CE1 4Å; E88-Y93 HydrophobicContact CG-CE2 3.83Å
89	L	90.7	Very high	91.2	Very high	66 Å²	66	58.5 Å²	58.5	35%	0.346	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.2	177.5	-168.1	62.5	0	0	0	114	L85 F86 L87 W387	L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.47Å; L85-L89 PolarHBondContact O-N 2.98Å; L85-L89 VanDerWaalsContact O-N 3.08Å; F86-L89 PolarHBondContact O-N 3.04Å; L87-L89 PolarHBondContact O-N 2.99Å; L89-W387 HydrophobicContact CD2-CH2 4.05Å; L89-W387 HydrophobicContact CD2-CZ2 3.79Å
90	Q	88.8	Confident	91	Very high	32 Å²	32	65 Å²	65	15%	0.15	33%	0.332	C	S	.	.	S	Bend	trans	-96.6	142.8	179.2	-58	-56	-102	0	0	113.3	F86 L87 D92 Y93 A107	F86-Q90 HydrophobicContact CD1-CG 4.34Å; F86-Q90 HydrophobicContact CE1-CG 3.96Å; F86-Q90 WeakPolarHBondContact O-CG 3.38Å; L87-Q90 PolarHBondContact O-N 3.48Å; L87-Q90 VanDerWaalsContact O-N 3.11Å; Q90-D92 VanDerWaalsContact CB-OD1 3.31Å; Q90-D92 WeakPolarHBondContact CB-OD1 3.38Å; Q90-D92 PolarHBondContact O-N 3.3Å; Q90-D92 VanDerWaalsContact O-N 3.08Å; Q90-Y93 VanDerWaalsContact O-CB 3.3Å; Q90-Y93 WeakPolarHBondContact O-CB 3.42Å; Q90-Y93 PolarHBondContact O-N 2.75Å; Q90-Y93 VanDerWaalsContact O-N 3.07Å; Q90-A107 HydrophobicContact CB-CB 3.95Å; Q90-A107 HydrophobicContact CG-CB 3.63Å
91	D	84.1	Confident	90.8	Very high	179 Å²	179	69.8 Å²	69.8	96%	0.957	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.7	175.9	-51.6	-45.7	0	0	0	113.9
92	D	80	Confident	90.7	Very high	59 Å²	59	71 Å²	71	32%	0.316	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	0.6	178.9	65.8	-44.9	0	0	0	114.7	Q90 D94 W97 K106 A107	Q90-D92 VanDerWaalsContact CB-OD1 3.31Å; Q90-D92 WeakPolarHBondContact CB-OD1 3.38Å; Q90-D92 PolarHBondContact O-N 3.3Å; Q90-D92 VanDerWaalsContact O-N 3.08Å; D92-D94 PolarHBondContact O-N 2.91Å; D92-W97 WeakPolarHBondContact O-CH2 3.28Å; D92-W97 WeakPolarHBondContact O-CZ2 3.4Å; D92-K106 PolarHBondContact OD2-N 3.35Å; D92-A107 WeakPolarHBondContact OD1-CB 3.3Å; D92-A107 PolarHBondContact OD2-N 2.97Å; D92-A107 VanDerWaalsContact OD2-N 3.12Å
93	Y	88.9	Confident	90.8	Very high	84 Å²	84	69.4 Å²	69.4	33%	0.329	35%	0.35	S	S	.	.			trans	-65.5	126.5	-174	-176.6	-106.4	0	0	0	115.3	L87 E88 Q90 P95 W97	L87-Y93 HydrophobicContact CB-CD2 3.96Å; L87-Y93 HydrophobicContact CB-CE2 4.05Å; L87-Y93 WeakPolarHBondContact O-CB 3.47Å; L87-Y93 VanDerWaalsContact O-CD2 3.31Å; L87-Y93 WeakPolarHBondContact O-CD2 3.21Å; E88-Y93 HydrophobicContact CG-CE1 4Å; E88-Y93 HydrophobicContact CG-CE2 3.83Å; Q90-Y93 VanDerWaalsContact O-CB 3.3Å; Q90-Y93 WeakPolarHBondContact O-CB 3.42Å; Q90-Y93 PolarHBondContact O-N 2.75Å; Q90-Y93 VanDerWaalsContact O-N 3.07Å; Y93-P95 HydrophobicContact CD1-CG 4.41Å; Y93-P95 HydrophobicContact CE1-CB 4.5Å; Y93-P95 HydrophobicContact CE1-CG 3.75Å; Y93-W97 HydrophobicContact CD2-CZ3 4.15Å
94	D	87.9	Confident	90.6	Very high	72 Å²	72	70.4 Å²	70.4	39%	0.385	36%	0.355	S	S	.	.			trans	-124	121.3	166.2	-172.5	-18.7	0	0	0	110.5	D92 N96 W97	D92-D94 PolarHBondContact O-N 2.91Å; D94-N96 PolarHBondContact O-N 3.44Å; D94-N96 VanDerWaalsContact O-N 3.15Å; D94-N96 WeakPolarHBondContact OD1-CB 3.34Å; D94-N96 PolarHBondContact OD1-N 3.28Å; D94-N96 PolarHBondContact OD1-ND2 2.68Å; D94-W97 HydrophobicContact CB-CD2 4.13Å; D94-W97 HydrophobicContact CB-CG 4.01Å; D94-W97 PolarHBondContact O-N 2.71Å
95	P	86.6	Confident	90.5	Very high	97 Å²	97	67.1 Å²	67.1	63%	0.63	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.1	173.5	-24.9	32.5	0	0	0	115.1	Y93	Y93-P95 HydrophobicContact CD1-CG 4.41Å; Y93-P95 HydrophobicContact CE1-CB 4.5Å; Y93-P95 HydrophobicContact CE1-CG 3.75Å
96	N	89.3	Confident	90.3	Very high	144 Å²	144	65.6 Å²	65.6	77%	0.77	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	5.8	-172.9	-58.6	-69.1	0	0	0	114.1	D94 T98	D94-N96 PolarHBondContact O-N 3.44Å; D94-N96 VanDerWaalsContact O-N 3.15Å; D94-N96 WeakPolarHBondContact OD1-CB 3.34Å; D94-N96 PolarHBondContact OD1-N 3.28Å; D94-N96 PolarHBondContact OD1-ND2 2.68Å; N96-T98 PolarHBondContact O-N 3.42Å
97	W	90.1	Very high	90.2	Very high	55 Å²	55	65.5 Å²	65.5	21%	0.208	33%	0.332	C	S	.	.			trans	-49.4	137.5	179.3	-87.2	-30.4	0	0	0	113.4	L87 D92 Y93 D94 E101 K102 A107	L87-W97 HydrophobicContact CD2-CZ3 4.43Å; D92-W97 WeakPolarHBondContact O-CH2 3.28Å; D92-W97 WeakPolarHBondContact O-CZ2 3.4Å; Y93-W97 HydrophobicContact CD2-CZ3 4.15Å; D94-W97 HydrophobicContact CB-CD2 4.13Å; D94-W97 HydrophobicContact CB-CG 4.01Å; D94-W97 PolarHBondContact O-N 2.71Å; W97-E101 HydrophobicContact CG-CB 4.3Å; W97-K102 HydrophobicContact CB-CB 4.01Å; W97-K102 HydrophobicContact CD2-CB 4.46Å; W97-K102 HydrophobicContact CE3-CB 4.17Å; W97-K102 HydrophobicContact CE3-CG 4.08Å; W97-K102 HydrophobicContact CG-CB 4.5Å; W97-A107 HydrophobicContact CH2-CB 4.45Å
98	T	93.6	Very high	90.2	Very high	77 Å²	77	65.3 Å²	65.3	47%	0.472	33%	0.331	S	S	.	.			trans	-66.4	156.8	162.8	70.5	0	0	0	0	110.3	N96 Q100 E101 K102	N96-T98 PolarHBondContact O-N 3.42Å; T98-Q100 PolarHBondContact O-N 2.94Å; T98-Q100 VanDerWaalsContact O-N 3.1Å; T98-E101 WeakPolarHBondContact CB-OE2 3.3Å; T98-E101 VanDerWaalsContact CG2-OE2 3.26Å; T98-E101 WeakPolarHBondContact CG2-OE2 3.29Å; T98-E101 PolarHBondContact N-OE2 3.18Å; T98-E101 PolarHBondContact O-N 2.95Å; T98-E101 VanDerWaalsContact O-N 3.13Å; T98-E101 PolarHBondContact OG1-N 2.97Å; T98-E101 PolarHBondContact OG1-OE2 3.04Å; T98-K102 WeakPolarHBondContact O-CB 3.43Å; T98-K102 PolarHBondContact O-N 3.21Å
99	L	92.8	Very high	90.2	Very high	42 Å²	42	61.3 Å²	61.3	22%	0.22	31%	0.313	C	S	.	.	H	α-helix	trans	-53.4	-34.5	177	-165.7	80.5	0	0	0	112.5	E24 K48 L52 Y103	E24-L99 VanDerWaalsContact CD-CD1 3.48Å; E24-L99 HydrophobicContact CG-CD1 3.88Å; K48-L99 HydrophobicContact CB-CD2 3.49Å; K48-L99 VanDerWaalsContact CB-CD2 3.49Å; K48-L99 HydrophobicContact CD-CD2 4.44Å; L52-L99 HydrophobicContact CD1-CD2 4.33Å; L52-L99 HydrophobicContact CD1-CG 4.36Å; L52-L99 HydrophobicContact CD2-CD2 4.5Å; L99-Y103 HydrophobicContact CD1-CD2 4.19Å; L99-Y103 HydrophobicContact CD1-CE2 3.76Å; L99-Y103 HydrophobicContact CG-CD2 4.17Å; L99-Y103 HydrophobicContact CG-CE2 4.23Å; L99-Y103 VanDerWaalsContact O-CD2 3.28Å; L99-Y103 WeakPolarHBondContact O-CD2 3.42Å; L99-Y103 PolarHBondContact O-N 3.11Å
100	Q	92.3	Very high	90.3	Very high	136 Å²	136	58.3 Å²	58.3	64%	0.636	30%	0.297	S	S	*	.	H	α-helix	trans	-73.2	-42.6	-179.4	-175.5	169.1	-27.2	0	0	111.9	L52 T98 N104	L52-Q100 HydrophobicContact CD2-CB 4.42Å; T98-Q100 PolarHBondContact O-N 2.94Å; T98-Q100 VanDerWaalsContact O-N 3.1Å; Q100-N104 WeakPolarHBondContact O-CB 3.19Å; Q100-N104 PolarHBondContact O-N 2.93Å; Q100-N104 VanDerWaalsContact O-N 3.14Å; Q100-N104 PolarHBondContact O-ND2 3.11Å
101	E	92	Very high	90.6	Very high	101 Å²	101	56.8 Å²	56.8	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-67.1	-49.1	176.9	-68.1	151.1	152	0	0	110.7	W97 T98 Y103 N104 S105	W97-E101 HydrophobicContact CG-CB 4.3Å; T98-E101 WeakPolarHBondContact CB-OE2 3.3Å; T98-E101 VanDerWaalsContact CG2-OE2 3.26Å; T98-E101 WeakPolarHBondContact CG2-OE2 3.29Å; T98-E101 PolarHBondContact N-OE2 3.18Å; T98-E101 PolarHBondContact O-N 2.95Å; T98-E101 VanDerWaalsContact O-N 3.13Å; T98-E101 PolarHBondContact OG1-N 2.97Å; T98-E101 PolarHBondContact OG1-OE2 3.04Å; E101-Y103 PolarHBondContact O-N 2.83Å; E101-Y103 VanDerWaalsContact O-N 3.11Å; E101-N104 CarbonylContact O-C 3.5Å; E101-N104 PolarHBondContact O-N 2.89Å; E101-S105 PolarHBondContact O-N 3.47Å
102	K	93.3	Very high	91.1	Very high	35 Å²	35	49.8 Å²	49.8	15%	0.152	25%	0.25	C	C	.	.	H	α-helix	trans	-47.4	-43.4	178	-173.7	175.9	-179.6	-178.2	0	112.9	F23 E24 W97 T98 S105 A108	F23-K102 VanDerWaalsContact CE1-NZ 3.32Å; E24-K102 IonicContact OE1-NZ 2.7Å; E24-K102 IonicContact OE2-NZ 2.7Å; E24-K102 PolarHBondContact OE2-NZ 2.86Å; W97-K102 HydrophobicContact CB-CB 4.01Å; W97-K102 HydrophobicContact CD2-CB 4.46Å; W97-K102 HydrophobicContact CE3-CB 4.17Å; W97-K102 HydrophobicContact CE3-CG 4.08Å; W97-K102 HydrophobicContact CG-CB 4.5Å; T98-K102 WeakPolarHBondContact O-CB 3.43Å; T98-K102 PolarHBondContact O-N 3.21Å; K102-S105 WeakPolarHBondContact O-CB 3.26Å; K102-S105 PolarHBondContact O-OG 3.48Å; K102-A108 VanDerWaalsContact O-CB 3.31Å; K102-A108 WeakPolarHBondContact O-CB 3.41Å
103	Y	94.7	Very high	91.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-90.6	-14.4	179.7	-72.7	-63.9	0	0	0	115.5	F23 E24 Y37 I39 H49 L52 F83 L99 E101 A108 R112	F23-Y103 WeakPolarHBondContact CE1-OH 3.31Å; E24-Y103 WeakPolarHBondContact OE1-CE2 3.22Å; E24-Y103 VanDerWaalsContact OE1-CZ 3.27Å; E24-Y103 PolarHBondContact OE1-OH 2.74Å; Y37-Y103 HydrophobicContact CD1-CE1 4.35Å; Y37-Y103 HydrophobicContact CD2-CD1 4.46Å; Y37-Y103 AromaticContact CD2-CE1 3.93Å; Y37-Y103 HydrophobicContact CD2-CE1 3.93Å; Y37-Y103 AromaticContact CE1-CD1 3.92Å; Y37-Y103 HydrophobicContact CE1-CD1 3.92Å; Y37-Y103 AromaticContact CE1-CE1 4Å; Y37-Y103 HydrophobicContact CE1-CE1 4Å; Y37-Y103 AromaticContact CE2-CD1 3.65Å; Y37-Y103 HydrophobicContact CE2-CD1 3.65Å; Y37-Y103 AromaticContact CE2-CE1 3.55Å; Y37-Y103 HydrophobicContact CE2-CE1 3.55Å; Y37-Y103 HydrophobicContact CG-CE1 4.36Å; Y37-Y103 AromaticContact CZ-CD1 3.36Å; Y37-Y103 AromaticContact CZ-CE1 3.63Å; Y37-Y103 WeakPolarHBondContact OH-CD1 3.39Å; I39-Y103 HydrophobicContact CD1-CE1 4.45Å; I39-Y103 WeakPolarHBondContact CD1-OH 3.12Å; H49-Y103 AromaticContact CE1-CE2 3.54Å; H49-Y103 AromaticContact CE1-CZ 3.53Å; H49-Y103 PolarHBondContact CE1-OH 3.13Å; H49-Y103 AromaticContact NE2-CE2 3.9Å; L52-Y103 HydrophobicContact CD1-CD2 3.43Å; L52-Y103 VanDerWaalsContact CD1-CD2 3.43Å; L52-Y103 HydrophobicContact CD1-CE2 4.21Å; L52-Y103 HydrophobicContact CD1-CG 3.9Å; F83-Y103 AromaticContact CE1-CE1 3.67Å; F83-Y103 HydrophobicContact CE1-CE1 3.67Å; F83-Y103 AromaticContact CZ-CE1 3.88Å; F83-Y103 HydrophobicContact CZ-CE1 3.88Å; L99-Y103 HydrophobicContact CD1-CD2 4.19Å; L99-Y103 HydrophobicContact CD1-CE2 3.76Å; L99-Y103 HydrophobicContact CG-CD2 4.17Å; L99-Y103 HydrophobicContact CG-CE2 4.23Å; L99-Y103 VanDerWaalsContact O-CD2 3.28Å; L99-Y103 WeakPolarHBondContact O-CD2 3.42Å; L99-Y103 PolarHBondContact O-N 3.11Å; E101-Y103 PolarHBondContact O-N 2.83Å; E101-Y103 VanDerWaalsContact O-N 3.11Å; Y103-A108 HydrophobicContact CD1-CB 4.42Å; Y103-R112 PolarHBondContact O-NH1 2.67Å
104	N	92.4	Very high	91.9	Very high	21 Å²	21	45 Å²	45	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-90.3	-9.4	169.2	-79.3	-76.9	0	0	0	113.5	L56 Q100 E101 W134 P136 P137	L56-N104 WeakPolarHBondContact CD1-ND2 3.39Å; Q100-N104 WeakPolarHBondContact O-CB 3.19Å; Q100-N104 PolarHBondContact O-N 2.93Å; Q100-N104 VanDerWaalsContact O-N 3.14Å; Q100-N104 PolarHBondContact O-ND2 3.11Å; E101-N104 CarbonylContact O-C 3.5Å; E101-N104 PolarHBondContact O-N 2.89Å; N104-W134 PolarHBondContact O-NE1 2.82Å; N104-P136 WeakPolarHBondContact O-CB 3.09Å; N104-P137 WeakPolarHBondContact OD1-CD 3.46Å; N104-P137 VanDerWaalsContact OD1-CG 3.26Å; N104-P137 WeakPolarHBondContact OD1-CG 3.35Å
105	S	91.1	Very high	92.3	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.042	21%	0.212	C	C	.	.	S	Bend	trans	-54.5	161.6	174.8	69.6	0	0	0	0	113.4	E101 K102 A108 A109	E101-S105 PolarHBondContact O-N 3.47Å; K102-S105 WeakPolarHBondContact O-CB 3.26Å; K102-S105 PolarHBondContact O-OG 3.48Å; S105-A108 VanDerWaalsContact OG-CB 3.24Å; S105-A108 WeakPolarHBondContact OG-CB 3.43Å; S105-A108 PolarHBondContact OG-N 3.19Å; S105-A109 PolarHBondContact O-N 2.9Å
106	K	89.8	Confident	92.6	Very high	78 Å²	78	38 Å²	38	34%	0.339	19%	0.19	S	C	.	.	H	α-helix	trans	-74.4	-38	174	176.2	172.8	162.6	171.8	0	110.3	D92 A108 A109 L110 R132	D92-K106 PolarHBondContact OD2-N 3.35Å; K106-A108 VanDerWaalsContact C-N 3.33Å; K106-A108 PolarHBondContact O-N 3.09Å; K106-A109 WeakPolarHBondContact O-CB 3.37Å; K106-A109 PolarHBondContact O-N 3.39Å; K106-A109 VanDerWaalsContact O-N 3.07Å; K106-L110 HydrophobicContact CG-CD1 4.09Å; K106-L110 HydrophobicContact CG-CG 4.35Å; K106-L110 WeakPolarHBondContact O-CG 3.45Å; K106-L110 PolarHBondContact O-N 3.21Å; K106-R132 VanDerWaalsContact CE-O 3.24Å; K106-R132 WeakPolarHBondContact CE-O 3.41Å; K106-R132 PolarHBondContact NZ-O 3.46Å
107	A	91.3	Very high	92.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-49.7	-50.7	170	0	0	0	0	0	112.6	F86 L87 Q90 D92 W97 A109 L110 F111	F86-A107 WeakPolarHBondContact CE1-O 3.22Å; L87-A107 HydrophobicContact CD2-CB 3.63Å; Q90-A107 HydrophobicContact CB-CB 3.95Å; Q90-A107 HydrophobicContact CG-CB 3.63Å; D92-A107 WeakPolarHBondContact OD1-CB 3.3Å; D92-A107 PolarHBondContact OD2-N 2.97Å; D92-A107 VanDerWaalsContact OD2-N 3.12Å; W97-A107 HydrophobicContact CH2-CB 4.45Å; A107-A109 VanDerWaalsContact C-N 3.35Å; A107-A109 PolarHBondContact O-N 2.9Å; A107-L110 PolarHBondContact O-N 3.5Å; A107-F111 PolarHBondContact O-N 2.7Å; A107-F111 VanDerWaalsContact O-N 3.07Å
108	A	93.1	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.9	-38.1	177.4	0	0	0	0	0	112.5	Y37 F83 K102 Y103 S105 K106 F111 R112	Y37-A108 HydrophobicContact CE1-CB 4.13Å; F83-A108 HydrophobicContact CZ-CB 4.47Å; K102-A108 VanDerWaalsContact O-CB 3.31Å; K102-A108 WeakPolarHBondContact O-CB 3.41Å; Y103-A108 HydrophobicContact CD1-CB 4.42Å; S105-A108 VanDerWaalsContact OG-CB 3.24Å; S105-A108 WeakPolarHBondContact OG-CB 3.43Å; S105-A108 PolarHBondContact OG-N 3.19Å; K106-A108 VanDerWaalsContact C-N 3.33Å; K106-A108 PolarHBondContact O-N 3.09Å; A108-F111 PolarHBondContact O-N 3.08Å; A108-R112 WeakPolarHBondContact O-CG 3.38Å; A108-R112 PolarHBondContact O-N 3.28Å
109	A	92.4	Very high	93	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.033	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-43.7	176.9	0	0	0	0	0	112.8	S105 K106 A107 F111 R112 D113 A131 W134	S105-A109 PolarHBondContact O-N 2.9Å; K106-A109 WeakPolarHBondContact O-CB 3.37Å; K106-A109 PolarHBondContact O-N 3.39Å; K106-A109 VanDerWaalsContact O-N 3.07Å; A107-A109 VanDerWaalsContact C-N 3.35Å; A107-A109 PolarHBondContact O-N 2.9Å; A109-F111 VanDerWaalsContact C-N 3.34Å; A109-F111 PolarHBondContact O-N 2.93Å; A109-R112 PolarHBondContact O-N 3.05Å; A109-D113 PolarHBondContact O-N 3.44Å; A109-A131 HydrophobicContact CB-CB 4.02Å; A109-A131 WeakPolarHBondContact O-CB 3.37Å; A109-W134 HydrophobicContact CB-CB 3.64Å; A109-W134 HydrophobicContact CB-CD2 3.73Å; A109-W134 HydrophobicContact CB-CE3 4.4Å; A109-W134 HydrophobicContact CB-CG 3.34Å
110	L	92.5	Very high	93	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-40.6	175.6	-68.1	167.7	0	0	0	111.5	F86 K106 A107 D113 K114 W124 I126 S129 A131	F86-L110 HydrophobicContact CE1-CB 4.01Å; F86-L110 HydrophobicContact CZ-CB 3.78Å; K106-L110 HydrophobicContact CG-CD1 4.09Å; K106-L110 HydrophobicContact CG-CG 4.35Å; K106-L110 WeakPolarHBondContact O-CG 3.45Å; K106-L110 PolarHBondContact O-N 3.21Å; A107-L110 PolarHBondContact O-N 3.5Å; L110-D113 WeakPolarHBondContact O-CB 3.44Å; L110-D113 PolarHBondContact O-N 3.15Å; L110-K114 PolarHBondContact O-N 2.92Å; L110-W124 HydrophobicContact CB-CZ2 4.37Å; L110-W124 HydrophobicContact CD2-CZ2 4.41Å; L110-I126 HydrophobicContact CD1-CD1 4.31Å; L110-I126 HydrophobicContact CD2-CG1 4.31Å; L110-S129 WeakPolarHBondContact CD2-OG 3.22Å; L110-A131 HydrophobicContact CD2-CB 3.98Å; L110-A131 HydrophobicContact CG-CB 4.4Å
111	F	94.4	Very high	92.9	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-71.7	-34.9	178.3	-159.2	-97	0	0	0	113.6	Y37 K82 F83 F86 A107 A108 A109 D113 K114 V115	Y37-F111 AromaticContact CD1-CD1 3.99Å; Y37-F111 HydrophobicContact CD1-CD1 3.99Å; Y37-F111 WeakPolarHBondContact O-CE1 3.48Å; K82-F111 HydrophobicContact CB-CZ 4.39Å; F83-F111 HydrophobicContact CB-CD1 4.27Å; F83-F111 HydrophobicContact CB-CE1 3.67Å; F83-F111 HydrophobicContact CB-CE2 4.41Å; F83-F111 HydrophobicContact CB-CZ 3.75Å; F83-F111 HydrophobicContact CD2-CB 3.89Å; F83-F111 AromaticContact CD2-CD1 3.29Å; F83-F111 HydrophobicContact CD2-CD1 3.29Å; F83-F111 AromaticContact CD2-CD2 3.94Å; F83-F111 HydrophobicContact CD2-CD2 3.94Å; F83-F111 AromaticContact CD2-CE1 3.64Å; F83-F111 HydrophobicContact CD2-CE1 3.64Å; F83-F111 HydrophobicContact CD2-CE2 4.24Å; F83-F111 AromaticContact CD2-CG 3.43Å; F83-F111 HydrophobicContact CD2-CG 3.43Å; F83-F111 VanDerWaalsContact CD2-CG 3.43Å; F83-F111 HydrophobicContact CD2-CZ 4.1Å; F83-F111 HydrophobicContact CE2-CB 3.77Å; F83-F111 AromaticContact CE2-CD1 3.85Å; F83-F111 HydrophobicContact CE2-CD1 3.85Å; F83-F111 AromaticContact CE2-CG 3.86Å; F83-F111 HydrophobicContact CE2-CG 3.86Å; F83-F111 AromaticContact CG-CD1 3.98Å; F83-F111 HydrophobicContact CG-CD1 3.98Å; F83-F111 AromaticContact CG-CE1 3.89Å; F83-F111 HydrophobicContact CG-CE1 3.89Å; F83-F111 HydrophobicContact CG-CG 4.46Å; F83-F111 HydrophobicContact CG-CZ 4.33Å; F86-F111 HydrophobicContact CB-CD2 3.6Å; F86-F111 HydrophobicContact CB-CE2 3.71Å; F86-F111 HydrophobicContact CD1-CB 3.94Å; F86-F111 AromaticContact CD1-CD2 3.66Å; F86-F111 HydrophobicContact CD1-CD2 3.66Å; F86-F111 HydrophobicContact CD1-CG 4.23Å; F86-F111 AromaticContact CD2-CD2 3.8Å; F86-F111 HydrophobicContact CD2-CD2 3.8Å; F86-F111 HydrophobicContact CD2-CE2 4.3Å; F86-F111 HydrophobicContact CE1-CB 4.07Å; F86-F111 HydrophobicContact CE1-CD2 4.32Å; F86-F111 HydrophobicContact CE2-CD2 4.43Å; F86-F111 AromaticContact CG-CD2 3.38Å; F86-F111 HydrophobicContact CG-CD2 3.38Å; F86-F111 AromaticContact CG-CE2 3.97Å; F86-F111 HydrophobicContact CG-CE2 3.97Å; F86-F111 HydrophobicContact CG-CG 4.37Å; A107-F111 PolarHBondContact O-N 2.7Å; A107-F111 VanDerWaalsContact O-N 3.07Å; A108-F111 PolarHBondContact O-N 3.08Å; A109-F111 VanDerWaalsContact C-N 3.34Å; A109-F111 PolarHBondContact O-N 2.93Å; F111-D113 PolarHBondContact O-N 3.22Å; F111-K114 HydrophobicContact CD2-CD 4.42Å; F111-K114 PolarHBondContact O-N 3.38Å; F111-V115 HydrophobicContact CD1-CG2 3.62Å; F111-V115 HydrophobicContact CE1-CG2 3.33Å; F111-V115 HydrophobicContact CG-CG2 4.43Å; F111-V115 HydrophobicContact CZ-CG2 3.92Å; F111-V115 WeakPolarHBondContact O-CB 3.4Å; F111-V115 WeakPolarHBondContact O-CG2 3.26Å; F111-V115 PolarHBondContact O-N 3.36Å
112	R	94.3	Very high	92.8	Very high	31 Å²	31	30.2 Å²	30.2	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-40.1	171.5	-73.8	-170.1	-69.9	-92.2	8.8	111.5	T36 Y37 Y103 A108 A109 A116	T36-R112 HydrophobicContact CG2-CB 4.29Å; T36-R112 HydrophobicContact CG2-CG 3.71Å; Y37-R112 HydrophobicContact CD1-CG 4.17Å; Y37-R112 HydrophobicContact CE1-CG 3.41Å; Y37-R112 VanDerWaalsContact CE1-CG 3.41Å; Y37-R112 WeakPolarHBondContact OH-CD 3.44Å; Y37-R112 PolarHBondContact OH-NH1 3.02Å; Y103-R112 PolarHBondContact O-NH1 2.67Å; A108-R112 WeakPolarHBondContact O-CG 3.38Å; A108-R112 PolarHBondContact O-N 3.28Å; A109-R112 PolarHBondContact O-N 3.05Å; R112-A116 WeakPolarHBondContact O-CB 3.36Å; R112-A116 PolarHBondContact O-N 3.43Å
113	D	93.8	Very high	92.5	Very high	31 Å²	31	37.7 Å²	37.7	17%	0.166	20%	0.203	C	C	.	.	H	α-helix	trans	-69.9	-51.4	177.5	-170.2	67.6	0	0	0	111.1	A109 L110 F111 V115 A116 T117 W124 S129 P130 A131	A109-D113 PolarHBondContact O-N 3.44Å; L110-D113 WeakPolarHBondContact O-CB 3.44Å; L110-D113 PolarHBondContact O-N 3.15Å; F111-D113 PolarHBondContact O-N 3.22Å; D113-V115 PolarHBondContact O-N 3.37Å; D113-A116 WeakPolarHBondContact O-CA 3.19Å; D113-A116 WeakPolarHBondContact O-CB 3.34Å; D113-A116 PolarHBondContact O-N 3.34Å; D113-T117 PolarHBondContact O-N 3.48Å; D113-T117 PolarHBondContact O-OG1 3.41Å; D113-W124 PolarHBondContact OD2-NE1 2.84Å; D113-S129 WeakPolarHBondContact OD2-CA 3.45Å; D113-S129 WeakPolarHBondContact OD2-CB 3.39Å; D113-P130 WeakPolarHBondContact OD1-CD 3.42Å; D113-A131 HydrophobicContact CB-CB 4.21Å
114	K	93	Very high	92.2	Very high	12 Å²	12	39.9 Å²	39.9	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-52	-47.8	175.3	-173.8	173.6	-177.6	173.3	0	112.8	F86 L110 F111 A116 T117 L118 W124 W387	F86-K114 HydrophobicContact CD2-CD 4.24Å; F86-K114 HydrophobicContact CE2-CD 4.13Å; L110-K114 PolarHBondContact O-N 2.92Å; F111-K114 HydrophobicContact CD2-CD 4.42Å; F111-K114 PolarHBondContact O-N 3.38Å; K114-A116 VanDerWaalsContact C-N 3.3Å; K114-A116 PolarHBondContact O-N 3.38Å; K114-T117 PolarHBondContact O-OG1 3.14Å; K114-L118 HydrophobicContact CG-CD1 3.78Å; K114-L118 HydrophobicContact CG-CG 4.47Å; K114-L118 VanDerWaalsContact O-CB 3.31Å; K114-L118 WeakPolarHBondContact O-CB 3.41Å; K114-L118 WeakPolarHBondContact O-CG 3.46Å; K114-L118 PolarHBondContact O-N 3.34Å; K114-L118 VanDerWaalsContact O-N 3.09Å; K114-W124 HydrophobicContact CB-CD2 3.71Å; K114-W124 HydrophobicContact CB-CE3 4.13Å; K114-W124 HydrophobicContact CB-CG 4.02Å; K114-W124 HydrophobicContact CB-CZ2 4.14Å; K114-W124 HydrophobicContact CD-CD2 4.19Å; K114-W124 HydrophobicContact CD-CE3 3.72Å; K114-W124 HydrophobicContact CD-CH2 4.44Å; K114-W124 HydrophobicContact CD-CZ3 3.86Å; K114-W124 HydrophobicContact CG-CB 4.37Å; K114-W124 HydrophobicContact CG-CD2 3.74Å; K114-W124 HydrophobicContact CG-CE3 3.79Å; K114-W124 HydrophobicContact CG-CG 4.02Å; K114-W124 HydrophobicContact CG-CZ3 4.34Å; K114-W387 VanDerWaalsContact NZ-CZ3 3.32Å
115	V	95.6	Very high	91.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-28.4	177.7	172.2	0	0	0	0	112	K74 F111 D113 A119	K74-V115 HydrophobicContact CB-CG1 3.87Å; K74-V115 HydrophobicContact CD-CG1 4.46Å; K74-V115 HydrophobicContact CG-CG1 4.02Å; F111-V115 HydrophobicContact CD1-CG2 3.62Å; F111-V115 HydrophobicContact CE1-CG2 3.33Å; F111-V115 HydrophobicContact CG-CG2 4.43Å; F111-V115 HydrophobicContact CZ-CG2 3.92Å; F111-V115 WeakPolarHBondContact O-CB 3.4Å; F111-V115 WeakPolarHBondContact O-CG2 3.26Å; F111-V115 PolarHBondContact O-N 3.36Å; D113-V115 PolarHBondContact O-N 3.37Å; V115-A119 WeakPolarHBondContact O-CB 3.46Å; V115-A119 PolarHBondContact O-N 2.68Å
116	A	93.9	Very high	90.9	Very high	21 Å²	21	44.4 Å²	44.4	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-72.1	-49.2	175.3	0	0	0	0	0	112.6	R112 D113 K114 A119 E120	R112-A116 WeakPolarHBondContact O-CB 3.36Å; R112-A116 PolarHBondContact O-N 3.43Å; D113-A116 WeakPolarHBondContact O-CA 3.19Å; D113-A116 WeakPolarHBondContact O-CB 3.34Å; D113-A116 PolarHBondContact O-N 3.34Å; K114-A116 VanDerWaalsContact C-N 3.3Å; K114-A116 PolarHBondContact O-N 3.38Å; A116-A119 PolarHBondContact O-N 3.17Å; A116-E120 PolarHBondContact O-N 3.18Å
117	T	93.2	Very high	89.9	Confident	27 Å²	27	45.8 Å²	45.8	17%	0.166	25%	0.249	C	C	.	.	H	α-helix	trans	-69.5	-41.6	-177.9	55.8	0	0	0	0	112.5	D113 K114 A119 E120 G121 K122 W124	D113-T117 PolarHBondContact O-N 3.48Å; D113-T117 PolarHBondContact O-OG1 3.41Å; K114-T117 PolarHBondContact O-OG1 3.14Å; T117-A119 VanDerWaalsContact C-N 3.31Å; T117-A119 PolarHBondContact O-N 2.92Å; T117-E120 CarbonylContact O-C 3.54Å; T117-E120 WeakPolarHBondContact O-CA 3.17Å; T117-E120 WeakPolarHBondContact O-CB 3.44Å; T117-E120 PolarHBondContact O-N 3.41Å; T117-G121 PolarHBondContact O-N 3.04Å; T117-K122 CarbonylContact C-O 3.58Å; T117-K122 PolarHBondContact O-N 2.93Å; T117-W124 WeakPolarHBondContact OG1-CB 3.31Å
118	L	93.4	Very high	88.7	Confident	55 Å²	55	51.3 Å²	51.3	29%	0.288	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-37.2	176.7	-70.1	174.5	0	0	0	111.8	A77 K114 E120 G121 W384	A77-L118 HydrophobicContact CB-CB 3.81Å; K114-L118 HydrophobicContact CG-CD1 3.78Å; K114-L118 HydrophobicContact CG-CG 4.47Å; K114-L118 VanDerWaalsContact O-CB 3.31Å; K114-L118 WeakPolarHBondContact O-CB 3.41Å; K114-L118 WeakPolarHBondContact O-CG 3.46Å; K114-L118 PolarHBondContact O-N 3.34Å; K114-L118 VanDerWaalsContact O-N 3.09Å; L118-E120 PolarHBondContact O-N 3.33Å; L118-G121 PolarHBondContact O-N 3.29Å; L118-W384 HydrophobicContact CD1-CH2 4.4Å; L118-W384 HydrophobicContact CD1-CZ2 4.32Å
119	A	93.8	Very high	87.4	Confident	12 Å²	12	51.6 Å²	51.6	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-72.2	-15.4	174.6	0	0	0	0	0	114	I70 E73 K74 V115 A116 T117 G121	I70-A119 HydrophobicContact CD1-CB 3.97Å; I70-A119 WeakPolarHBondContact CD1-O 3.34Å; E73-A119 HydrophobicContact CB-CB 4.03Å; K74-A119 HydrophobicContact CB-CB 4.22Å; K74-A119 HydrophobicContact CD-CB 4.46Å; K74-A119 HydrophobicContact CG-CB 3.33Å; V115-A119 WeakPolarHBondContact O-CB 3.46Å; V115-A119 PolarHBondContact O-N 2.68Å; A116-A119 PolarHBondContact O-N 3.17Å; T117-A119 VanDerWaalsContact C-N 3.31Å; T117-A119 PolarHBondContact O-N 2.92Å; A119-G121 VanDerWaalsContact C-N 3.33Å
120	E	92.5	Very high	86	Confident	110 Å²	110	56.2 Å²	56.2	51%	0.514	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.2	167.7	-70.6	178.8	-164.8	0	0	112.7	I70 A116 T117 L118 K122	I70-E120 HydrophobicContact CD1-CG 4.5Å; A116-E120 PolarHBondContact O-N 3.18Å; T117-E120 CarbonylContact O-C 3.54Å; T117-E120 WeakPolarHBondContact O-CA 3.17Å; T117-E120 WeakPolarHBondContact O-CB 3.44Å; T117-E120 PolarHBondContact O-N 3.41Å; L118-E120 PolarHBondContact O-N 3.33Å; E120-K122 HydrophobicContact CB-CD 4.18Å; E120-K122 HydrophobicContact CB-CG 4.39Å; E120-K122 WeakPolarHBondContact OE2-CE 3.33Å; E120-K122 IonicContact OE2-NZ 2.66Å; E120-K122 PolarHBondContact OE2-NZ 3.3Å
121	G	89.8	Confident	84.7	Confident	72 Å²	72	56.7 Å²	56.7	74%	0.742	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	23.8	-178.5	0	0	0	0	0	114	T117 L118 A119	T117-G121 PolarHBondContact O-N 3.04Å; L118-G121 PolarHBondContact O-N 3.29Å; A119-G121 VanDerWaalsContact C-N 3.33Å
122	K	90.1	Very high	83.1	Confident	115 Å²	115	62.2 Å²	62.2	50%	0.5	34%	0.34	S	S	.	.			trans	-106.3	141.8	179.9	-62.5	168	-177.1	166.6	0	110.7	T117 E120	T117-K122 CarbonylContact C-O 3.58Å; T117-K122 PolarHBondContact O-N 2.93Å; E120-K122 HydrophobicContact CB-CD 4.18Å; E120-K122 HydrophobicContact CB-CG 4.39Å; E120-K122 WeakPolarHBondContact OE2-CE 3.33Å; E120-K122 IonicContact OE2-NZ 2.66Å; E120-K122 PolarHBondContact OE2-NZ 3.3Å
123	E	86.9	Confident	81.7	Confident	192 Å²	192	67.4 Å²	67.4	90%	0.897	37%	0.37	S	S	*	.			trans	-58.9	142.3	167.5	-65.8	177.8	-177.9	0	0	110.5
124	W	88.6	Confident	80.6	Confident	47 Å²	47	70 Å²	70	18%	0.178	38%	0.378	C	S	.	.			trans	-116.1	131.7	177.4	-175.8	79.9	0	0	0	110.5	F86 L110 D113 K114 T117 I126	F86-W124 HydrophobicContact CE2-CH2 4.09Å; F86-W124 HydrophobicContact CE2-CZ3 4.29Å; F86-W124 HydrophobicContact CZ-CH2 4.19Å; L110-W124 HydrophobicContact CB-CZ2 4.37Å; L110-W124 HydrophobicContact CD2-CZ2 4.41Å; D113-W124 PolarHBondContact OD2-NE1 2.84Å; K114-W124 HydrophobicContact CB-CD2 3.71Å; K114-W124 HydrophobicContact CB-CE3 4.13Å; K114-W124 HydrophobicContact CB-CG 4.02Å; K114-W124 HydrophobicContact CB-CZ2 4.14Å; K114-W124 HydrophobicContact CD-CD2 4.19Å; K114-W124 HydrophobicContact CD-CE3 3.72Å; K114-W124 HydrophobicContact CD-CH2 4.44Å; K114-W124 HydrophobicContact CD-CZ3 3.86Å; K114-W124 HydrophobicContact CG-CB 4.37Å; K114-W124 HydrophobicContact CG-CD2 3.74Å; K114-W124 HydrophobicContact CG-CE3 3.79Å; K114-W124 HydrophobicContact CG-CG 4.02Å; K114-W124 HydrophobicContact CG-CZ3 4.34Å; T117-W124 WeakPolarHBondContact OG1-CB 3.31Å; W124-I126 HydrophobicContact CH2-CB 3.88Å; W124-I126 HydrophobicContact CH2-CG1 4.04Å; W124-I126 HydrophobicContact CZ3-CB 4.19Å
125	S	81.3	Confident	79.3	Confident	51 Å²	51	74.8 Å²	74.8	36%	0.357	41%	0.408	S	S	.	.			trans	-127.5	141.2	171.8	66.7	0	0	0	0	110.1	D127 T128 S129	S125-D127 PolarHBondContact O-N 3.11Å; S125-T128 PolarHBondContact O-N 2.98Å; S125-T128 VanDerWaalsContact OG-CB 3.27Å; S125-T128 WeakPolarHBondContact OG-CB 3.48Å; S125-T128 PolarHBondContact OG-N 2.85Å; S125-T128 PolarHBondContact OG-OG1 3.47Å; S125-S129 PolarHBondContact O-N 3.36Å
126	I	75.8	Confident	77.9	Confident	71 Å²	71	76.9 Å²	76.9	36%	0.364	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-32.1	-178	-165	165.2	0	0	0	111.8	L110 W124 S129	L110-I126 HydrophobicContact CD1-CD1 4.31Å; L110-I126 HydrophobicContact CD2-CG1 4.31Å; W124-I126 HydrophobicContact CH2-CB 3.88Å; W124-I126 HydrophobicContact CH2-CG1 4.04Å; W124-I126 HydrophobicContact CZ3-CB 4.19Å; I126-S129 PolarHBondContact O-N 2.84Å; I126-S129 PolarHBondContact O-OG 3.41Å
127	D	67.4	Low	76.1	Confident	106 Å²	106	80 Å²	80	57%	0.567	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-30.4	178.5	-64.7	-76.7	0	0	0	114.4	S125 R132	S125-D127 PolarHBondContact O-N 3.11Å; D127-R132 IonicContact OD1-CZ 3.52Å; D127-R132 IonicContact OD1-NH1 2.66Å; D127-R132 PolarHBondContact OD1-NH1 3.26Å; D127-R132 IonicContact OD1-NH2 3.57Å
128	T	66.2	Low	74.1	Confident	116 Å²	116	85.5 Å²	85.5	71%	0.712	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.8	177.6	-56.4	0	0	0	0	112.5	S125	S125-T128 PolarHBondContact O-N 2.98Å; S125-T128 VanDerWaalsContact OG-CB 3.27Å; S125-T128 WeakPolarHBondContact OG-CB 3.48Å; S125-T128 PolarHBondContact OG-N 2.85Å; S125-T128 PolarHBondContact OG-OG1 3.47Å
129	S	65.8	Low	72.1	Confident	6 Å²	6	87.9 Å²	87.9	4%	0.042	48%	0.483	C	S	.	.			trans	-63.7	125.1	-176.7	71.2	0	0	0	0	113.1	L110 D113 S125 I126 A131 R132	L110-S129 WeakPolarHBondContact CD2-OG 3.22Å; D113-S129 WeakPolarHBondContact OD2-CA 3.45Å; D113-S129 WeakPolarHBondContact OD2-CB 3.39Å; S125-S129 PolarHBondContact O-N 3.36Å; I126-S129 PolarHBondContact O-N 2.84Å; I126-S129 PolarHBondContact O-OG 3.41Å; S129-A131 PolarHBondContact O-N 2.97Å; S129-R132 WeakPolarHBondContact O-CB 3.44Å; S129-R132 PolarHBondContact O-N 3.23Å; S129-R132 VanDerWaalsContact O-N 3.13Å
130	P	63.5	Low	69.9	Low	101 Å²	101	97.7 Å²	97.7	66%	0.656	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-63.8	-23.2	173.6	26.3	-34.7	0	0	0	112.1	D113 R132	D113-P130 WeakPolarHBondContact OD1-CD 3.42Å; P130-R132 PolarHBondContact O-N 3.42Å
131	A	66.1	Low	67.9	Low	12 Å²	12	97.9 Å²	97.9	10%	0.099	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-68.7	-9.9	175.2	0	0	0	0	0	114.4	A109 L110 D113 S129 N133 W134	A109-A131 HydrophobicContact CB-CB 4.02Å; A109-A131 WeakPolarHBondContact O-CB 3.37Å; L110-A131 HydrophobicContact CD2-CB 3.98Å; L110-A131 HydrophobicContact CG-CB 4.4Å; D113-A131 HydrophobicContact CB-CB 4.21Å; S129-A131 PolarHBondContact O-N 2.97Å; A131-N133 PolarHBondContact O-N 3.21Å; A131-W134 WeakPolarHBondContact O-CB 3.35Å; A131-W134 PolarHBondContact O-N 2.86Å
132	R	60.7	Low	66.1	Low	118 Å²	118	97.5 Å²	97.5	45%	0.445	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-56	-32.8	173.9	-172.9	178.5	-170.2	150.8	12.7	113.1	K106 D127 S129 P130	K106-R132 VanDerWaalsContact CE-O 3.24Å; K106-R132 WeakPolarHBondContact CE-O 3.41Å; K106-R132 PolarHBondContact NZ-O 3.46Å; D127-R132 IonicContact OD1-CZ 3.52Å; D127-R132 IonicContact OD1-NH1 2.66Å; D127-R132 PolarHBondContact OD1-NH1 3.26Å; D127-R132 IonicContact OD1-NH2 3.57Å; S129-R132 WeakPolarHBondContact O-CB 3.44Å; S129-R132 PolarHBondContact O-N 3.23Å; S129-R132 VanDerWaalsContact O-N 3.13Å; P130-R132 PolarHBondContact O-N 3.42Å
133	N	65.3	Low	64.2	Low	140 Å²	140	99.4 Å²	99.4	75%	0.749	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-96.9	18	177.9	-63	-41.9	0	0	0	112.9	A131 T135	A131-N133 PolarHBondContact O-N 3.21Å; N133-T135 PolarHBondContact O-N 3.25Å
134	W	68.9	Low	61.9	Low	86 Å²	86	96.3 Å²	96.3	33%	0.326	55%	0.547	S	S	.	.			trans	-68.7	104.9	175.8	-179.3	-94	0	0	0	110.8	N104 A109 A131	N104-W134 PolarHBondContact O-NE1 2.82Å; A109-W134 HydrophobicContact CB-CB 3.64Å; A109-W134 HydrophobicContact CB-CD2 3.73Å; A109-W134 HydrophobicContact CB-CE3 4.4Å; A109-W134 HydrophobicContact CB-CG 3.34Å; A131-W134 WeakPolarHBondContact O-CB 3.35Å; A131-W134 PolarHBondContact O-N 2.86Å
135	T	67.3	Low	59.9	Low	111 Å²	111	98 Å²	98	68%	0.681	57%	0.566	S	S	*	*			trans	-86.6	119.5	166.8	-50	0	0	0	0	108.4	N133	N133-T135 PolarHBondContact O-N 3.25Å
136	P	64.9	Low	58.1	Low	46 Å²	46	101 Å²	101	30%	0.299	59%	0.587	S	S	.	*			trans	-54.9	140.1	173.6	-25.8	34.9	0	0	0	110.9	N104 Q138	N104-P136 WeakPolarHBondContact O-CB 3.09Å; P136-Q138 PolarHBondContact O-N 3.27Å
137	P	57.4	Low	56.5	Low	86 Å²	86	106.8 Å²	106.8	56%	0.558	61%	0.612	S	S	*	*			trans	-67	94.2	-179.2	27.3	-34.5	0	0	0	110.5	N104	N104-P137 WeakPolarHBondContact OD1-CD 3.46Å; N104-P137 VanDerWaalsContact OD1-CG 3.26Å; N104-P137 WeakPolarHBondContact OD1-CG 3.35Å
138	Q	50.3	Low	55.2	Low	142 Å²	142	113.3 Å²	113.3	66%	0.664	63%	0.629	S	S	*	*			trans	-56.7	139.7	174.7	-67.7	-63.9	-41.8	0	0	110.3	P136 K140	P136-Q138 PolarHBondContact O-N 3.27Å; Q138-K140 PolarHBondContact O-N 2.88Å
139	P	52	Low	54.1	Low	106 Å²	106	114.1 Å²	114.1	69%	0.688	64%	0.639	S	S	*	*			trans	-57.6	132.2	168.4	26.6	-33.3	0	0	0	108.4	S141	P139-S141 VanDerWaalsContact C-N 3.27Å; P139-S141 PolarHBondContact O-N 3.41Å
140	K	46.8	Very low	52.7	Low	217 Å²	217	117.6 Å²	117.6	94%	0.943	68%	0.675	S	S	*	*			trans	-72.4	75.4	-171.1	-71.4	-175.6	177.6	178.7	0	112.6	Q138 G142	Q138-K140 PolarHBondContact O-N 2.88Å; K140-G142 PolarHBondContact O-N 3.4Å
141	S	51	Low	51.4	Low	115 Å²	115	116.5 Å²	116.5	80%	0.804	68%	0.683	S	S	*	*			trans	-70	107.8	166.3	57.3	0	0	0	0	110.3	P139	P139-S141 VanDerWaalsContact C-N 3.27Å; P139-S141 PolarHBondContact O-N 3.41Å
142	G	51.4	Low	50.1	Low	63 Å²	63	122.3 Å²	122.3	65%	0.649	72%	0.722	S	S	*	*	S	Bend	trans	60.7	100.7	155.1	0	0	0	0	0	118.9	K140	K140-G142 PolarHBondContact O-N 3.4Å
143	L	50	Low	49	Very low	155 Å²	155	120.1 Å²	120.1	81%	0.812	74%	0.737	S	S	*	*			trans	41.7	101.9	136.6	-68.6	142.3	0	0	0	119.2	S145	L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 3.42Å
144	S	39.3	Very low	47.8	Very low	128 Å²	128	123.1 Å²	123.1	90%	0.895	75%	0.746	S	S	*	*			trans	-83.7	75.3	146.5	-62.3	0	0	0	0	109.8	S146	S144-S146 PolarHBondContact O-N 2.9Å
145	S	46.5	Very low	46.3	Very low	82 Å²	82	126.7 Å²	126.7	57%	0.573	77%	0.772	S	S	*	*			trans	-78.2	99.3	176.1	43.9	0	0	0	0	111.1	L143 H147	L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 3.42Å; S145-H147 PolarHBondContact O-N 3Å; S145-H147 VanDerWaalsContact O-N 3.07Å
146	S	43.3	Very low	45.5	Very low	115 Å²	115	127 Å²	127	80%	0.804	78%	0.775	S	S	*	*			trans	-55.2	112.8	178.7	-56.2	0	0	0	0	112	S144 R148	S144-S146 PolarHBondContact O-N 2.9Å; S146-R148 PolarHBondContact O-N 2.8Å
147	H	43.4	Very low	44.2	Very low	191 Å²	191	131.3 Å²	131.3	88%	0.884	80%	0.801	S	S	*	*			trans	-56.2	124.5	179	-65	-67.3	0	0	0	111.9	S145	S145-H147 PolarHBondContact O-N 3Å; S145-H147 VanDerWaalsContact O-N 3.07Å
148	R	39.1	Very low	43.9	Very low	244 Å²	244	132.6 Å²	132.6	92%	0.921	81%	0.812	S	S	*	*			trans	-115.5	124.1	158.4	-79.5	-171.2	170.3	-125.5	-0.5	109	S146	S146-R148 PolarHBondContact O-N 2.8Å
149	S	44	Very low	43.7	Very low	133 Å²	133	128.8 Å²	128.8	93%	0.93	80%	0.801	S	S	*	*			trans	-71.8	130.6	-178	-43.9	0	0	0	0	111.5
150	G	35.1	Very low	43.7	Very low	78 Å²	78	126.7 Å²	126.7	80%	0.804	80%	0.798	S	S	*	*			trans	-179.9	102.5	174.2	0	0	0	0	0	115.9
151	G	36.9	Very low	44.1	Very low	78 Å²	78	122 Å²	122	80%	0.804	78%	0.784	S	S	*	*			trans	65.9	89.3	145.6	0	0	0	0	0	120.7
152	S	39.5	Very low	44.3	Very low	134 Å²	134	123.8 Å²	123.8	94%	0.937	78%	0.777	S	S	*	*			trans	29.3	113.5	135.1	175.3	0	0	0	0	120
153	G	37.1	Very low	44.6	Very low	72 Å²	72	124.7 Å²	124.7	74%	0.742	78%	0.778	S	S	*	*			trans	-166.6	32.5	178.1	0	0	0	0	0	121.6
154	Q	39.2	Very low	45.1	Very low	204 Å²	204	123.2 Å²	123.2	95%	0.953	77%	0.766	S	S	*	*			trans	66.7	-175.9	170.5	-54.3	-171.1	2.9	0	0	117.3
155	N	37.6	Very low	45.8	Very low	161 Å²	161	122.8 Å²	122.8	86%	0.861	75%	0.749	S	S	*	*			trans	-112.3	166.3	-153	-96.8	-24.3	0	0	0	114.5
156	P	51.8	Low	46.1	Very low	116 Å²	116	124.9 Å²	124.9	75%	0.753	75%	0.754	S	S	*	*			trans	-92.7	158.1	-154.2	35.6	-37.9	0	0	0	116.5
157	V	36.6	Very low	47.2	Very low	138 Å²	138	126.6 Å²	126.6	84%	0.836	74%	0.743	S	S	*	*			trans	-129.5	139.4	159.1	161.9	0	0	0	0	108.6
158	S	51.6	Low	48	Very low	112 Å²	112	120.8 Å²	120.8	78%	0.783	72%	0.718	S	S	*	*			trans	-69.1	136.4	179.9	-174	0	0	0	0	112.5
159	S	45.3	Very low	48.7	Very low	62 Å²	62	111.9 Å²	111.9	43%	0.434	69%	0.693	S	S	.	*			trans	-167.7	83.3	164.7	-73.4	0	0	0	0	109.3	D161	S159-D161 PolarHBondContact O-N 3.4Å
160	G	53.3	Low	49.1	Very low	62 Å²	62	111.4 Å²	111.4	64%	0.639	68%	0.68	S	S	*	*	S	Bend	trans	-67.8	-26	172.5	0	0	0	0	0	112.4	K162	G160-K162 PolarHBondContact O-N 3.38Å
161	D	53.6	Low	49.7	Very low	120 Å²	120	111.7 Å²	111.7	64%	0.642	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-23.2	-167.8	-40.5	-81.6	0	0	0	113.1	S159 A163 F164 E165	S159-D161 PolarHBondContact O-N 3.4Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.14Å; D161-F164 WeakPolarHBondContact O-CB 3.48Å; D161-F164 PolarHBondContact O-N 2.84Å; D161-E165 PolarHBondContact O-N 3.04Å
162	K	54.9	Low	50.2	Low	152 Å²	152	112.9 Å²	112.9	66%	0.661	66%	0.655	S	S	*	*	H	α-helix	trans	-62.8	-36.1	-177.7	-77.1	-173.1	177.9	-173.6	0	113.4	G160 F164 D166	G160-K162 PolarHBondContact O-N 3.38Å; K162-F164 PolarHBondContact O-N 3.35Å; K162-D166 VanDerWaalsContact O-CB 3.3Å; K162-D166 WeakPolarHBondContact O-CB 3.35Å; K162-D166 PolarHBondContact O-N 3.11Å
163	A	59.6	Low	50.5	Low	82 Å²	82	112.1 Å²	112.1	68%	0.678	64%	0.64	S	S	*	*	H	α-helix	trans	-72.6	-14.6	177.5	0	0	0	0	0	113.2	D161	D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.14Å
164	F	58.7	Low	51	Low	124 Å²	124	112.4 Å²	112.4	54%	0.544	63%	0.631	S	S	.	*	H	α-helix	trans	-93	-42.6	175.7	-177.2	-113	0	0	0	111.3	D161 K162 D166 W167 L168	D161-F164 WeakPolarHBondContact O-CB 3.48Å; D161-F164 PolarHBondContact O-N 2.84Å; K162-F164 PolarHBondContact O-N 3.35Å; F164-D166 VanDerWaalsContact C-N 3.35Å; F164-D166 PolarHBondContact O-N 3.15Å; F164-W167 HydrophobicContact CD2-CE3 4.25Å; F164-W167 HydrophobicContact CE2-CE3 4.13Å; F164-W167 HydrophobicContact CE2-CZ3 4.19Å; F164-W167 PolarHBondContact O-N 3.25Å; F164-L168 HydrophobicContact CD1-CD1 3.97Å; F164-L168 HydrophobicContact CE1-CD1 3.56Å; F164-L168 HydrophobicContact CE1-CG 4.37Å; F164-L168 HydrophobicContact CZ-CD1 3.87Å; F164-L168 HydrophobicContact CZ-CD2 4.46Å; F164-L168 HydrophobicContact CZ-CG 4.31Å; F164-L168 WeakPolarHBondContact O-CG 3.47Å; F164-L168 PolarHBondContact O-N 2.99Å
165	E	54.4	Low	51.4	Low	118 Å²	118	112.3 Å²	112.3	55%	0.551	62%	0.623	S	S	*	*	H	α-helix	trans	-58.6	-41.9	170.7	-88.7	-74.3	138.8	0	0	112.7	D161 W167 L168 S169	D161-E165 PolarHBondContact O-N 3.04Å; E165-W167 VanDerWaalsContact C-N 3.32Å; E165-W167 PolarHBondContact O-N 3.27Å; E165-L168 PolarHBondContact O-N 3.47Å; E165-S169 WeakPolarHBondContact O-CB 3.44Å; E165-S169 PolarHBondContact O-N 2.74Å; E165-S169 PolarHBondContact O-OG 3.47Å
166	D	54.2	Low	51.7	Low	127 Å²	127	112.6 Å²	112.6	68%	0.679	62%	0.619	S	S	*	*	H	α-helix	trans	-63.8	-38.7	178.8	-155.7	48.5	0	0	0	111.1	K162 F164 S169 D170	K162-D166 VanDerWaalsContact O-CB 3.3Å; K162-D166 WeakPolarHBondContact O-CB 3.35Å; K162-D166 PolarHBondContact O-N 3.11Å; F164-D166 VanDerWaalsContact C-N 3.35Å; F164-D166 PolarHBondContact O-N 3.15Å; D166-S169 PolarHBondContact O-N 2.77Å; D166-D170 PolarHBondContact O-N 3.28Å
167	W	65.3	Low	51.1	Low	151 Å²	151	112.3 Å²	112.3	57%	0.572	62%	0.62	S	S	*	*	H	α-helix	trans	-68.9	-44.2	175.1	-179.2	57.3	0	0	0	112.9	F164 E165 S169 D170	F164-W167 HydrophobicContact CD2-CE3 4.25Å; F164-W167 HydrophobicContact CE2-CE3 4.13Å; F164-W167 HydrophobicContact CE2-CZ3 4.19Å; F164-W167 PolarHBondContact O-N 3.25Å; E165-W167 VanDerWaalsContact C-N 3.32Å; E165-W167 PolarHBondContact O-N 3.27Å; W167-S169 PolarHBondContact O-N 2.77Å; W167-D170 PolarHBondContact O-N 3.4Å
168	L	60	Low	51	Low	69 Å²	69	110 Å²	110	36%	0.361	62%	0.624	S	S	.	*	H	α-helix	trans	-64.8	-29	175.1	-68.8	178.2	0	0	0	112.6	F164 E165 V172	F164-L168 HydrophobicContact CD1-CD1 3.97Å; F164-L168 HydrophobicContact CE1-CD1 3.56Å; F164-L168 HydrophobicContact CE1-CG 4.37Å; F164-L168 HydrophobicContact CZ-CD1 3.87Å; F164-L168 HydrophobicContact CZ-CD2 4.46Å; F164-L168 HydrophobicContact CZ-CG 4.31Å; F164-L168 WeakPolarHBondContact O-CG 3.47Å; F164-L168 PolarHBondContact O-N 2.99Å; E165-L168 PolarHBondContact O-N 3.47Å; L168-V172 WeakPolarHBondContact O-CG2 3.49Å
169	S	55	Low	50.1	Low	56 Å²	56	108.6 Å²	108.6	39%	0.392	63%	0.627	S	S	.	*	H	α-helix	trans	-73.8	-33	179.1	-61.6	0	0	0	0	113.5	E165 D166 W167 N173	E165-S169 WeakPolarHBondContact O-CB 3.44Å; E165-S169 PolarHBondContact O-N 2.74Å; E165-S169 PolarHBondContact O-OG 3.47Å; D166-S169 PolarHBondContact O-N 2.77Å; W167-S169 PolarHBondContact O-N 2.77Å; S169-N173 PolarHBondContact O-N 3.17Å
170	D	50.5	Low	49.5	Very low	124 Å²	124	109.2 Å²	109.2	66%	0.663	64%	0.644	S	S	*	*	H	α-helix	trans	-69.6	-47.8	-177.7	-161.8	40.2	0	0	0	111.5	D166 W167 V172 N173 S174	D166-D170 PolarHBondContact O-N 3.28Å; W167-D170 PolarHBondContact O-N 3.4Å; D170-V172 VanDerWaalsContact C-N 3.31Å; D170-V172 PolarHBondContact O-N 3.35Å; D170-N173 PolarHBondContact O-N 3.43Å; D170-S174 PolarHBondContact O-N 2.82Å
171	D	47.6	Very low	48.5	Very low	83 Å²	83	118.1 Å²	118.1	44%	0.444	66%	0.66	S	S	.	*	H	α-helix	trans	-60.2	-38.6	177.2	-91.9	-34.4	0	0	0	112.2	S174 Y175	D171-S174 PolarHBondContact O-N 2.75Å; D171-S174 PolarHBondContact O-OG 3.33Å; D171-Y175 WeakPolarHBondContact O-CD2 3.38Å
172	V	49.3	Very low	47.6	Very low	103 Å²	103	118.4 Å²	118.4	62%	0.624	67%	0.671	S	S	*	*	H	α-helix	trans	-68.6	-40	-178.1	167.4	0	0	0	0	112.8	L168 D170 S174	L168-V172 WeakPolarHBondContact O-CG2 3.49Å; D170-V172 VanDerWaalsContact C-N 3.31Å; D170-V172 PolarHBondContact O-N 3.35Å; V172-S174 VanDerWaalsContact C-N 3.29Å; V172-S174 PolarHBondContact O-N 3.48Å
173	N	45.1	Very low	46.6	Very low	119 Å²	119	114.4 Å²	114.4	64%	0.636	67%	0.673	S	S	*	*	H	α-helix	trans	-69.2	-26.7	179.7	-95.7	-29.1	0	0	0	113	S169 D170 Y175 Q176	S169-N173 PolarHBondContact O-N 3.17Å; D170-N173 PolarHBondContact O-N 3.43Å; N173-Y175 PolarHBondContact O-N 2.74Å; N173-Q176 PolarHBondContact O-N 3.33Å
174	S	47.9	Very low	45.4	Very low	78 Å²	78	117.8 Å²	117.8	55%	0.545	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.4	-24.3	-175.3	76.7	0	0	0	0	114.5	D170 D171 V172	D170-S174 PolarHBondContact O-N 2.82Å; D171-S174 PolarHBondContact O-N 2.75Å; D171-S174 PolarHBondContact O-OG 3.33Å; V172-S174 VanDerWaalsContact C-N 3.29Å; V172-S174 PolarHBondContact O-N 3.48Å
175	Y	46.3	Very low	44.5	Very low	201 Å²	201	119 Å²	119	79%	0.788	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-7.4	-176.2	-63.3	-69.1	0	0	0	114.9	D171 N173	D171-Y175 WeakPolarHBondContact O-CD2 3.38Å; N173-Y175 PolarHBondContact O-N 2.74Å
176	Q	44.7	Very low	43.7	Very low	167 Å²	167	120.3 Å²	120.3	78%	0.78	69%	0.694	S	S	*	*	S	Bend	trans	-131.2	49.6	-171.5	-158.7	173.6	-22.8	0	0	114.4	N173	N173-Q176 PolarHBondContact O-N 3.33Å
177	S	39	Very low	43.2	Very low	111 Å²	111	122.4 Å²	122.4	78%	0.776	71%	0.705	S	S	*	*			trans	-148.3	85.2	163.7	-84.7	0	0	0	0	113	G179	S177-G179 PolarHBondContact O-N 2.99Å
178	G	34.4	Very low	42	Very low	89 Å²	89	126 Å²	126	92%	0.918	72%	0.718	S	S	*	*			trans	-84.2	99.2	173.1	0	0	0	0	0	113
179	G	33.1	Very low	41.1	Very low	82 Å²	82	132.4 Å²	132.4	85%	0.845	74%	0.739	S	S	*	*			trans	92.4	139.9	161.8	0	0	0	0	0	116.6	S177	S177-G179 PolarHBondContact O-N 2.99Å
180	G	31.6	Very low	40.9	Very low	76 Å²	76	135.9 Å²	135.9	78%	0.784	76%	0.757	S	S	*	*			trans	143.3	115.7	172.8	0	0	0	0	0	113.8	S182	G180-S182 PolarHBondContact O-N 3.33Å
181	Y	33.2	Very low	40	Very low	248 Å²	248	132.1 Å²	132.1	97%	0.973	75%	0.748	S	S	*	*			trans	-63.4	120.5	-177.8	-53.4	-97.7	0	0	0	114.3
182	S	34.4	Very low	39.4	Very low	126 Å²	126	138.2 Å²	138.2	88%	0.881	77%	0.771	S	S	*	*			trans	-170.6	147.6	147.4	-159.1	0	0	0	0	109.7	G180	G180-S182 PolarHBondContact O-N 3.33Å
183	G	34.3	Very low	38.6	Very low	68 Å²	68	136.8 Å²	136.8	70%	0.701	78%	0.778	S	S	*	*			cis	149	34.2	-4.9	0	0	0	0	0	116.1
184	N	33.4	Very low	38.1	Very low	154 Å²	154	138.6 Å²	138.6	82%	0.824	79%	0.787	S	S	*	*			trans	-154.9	163.8	165.3	-137.5	-21.8	0	0	0	115.4
185	Q	40.9	Very low	37.8	Very low	150 Å²	150	141 Å²	141	70%	0.701	80%	0.799	S	S	*	*			trans	-81.9	173.8	170.2	-57.3	156	-103	0	0	108.9
186	E	37	Very low	37.4	Very low	145 Å²	145	137.8 Å²	137.8	68%	0.678	80%	0.8	S	S	*	*			cis	-160.9	133.4	11.9	-153.7	147.7	-114.1	0	0	109.8
187	N	43.5	Very low	37.2	Very low	170 Å²	170	136.1 Å²	136.1	91%	0.909	80%	0.801	S	S	*	*			trans	-165.5	76.9	163.3	-121	-16.4	0	0	0	113.3
188	R	41.5	Very low	37.5	Very low	227 Å²	227	136.5 Å²	136.5	86%	0.857	80%	0.801	S	S	*	*			trans	-96	99.1	169.2	-64.4	-169.9	-158.9	125.5	4.7	110.3
189	Y	40.6	Very low	37.3	Very low	203 Å²	203	140.9 Å²	140.9	80%	0.796	80%	0.798	S	S	*	*			trans	-80.4	123.4	163.9	-173.5	-95.9	0	0	0	109.7
190	V	50.3	Low	37.8	Very low	129 Å²	129	145.6 Å²	145.6	78%	0.782	80%	0.795	S	S	*	*			trans	-127.9	122.1	178.8	-79.9	0	0	0	0	110.2
191	G	32.3	Very low	38	Very low	46 Å²	46	151.2 Å²	151.2	47%	0.474	80%	0.798	S	S	.	*			trans	145	101.5	170.3	0	0	0	0	0	114.6
192	F	33.7	Very low	38.8	Very low	210 Å²	210	146.5 Å²	146.5	92%	0.921	79%	0.789	S	S	*	*				-143.8	159.3	95.3	-110.4	-90.1	0	0	0	108.6
193	G	32.4	Very low	39.6	Very low	74 Å²	74	149 Å²	149	76%	0.763	79%	0.787	S	S	*	*			trans	-67	171.1	-171	0	0	0	0	0	114.9
194	N	36.5	Very low	40.1	Very low	156 Å²	156	151 Å²	151	83%	0.834	78%	0.782	S	S	*	*			cis	-147.8	149	22.8	-174	31	0	0	0	111.5
195	T	40.9	Very low	40.9	Very low	129 Å²	129	153.1 Å²	153.1	79%	0.791	78%	0.784	S	S	*	*			trans	-111.2	121.3	-170.9	53.3	0	0	0	0	114.4
196	V	37.2	Very low	41.3	Very low	134 Å²	134	153 Å²	153	81%	0.812	79%	0.788	S	S	*	*			trans	-139.2	131.1	155.5	-179.9	0	0	0	0	109
197	T	40.6	Very low	41.9	Very low	132 Å²	132	151.7 Å²	151.7	81%	0.81	79%	0.785	S	S	*	*			trans	-124.3	137.9	165	51.8	0	0	0	0	106.7
198	P	45.5	Very low	42.3	Very low	119 Å²	119	149.5 Å²	149.5	77%	0.773	77%	0.773	S	S	*	*				-131.7	-166.1	60.1	43	-28.5	0	0	0	111.8
199	E	31.1	Very low	42.5	Very low	180 Å²	180	141.6 Å²	141.6	84%	0.841	76%	0.756	S	S	*	*			cis	-143.8	173.7	4.7	-155.8	-176.5	-152.9	0	0	110
200	K	43.7	Very low	42.8	Very low	181 Å²	181	139 Å²	139	79%	0.787	75%	0.753	S	S	*	*			trans	-82.8	137.2	177.8	-68.6	-175.8	175.3	-174.1	0	113.3
201	K	35.8	Very low	42.8	Very low	194 Å²	194	136.6 Å²	136.6	84%	0.843	74%	0.742	S	S	*	*			trans	-161	146.7	143.8	-108.1	154.2	-171.8	163.6	0	110.4	E203	K201-E203 PolarHBondContact O-N 3.01Å
202	D	48.5	Very low	43.6	Very low	149 Å²	149	138.6 Å²	138.6	80%	0.797	75%	0.749	S	S	*	*			trans	-99.6	76	-159.8	-50.7	-90.2	0	0	0	113.2
203	E	51	Low	44.1	Very low	180 Å²	180	134.8 Å²	134.8	84%	0.841	74%	0.737	S	S	*	*			trans	-146	67.1	176	-76	-65.3	-178.4	0	0	112.7	K201	K201-E203 PolarHBondContact O-N 3.01Å
204	D	46.4	Very low	45	Very low	110 Å²	110	141.6 Å²	141.6	59%	0.588	74%	0.741	S	S	*	*			trans	-153.4	13.2	175.2	-124.2	-24.3	0	0	0	117.1	L206 N207	D204-L206 PolarHBondContact O-N 3.38Å; D204-L206 VanDerWaalsContact O-N 3.07Å; D204-N207 PolarHBondContact O-N 3.34Å; D204-N207 WeakPolarHBondContact OD1-CB 3.39Å; D204-N207 PolarHBondContact OD1-ND2 3.29Å
205	F	50	Low	45.5	Very low	198 Å²	198	139.7 Å²	139.7	87%	0.868	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-17.5	-175.8	-169.7	-101.5	0	0	0	114.3
206	L	49.7	Very low	45.3	Very low	148 Å²	148	137.3 Å²	137.3	78%	0.775	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-19	-176.9	-64.4	178.6	0	0	0	114.7	D204	D204-L206 PolarHBondContact O-N 3.38Å; D204-L206 VanDerWaalsContact O-N 3.07Å
207	N	49.3	Very low	45.6	Very low	117 Å²	117	143.7 Å²	143.7	63%	0.626	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-36.2	-178.4	-71.4	-47.3	0	0	0	112.8	D204 A209 M210	D204-N207 PolarHBondContact O-N 3.34Å; D204-N207 WeakPolarHBondContact OD1-CB 3.39Å; D204-N207 PolarHBondContact OD1-ND2 3.29Å; N207-A209 PolarHBondContact O-N 3.32Å; N207-A209 VanDerWaalsContact O-N 3.15Å; N207-M210 PolarHBondContact O-N 3Å
208	N	52.2	Low	45.6	Very low	123 Å²	123	142.8 Å²	142.8	66%	0.658	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-1.1	-178.2	-153.1	4.5	0	0	0	114.1	M210 S211	N208-M210 VanDerWaalsContact C-N 3.33Å; N208-S211 PolarHBondContact O-OG 2.99Å; N208-S211 PolarHBondContact OD1-OG 3.45Å
209	A	43.8	Very low	45.3	Very low	61 Å²	61	141.9 Å²	141.9	50%	0.504	75%	0.746	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	-17.4	171.1	0	0	0	0	0	113.2	N207 S212	N207-A209 PolarHBondContact O-N 3.32Å; N207-A209 VanDerWaalsContact O-N 3.15Å; A209-S212 PolarHBondContact O-OG 3.22Å
210	M	47.8	Very low	45.7	Very low	148 Å²	148	143.8 Å²	143.8	73%	0.729	75%	0.752	S	S	*	*	S	Bend	trans	-83.6	-18.9	178.8	-154.1	70.3	69.3	0	0	112.6	N207 N208 I213	N207-M210 PolarHBondContact O-N 3Å; N208-M210 VanDerWaalsContact C-N 3.33Å; M210-I213 WeakPolarHBondContact O-CG1 3.49Å; M210-I213 HydrophobicContact SD-CD1 4.19Å
211	S	49.8	Very low	45.6	Very low	79 Å²	79	140.8 Å²	140.8	55%	0.552	75%	0.749	S	S	*	*	S	Bend	trans	-78.4	-26.5	-176.8	-20	0	0	0	0	113.6	N208	N208-S211 PolarHBondContact O-OG 2.99Å; N208-S211 PolarHBondContact OD1-OG 3.45Å
212	S	49.2	Very low	45.9	Very low	89 Å²	89	138.4 Å²	138.4	62%	0.622	75%	0.75	S	S	*	*	S	Bend	trans	-93.5	-5	-166.2	48.5	0	0	0	0	114.9	A209 Y214	A209-S212 PolarHBondContact O-OG 3.22Å; S212-Y214 PolarHBondContact O-N 2.7Å
213	I	44.3	Very low	45	Very low	129 Å²	129	134.8 Å²	134.8	66%	0.662	75%	0.749	S	S	*	*	S	Bend	trans	-90.6	15.9	-178.3	48.6	172	0	0	0	114.5	M210	M210-I213 WeakPolarHBondContact O-CG1 3.49Å; M210-I213 HydrophobicContact SD-CD1 4.19Å
214	Y	51.3	Low	44.2	Very low	217 Å²	217	130.9 Å²	130.9	85%	0.851	75%	0.747	S	S	*	*	S	Bend	trans	-118.4	46.1	177.2	-148.9	-93.3	0	0	0	113.7	S212	S212-Y214 PolarHBondContact O-N 2.7Å
215	S	47.5	Very low	44.1	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	76%	0.759	S	S	*	*	S	Bend	trans	-159.3	121.3	165.2	-81	0	0	0	0	112
216	G	37.6	Very low	43.5	Very low	78 Å²	78	131.8 Å²	131.8	80%	0.804	76%	0.757	S	S	*	*			trans	95.9	138.1	172.8	0	0	0	0	0	115.2
217	W	43	Very low	42.7	Very low	269 Å²	269	135.5 Å²	135.5	100%	1.019	77%	0.767	S	S	*	*			trans	-107.8	118.2	176.4	-74.9	68.9	0	0	0	110.2
218	S	40.2	Very low	41.9	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	78%	0.775	S	S	*	*			trans	-158.4	153.9	162.6	57.4	0	0	0	0	112.9
219	S	39.1	Very low	41.4	Very low	100 Å²	100	134 Å²	134	70%	0.699	78%	0.782	S	S	*	*			trans	59.4	86.4	161.2	-57.8	0	0	0	0	118.9
220	F	38.8	Very low	41	Very low	221 Å²	221	138.7 Å²	138.7	97%	0.969	80%	0.797	S	S	*	*			trans	-99.3	65.9	153.5	-142.7	-80	0	0	0	110.7
221	T	42.7	Very low	40.5	Very low	117 Å²	117	136 Å²	136	72%	0.718	80%	0.798	S	S	*	*			trans	-115.1	103.5	-175.2	-46.8	0	0	0	0	111.3
222	V	42.1	Very low	39.8	Very low	144 Å²	144	140.5 Å²	140.5	87%	0.873	81%	0.807	S	S	*	*			trans	30.8	112.2	152.9	-170.9	0	0	0	0	118.5
223	G	29.5	Very low	39.2	Very low	74 Å²	74	142 Å²	142	76%	0.763	81%	0.808	S	S	*	*			trans	135.9	150.9	154.8	0	0	0	0	0	114.5
224	A	34	Very low	38.9	Very low	98 Å²	98	143.6 Å²	143.6	81%	0.81	82%	0.818	S	S	*	*			cis	-154.4	161.1	-13	0	0	0	0	0	110.8	K226	A224-K226 PolarHBondContact O-N 3.26Å
225	T	44.8	Very low	37.9	Very low	135 Å²	135	139.3 Å²	139.3	83%	0.828	82%	0.815	S	S	*	*			trans	-57.3	126.5	170.4	40.6	0	0	0	0	112.6
226	K	36.5	Very low	37.6	Very low	192 Å²	192	140.3 Å²	140.3	84%	0.835	82%	0.816	S	S	*	*			trans	-170.8	102.2	150.4	-107.9	162.5	-172.3	178.1	0	112.4	A224	A224-K226 PolarHBondContact O-N 3.26Å
227	F	33	Very low	37.9	Very low	225 Å²	225	145.9 Å²	145.9	99%	0.987	82%	0.818	S	S	*	*			trans	-135.9	127.9	136.8	-82.6	-68.8	0	0	0	107.3
228	A	33.6	Very low	37.7	Very low	95 Å²	95	141.4 Å²	141.4	79%	0.785	81%	0.813	S	S	*	*			trans	-97.8	144.2	-165.6	0	0	0	0	0	112
229	S	40.5	Very low	37.4	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	81%	0.811	S	S	*	*			trans	-73.5	125.4	169.3	53	0	0	0	0	111.6
230	I	35	Very low	37.4	Very low	159 Å²	159	143 Å²	143	82%	0.815	82%	0.817	S	S	*	*			trans	-149.9	98.5	155.5	-96.1	149.2	0	0	0	104.1
231	A	37.6	Very low	37.6	Very low	91 Å²	91	142 Å²	142	75%	0.752	82%	0.816	S	S	*	*				82.3	155.1	106.8	0	0	0	0	0	113
232	K	35.4	Very low	37.1	Very low	174 Å²	174	141.2 Å²	141.2	76%	0.757	82%	0.821	S	S	*	*			cis	-151.6	149.1	14.5	-169	165.4	176.9	179.6	0	112.6
233	D	37.6	Very low	36.7	Very low	119 Å²	119	140.5 Å²	140.5	64%	0.636	82%	0.817	S	S	*	*			trans	20.7	113.6	159.1	-46.2	-19.5	0	0	0	119.9
234	N	36.4	Very low	37.2	Very low	163 Å²	163	144.6 Å²	144.6	87%	0.872	82%	0.821	S	S	*	*				-170.9	165.7	119.9	-104.4	-59.8	0	0	0	113.6
235	T	31.8	Very low	37.2	Very low	127 Å²	127	150.3 Å²	150.3	78%	0.779	83%	0.827	S	S	*	*			trans	73.8	71.8	168.9	-39.9	0	0	0	0	117.5	K237	T235-K237 PolarHBondContact O-N 2.99Å
236	T	40.3	Very low	36.5	Very low	138 Å²	138	148.5 Å²	148.5	85%	0.847	83%	0.826	S	S	*	*			trans	-70.1	106.1	154.9	38.4	0	0	0	0	110.9
237	K	44.8	Very low	36.3	Very low	195 Å²	195	145.8 Å²	145.8	85%	0.848	83%	0.826	S	S	*	*			trans	177.3	61.4	159.1	-102.6	162.7	-173.6	-179.3	0	114.4	T235	T235-K237 PolarHBondContact O-N 2.99Å
238	L	38.4	Very low	36.4	Very low	176 Å²	176	144.3 Å²	144.3	92%	0.921	82%	0.822	S	S	*	*			trans	-153.7	45.3	160.4	-147.7	72.1	0	0	0	114.7
239	A	32.7	Very low	36.6	Very low	88 Å²	88	148.8 Å²	148.8	73%	0.727	83%	0.832	S	S	*	*			trans	-87.8	152.1	159.4	0	0	0	0	0	109.5
240	N	40.2	Very low	36.2	Very low	156 Å²	156	146.5 Å²	146.5	83%	0.834	83%	0.827	S	S	*	*	S	Bend	trans	76.8	61.3	175.7	-50	-23.2	0	0	0	118
241	Q	42	Very low	36.2	Very low	202 Å²	202	148.5 Å²	148.5	94%	0.944	83%	0.832	S	S	*	*			trans	-174.4	88	134.4	-107.4	177.9	-17.8	0	0	111.3
242	A	33.6	Very low	36.1	Very low	100 Å²	100	150.8 Å²	150.8	83%	0.826	84%	0.837	S	S	*	*			trans	-147.7	39	179.5	0	0	0	0	0	112.9
243	T	33.4	Very low	36.2	Very low	128 Å²	128	150 Å²	150	79%	0.785	84%	0.84	S	S	*	*			trans	-135.7	141.7	177.5	-40.1	0	0	0	0	109.5
244	L	38.8	Very low	36.3	Very low	161 Å²	161	150.9 Å²	150.9	84%	0.843	85%	0.845	S	S	*	*			trans	69.1	102.5	179.7	-46.3	-179.8	0	0	0	116
245	K	35.7	Very low	36.2	Very low	217 Å²	217	150.5 Å²	150.5	94%	0.943	84%	0.838	S	S	*	*			trans	173.8	75.8	138.2	-86.9	-104.7	-179.7	-178.4	0	109.4
246	A	28.7	Very low	36.7	Very low	98 Å²	98	152.3 Å²	152.3	81%	0.81	84%	0.843	S	S	*	*			trans	-145	45.9	-176.3	0	0	0	0	0	114.3
247	T	32.1	Very low	36.7	Very low	135 Å²	135	151.4 Å²	151.4	83%	0.828	84%	0.837	S	S	*	*			trans	-167.9	102	163.7	41.8	0	0	0	0	109.4
248	E	36.1	Very low	36.5	Very low	193 Å²	193	149.1 Å²	149.1	90%	0.902	83%	0.832	S	S	*	*			trans	175.6	80.4	151.8	-104.8	178.3	163.5	0	0	111.2
249	L	37.1	Very low	36.4	Very low	189 Å²	189	150.6 Å²	150.6	99%	0.99	83%	0.831	S	S	*	*			trans	-144.8	71.6	155.8	-88.1	-175.3	0	0	0	108.3
250	G	32.1	Very low	36.7	Very low	68 Å²	68	151.4 Å²	151.4	70%	0.701	83%	0.829	S	S	*	*			trans	-151.4	142.1	174.6	0	0	0	0	0	110.3
251	Q	36.1	Very low	36.2	Very low	200 Å²	200	151.3 Å²	151.3	94%	0.935	83%	0.834	S	S	*	*			trans	73.6	58.2	176.8	-51.7	-172.1	7.4	0	0	117
252	T	35.1	Very low	35.9	Very low	140 Å²	140	150.6 Å²	150.6	86%	0.859	83%	0.83	S	S	*	*			trans	-146.7	138.1	131.6	19.9	0	0	0	0	105.2
253	I	37.7	Very low	36.3	Very low	158 Å²	158	154.3 Å²	154.3	81%	0.81	83%	0.831	S	S	*	*			cis	-126.5	138.4	26.4	-68.1	163	0	0	0	110.4
254	N	39	Very low	36.6	Very low	137 Å²	137	157.9 Å²	157.9	73%	0.733	84%	0.835	S	S	*	*			trans	-101.2	165.2	153.3	179.3	44	0	0	0	108.2
255	E	35.3	Very low	36.6	Very low	155 Å²	155	156.6 Å²	156.6	72%	0.724	83%	0.834	S	S	*	*			trans	74.5	87.9	176.6	-47.8	-165.9	177.2	0	0	115.1
256	N	41.2	Very low	36.7	Very low	165 Å²	165	155.9 Å²	155.9	88%	0.882	83%	0.831	S	S	*	*				-150.9	164.9	116	-116.6	-46.7	0	0	0	111.6
257	V	39.8	Very low	37.1	Very low	119 Å²	119	158.9 Å²	158.9	72%	0.721	83%	0.833	S	S	*	*	S	Bend	trans	77.8	85.6	173.7	-163.5	0	0	0	0	117.5
258	I	41.9	Very low	37.1	Very low	146 Å²	146	155.5 Å²	155.5	75%	0.749	83%	0.825	S	S	*	*			trans	68.9	106	136.2	-53.8	172.8	0	0	0	119.2
259	K	34.8	Very low	37.1	Very low	207 Å²	207	155.8 Å²	155.8	90%	0.9	82%	0.823	S	S	*	*				-98.8	144.3	118.3	-65.8	179.6	179.7	176.8	0	106.2
260	P	39.8	Very low	37	Very low	105 Å²	105	155.1 Å²	155.1	68%	0.682	82%	0.82	S	S	*	*				-151	123.6	78.7	36.4	-16.2	0	0	0	116.3
261	T	29.1	Very low	37.6	Very low	155 Å²	155	159 Å²	159	95%	0.951	82%	0.823	S	S	*	*			trans	-152.4	86.2	155.3	15.8	0	0	0	0	109.5
262	H	35.5	Very low	37.4	Very low	186 Å²	186	156.5 Å²	156.5	86%	0.861	82%	0.816	S	S	*	*			trans	-135.5	86.1	165.9	171.9	-75.9	0	0	0	107.8
263	E	41.8	Very low	37.5	Very low	179 Å²	179	158.1 Å²	158.1	84%	0.836	81%	0.814	S	S	*	*			trans	-168.2	140.4	159.9	-116.3	166.5	-155.9	0	0	108.3
264	K	41	Very low	37.3	Very low	202 Å²	202	158.4 Å²	158.4	88%	0.878	81%	0.814	S	S	*	*			trans	63.5	123.3	-153.2	-45.1	171.3	-172.6	178.3	0	110.5
265	V	38.6	Very low	36.8	Very low	135 Å²	135	158.6 Å²	158.6	82%	0.818	82%	0.82	S	S	*	*			cis	-117.9	116.5	16	179.8	0	0	0	0	111.4
266	K	38	Very low	36.9	Very low	202 Å²	202	157.7 Å²	157.7	88%	0.878	83%	0.825	S	S	*	*			trans	-124.9	96.6	147.9	-96.7	-167.5	177.8	-178.6	0	106.7
267	D	37.1	Very low	36.5	Very low	161 Å²	161	153 Å²	153	86%	0.861	82%	0.816	S	S	*	*			trans	-150.1	140.4	149	-95.1	-43.5	0	0	0	107.4
268	G	31.7	Very low	36.1	Very low	64 Å²	64	155.6 Å²	155.6	66%	0.66	82%	0.824	S	S	*	*			trans	-125.5	162.9	-179.6	0	0	0	0	0	110.4
269	K	36.7	Very low	35.6	Very low	198 Å²	198	155.9 Å²	155.9	86%	0.861	83%	0.833	S	S	*	*			trans	76	90.9	-169.1	-50.4	175.8	178.5	-178.8	0	114.2
270	L	35.4	Very low	35.4	Very low	176 Å²	176	149.2 Å²	149.2	92%	0.921	82%	0.822	S	S	*	*				-126.5	161.7	104.5	-144	76.6	0	0	0	108.8
271	I	44.3	Very low	35.1	Very low	149 Å²	149	153.1 Å²	153.1	76%	0.764	84%	0.836	S	S	*	*			trans	-129.7	154.3	177.1	-49.2	175	0	0	0	106.4
272	D	31.9	Very low	35.1	Very low	148 Å²	148	150 Å²	150	79%	0.791	83%	0.826	S	S	*	*			trans	103.9	147.7	151.9	-135.2	-9.3	0	0	0	118
273	E	35.7	Very low	34.9	Very low	174 Å²	174	149 Å²	149	81%	0.813	83%	0.827	S	S	*	*			trans	53.2	137.5	-177	-56.8	-165	102.4	0	0	117.3
274	M	33.7	Very low	34.3	Very low	164 Å²	164	150.3 Å²	150.3	81%	0.808	83%	0.83	S	S	*	*			cis	-144.6	144.2	18.2	-161.7	-177.6	-161.5	0	0	111.4
275	T	30.3	Very low	34	Very low	140 Å²	140	147.6 Å²	147.6	86%	0.859	83%	0.83	S	S	*	*			trans	-105.2	118.5	179.8	-66.3	0	0	0	0	112.3
276	V	37.3	Very low	33.5	Very low	136 Å²	136	150.6 Å²	150.6	82%	0.824	84%	0.836	S	S	*	*			trans	-145.7	138.4	158.8	-175.7	0	0	0	0	108.6
277	G	31	Very low	33.1	Very low	68 Å²	68	144.5 Å²	144.5	70%	0.701	83%	0.83	S	S	*	*	S	Bend	trans	122.6	0.6	148.3	0	0	0	0	0	120.6
278	I	32	Very low	32.8	Very low	173 Å²	173	142.3 Å²	142.3	89%	0.887	83%	0.834	S	S	*	*			trans	-143.4	114.9	164.7	13.3	174.9	0	0	0	112.3
279	T	31	Very low	32.5	Very low	152 Å²	152	142.6 Å²	142.6	93%	0.933	84%	0.837	S	S	*	*			trans	-149.7	113.5	170.7	-60.6	0	0	0	0	108.9
280	G	31.5	Very low	32.4	Very low	66 Å²	66	137.8 Å²	137.8	68%	0.68	83%	0.834	S	S	*	*			trans	179.8	140	177.7	0	0	0	0	0	111.2
281	L	33.6	Very low	32.3	Very low	187 Å²	187	138.8 Å²	138.8	98%	0.979	83%	0.831	S	S	*	*			trans	65.9	67.2	173	-52.4	178.5	0	0	0	116.8
282	A	29.6	Very low	31.6	Very low	89 Å²	89	139.2 Å²	139.2	74%	0.736	83%	0.834	S	S	*	*			trans	-140.6	141.4	153.8	0	0	0	0	0	111.7
283	N	31.2	Very low	31.5	Very low	165 Å²	165	138.5 Å²	138.5	88%	0.882	84%	0.836	S	S	*	*			trans	85	100.1	173.9	-56.6	-37.5	0	0	0	119.2
284	K	29.7	Very low	31.3	Very low	208 Å²	208	136.6 Å²	136.6	90%	0.904	83%	0.831	S	S	*	*				-160.4	106.8	105.4	-162.1	167.7	-173.1	175.1	0	112
285	V	34.6	Very low	31.2	Very low	145 Å²	145	137.3 Å²	137.3	88%	0.879	84%	0.837	S	S	*	*			trans	-131.9	118.7	167	163.5	0	0	0	0	108.6
286	Q	27.4	Very low	31.2	Very low	198 Å²	198	140.4 Å²	140.4	93%	0.925	84%	0.839	S	S	*	*			trans	-166.9	134.4	159	-125.8	178.7	-0.5	0	0	110.8
287	G	29.9	Very low	30.9	Very low	73 Å²	73	140.3 Å²	140.3	75%	0.753	84%	0.839	S	S	*	*			trans	102	116.6	165.8	0	0	0	0	0	116.2
288	A	30.1	Very low	30.9	Very low	116 Å²	116	140.9 Å²	140.9	96%	0.959	85%	0.845	S	S	*	*			trans	63.5	151.2	167.8	0	0	0	0	0	117.9
289	G	26.6	Very low	30.8	Very low	70 Å²	70	140.7 Å²	140.7	72%	0.722	84%	0.838	S	S	*	*			cis	165.2	62.5	-5.9	0	0	0	0	0	115.4
290	A	33.1	Very low	31.1	Very low	97 Å²	97	138.8 Å²	138.8	80%	0.802	83%	0.828	S	S	*	*			trans	65	167.9	176.1	0	0	0	0	0	116.8
291	K	34	Very low	31.1	Very low	196 Å²	196	144.7 Å²	144.7	85%	0.852	84%	0.838	S	S	*	*			trans	67.1	112.6	-178.5	-52.3	176.2	-176.8	177.4	0	115.9
292	L	28.6	Very low	30.9	Very low	159 Å²	159	142.2 Å²	142.2	83%	0.832	83%	0.825	S	S	*	*				-173.1	63.2	122.8	-102.2	167.2	0	0	0	112.3	N294	L292-N294 PolarHBondContact O-N 3.32Å
293	T	30.1	Very low	30.8	Very low	133 Å²	133	141.7 Å²	141.7	82%	0.816	83%	0.829	S	S	*	*			trans	-77.1	96.9	152.4	47.1	0	0	0	0	108
294	N	32	Very low	30.7	Very low	134 Å²	134	140 Å²	140	72%	0.717	83%	0.83	S	S	*	*			trans	167.1	101.1	151.5	-89.4	-3.7	0	0	0	109.8	L292	L292-N294 PolarHBondContact O-N 3.32Å
295	L	32.8	Very low	30.5	Very low	179 Å²	179	134 Å²	134	94%	0.937	83%	0.827	S	S	*	*			trans	-145	43	161	-151.6	71.6	0	0	0	111.4
296	F	29.7	Very low	30.2	Very low	205 Å²	205	130.5 Å²	130.5	90%	0.899	82%	0.82	S	S	*	*			trans	-132.1	70.1	176.6	-140.3	-78.2	0	0	0	110
297	T	31.4	Very low	30.2	Very low	133 Å²	133	130.9 Å²	130.9	82%	0.816	82%	0.822	S	S	*	*			trans	-173.3	125.2	162.6	7.3	0	0	0	0	108.4
298	G	29.3	Very low	30	Very low	81 Å²	81	131.3 Å²	131.3	84%	0.835	81%	0.813	S	S	*	*			trans	-75	143.1	171.7	0	0	0	0	0	110.7
299	K	30.9	Very low	29.9	Very low	169 Å²	169	136.3 Å²	136.3	74%	0.735	81%	0.809	S	S	*	*			trans	-109.6	128.2	175.1	-158.8	-164.5	-177.5	-136.1	0	109.8	D302	K299-D302 IonicContact NZ-OD2 3.9Å; K299-D302 PolarHBondContact NZ-OD2 3.31Å
300	P	36.3	Very low	29.9	Very low	111 Å²	111	141 Å²	141	72%	0.721	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.8	173	169.7	32.4	-35.1	0	0	0	111.7
301	Q	32.3	Very low	29.7	Very low	191 Å²	191	144.3 Å²	144.3	89%	0.893	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-93.4	132	-176.3	-171.7	173.2	14.8	0	0	110.8
302	D	28.4	Very low	29.5	Very low	135 Å²	135	143.2 Å²	143.2	72%	0.722	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-77.5	135.2	-177.9	-67.2	-63.7	0	0	0	111.8	K299	K299-D302 IonicContact NZ-OD2 3.9Å; K299-D302 PolarHBondContact NZ-OD2 3.31Å
303	G	28.4	Very low	29.3	Very low	78 Å²	78	143.3 Å²	143.3	80%	0.804	82%	0.818	S	S	*	*			trans	-141.8	145.5	175.4	0	0	0	0	0	110.4
304	S	28.7	Very low	29.4	Very low	129 Å²	129	140.7 Å²	140.7	90%	0.902	81%	0.809	S	S	*	*			trans	-93.9	133.6	-156.5	58	0	0	0	0	116.8
305	G	26.6	Very low	29.4	Very low	82 Å²	82	141.4 Å²	141.4	85%	0.845	82%	0.819	S	S	*	*			trans	110	152.7	140	0	0	0	0	0	117.6
306	G	26.7	Very low	29.3	Very low	71 Å²	71	142.1 Å²	142.1	73%	0.732	82%	0.817	S	S	*	*			trans	113.2	80.6	154.5	0	0	0	0	0	118.3
307	E	28.3	Very low	29.3	Very low	206 Å²	206	136.1 Å²	136.1	96%	0.963	81%	0.813	S	S	*	*			trans	61.4	-172.5	141	-53.9	-166.3	141.4	0	0	119.4
308	S	25.9	Very low	29.1	Very low	82 Å²	82	140.5 Å²	140.5	57%	0.573	82%	0.816	S	S	*	*			trans	-124.9	160.2	-155.9	57.7	0	0	0	0	113.4
309	Y	27.6	Very low	29.1	Very low	222 Å²	222	145.5 Å²	145.5	87%	0.871	82%	0.818	S	S	*	*				-175.2	169.9	111.9	-97.2	-63.4	0	0	0	111.7
310	Q	27.8	Very low	28.8	Very low	169 Å²	169	141 Å²	141	79%	0.79	82%	0.819	S	S	*	*			trans	-93.4	152.2	-179	-57.6	156.3	-53.3	0	0	110.9
311	N	28.9	Very low	28.4	Very low	165 Å²	165	142 Å²	142	88%	0.882	83%	0.829	S	S	*	*				-165.2	175.3	123.9	-114.2	-74.9	0	0	0	112.9
312	M	28.5	Very low	28.4	Very low	174 Å²	174	138.1 Å²	138.1	86%	0.857	82%	0.823	S	S	*	*			trans	-122	174.4	-170.2	-64.5	-179.7	66	0	0	113.1
313	D	25.8	Very low	28.5	Very low	161 Å²	161	137.6 Å²	137.6	86%	0.861	83%	0.83	S	S	*	*			trans	90.7	160.5	148.7	-145.9	11.3	0	0	0	118.5
314	A	31.3	Very low	28.8	Very low	78 Å²	78	142.6 Å²	142.6	65%	0.645	83%	0.832	S	S	*	*			trans	-134.9	157.9	-159.8	0	0	0	0	0	113.3
315	T	31.3	Very low	29.3	Very low	148 Å²	148	142.3 Å²	142.3	91%	0.908	83%	0.827	S	S	*	*			trans	-158.2	166.6	154.4	-12.2	0	0	0	0	111.5
316	E	32.2	Very low	29.6	Very low	194 Å²	194	146.8 Å²	146.8	91%	0.907	83%	0.828	S	S	*	*			trans	-81.2	156	-172.9	-56.4	172.5	114.5	0	0	113.4
317	G	28.7	Very low	30.2	Very low	79 Å²	79	148.4 Å²	148.4	81%	0.814	83%	0.829	S	S	*	*			trans	-169.1	121.8	170.5	0	0	0	0	0	111.5
318	Y	27.4	Very low	30.6	Very low	226 Å²	226	149 Å²	149	89%	0.886	82%	0.822	S	S	*	*			trans	-96.6	144.9	-171	-122	-101.3	0	0	0	113.4
319	Q	28.8	Very low	31.3	Very low	186 Å²	186	151.8 Å²	151.8	87%	0.869	83%	0.83	S	S	*	*			trans	74.3	107.7	148	-151.4	162.6	7.8	0	0	119.6
320	G	26.1	Very low	32	Very low	73 Å²	73	148.9 Å²	148.9	75%	0.753	82%	0.823	S	S	*	*			trans	-169.6	119.5	166.7	0	0	0	0	0	115.8
321	S	26.8	Very low	32.4	Very low	134 Å²	134	150.7 Å²	150.7	94%	0.937	82%	0.822	S	S	*	*			trans	70.2	172.5	163.5	-148.5	0	0	0	0	119.5
322	S	32.6	Very low	32.9	Very low	108 Å²	108	150.8 Å²	150.8	76%	0.755	82%	0.817	S	S	*	*			trans	-116.8	148.1	-153.1	58.7	0	0	0	0	116
323	S	29.8	Very low	33.4	Very low	124 Å²	124	148.2 Å²	148.2	87%	0.867	81%	0.812	S	S	*	*			trans	-157.2	159.3	151.4	56.8	0	0	0	0	113.1
324	Q	36.1	Very low	33.9	Very low	183 Å²	183	149.4 Å²	149.4	86%	0.855	81%	0.809	S	S	*	*			trans	-80.3	175	176	-89.9	-164.6	7.5	0	0	112.2
325	P	38.1	Very low	34.3	Very low	124 Å²	124	149.1 Å²	149.1	81%	0.805	81%	0.814	S	S	*	*			cis	-140.5	-167	27.6	43.5	-22.9	0	0	0	116.9
326	M	32.2	Very low	34.4	Very low	176 Å²	176	148 Å²	148	87%	0.867	81%	0.812	S	S	*	*			trans	-121.9	159.3	-178	-152.5	-149.9	-62	0	0	112.7
327	S	40.5	Very low	34.4	Very low	105 Å²	105	146.5 Å²	146.5	73%	0.734	81%	0.811	S	S	*	*			trans	78.2	110	166.7	73.6	0	0	0	0	118.8
328	R	37.4	Very low	34.5	Very low	219 Å²	219	147.7 Å²	147.7	83%	0.826	81%	0.807	S	S	*	*			trans	-140	-7.2	151.6	-108.4	-171.6	69.4	138	1.1	115.2
329	D	40.3	Very low	34.6	Very low	140 Å²	140	141.7 Å²	141.7	75%	0.749	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	11.5	-158.2	-40.7	-74.7	0	0	0	115.2
330	F	41.8	Very low	34.8	Very low	161 Å²	161	140.1 Å²	140.1	71%	0.706	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-23.2	-179.4	-177.7	-105	0	0	0	113.9
331	W	36.8	Very low	35.1	Very low	206 Å²	206	144.2 Å²	144.2	78%	0.78	79%	0.791	S	S	*	*	S	Bend	trans	-99.4	-7.6	-162.7	-88.4	108.1	0	0	0	116.7
332	E	38.9	Very low	35.1	Very low	168 Å²	168	143 Å²	143	79%	0.785	77%	0.771	S	S	*	*	S	Bend	trans	-85.1	-14.8	-174.7	-60.4	-160.2	157.5	0	0	114.3	F334	E332-F334 PolarHBondContact O-N 3.41Å
333	T	38.6	Very low	34.9	Very low	120 Å²	120	146 Å²	146	74%	0.736	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	36	-169.7	-37.3	0	0	0	0	114.8
334	F	35.4	Very low	34.6	Very low	185 Å²	185	149.3 Å²	149.3	81%	0.811	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.7	11.3	174.8	-83.3	-74.9	0	0	0	114.7	E332	E332-F334 PolarHBondContact O-N 3.41Å
335	G	40.2	Very low	34.4	Very low	72 Å²	72	146 Å²	146	74%	0.742	77%	0.766	S	S	*	*	S	Bend	trans	-111.2	3.9	-162.9	0	0	0	0	0	119.5
336	S	33.2	Very low	34.5	Very low	124 Å²	124	145.5 Å²	145.5	87%	0.867	76%	0.763	S	S	*	*			trans	-136.2	134.3	-168.6	-62.1	0	0	0	0	113.8
337	N	32.1	Very low	34.4	Very low	164 Å²	164	142.3 Å²	142.3	88%	0.877	76%	0.758	S	S	*	*			trans	-147.5	118.3	-179.3	-179.1	15.8	0	0	0	113.4
338	S	31.3	Very low	34.1	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	75%	0.752	S	S	*	*			trans	-177.4	156.2	165.2	56.7	0	0	0	0	111.4
339	S	29.9	Very low	33.8	Very low	99 Å²	99	138 Å²	138	69%	0.692	75%	0.75	S	S	*	*			cis	-176.9	165.1	-23.1	-80.9	0	0	0	0	108.1
340	L	33.5	Very low	33.1	Very low	154 Å²	154	135.6 Å²	135.6	81%	0.806	74%	0.744	S	S	*	*			trans	70.5	152.2	169.5	-53.2	-176.8	0	0	0	114.9
341	K	30.6	Very low	32.4	Very low	159 Å²	159	138.9 Å²	138.9	69%	0.691	75%	0.752	S	S	*	*			cis	-169.5	164.3	3.9	-113.3	165.9	174.4	-88.6	0	107.4
342	E	27.7	Very low	32.1	Very low	109 Å²	109	133.9 Å²	133.9	51%	0.509	74%	0.744	S	S	.	*			cis	-170.2	131.4	-18.8	-133.5	-174.1	138	0	0	111.9
343	K	27.5	Very low	31.7	Very low	169 Å²	169	134.4 Å²	134.4	74%	0.735	75%	0.749	S	S	*	*			trans	65.1	163.9	156.6	-67.7	159.9	-179.5	167.4	0	117.5
344	K	25.4	Very low	31.3	Very low	195 Å²	195	132.9 Å²	132.9	85%	0.848	75%	0.748	S	S	*	*			cis	-157.3	160.4	0.5	-133.2	176.7	-179.1	-171.7	0	111.2
345	S	30.9	Very low	30.9	Very low	112 Å²	112	130.9 Å²	130.9	78%	0.783	75%	0.746	S	S	*	*			trans	-88.5	175.8	176	-37.5	0	0	0	0	114
346	P	41	Very low	30.5	Very low	114 Å²	114	134.1 Å²	134.1	74%	0.74	75%	0.746	S	S	*	*				-156.8	171.3	86	41.5	-22.1	0	0	0	119.2
347	S	30.1	Very low	30.5	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	74%	0.737	S	S	*	*			trans	57.2	152.1	145.3	53.8	0	0	0	0	122.5
348	S	33.2	Very low	30.4	Very low	88 Å²	88	129.2 Å²	129.2	62%	0.615	73%	0.73	S	S	*	*			cis	-172	173.3	-20.6	52.9	0	0	0	0	110
349	D	30.9	Very low	30.5	Very low	146 Å²	146	134.5 Å²	134.5	78%	0.781	74%	0.74	S	S	*	*			trans	69.1	154.1	157.3	-57.6	-51.7	0	0	0	119.8
350	S	26.1	Very low	30.5	Very low	89 Å²	89	139.9 Å²	139.9	62%	0.622	75%	0.751	S	S	*	*			cis	-168.9	179.8	-25.3	-174.2	0	0	0	0	110.3
351	W	27.6	Very low	30.2	Very low	230 Å²	230	137.4 Å²	137.4	87%	0.871	75%	0.746	S	S	*	*			trans	84.3	153.4	165.3	-63.3	100.6	0	0	0	121.1
352	T	30.7	Very low	30.5	Very low	101 Å²	101	134 Å²	134	62%	0.62	74%	0.743	S	S	*	*			trans	-122.2	-174.1	-155	51	0	0	0	0	112.9
353	M	28.8	Very low	30.8	Very low	180 Å²	180	135.7 Å²	135.7	89%	0.887	76%	0.755	S	S	*	*			trans	81.7	147.1	162.2	-65.8	166.1	-178	0	0	116.9
354	A	30.6	Very low	30.7	Very low	87 Å²	87	132.5 Å²	132.5	72%	0.719	75%	0.754	S	S	*	*			cis	-161.7	157.2	-13.3	0	0	0	0	0	113.4
355	D	26.7	Very low	31	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	76%	0.761	S	S	*	*			trans	45.1	144.3	142.7	-87.7	-4.4	0	0	0	126.4
356	N	32	Very low	31.3	Very low	140 Å²	140	137.6 Å²	137.6	75%	0.749	76%	0.763	S	S	*	*			trans	71.5	148.4	145.3	-75.4	-44.7	0	0	0	120.3
357	S	34	Very low	30.7	Very low	98 Å²	98	138.2 Å²	138.2	69%	0.685	76%	0.76	S	S	*	*			cis	-161.5	159.2	-13.4	53.9	0	0	0	0	114.1
358	A	30.5	Very low	30.8	Very low	87 Å²	87	144.9 Å²	144.9	72%	0.719	77%	0.768	S	S	*	*			trans	47.3	124.1	147	0	0	0	0	0	123.5
359	K	31.9	Very low	30.6	Very low	216 Å²	216	143.7 Å²	143.7	94%	0.939	77%	0.77	S	S	*	*				-169.5	178.2	109.2	-101.9	168.6	-174.1	178.2	0	113.1
360	K	30.9	Very low	30.7	Very low	212 Å²	212	142.5 Å²	142.5	92%	0.922	77%	0.773	S	S	*	*			trans	-147.1	137.4	-153.4	179.4	-172.8	179.9	-174.9	0	114.2
361	S	27.1	Very low	30.8	Very low	101 Å²	101	148.1 Å²	148.1	71%	0.706	79%	0.789	S	S	*	*			trans	-165.8	129.2	161.3	-154.6	0	0	0	0	104.8
362	S	36.4	Very low	30.9	Very low	88 Å²	88	140.6 Å²	140.6	62%	0.615	78%	0.783	S	S	*	*				52.8	129.4	60.5	103.6	0	0	0	0	112.2
363	D	34.3	Very low	31.1	Very low	144 Å²	144	141 Å²	141	77%	0.77	80%	0.797	S	S	*	*			cis	-127	152.3	25.1	-55.4	-42.1	0	0	0	111.5
364	S	26.4	Very low	31.2	Very low	103 Å²	103	138 Å²	138	72%	0.72	79%	0.793	S	S	*	*			cis	80.6	74.3	41.6	-176.4	0	0	0	0	115.7
365	W	31.7	Very low	31.4	Very low	260 Å²	260	141.4 Å²	141.4	99%	0.985	80%	0.8	S	S	*	*			trans	-140.3	121.1	144	-90.8	87.2	0	0	0	108.4
366	D	35.8	Very low	31.6	Very low	154 Å²	154	142.7 Å²	142.7	82%	0.824	81%	0.807	S	S	*	*			trans	-131.5	169	-174	-140.1	-35.6	0	0	0	109.8
367	N	29.5	Very low	31.7	Very low	127 Å²	127	145.3 Å²	145.3	68%	0.679	81%	0.812	S	S	*	*			trans	67.2	103.8	163.3	-161.2	26.1	0	0	0	118
368	W	31	Very low	31.6	Very low	248 Å²	248	148.6 Å²	148.6	94%	0.939	82%	0.816	S	S	*	*				-155.1	141.9	99.8	-105.5	35	0	0	0	109.3
369	G	30.6	Very low	32	Very low	63 Å²	63	147.5 Å²	147.5	65%	0.649	80%	0.803	S	S	*	*			trans	-141.6	160.4	-178.9	0	0	0	0	0	112.1
370	S	31.6	Very low	32.7	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	79%	0.786	S	S	*	*			trans	60.6	100.7	169.2	-57.2	0	0	0	0	117.4
371	E	29.7	Very low	33.2	Very low	207 Å²	207	139.2 Å²	139.2	97%	0.967	78%	0.777	S	S	*	*				-169.6	167	106.1	-103.5	178.3	-170.6	0	0	111
372	G	28.7	Very low	33.8	Very low	72 Å²	72	140.5 Å²	140.5	74%	0.742	77%	0.772	S	S	*	*			trans	108.5	67.8	173.3	0	0	0	0	0	116.3
373	A	35.6	Very low	34	Very low	111 Å²	111	140.2 Å²	140.2	92%	0.917	77%	0.77	S	S	*	*			trans	-81.3	112.8	165.6	0	0	0	0	0	110.7
374	S	30.3	Very low	34.4	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	75%	0.745	S	S	*	*			trans	-146.8	146.4	166	60.1	0	0	0	0	110.9
375	N	33.7	Very low	35.5	Very low	160 Å²	160	137.2 Å²	137.2	86%	0.856	74%	0.737	S	S	*	*			trans	-81.8	129.8	-172.1	-68.5	-55	0	0	0	111.6
376	N	31.6	Very low	36.1	Very low	170 Å²	170	128 Å²	128	91%	0.909	72%	0.716	S	S	*	*			trans	-115.6	88.1	156.3	-110.3	-13.8	0	0	0	108.8
377	K	33.6	Very low	36.6	Very low	195 Å²	195	124 Å²	124	85%	0.848	69%	0.69	S	S	*	*			trans	-78.5	120.7	161.6	-83.3	-171.5	172.7	-173.6	0	107.5	S379	K377-S379 PolarHBondContact O-N 3.21Å
378	H	33.2	Very low	37.6	Very low	166 Å²	166	123.4 Å²	123.4	77%	0.769	69%	0.687	S	S	*	*			trans	-80.3	106	179.1	-162.1	-77.4	0	0	0	109.3	T380	H378-T380 VanDerWaalsContact CE1-CG2 3.49Å; H378-T380 WeakPolarHBondContact CE1-CG2 3.44Å
379	S	37.6	Very low	38	Very low	65 Å²	65	116.1 Å²	116.1	46%	0.455	67%	0.666	S	S	.	*			trans	-83	124.4	172.3	-172	0	0	0	0	110.2	K377 E382	K377-S379 PolarHBondContact O-N 3.21Å; S379-E382 WeakPolarHBondContact CB-OE2 3.14Å; S379-E382 VanDerWaalsContact OG-CD 3.27Å; S379-E382 PolarHBondContact OG-OE2 2.9Å
380	T	47.1	Very low	38.4	Very low	95 Å²	95	119.1 Å²	119.1	58%	0.583	67%	0.667	S	S	*	*			trans	-136.6	10.5	174	29.2	0	0	0	0	112.1	H378	H378-T380 VanDerWaalsContact CE1-CG2 3.49Å; H378-T380 WeakPolarHBondContact CE1-CG2 3.44Å
381	E	42.1	Very low	38.9	Very low	158 Å²	158	120.3 Å²	120.3	74%	0.738	65%	0.653	S	S	*	*	S	Bend	trans	-100.9	-48.4	-175.6	-155.3	153.1	-150.7	0	0	109.4	S383 W384	E381-S383 PolarHBondContact O-N 2.66Å; E381-W384 PolarHBondContact O-N 3.05Å
382	E	39.6	Very low	39.5	Very low	128 Å²	128	118 Å²	118	60%	0.598	64%	0.643	S	S	*	*	H	α-helix	trans	-53.2	-29	173.9	-63.9	168.6	141.1	0	0	113.6	S379 W384 E385 A386	S379-E382 WeakPolarHBondContact CB-OE2 3.14Å; S379-E382 VanDerWaalsContact OG-CD 3.27Å; S379-E382 PolarHBondContact OG-OE2 2.9Å; E382-W384 PolarHBondContact O-N 2.76Å; E382-E385 PolarHBondContact O-N 3.07Å; E382-A386 WeakPolarHBondContact O-CB 3.43Å; E382-A386 PolarHBondContact O-N 3.38Å
383	S	40	Very low	39.9	Very low	82 Å²	82	120.7 Å²	120.7	57%	0.573	64%	0.64	S	S	*	*	H	α-helix	trans	-67.7	-14	179.7	-175.3	0	0	0	0	114.2	E381	E381-S383 PolarHBondContact O-N 2.66Å
384	W	43.4	Very low	39.9	Very low	66 Å²	66	118.6 Å²	118.6	25%	0.25	62%	0.623	C	S	.	*	H	α-helix	trans	-97.9	-39.9	172.4	-70.2	92.9	0	0	0	111.4	A77 K82 L118 E381 E382 A386 W387	A77-W384 WeakPolarHBondContact O-CZ2 3.4Å; K82-W384 HydrophobicContact CB-CH2 4.47Å; K82-W384 HydrophobicContact CB-CZ3 4.48Å; K82-W384 HydrophobicContact CD-CH2 3.92Å; K82-W384 HydrophobicContact CD-CZ2 3.82Å; K82-W384 HydrophobicContact CD-CZ3 4.31Å; K82-W384 HydrophobicContact CG-CE3 4.41Å; K82-W384 HydrophobicContact CG-CH2 4.21Å; K82-W384 HydrophobicContact CG-CZ3 4.14Å; L118-W384 HydrophobicContact CD1-CH2 4.4Å; L118-W384 HydrophobicContact CD1-CZ2 4.32Å; E381-W384 PolarHBondContact O-N 3.05Å; E382-W384 PolarHBondContact O-N 2.76Å; W384-A386 PolarHBondContact O-N 2.95Å; W384-W387 HydrophobicContact CE3-CE3 4.08Å; W384-W387 HydrophobicContact CE3-CZ3 4.47Å; W384-W387 HydrophobicContact CZ3-CE3 4.13Å; W384-W387 HydrophobicContact CZ3-CZ3 4.19Å; W384-W387 WeakPolarHBondContact O-CB 3.36Å; W384-W387 PolarHBondContact O-N 3.07Å
385	E	48.5	Very low	40.3	Very low	118 Å²	118	120.6 Å²	120.6	55%	0.551	62%	0.624	S	S	*	*	H	α-helix	trans	-59.7	-35.6	174.1	-59.7	-175.4	146.8	0	0	112.2	E382 W387 D388 N389	E382-E385 PolarHBondContact O-N 3.07Å; E385-W387 PolarHBondContact O-N 3.25Å; E385-D388 PolarHBondContact O-N 3.39Å; E385-N389 PolarHBondContact O-N 3.15Å; E385-N389 PolarHBondContact O-ND2 3.4Å
386	A	43.9	Very low	40.7	Very low	66 Å²	66	115.1 Å²	115.1	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-63.1	-20.3	174.9	0	0	0	0	0	114	E382 W384 N390	E382-A386 WeakPolarHBondContact O-CB 3.43Å; E382-A386 PolarHBondContact O-N 3.38Å; W384-A386 PolarHBondContact O-N 2.95Å; A386-N390 WeakPolarHBondContact O-CB 3.25Å
387	W	47.3	Very low	40.7	Very low	72 Å²	72	116.6 Å²	116.6	27%	0.273	60%	0.604	S	S	.	*	H	α-helix	trans	-83.5	-44.5	177.4	-178.9	35.1	0	0	0	112	F86 L89 K114 W384 E385 N390 W391	F86-W387 HydrophobicContact CB-CH2 4.4Å; F86-W387 AromaticContact CD2-CH2 3.58Å; F86-W387 HydrophobicContact CD2-CH2 3.58Å; F86-W387 AromaticContact CD2-CZ2 3.96Å; F86-W387 HydrophobicContact CD2-CZ2 3.96Å; F86-W387 HydrophobicContact CE2-CH2 4.34Å; F86-W387 HydrophobicContact CE2-CZ2 4.28Å; F86-W387 HydrophobicContact CG-CH2 4.43Å; L89-W387 HydrophobicContact CD2-CH2 4.05Å; L89-W387 HydrophobicContact CD2-CZ2 3.79Å; K114-W387 VanDerWaalsContact NZ-CZ3 3.32Å; W384-W387 HydrophobicContact CE3-CE3 4.08Å; W384-W387 HydrophobicContact CE3-CZ3 4.47Å; W384-W387 HydrophobicContact CZ3-CE3 4.13Å; W384-W387 HydrophobicContact CZ3-CZ3 4.19Å; W384-W387 WeakPolarHBondContact O-CB 3.36Å; W384-W387 PolarHBondContact O-N 3.07Å; E385-W387 PolarHBondContact O-N 3.25Å; W387-N390 PolarHBondContact O-N 3.4Å; W387-W391 PolarHBondContact O-N 2.74Å
388	D	51	Low	40.7	Very low	113 Å²	113	113.7 Å²	113.7	60%	0.604	60%	0.603	S	S	*	*	H	α-helix	trans	-55	-54.2	174.8	-101.8	-4	0	0	0	111.1	E385 N390 W391 E392	E385-D388 PolarHBondContact O-N 3.39Å; D388-N390 PolarHBondContact O-N 2.73Å; D388-N390 VanDerWaalsContact O-N 3.11Å; D388-W391 PolarHBondContact O-N 2.89Å; D388-E392 PolarHBondContact O-N 2.68Å
389	N	39.3	Very low	40.6	Very low	96 Å²	96	115.3 Å²	115.3	51%	0.513	61%	0.608	S	S	.	*	H	α-helix	trans	-58.5	-28.8	-178.8	-78.7	-89	0	0	0	113.1	E385 N393	E385-N389 PolarHBondContact O-N 3.15Å; E385-N389 PolarHBondContact O-ND2 3.4Å; N389-N393 PolarHBondContact O-ND2 3.29Å
390	N	39.4	Very low	40.2	Very low	125 Å²	125	122.3 Å²	122.3	67%	0.668	63%	0.63	S	S	*	*	H	α-helix	trans	-82.4	-14.1	-179.2	-165.4	59.4	0	0	0	113.1	A386 W387 D388	A386-N390 WeakPolarHBondContact O-CB 3.25Å; W387-N390 PolarHBondContact O-N 3.4Å; D388-N390 PolarHBondContact O-N 2.73Å; D388-N390 VanDerWaalsContact O-N 3.11Å
391	W	41.9	Very low	39.4	Very low	146 Å²	146	123.2 Å²	123.2	55%	0.553	64%	0.64	S	S	*	*	H	α-helix	trans	-93.4	-42.3	174.6	-165.2	-100.2	0	0	0	112.4	W387 D388 N393 A394	W387-W391 PolarHBondContact O-N 2.74Å; D388-W391 PolarHBondContact O-N 2.89Å; W391-N393 PolarHBondContact O-N 3.01Å; W391-N393 VanDerWaalsContact O-N 3.08Å; W391-A394 VanDerWaalsContact O-CB 3.25Å; W391-A394 WeakPolarHBondContact O-CB 3.06Å; W391-A394 PolarHBondContact O-N 3.27Å
392	E	42.4	Very low	39.5	Very low	160 Å²	160	121.7 Å²	121.7	75%	0.748	64%	0.644	S	S	*	*	H	α-helix	trans	-57.8	-27.2	176.9	-70	-161.9	129.8	0	0	113.5	D388 A394	D388-E392 PolarHBondContact O-N 2.68Å; E392-A394 VanDerWaalsContact C-N 3.32Å; E392-A394 PolarHBondContact O-N 3.42Å
393	N	36.7	Very low	39.1	Very low	127 Å²	127	121.3 Å²	121.3	68%	0.679	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-7.8	177.3	-80	-82.8	0	0	0	114.4	N389 W391	N389-N393 PolarHBondContact O-ND2 3.29Å; W391-N393 PolarHBondContact O-N 3.01Å; W391-N393 VanDerWaalsContact O-N 3.08Å
394	A	35.5	Very low	38.8	Very low	68 Å²	68	127 Å²	127	56%	0.562	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-77.6	-39.3	-175.9	0	0	0	0	0	113.7	W391 E392 G396	W391-A394 VanDerWaalsContact O-CB 3.25Å; W391-A394 WeakPolarHBondContact O-CB 3.06Å; W391-A394 PolarHBondContact O-N 3.27Å; E392-A394 VanDerWaalsContact C-N 3.32Å; E392-A394 PolarHBondContact O-N 3.42Å; A394-G396 PolarHBondContact O-N 3.32Å
395	D	39.2	Very low	38.5	Very low	156 Å²	156	129.5 Å²	129.5	83%	0.834	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-73.8	9.6	178.9	-82.9	-53.5	0	0	0	113.9
396	G	41.3	Very low	37.9	Very low	46 Å²	46	127.7 Å²	127.7	47%	0.474	70%	0.7	S	S	.	*	G	3₁₀ helix	trans	-94.4	3	-162.6	0	0	0	0	0	118.7	A394	A394-G396 PolarHBondContact O-N 3.32Å
397	K	32.7	Very low	37.6	Very low	201 Å²	201	133.4 Å²	133.4	87%	0.874	72%	0.716	S	S	*	*			trans	-160.6	123.9	171.2	-91.1	113.4	-161	166	0	115.2
398	T	31.8	Very low	37.1	Very low	134 Å²	134	139.5 Å²	139.5	82%	0.822	75%	0.747	S	S	*	*			trans	-130.8	141.1	144	45	0	0	0	0	112
399	K	32.6	Very low	36.6	Very low	200 Å²	200	138.6 Å²	138.6	87%	0.87	76%	0.755	S	S	*	*			trans	60.7	95.2	166.5	-60	172.8	-176.6	171.6	0	118.6
400	K	29	Very low	36.6	Very low	212 Å²	212	145.4 Å²	145.4	92%	0.922	77%	0.774	S	S	*	*				-160.6	134.3	106.7	-118.1	177.5	179.8	179	0	113.3
401	S	30	Very low	36.7	Very low	114 Å²	114	145.3 Å²	145.3	80%	0.797	77%	0.773	S	S	*	*			trans	-86.4	162.9	173.7	-42.9	0	0	0	0	111.1
402	P	44.8	Very low	36.7	Very low	125 Å²	125	145.4 Å²	145.4	81%	0.812	79%	0.785	S	S	*	*			trans	-100.1	161.3	-159.9	38.2	-36.4	0	0	0	115.1
403	S	29.6	Very low	36.6	Very low	121 Å²	121	142.4 Å²	142.4	85%	0.846	79%	0.788	S	S	*	*			trans	-161.4	147	137.5	50.4	0	0	0	0	110.3
404	K	35.3	Very low	36.8	Very low	200 Å²	200	139.9 Å²	139.9	87%	0.87	79%	0.791	S	S	*	*			trans	-151.9	111.4	173.1	-168.3	-169.4	-174.5	-167.6	0	108.3
405	P	36.4	Very low	36.9	Very low	120 Å²	120	152.9 Å²	152.9	78%	0.779	83%	0.826	S	S	*	*			trans	-81.4	160.1	159.7	33.7	-30.8	0	0	0	109.8
406	A	35.8	Very low	36.8	Very low	80 Å²	80	152.7 Å²	152.7	66%	0.661	83%	0.825	S	S	*	*			trans	-115.6	160.5	168.2	0	0	0	0	0	109.4
407	E	36.8	Very low	36.5	Very low	185 Å²	185	158.3 Å²	158.3	86%	0.864	84%	0.844	S	S	*	*			trans	48.6	100.8	155.7	-69.5	163.6	-143.7	0	0	118.3
408	E	37.2	Very low	36.8	Very low	200 Å²	200	155.9 Å²	155.9	94%	0.935	84%	0.842	S	S	*	*				-158.4	141.6	114.9	-109.8	172.3	-172.2	0	0	109.4
409	A	41.9	Very low	37	Very low	94 Å²	94	157.2 Å²	157.2	78%	0.777	84%	0.843	S	S	*	*			trans	-151.5	69.8	-170.3	0	0	0	0	0	112.3
410	W	38.2	Very low	37.3	Very low	239 Å²	239	154.6 Å²	154.6	91%	0.905	84%	0.842	S	S	*	*			trans	-135.4	151.5	172.8	-83	78.5	0	0	0	112
411	D	41.3	Very low	37.9	Very low	123 Å²	123	150.7 Å²	150.7	66%	0.658	84%	0.836	S	S	*	*			trans	66.1	91.7	163.8	-76.5	-56.3	0	0	0	122.9
412	N	42.6	Very low	38.4	Very low	149 Å²	149	153.4 Å²	153.4	80%	0.797	84%	0.839	S	S	*	*				87.7	155	105.7	-118	-46.1	0	0	0	123.1
413	A	40.4	Very low	38	Very low	97 Å²	97	155.5 Å²	155.5	80%	0.802	84%	0.841	S	S	*	*			trans	59	108.5	169.3	0	0	0	0	0	118.5
414	G	40.1	Very low	38.7	Very low	73 Å²	73	158.4 Å²	158.4	75%	0.753	84%	0.841	S	S	*	*			trans	-160.3	7.3	-176.4	0	0	0	0	0	120.6
415	W	38	Very low	39	Very low	341 Å²	341	154.6 Å²	154.6	100%	1.292	84%	0.838	S	S	*	*			trans	74.8	0	-174.9	-64.4	25.3	0	0	0	115.8

Retrieved 415 of 415 residues in 946.4 ms (Link to these results)

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