A0A3P9Q996_POERE Loading...

Rab GDP dissociation inhibitor

Regulates the GDP/GTP exchange reaction of most RAB proteins by inhibiting the dissociation of GDP from them, and the subsequent binding of GTP. Regulates the GDP/GTP exchange reaction of most Rab proteins by inhibiting the dissociation of GDP from them, and the subsequent binding of GTP to them. Promotes the dissociation of GDP-bound Rab proteins from the membrane and inhibits their activation. Promotes the dissociation of RAB1A, RAB3A, RAB5A and RAB10 from membranes.

AlphaFold DB , UniProt , Accession A0A3P9Q996, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 447 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	87.5	Confident	120 Å²	120	48.1 Å²	48.1	59%	0.591	24%	0.24	S	C	*	.				0	107.7	0	-72	176	-147.3	0	0	109.1	E3 E273	M1-E3 HydrophobicContact CB-CG 4.43Å; M1-E3 PolarHBondContact O-N 3.18Å; M1-E273 PolarHBondContact N-OE1 2.82Å; M1-E273 PolarHBondContact N-OE2 3.46Å
2	D	52.9	Low	88.3	Confident	169 Å²	169	44.2 Å²	44.2	90%	0.904	22%	0.22	S	C	*	.			trans	-77.6	49.2	169.6	-68.3	-33.1	0	0	0	110.7
3	E	82.6	Confident	88.9	Confident	82 Å²	82	41 Å²	41	38%	0.383	21%	0.206	S	C	.	.			trans	-89.2	132.8	176.7	-74.8	-156.4	-166.1	0	0	110.7	M1 Y5 K29 R276	M1-E3 HydrophobicContact CB-CG 4.43Å; M1-E3 PolarHBondContact O-N 3.18Å; E3-Y5 HydrophobicContact CB-CD2 4.5Å; E3-Y5 HydrophobicContact CB-CE2 3.68Å; E3-Y5 PolarHBondContact OE2-OH 3.46Å; E3-K29 IonicContact OE2-NZ 3.8Å; E3-K29 PolarHBondContact OE2-NZ 2.95Å; E3-R276 PolarHBondContact O-N 3.36Å
4	E	93.2	Very high	89.3	Confident	114 Å²	114	38.6 Å²	38.6	53%	0.533	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.6	172.5	-169	178.5	168.2	0	0	109.7	K29 R276	E4-K29 WeakPolarHBondContact O-CD 3.44Å; E4-K29 PolarHBondContact O-NZ 3.3Å; E4-R276 HydrophobicContact CB-CB 4.48Å; E4-R276 HydrophobicContact CG-CB 4.27Å
5	Y	97	Very high	89.8	Confident	8 Å²	8	36.1 Å²	36.1	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.2	176.6	-63.3	-91.8	0	0	0	109.5	E3 K29 L31 A275 R276 C277	E3-Y5 HydrophobicContact CB-CD2 4.5Å; E3-Y5 HydrophobicContact CB-CE2 3.68Å; E3-Y5 PolarHBondContact OE2-OH 3.46Å; Y5-K29 HydrophobicContact CD1-CD 4.01Å; Y5-K29 HydrophobicContact CD1-CG 3.87Å; Y5-K29 HydrophobicContact CE1-CD 4.34Å; Y5-K29 HydrophobicContact CE1-CG 4.36Å; Y5-L31 HydrophobicContact CD1-CB 3.5Å; Y5-L31 HydrophobicContact CD2-CB 3.95Å; Y5-L31 HydrophobicContact CD2-CD2 4.06Å; Y5-L31 HydrophobicContact CE1-CB 3.56Å; Y5-L31 HydrophobicContact CE1-CG 4.48Å; Y5-L31 HydrophobicContact CE2-CB 4Å; Y5-L31 HydrophobicContact CE2-CD2 3.73Å; Y5-L31 HydrophobicContact CE2-CG 4.39Å; Y5-L31 HydrophobicContact CG-CB 3.7Å; Y5-A275 HydrophobicContact CD2-CB 4.35Å; Y5-A275 HydrophobicContact CE2-CB 4.21Å; Y5-R276 PolarHBondContact N-O 3.04Å; Y5-C277 VanDerWaalsContact O-CA 3.3Å; Y5-C277 WeakPolarHBondContact O-CA 3.35Å
6	D	97.5	Very high	90.3	Very high	35 Å²	35	33.9 Å²	33.9	19%	0.187	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-43.6	170.9	-69.6	-54.7	0	0	0	110.1	K28 K29 K278 Q279	D6-K28 HydrophobicContact CB-CB 4.06Å; D6-K28 HydrophobicContact CB-CD 4.04Å; D6-K29 PolarHBondContact N-O 3.03Å; D6-K29 PolarHBondContact OD2-N 3.48Å; D6-K278 WeakPolarHBondContact O-CB 3.34Å; D6-K278 PolarHBondContact O-N 2.84Å; D6-K278 IonicContact OD1-NZ 2.77Å; D6-K278 PolarHBondContact OD1-NZ 2.97Å; D6-Q279 PolarHBondContact O-N 3.26Å
7	V	98.3	Very high	90.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.8	-177.5	-173.4	0	0	0	0	109.5	V9 M23 K29 V30 L31 Q279 I281 M424	V7-V9 HydrophobicContact CG1-CG2 4.04Å; V7-M23 HydrophobicContact CG2-CG 4.46Å; V7-K29 PolarHBondContact N-O 2.67Å; V7-V30 HydrophobicContact CB-CG2 4.43Å; V7-V30 WeakPolarHBondContact O-CA 3.28Å; V7-L31 PolarHBondContact O-N 2.75Å; V7-L31 VanDerWaalsContact O-N 3.07Å; V7-Q279 WeakPolarHBondContact CA-O 3.31Å; V7-I281 HydrophobicContact CG1-CD1 4.01Å; V7-I281 HydrophobicContact CG1-CG1 3.95Å; V7-M424 HydrophobicContact CG1-CE 4.13Å; V7-M424 HydrophobicContact CG2-CE 4.31Å
8	I	98.6	Very high	90.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140	161.8	-70.2	170.3	0	0	0	108.4	L10 L31 V268 A275 C277 Q279 L280 I281	I8-L10 HydrophobicContact CG2-CD2 3.78Å; I8-L10 HydrophobicContact CG2-CG 4.3Å; I8-L31 CarbonylContact C-O 3.51Å; I8-L31 VanDerWaalsContact CA-O 3.27Å; I8-L31 WeakPolarHBondContact CA-O 3.24Å; I8-L31 HydrophobicContact CD1-CD2 4.26Å; I8-L31 HydrophobicContact CG1-CB 4.08Å; I8-L31 HydrophobicContact CG1-CD2 4.16Å; I8-L31 HydrophobicContact CG1-CG 4.45Å; I8-V268 HydrophobicContact CB-CG2 4.39Å; I8-V268 HydrophobicContact CD1-CB 4.16Å; I8-V268 HydrophobicContact CD1-CG2 4.04Å; I8-V268 HydrophobicContact CG2-CB 4.42Å; I8-V268 HydrophobicContact CG2-CG2 3.79Å; I8-A275 HydrophobicContact CD1-CB 3.91Å; I8-A275 WeakPolarHBondContact CD1-O 3.42Å; I8-C277 HydrophobicContact CB-CB 4.14Å; I8-C277 HydrophobicContact CD1-CB 3.63Å; I8-C277 HydrophobicContact CG1-CB 3.63Å; I8-Q279 PolarHBondContact N-O 2.85Å; I8-L280 HydrophobicContact CB-CD1 3.91Å; I8-L280 HydrophobicContact CG2-CD1 3.71Å; I8-L280 CarbonylContact O-C 3.53Å; I8-L280 WeakPolarHBondContact O-CA 3.31Å; I8-L280 WeakPolarHBondContact O-CD1 3.25Å; I8-I281 PolarHBondContact O-N 3.41Å
9	V	98.7	Very high	91.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.7	177.3	-174.2	0	0	0	0	108.8	V7 E16 V30 L31 H32 M33 I281	V7-V9 HydrophobicContact CG1-CG2 4.04Å; V9-E16 HydrophobicContact CG1-CB 3.7Å; V9-E16 HydrophobicContact CG1-CG 4.14Å; V9-V30 HydrophobicContact CG2-CG1 3.86Å; V9-L31 PolarHBondContact N-O 2.88Å; V9-H32 HydrophobicContact CB-CB 4.32Å; V9-H32 VanDerWaalsContact CG1-CE1 3.46Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.46Å; V9-H32 CarbonylContact O-C 3.58Å; V9-H32 WeakPolarHBondContact O-CA 3.3Å; V9-M33 PolarHBondContact O-N 2.88Å; V9-I281 CarbonylContact C-O 3.53Å; V9-I281 VanDerWaalsContact CA-O 3.32Å; V9-I281 WeakPolarHBondContact CA-O 3.5Å; V9-I281 HydrophobicContact CG1-CB 4.22Å; V9-I281 HydrophobicContact CG1-CG2 4.45Å; V9-I281 HydrophobicContact CG2-CB 4.2Å; V9-I281 HydrophobicContact CG2-CD1 4.16Å; V9-I281 HydrophobicContact CG2-CG1 4.42Å
10	L	98.6	Very high	91.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.8	180	-54	179.7	0	0	0	111.2	I8 M33 V255 I258 V268 L280 I281 C282 D283 Y286	I8-L10 HydrophobicContact CG2-CD2 3.78Å; I8-L10 HydrophobicContact CG2-CG 4.3Å; L10-M33 CarbonylContact C-O 3.53Å; L10-M33 WeakPolarHBondContact CA-O 3.38Å; L10-M33 HydrophobicContact CD2-CB 4Å; L10-M33 HydrophobicContact CD2-SD 4.34Å; L10-V255 HydrophobicContact CD1-CG1 4.29Å; L10-V255 HydrophobicContact CD1-CG2 4.17Å; L10-V255 HydrophobicContact CD2-CG2 3.83Å; L10-I258 HydrophobicContact CD1-CD1 4.29Å; L10-I258 HydrophobicContact CD1-CG1 4.36Å; L10-V268 HydrophobicContact CD1-CG1 4.45Å; L10-V268 HydrophobicContact CD1-CG2 4.26Å; L10-V268 HydrophobicContact CD2-CG1 4.26Å; L10-V268 HydrophobicContact CD2-CG2 4.45Å; L10-L280 HydrophobicContact CD1-CD1 3.86Å; L10-L280 HydrophobicContact CD1-CD2 4.31Å; L10-L280 HydrophobicContact CG-CD1 3.77Å; L10-I281 PolarHBondContact N-O 3.22Å; L10-C282 HydrophobicContact CB-CB 3.83Å; L10-C282 HydrophobicContact CD1-CB 4.45Å; L10-C282 HydrophobicContact CG-CB 4.45Å; L10-C282 VanDerWaalsContact O-CA 3.3Å; L10-C282 WeakPolarHBondContact O-CA 3.09Å; L10-D283 PolarHBondContact O-N 3.05Å; L10-Y286 HydrophobicContact CB-CD1 3.73Å; L10-Y286 HydrophobicContact CB-CD2 3.91Å; L10-Y286 HydrophobicContact CB-CE1 3.82Å; L10-Y286 HydrophobicContact CB-CE2 4.01Å; L10-Y286 HydrophobicContact CB-CG 3.76Å; L10-Y286 HydrophobicContact CD1-CD1 3.76Å; L10-Y286 HydrophobicContact CD1-CE1 4.37Å; L10-Y286 HydrophobicContact CD1-CG 4.12Å; L10-Y286 HydrophobicContact CG-CD1 4.31Å
11	G	97.9	Very high	91.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.			trans	92.1	137	-175.9	0	0	0	0	0	111.6	E16 H32 M33	G11-E16 WeakPolarHBondContact O-CB 3.34Å; G11-E16 WeakPolarHBondContact O-CG 3.29Å; G11-H32 PolarHBondContact O-NE2 3.3Å; G11-M33 PolarHBondContact N-O 3.42Å
12	T	97.1	Very high	93.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	10%	0.102	C	C	.	.			trans	-103.2	30.4	-175.9	57.5	0	0	0	0	112.8	C17 D34 Y39 G40 Y249 L251	T12-C17 PolarHBondContact O-SG 2.85Å; T12-D34 WeakPolarHBondContact CB-OD2 3.42Å; T12-D34 HydrophobicContact CG2-CB 3.82Å; T12-D34 PolarHBondContact N-OD2 3.38Å; T12-D34 PolarHBondContact OG1-OD2 2.97Å; T12-Y39 HydrophobicContact CG2-CD1 3.76Å; T12-Y39 HydrophobicContact CG2-CE1 4.1Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.34Å; T12-G40 WeakPolarHBondContact O-CA 3.34Å; T12-G40 PolarHBondContact O-N 2.81Å; T12-G40 PolarHBondContact OG1-N 3.45Å; T12-Y249 HydrophobicContact CG2-CD1 4.43Å; T12-Y249 HydrophobicContact CG2-CE1 4.19Å; T12-L251 HydrophobicContact CG2-CD2 4.13Å
13	G	96.2	Very high	95.3	Very high	3 Å²	3	12.3 Å²	12.3	3%	0.031	6%	0.06	C	C	.	.			trans	-56.8	160.2	167.4	0	0	0	0	0	111.4	T15 E16 C17	G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.33Å; G13-E16 WeakPolarHBondContact CA-OE2 3.47Å; G13-E16 PolarHBondContact O-N 2.77Å; G13-C17 WeakPolarHBondContact O-CB 3.22Å; G13-C17 PolarHBondContact O-N 2.62Å; G13-C17 PolarHBondContact O-SG 2.87Å
14	L	94.4	Very high	95.7	Very high	7 Å²	7	8.5 Å²	8.5	4%	0.037	4%	0.042	C	C	.	.	H	α-helix	trans	-58	-42.4	-179.9	-177.3	63.2	0	0	0	112.6	C17 I18 L87 L234 Y404 F410	L14-C17 PolarHBondContact O-N 2.77Å; L14-I18 HydrophobicContact CD1-CD1 3.77Å; L14-I18 HydrophobicContact CD1-CG1 4.07Å; L14-I18 HydrophobicContact CD2-CD1 4.27Å; L14-I18 HydrophobicContact CG-CD1 3.64Å; L14-I18 HydrophobicContact CG-CG1 4.36Å; L14-I18 WeakPolarHBondContact O-CD1 3.43Å; L14-I18 VanDerWaalsContact O-CG1 3.29Å; L14-I18 WeakPolarHBondContact O-CG1 3.08Å; L14-I18 PolarHBondContact O-N 2.88Å; L14-L87 HydrophobicContact CD2-CD2 4.48Å; L14-L234 HydrophobicContact CD1-CB 3.54Å; L14-L234 HydrophobicContact CD1-CD1 3.87Å; L14-L234 HydrophobicContact CD1-CD2 4.46Å; L14-L234 HydrophobicContact CD1-CG 4.18Å; L14-L234 HydrophobicContact CD2-CD1 4.15Å; L14-Y404 PolarHBondContact N-OH 2.9Å; L14-F410 HydrophobicContact CD2-CD1 3.78Å; L14-F410 HydrophobicContact CD2-CE1 3.13Å; L14-F410 HydrophobicContact CD2-CE2 4.3Å; L14-F410 HydrophobicContact CD2-CZ 3.41Å; L14-F410 VanDerWaalsContact CD2-CZ 3.41Å
15	T	97.1	Very high	95.5	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.006	2%	0.024	C	C	.	.	H	α-helix	trans	-56.6	-52.1	177.3	-61.7	0	0	0	0	111.3	G13 I18 L19 Y404 I417 I420	G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.33Å; T15-I18 PolarHBondContact O-N 2.89Å; T15-L19 HydrophobicContact CG2-CD1 3.97Å; T15-L19 WeakPolarHBondContact O-CG 3.38Å; T15-L19 PolarHBondContact O-N 3.05Å; T15-Y404 PolarHBondContact N-OH 3.39Å; T15-Y404 VanDerWaalsContact N-OH 3.12Å; T15-I417 HydrophobicContact CG2-CG1 3.87Å; T15-I420 HydrophobicContact CG2-CD1 3.9Å
16	E	97.8	Very high	95.1	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	4%	0.036	C	C	.	.	H	α-helix	trans	-63.4	-42.7	179.9	-71.2	65	-131.3	0	0	111.7	V9 G11 G13 L19 S20 I281 S401	V9-E16 HydrophobicContact CG1-CB 3.7Å; V9-E16 HydrophobicContact CG1-CG 4.14Å; G11-E16 WeakPolarHBondContact O-CB 3.34Å; G11-E16 WeakPolarHBondContact O-CG 3.29Å; G13-E16 WeakPolarHBondContact CA-OE2 3.47Å; G13-E16 PolarHBondContact O-N 2.77Å; E16-L19 PolarHBondContact O-N 2.8Å; E16-S20 WeakPolarHBondContact O-CB 3.32Å; E16-S20 PolarHBondContact O-N 3.4Å; E16-I281 HydrophobicContact CG-CG2 4.42Å; E16-S401 WeakPolarHBondContact OE1-CB 3.24Å; E16-S401 PolarHBondContact OE1-OG 2.83Å
17	C	95.8	Very high	94.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.3	-44	177.5	-80.6	0	0	0	0	112.5	T12 G13 L14 S20 G21 F238	T12-C17 PolarHBondContact O-SG 2.85Å; G13-C17 WeakPolarHBondContact O-CB 3.22Å; G13-C17 PolarHBondContact O-N 2.62Å; G13-C17 PolarHBondContact O-SG 2.87Å; L14-C17 PolarHBondContact O-N 2.77Å; C17-S20 PolarHBondContact O-N 2.91Å; C17-G21 PolarHBondContact O-N 3.03Å; C17-F238 HydrophobicContact CB-CB 3.79Å; C17-F238 HydrophobicContact CB-CD2 4.15Å; C17-F238 HydrophobicContact CB-CG 4.12Å; C17-F238 WeakPolarHBondContact O-CD1 3.48Å; C17-F238 WeakPolarHBondContact O-CG 3.45Å
18	I	94.3	Very high	94.6	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.4	-47.5	177.5	-70	163.3	0	0	0	110.6	L14 T15 S20 G21 I22 L87 M90 F238 I417	L14-I18 HydrophobicContact CD1-CD1 3.77Å; L14-I18 HydrophobicContact CD1-CG1 4.07Å; L14-I18 HydrophobicContact CD2-CD1 4.27Å; L14-I18 HydrophobicContact CG-CD1 3.64Å; L14-I18 HydrophobicContact CG-CG1 4.36Å; L14-I18 WeakPolarHBondContact O-CD1 3.43Å; L14-I18 VanDerWaalsContact O-CG1 3.29Å; L14-I18 WeakPolarHBondContact O-CG1 3.08Å; L14-I18 PolarHBondContact O-N 2.88Å; T15-I18 PolarHBondContact O-N 2.89Å; I18-S20 PolarHBondContact O-N 2.87Å; I18-G21 PolarHBondContact O-N 3.33Å; I18-I22 HydrophobicContact CG2-CD1 3.54Å; I18-I22 HydrophobicContact CG2-CG1 4.38Å; I18-I22 WeakPolarHBondContact O-CD1 3.29Å; I18-I22 VanDerWaalsContact O-CG1 3.3Å; I18-I22 WeakPolarHBondContact O-CG1 3.29Å; I18-I22 PolarHBondContact O-N 2.77Å; I18-L87 HydrophobicContact CD1-CD1 3.42Å; I18-L87 VanDerWaalsContact CD1-CD1 3.42Å; I18-M90 HydrophobicContact CG2-SD 4.2Å; I18-F238 HydrophobicContact CB-CE2 4.31Å; I18-F238 HydrophobicContact CB-CZ 4.1Å; I18-F238 HydrophobicContact CD1-CE2 4.43Å; I18-F238 HydrophobicContact CG1-CD2 4.12Å; I18-F238 HydrophobicContact CG1-CE1 4.36Å; I18-F238 HydrophobicContact CG1-CE2 3.35Å; I18-F238 HydrophobicContact CG1-CZ 3.49Å; I18-F238 VanDerWaalsContact CG1-CZ 3.49Å; I18-F238 HydrophobicContact CG2-CZ 4.41Å; I18-I417 HydrophobicContact CB-CD1 4.19Å; I18-I417 HydrophobicContact CD1-CD1 3.5Å; I18-I417 HydrophobicContact CG1-CD1 4.45Å; I18-I417 HydrophobicContact CG2-CD1 4.11Å; I18-I417 HydrophobicContact CG2-CG2 3.96Å
19	L	95.4	Very high	94.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-43.1	177.9	-74.1	164.2	0	0	0	111.7	T15 E16 G21 I22 M23 I281 I417 I420	T15-L19 HydrophobicContact CG2-CD1 3.97Å; T15-L19 WeakPolarHBondContact O-CG 3.38Å; T15-L19 PolarHBondContact O-N 3.05Å; E16-L19 PolarHBondContact O-N 2.8Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 2.79Å; L19-I22 PolarHBondContact O-N 3.25Å; L19-M23 WeakPolarHBondContact O-CB 3.44Å; L19-M23 VanDerWaalsContact O-CG 3.24Å; L19-M23 WeakPolarHBondContact O-CG 3.47Å; L19-M23 PolarHBondContact O-N 3.4Å; L19-I281 HydrophobicContact CB-CD1 3.81Å; L19-I281 HydrophobicContact CD1-CD1 4.4Å; L19-I281 HydrophobicContact CD1-CG2 4.05Å; L19-I417 HydrophobicContact CD2-CG2 4.08Å; L19-I417 HydrophobicContact CG-CG2 4.26Å; L19-I420 HydrophobicContact CD1-CB 3.9Å; L19-I420 HydrophobicContact CD1-CD1 3.84Å; L19-I420 HydrophobicContact CD1-CG1 4.48Å; L19-I420 HydrophobicContact CD1-CG2 3.5Å; L19-I420 VanDerWaalsContact CD1-CG2 3.5Å; L19-I420 HydrophobicContact CD2-CB 4.42Å; L19-I420 HydrophobicContact CD2-CG2 4.11Å; L19-I420 HydrophobicContact CG-CG2 4.47Å
20	S	95.1	Very high	94.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.5	-47.1	173.8	-176	0	0	0	0	111.2	E16 C17 I18 M23 S24 V30 H32	E16-S20 WeakPolarHBondContact O-CB 3.32Å; E16-S20 PolarHBondContact O-N 3.4Å; C17-S20 PolarHBondContact O-N 2.91Å; I18-S20 PolarHBondContact O-N 2.87Å; S20-M23 PolarHBondContact O-N 2.83Å; S20-S24 PolarHBondContact O-N 2.88Å; S20-S24 PolarHBondContact O-OG 2.86Å; S20-S24 VanDerWaalsContact O-OG 3.04Å; S20-V30 WeakPolarHBondContact OG-CG1 3.35Å; S20-H32 WeakPolarHBondContact CB-ND1 3.38Å; S20-H32 PolarHBondContact OG-ND1 3.12Å
21	G	92.1	Very high	94.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-46.4	177.2	0	0	0	0	0	112.8	C17 I18 L19 M23 S24 V25	C17-G21 PolarHBondContact O-N 3.03Å; I18-G21 PolarHBondContact O-N 3.33Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 2.79Å; G21-M23 VanDerWaalsContact C-N 3.34Å; G21-M23 PolarHBondContact O-N 3.43Å; G21-S24 PolarHBondContact O-N 3.44Å; G21-V25 VanDerWaalsContact O-CG2 3.32Å; G21-V25 WeakPolarHBondContact O-CG2 3.14Å; G21-V25 PolarHBondContact O-N 2.81Å
22	I	91.6	Very high	94.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.1	-43	176.9	-70.5	159.4	0	0	0	111.2	I18 L19 N26 T94 I417 Y421 F429	I18-I22 HydrophobicContact CG2-CD1 3.54Å; I18-I22 HydrophobicContact CG2-CG1 4.38Å; I18-I22 WeakPolarHBondContact O-CD1 3.29Å; I18-I22 VanDerWaalsContact O-CG1 3.3Å; I18-I22 WeakPolarHBondContact O-CG1 3.29Å; I18-I22 PolarHBondContact O-N 2.77Å; L19-I22 PolarHBondContact O-N 3.25Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.3Å; I22-N26 WeakPolarHBondContact O-CB 3.26Å; I22-N26 PolarHBondContact O-N 2.72Å; I22-N26 PolarHBondContact O-ND2 3.02Å; I22-T94 HydrophobicContact CG1-CG2 3.9Å; I22-I417 HydrophobicContact CD1-CG2 4.39Å; I22-Y421 HydrophobicContact CG2-CD2 3.82Å; I22-Y421 HydrophobicContact CG2-CE2 3.54Å; I22-F429 HydrophobicContact CD1-CE2 3.64Å; I22-F429 HydrophobicContact CD1-CZ 4.07Å; I22-F429 HydrophobicContact CG1-CE2 4.17Å; I22-F429 HydrophobicContact CG1-CZ 4.45Å; I22-F429 HydrophobicContact CG2-CE2 4.01Å
23	M	92.7	Very high	94.3	Very high	5 Å²	5	16.2 Å²	16.2	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-42.6	179	-67.7	-58.6	159.8	0	0	111.2	V7 L19 S20 G21 N26 G27 K28 V30 Y421 M424 T425	V7-M23 HydrophobicContact CG2-CG 4.46Å; L19-M23 WeakPolarHBondContact O-CB 3.44Å; L19-M23 VanDerWaalsContact O-CG 3.24Å; L19-M23 WeakPolarHBondContact O-CG 3.47Å; L19-M23 PolarHBondContact O-N 3.4Å; S20-M23 PolarHBondContact O-N 2.83Å; G21-M23 VanDerWaalsContact C-N 3.34Å; G21-M23 PolarHBondContact O-N 3.43Å; M23-N26 CarbonylContact O-C 3.52Å; M23-N26 PolarHBondContact O-N 2.88Å; M23-G27 PolarHBondContact O-N 3.38Å; M23-K28 HydrophobicContact CB-CB 4.17Å; M23-K28 HydrophobicContact CB-CG 4.31Å; M23-K28 VanDerWaalsContact O-CB 3.26Å; M23-K28 WeakPolarHBondContact O-CB 3.32Å; M23-K28 WeakPolarHBondContact O-CG 3.25Å; M23-K28 PolarHBondContact O-N 3.19Å; M23-K28 HydrophobicContact SD-CG 4.45Å; M23-V30 HydrophobicContact CB-CG2 3.87Å; M23-Y421 HydrophobicContact CE-CD2 3.72Å; M23-Y421 HydrophobicContact CE-CE2 3.99Å; M23-M424 HydrophobicContact CE-CB 4.36Å; M23-M424 HydrophobicContact CE-CE 3.85Å; M23-M424 HydrophobicContact CE-SD 3.73Å; M23-M424 HydrophobicContact SD-CE 4.39Å; M23-T425 HydrophobicContact CE-CG2 4.25Å
24	S	91.3	Very high	94.4	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-62.9	-45.5	176.3	-61.2	0	0	0	0	112.4	S20 G21 N26 G27 V30 S242	S20-S24 PolarHBondContact O-N 2.88Å; S20-S24 PolarHBondContact O-OG 2.86Å; S20-S24 VanDerWaalsContact O-OG 3.04Å; G21-S24 PolarHBondContact O-N 3.44Å; S24-N26 PolarHBondContact O-N 3.46Å; S24-G27 PolarHBondContact O-N 3.4Å; S24-V30 WeakPolarHBondContact OG-CG2 3.43Å; S24-S242 PolarHBondContact OG-OG 2.91Å; S24-S242 VanDerWaalsContact OG-OG 3.09Å
25	V	88.1	Confident	94.6	Very high	26 Å²	26	20.6 Å²	20.6	16%	0.158	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-32.7	175.5	170.9	0	0	0	0	111.7	G21 G27 Y93 L241 Y245	G21-V25 VanDerWaalsContact O-CG2 3.32Å; G21-V25 WeakPolarHBondContact O-CG2 3.14Å; G21-V25 PolarHBondContact O-N 2.81Å; V25-G27 PolarHBondContact O-N 3.28Å; V25-Y93 HydrophobicContact CG1-CE1 4.38Å; V25-Y93 HydrophobicContact CG1-CE2 4.44Å; V25-L241 HydrophobicContact CG2-CD2 4.26Å; V25-Y245 HydrophobicContact CG2-CD2 4.32Å; V25-Y245 HydrophobicContact CG2-CE2 3.8Å
26	N	88.5	Confident	94.5	Very high	52 Å²	52	22.6 Å²	22.6	28%	0.278	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	13.8	174	-73.4	-47.3	0	0	0	113.8	I22 M23 S24 Y93	I22-N26 WeakPolarHBondContact CG2-ND2 3.3Å; I22-N26 WeakPolarHBondContact O-CB 3.26Å; I22-N26 PolarHBondContact O-N 2.72Å; I22-N26 PolarHBondContact O-ND2 3.02Å; M23-N26 CarbonylContact O-C 3.52Å; M23-N26 PolarHBondContact O-N 2.88Å; S24-N26 PolarHBondContact O-N 3.46Å; N26-Y93 PolarHBondContact OD1-OH 3.04Å
27	G	90.4	Very high	94.4	Very high	64 Å²	64	26.7 Å²	26.7	66%	0.66	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	17.8	173.2	0	0	0	0	0	114.9	M23 S24 V25	M23-G27 PolarHBondContact O-N 3.38Å; S24-G27 PolarHBondContact O-N 3.4Å; V25-G27 PolarHBondContact O-N 3.28Å
28	K	93.9	Very high	94.3	Very high	90 Å²	90	30.9 Å²	30.9	39%	0.391	16%	0.164	S	C	.	.			trans	-82.2	140.5	174.1	-58.8	-58.6	-173.3	178	0	110.8	D6 M23 V30	D6-K28 HydrophobicContact CB-CB 4.06Å; D6-K28 HydrophobicContact CB-CD 4.04Å; M23-K28 HydrophobicContact CB-CB 4.17Å; M23-K28 HydrophobicContact CB-CG 4.31Å; M23-K28 VanDerWaalsContact O-CB 3.26Å; M23-K28 WeakPolarHBondContact O-CB 3.32Å; M23-K28 WeakPolarHBondContact O-CG 3.25Å; M23-K28 PolarHBondContact O-N 3.19Å; M23-K28 HydrophobicContact SD-CG 4.45Å; K28-V30 HydrophobicContact CB-CG2 4.24Å; K28-V30 PolarHBondContact O-N 3.19Å
29	K	95.7	Very high	94.3	Very high	78 Å²	78	34.3 Å²	34.3	34%	0.339	18%	0.178	S	C	.	.			trans	-77.5	112.8	169.2	-166.1	-171.6	173.9	-164.3	0	109.2	E3 E4 Y5 D6 V7	E3-K29 IonicContact OE2-NZ 3.8Å; E3-K29 PolarHBondContact OE2-NZ 2.95Å; E4-K29 WeakPolarHBondContact O-CD 3.44Å; E4-K29 PolarHBondContact O-NZ 3.3Å; Y5-K29 HydrophobicContact CD1-CD 4.01Å; Y5-K29 HydrophobicContact CD1-CG 3.87Å; Y5-K29 HydrophobicContact CE1-CD 4.34Å; Y5-K29 HydrophobicContact CE1-CG 4.36Å; D6-K29 PolarHBondContact N-O 3.03Å; D6-K29 PolarHBondContact OD2-N 3.48Å; V7-K29 PolarHBondContact N-O 2.67Å
30	V	96.8	Very high	94.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131	-174	-176.6	0	0	0	0	112	V7 V9 S20 M23 S24 K28 G247 T248	V7-V30 HydrophobicContact CB-CG2 4.43Å; V7-V30 WeakPolarHBondContact O-CA 3.28Å; V9-V30 HydrophobicContact CG2-CG1 3.86Å; S20-V30 WeakPolarHBondContact OG-CG1 3.35Å; M23-V30 HydrophobicContact CB-CG2 3.87Å; S24-V30 WeakPolarHBondContact OG-CG2 3.43Å; K28-V30 HydrophobicContact CB-CG2 4.24Å; K28-V30 PolarHBondContact O-N 3.19Å; V30-G247 VanDerWaalsContact O-CA 3.26Å; V30-G247 WeakPolarHBondContact O-CA 3.42Å; V30-T248 PolarHBondContact O-N 3.45Å
31	L	97.5	Very high	94.2	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.2	163.6	170.8	64.4	0	0	0	108.7	Y5 V7 I8 V9 M33 T248 M250 A275	Y5-L31 HydrophobicContact CD1-CB 3.5Å; Y5-L31 HydrophobicContact CD2-CB 3.95Å; Y5-L31 HydrophobicContact CD2-CD2 4.06Å; Y5-L31 HydrophobicContact CE1-CB 3.56Å; Y5-L31 HydrophobicContact CE1-CG 4.48Å; Y5-L31 HydrophobicContact CE2-CB 4Å; Y5-L31 HydrophobicContact CE2-CD2 3.73Å; Y5-L31 HydrophobicContact CE2-CG 4.39Å; Y5-L31 HydrophobicContact CG-CB 3.7Å; V7-L31 PolarHBondContact O-N 2.75Å; V7-L31 VanDerWaalsContact O-N 3.07Å; I8-L31 CarbonylContact C-O 3.51Å; I8-L31 VanDerWaalsContact CA-O 3.27Å; I8-L31 WeakPolarHBondContact CA-O 3.24Å; I8-L31 HydrophobicContact CD1-CD2 4.26Å; I8-L31 HydrophobicContact CG1-CB 4.08Å; I8-L31 HydrophobicContact CG1-CD2 4.16Å; I8-L31 HydrophobicContact CG1-CG 4.45Å; V9-L31 PolarHBondContact N-O 2.88Å; L31-M33 HydrophobicContact CD1-CG 4.03Å; L31-M33 HydrophobicContact CD1-SD 4.46Å; L31-M33 HydrophobicContact CD2-CG 4.31Å; L31-M33 HydrophobicContact CD2-SD 3.71Å; L31-M33 HydrophobicContact CG-CG 3.93Å; L31-M33 HydrophobicContact CG-SD 3.97Å; L31-T248 HydrophobicContact CD1-CG2 4.1Å; L31-M250 HydrophobicContact CD1-CE 3.91Å; L31-M250 HydrophobicContact CD1-CG 4.28Å; L31-M250 HydrophobicContact CD1-SD 4.15Å; L31-A275 HydrophobicContact CD2-CB 3.65Å
32	H	97.9	Very high	94.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.3	-177.9	-160.1	138.3	0	0	0	109.4	V9 G11 S20 T248 Y249 M250	V9-H32 HydrophobicContact CB-CB 4.32Å; V9-H32 VanDerWaalsContact CG1-CE1 3.46Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.46Å; V9-H32 CarbonylContact O-C 3.58Å; V9-H32 WeakPolarHBondContact O-CA 3.3Å; G11-H32 PolarHBondContact O-NE2 3.3Å; S20-H32 WeakPolarHBondContact CB-ND1 3.38Å; S20-H32 PolarHBondContact OG-ND1 3.12Å; H32-T248 PolarHBondContact N-O 3.17Å; H32-Y249 HydrophobicContact CB-CD1 4Å; H32-Y249 HydrophobicContact CB-CD2 3.69Å; H32-Y249 HydrophobicContact CB-CE1 3.96Å; H32-Y249 HydrophobicContact CB-CE2 3.55Å; H32-Y249 HydrophobicContact CB-CG 3.93Å; H32-Y249 AromaticContact CD2-CE1 3.8Å; H32-Y249 AromaticContact CE1-CE1 3.79Å; H32-Y249 AromaticContact CE1-CZ 3.65Å; H32-Y249 PolarHBondContact CE1-OH 3.29Å; H32-Y249 VanDerWaalsContact CE1-OH 3.28Å; H32-Y249 AromaticContact CG-CD1 3.96Å; H32-Y249 AromaticContact CG-CE1 3.5Å; H32-Y249 AromaticContact CG-CE2 3.77Å; H32-Y249 AromaticContact CG-CZ 3.43Å; H32-Y249 VanDerWaalsContact CG-CZ 3.43Å; H32-Y249 AromaticContact ND1-CE1 3.52Å; H32-Y249 AromaticContact ND1-CE2 3.64Å; H32-Y249 AromaticContact ND1-CZ 3.08Å; H32-Y249 PolarHBondContact ND1-OH 2.97Å; H32-Y249 AromaticContact NE2-CE1 3.94Å; H32-Y249 CarbonylContact O-C 3.57Å; H32-Y249 VanDerWaalsContact O-CA 3.27Å; H32-Y249 WeakPolarHBondContact O-CA 3.01Å; H32-M250 PolarHBondContact O-N 3.27Å
33	M	97.7	Very high	94.5	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.8	-174.2	-61.2	164.5	64.8	0	0	111	V9 L10 G11 L31 M250 K253 V255	V9-M33 PolarHBondContact O-N 2.88Å; L10-M33 CarbonylContact C-O 3.53Å; L10-M33 WeakPolarHBondContact CA-O 3.38Å; L10-M33 HydrophobicContact CD2-CB 4Å; L10-M33 HydrophobicContact CD2-SD 4.34Å; G11-M33 PolarHBondContact N-O 3.42Å; L31-M33 HydrophobicContact CD1-CG 4.03Å; L31-M33 HydrophobicContact CD1-SD 4.46Å; L31-M33 HydrophobicContact CD2-CG 4.31Å; L31-M33 HydrophobicContact CD2-SD 3.71Å; L31-M33 HydrophobicContact CG-CG 3.93Å; L31-M33 HydrophobicContact CG-SD 3.97Å; M33-M250 CarbonylContact C-O 3.58Å; M33-M250 VanDerWaalsContact CA-O 3.31Å; M33-M250 WeakPolarHBondContact CA-O 3.46Å; M33-M250 HydrophobicContact CG-CB 4.24Å; M33-K253 HydrophobicContact CE-CB 4.34Å; M33-K253 HydrophobicContact CE-CG 3.5Å; M33-V255 HydrophobicContact CE-CG2 4.48Å
34	D	98.1	Very high	94.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.211	C	C	.	.			trans	-131.1	139.4	169.7	-154	-51.4	0	0	0	110.2	T12 N36 M250 L251 N252 K253	T12-D34 WeakPolarHBondContact CB-OD2 3.42Å; T12-D34 HydrophobicContact CG2-CB 3.82Å; T12-D34 PolarHBondContact N-OD2 3.38Å; T12-D34 PolarHBondContact OG1-OD2 2.97Å; D34-N36 PolarHBondContact O-N 2.96Å; D34-N36 VanDerWaalsContact OD1-CB 3.31Å; D34-N36 WeakPolarHBondContact OD1-CB 3.39Å; D34-N36 PolarHBondContact OD1-N 2.91Å; D34-N36 PolarHBondContact OD1-ND2 2.81Å; D34-M250 PolarHBondContact N-O 2.94Å; D34-L251 HydrophobicContact CB-CD2 3.61Å; D34-L251 CarbonylContact O-C 3.5Å; D34-N252 PolarHBondContact O-N 3.05Å; D34-N252 VanDerWaalsContact O-N 3.12Å; D34-K253 PolarHBondContact O-N 3.41Å
35	R	97.9	Very high	94.9	Very high	102 Å²	102	41.8 Å²	41.8	39%	0.385	22%	0.219	S	C	.	.	S	Bend	trans	-72	-24.6	174.8	71.7	-178.5	78.9	179.7	5.9	111.3	S285 Y286	R35-S285 PolarHBondContact NH2-O 3.17Å; R35-S285 PolarHBondContact NH2-OG 2.96Å; R35-Y286 PolarHBondContact N-OH 2.91Å; R35-Y286 VanDerWaalsContact NH2-CE1 3.35Å
36	N	96.1	Very high	95.4	Very high	42 Å²	42	41.4 Å²	41.4	23%	0.225	22%	0.216	C	C	.	.	S	Bend	trans	-83.9	151.2	-178	-60.4	-64.6	0	0	0	111.2	D34 Y38 N252	D34-N36 PolarHBondContact O-N 2.96Å; D34-N36 VanDerWaalsContact OD1-CB 3.31Å; D34-N36 WeakPolarHBondContact OD1-CB 3.39Å; D34-N36 PolarHBondContact OD1-N 2.91Å; D34-N36 PolarHBondContact OD1-ND2 2.81Å; N36-Y38 HydrophobicContact CB-CD1 4.09Å; N36-Y38 HydrophobicContact CB-CD2 4.32Å; N36-Y38 HydrophobicContact CB-CE1 3.84Å; N36-Y38 HydrophobicContact CB-CE2 4.12Å; N36-Y38 HydrophobicContact CB-CG 4.3Å; N36-Y38 PolarHBondContact O-N 3.24Å; N36-Y38 PolarHBondContact OD1-OH 2.68Å; N36-N252 PolarHBondContact O-N 3.01Å
37	P	94.6	Very high	95.8	Very high	89 Å²	89	42.2 Å²	42.2	58%	0.578	22%	0.223	S	C	*	.	S	Bend	trans	-79.3	9.7	174.1	33.4	-35.2	0	0	0	113.5	N252	P37-N252 HydrophobicContact CB-CB 4.18Å
38	Y	93.9	Very high	96.2	Very high	87 Å²	87	41.4 Å²	41.4	34%	0.341	21%	0.206	S	C	.	.	S	Bend	trans	-139.3	161.6	-176.9	56.4	-95.6	0	0	0	110.7	N36	N36-Y38 HydrophobicContact CB-CD1 4.09Å; N36-Y38 HydrophobicContact CB-CD2 4.32Å; N36-Y38 HydrophobicContact CB-CE1 3.84Å; N36-Y38 HydrophobicContact CB-CE2 4.12Å; N36-Y38 HydrophobicContact CB-CG 4.3Å; N36-Y38 PolarHBondContact O-N 3.24Å; N36-Y38 PolarHBondContact OD1-OH 2.68Å
39	Y	95	Very high	96.4	Very high	72 Å²	72	37.1 Å²	37.1	28%	0.282	19%	0.187	S	C	.	.	S	Bend	trans	-85	155.5	177.1	-70.1	-71.6	0	0	0	113.3	T12 S44 P235 Q236 A239 Y249 L251	T12-Y39 HydrophobicContact CG2-CD1 3.76Å; T12-Y39 HydrophobicContact CG2-CE1 4.1Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.34Å; Y39-S44 WeakPolarHBondContact O-CB 3.46Å; Y39-P235 HydrophobicContact CD1-CB 4.39Å; Y39-P235 HydrophobicContact CG-CB 4.38Å; Y39-Q236 HydrophobicContact CD2-CG 3.92Å; Y39-Q236 HydrophobicContact CE2-CG 4.36Å; Y39-A239 HydrophobicContact CE1-CB 3.93Å; Y39-Y249 AromaticContact CE1-CD1 3.84Å; Y39-Y249 HydrophobicContact CE1-CD1 3.84Å; Y39-Y249 HydrophobicContact CE1-CE1 4.18Å; Y39-L251 HydrophobicContact CD1-CD1 4.37Å; Y39-L251 HydrophobicContact CD1-CD2 3.92Å; Y39-L251 HydrophobicContact CD2-CD1 4.02Å; Y39-L251 HydrophobicContact CE1-CD1 4.09Å; Y39-L251 HydrophobicContact CE1-CD2 3.81Å; Y39-L251 HydrophobicContact CE1-CG 4.11Å; Y39-L251 HydrophobicContact CE2-CD1 3.72Å; Y39-L251 HydrophobicContact CG-CD1 4.33Å; Y39-L251 HydrophobicContact CG-CD2 4.48Å
40	G	93.2	Very high	96.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	106.7	-8.8	163	0	0	0	0	0	115.7	T12 E42 S43 S44	T12-G40 WeakPolarHBondContact O-CA 3.34Å; T12-G40 PolarHBondContact O-N 2.81Å; T12-G40 PolarHBondContact OG1-N 3.45Å; G40-E42 PolarHBondContact O-N 2.87Å; G40-S43 CarbonylContact O-C 3.49Å; G40-S43 VanDerWaalsContact O-C 3.27Å; G40-S43 WeakPolarHBondContact O-CA 3.3Å; G40-S43 PolarHBondContact O-N 2.93Å; G40-S43 PolarHBondContact O-OG 2.9Å; G40-S44 PolarHBondContact O-N 3.03Å
41	G	94.3	Very high	96.5	Very high	8 Å²	8	41.5 Å²	41.5	8%	0.082	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	52	-132.6	-178.2	0	0	0	0	0	112.3	S43 S44	G41-S43 PolarHBondContact O-N 3.45Å; G41-S44 WeakPolarHBondContact O-CB 3.4Å; G41-S44 PolarHBondContact O-N 3.41Å; G41-S44 PolarHBondContact O-OG 2.75Å
42	E	94.6	Very high	96.5	Very high	115 Å²	115	41.3 Å²	41.3	54%	0.537	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-62.5	-23.7	174.7	-70.1	-62.1	128.9	0	0	113.7	G40 I77	G40-E42 PolarHBondContact O-N 2.87Å; E42-I77 HydrophobicContact CB-CD1 4.19Å; E42-I77 WeakPolarHBondContact O-CD1 3.36Å; E42-I77 WeakPolarHBondContact O-CG1 3.28Å
43	S	95.4	Very high	96.5	Very high	14 Å²	14	41.7 Å²	41.7	10%	0.098	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-95.4	21.5	177.4	55	0	0	0	0	113.4	G40 G41 Y404	G40-S43 CarbonylContact O-C 3.49Å; G40-S43 VanDerWaalsContact O-C 3.27Å; G40-S43 WeakPolarHBondContact O-CA 3.3Å; G40-S43 PolarHBondContact O-N 2.93Å; G40-S43 PolarHBondContact O-OG 2.9Å; G41-S43 PolarHBondContact O-N 3.45Å; S43-Y404 WeakPolarHBondContact OG-CE2 3.26Å
44	S	96.6	Very high	96.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.7	151.5	-179.4	63.5	0	0	0	0	113.2	Y39 G40 G41 I46 L76	Y39-S44 WeakPolarHBondContact O-CB 3.46Å; G40-S44 PolarHBondContact O-N 3.03Å; G41-S44 WeakPolarHBondContact O-CB 3.4Å; G41-S44 PolarHBondContact O-N 3.41Å; G41-S44 PolarHBondContact O-OG 2.75Å; S44-I46 WeakPolarHBondContact OG-CD1 3.24Å; S44-L76 WeakPolarHBondContact O-CG 3.26Å; S44-L76 PolarHBondContact O-N 3.16Å; S44-L76 WeakPolarHBondContact OG-CD1 3.27Å
45	S	97.6	Very high	96.4	Very high	26 Å²	26	52.9 Å²	52.9	18%	0.182	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.3	165.9	-154.3	0	0	0	0	110	N73 D75	S45-N73 VanDerWaalsContact OG-C 3.28Å; S45-N73 PolarHBondContact OG-O 3.37Å; S45-D75 WeakPolarHBondContact CB-OD1 3.36Å; S45-D75 PolarHBondContact OG-OD1 3.26Å
46	I	97.9	Very high	96.3	Very high	19 Å²	19	50 Å²	50	10%	0.097	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.2	-175.7	-52	-58	0	0	0	110.4	S44 E51 L52 V74 L76	S44-I46 WeakPolarHBondContact OG-CD1 3.24Å; I46-E51 HydrophobicContact CG2-CB 3.91Å; I46-L52 HydrophobicContact CB-CD1 4.19Å; I46-L52 HydrophobicContact CG1-CD1 4.25Å; I46-L52 HydrophobicContact CG2-CB 4.07Å; I46-L52 HydrophobicContact CG2-CD1 4.41Å; I46-V74 PolarHBondContact N-O 3.31Å; I46-V74 PolarHBondContact O-N 3.36Å; I46-L76 HydrophobicContact CD1-CD1 4.24Å; I46-L76 HydrophobicContact CD1-CG 4.42Å; I46-L76 HydrophobicContact CG1-CD1 4.31Å; I46-L76 HydrophobicContact CG1-CD2 3.86Å; I46-L76 HydrophobicContact CG1-CG 4Å
47	T	97.1	Very high	96.3	Very high	68 Å²	68	54 Å²	54	42%	0.417	27%	0.271	S	S	.	.			trans	-146.8	143.5	174.4	-170.3	0	0	0	0	110.1	W72	T47-W72 WeakPolarHBondContact CB-O 3.34Å; T47-W72 PolarHBondContact OG1-O 3.23Å
48	P	97.6	Very high	96.3	Very high	47 Å²	47	52 Å²	52	31%	0.305	26%	0.256	S	S	.	.	S	Bend	cis	-76.6	178.3	-7.6	37.3	-39.4	0	0	0	112.2	E50 E51 G69	P48-E50 VanDerWaalsContact CB-OE2 3.24Å; P48-E50 WeakPolarHBondContact CB-OE2 3.32Å; P48-E50 WeakPolarHBondContact CG-OE2 3.48Å; P48-E50 PolarHBondContact O-N 2.84Å; P48-E50 VanDerWaalsContact O-N 3.11Å; P48-E51 PolarHBondContact O-N 2.8Å; P48-G69 WeakPolarHBondContact CA-O 3.48Å; P48-G69 WeakPolarHBondContact CB-O 3.26Å
49	L	98.3	Very high	95.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.1	-31.3	-178.7	-175.5	61.7	0	0	0	113.8	E51 L52 Y53 P62 M66 G69 W72 I303	L49-E51 VanDerWaalsContact C-N 3.28Å; L49-E51 PolarHBondContact O-N 3.44Å; L49-L52 HydrophobicContact CD1-CB 4.28Å; L49-L52 HydrophobicContact CD1-CD2 3.86Å; L49-L52 VanDerWaalsContact O-CB 3.3Å; L49-L52 WeakPolarHBondContact O-CB 3.46Å; L49-L52 PolarHBondContact O-N 3.4Å; L49-L52 VanDerWaalsContact O-N 3.07Å; L49-Y53 HydrophobicContact CD1-CD2 4.29Å; L49-Y53 HydrophobicContact CD1-CE2 4.13Å; L49-Y53 HydrophobicContact CD2-CE2 4.21Å; L49-Y53 HydrophobicContact CG-CD2 4.11Å; L49-Y53 HydrophobicContact CG-CE2 3.96Å; L49-Y53 WeakPolarHBondContact O-CD2 3.35Å; L49-Y53 PolarHBondContact O-N 2.57Å; L49-Y53 VanDerWaalsContact O-N 3.14Å; L49-P62 HydrophobicContact CB-CG 4.31Å; L49-P62 HydrophobicContact CD2-CB 3.69Å; L49-P62 HydrophobicContact CD2-CG 4.06Å; L49-P62 HydrophobicContact CG-CB 4.08Å; L49-P62 HydrophobicContact CG-CG 3.87Å; L49-M66 HydrophobicContact CD2-CB 3.64Å; L49-M66 HydrophobicContact CD2-CG 4.01Å; L49-G69 PolarHBondContact N-O 2.86Å; L49-W72 HydrophobicContact CB-CB 4.04Å; L49-W72 HydrophobicContact CB-CD2 4.27Å; L49-W72 HydrophobicContact CB-CG 3.77Å; L49-W72 HydrophobicContact CD1-CD2 4.05Å; L49-W72 HydrophobicContact CD1-CE3 4.06Å; L49-W72 HydrophobicContact CD1-CG 4.34Å; L49-W72 HydrophobicContact CD2-CD2 4Å; L49-W72 HydrophobicContact CD2-CG 4.3Å; L49-W72 HydrophobicContact CD2-CZ2 4.02Å; L49-W72 HydrophobicContact CG-CD2 4.33Å; L49-W72 HydrophobicContact CG-CG 4.35Å; L49-I303 HydrophobicContact CD1-CD1 3.97Å; L49-I303 HydrophobicContact CD2-CD1 4.5Å
50	E	97.8	Very high	95.7	Very high	87 Å²	87	55.9 Å²	55.9	41%	0.407	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-37.6	176.1	-65	78.4	-179.7	0	0	112.2	P48 L52 Y53 K54 P62 G69	P48-E50 VanDerWaalsContact CB-OE2 3.24Å; P48-E50 WeakPolarHBondContact CB-OE2 3.32Å; P48-E50 WeakPolarHBondContact CG-OE2 3.48Å; P48-E50 PolarHBondContact O-N 2.84Å; P48-E50 VanDerWaalsContact O-N 3.11Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.13Å; E50-Y53 PolarHBondContact O-N 3.18Å; E50-K54 WeakPolarHBondContact O-CB 3.39Å; E50-K54 PolarHBondContact O-N 2.95Å; E50-P62 HydrophobicContact CG-CG 3.99Å; E50-G69 WeakPolarHBondContact OE2-CA 3.21Å
51	E	97.3	Very high	95.7	Very high	83 Å²	83	60.3 Å²	60.3	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-71.1	-27.4	176.5	-70.7	-63.7	139.5	0	0	111.7	I46 P48 L49 K54 R55	I46-E51 HydrophobicContact CG2-CB 3.91Å; P48-E51 PolarHBondContact O-N 2.8Å; L49-E51 VanDerWaalsContact C-N 3.28Å; L49-E51 PolarHBondContact O-N 3.44Å; E51-K54 IonicContact OE1-NZ 2.67Å; E51-K54 PolarHBondContact OE1-NZ 2.99Å; E51-K54 VanDerWaalsContact OE1-NZ 3.15Å; E51-K54 WeakPolarHBondContact OE2-CD 3.27Å; E51-K54 IonicContact OE2-NZ 3.11Å; E51-K54 PolarHBondContact OE2-NZ 2.73Å; E51-R55 VanDerWaalsContact O-CB 3.31Å; E51-R55 WeakPolarHBondContact O-CB 3.42Å; E51-R55 PolarHBondContact O-N 3.27Å
52	L	97.8	Very high	95.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-47.6	171.3	-171.6	72.6	0	0	0	110.6	I46 L49 E50 K54 R55 F56 V74 L76 I301 F380	I46-L52 HydrophobicContact CB-CD1 4.19Å; I46-L52 HydrophobicContact CG1-CD1 4.25Å; I46-L52 HydrophobicContact CG2-CB 4.07Å; I46-L52 HydrophobicContact CG2-CD1 4.41Å; L49-L52 HydrophobicContact CD1-CB 4.28Å; L49-L52 HydrophobicContact CD1-CD2 3.86Å; L49-L52 VanDerWaalsContact O-CB 3.3Å; L49-L52 WeakPolarHBondContact O-CB 3.46Å; L49-L52 PolarHBondContact O-N 3.4Å; L49-L52 VanDerWaalsContact O-N 3.07Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.13Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 2.84Å; L52-R55 PolarHBondContact O-N 2.93Å; L52-F56 HydrophobicContact CD1-CD2 3.93Å; L52-F56 HydrophobicContact CD1-CE2 3.61Å; L52-F56 HydrophobicContact CG-CD2 4.22Å; L52-F56 HydrophobicContact CG-CE2 4.35Å; L52-F56 WeakPolarHBondContact O-CD2 3.27Å; L52-F56 PolarHBondContact O-N 3.48Å; L52-F56 VanDerWaalsContact O-N 3.09Å; L52-V74 HydrophobicContact CD1-CB 4.41Å; L52-V74 HydrophobicContact CD1-CG1 4.31Å; L52-V74 HydrophobicContact CD2-CB 4.07Å; L52-V74 HydrophobicContact CD2-CG1 3.89Å; L52-V74 HydrophobicContact CD2-CG2 4Å; L52-L76 HydrophobicContact CD1-CD2 4.23Å; L52-I301 HydrophobicContact CD1-CD1 4.49Å; L52-F380 HydrophobicContact CD2-CD1 4.13Å; L52-F380 HydrophobicContact CD2-CD2 4.03Å; L52-F380 HydrophobicContact CD2-CE1 3.82Å; L52-F380 HydrophobicContact CD2-CE2 3.75Å; L52-F380 HydrophobicContact CD2-CG 4.22Å; L52-F380 HydrophobicContact CD2-CZ 3.64Å; L52-F380 HydrophobicContact CG-CD1 4Å; L52-F380 HydrophobicContact CG-CE1 3.87Å; L52-F380 HydrophobicContact CG-CG 4.42Å; L52-F380 HydrophobicContact CG-CZ 4.21Å
53	Y	98.1	Very high	95.9	Very high	9 Å²	9	58.2 Å²	58.2	4%	0.035	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-45.2	176.3	-87.9	-113.6	0	0	0	111.7	L49 E50 F56 T57 L58 D60 P62 F380	L49-Y53 HydrophobicContact CD1-CD2 4.29Å; L49-Y53 HydrophobicContact CD1-CE2 4.13Å; L49-Y53 HydrophobicContact CD2-CE2 4.21Å; L49-Y53 HydrophobicContact CG-CD2 4.11Å; L49-Y53 HydrophobicContact CG-CE2 3.96Å; L49-Y53 WeakPolarHBondContact O-CD2 3.35Å; L49-Y53 PolarHBondContact O-N 2.57Å; L49-Y53 VanDerWaalsContact O-N 3.14Å; E50-Y53 PolarHBondContact O-N 3.18Å; Y53-F56 CarbonylContact O-C 3.49Å; Y53-F56 PolarHBondContact O-N 3.31Å; Y53-T57 PolarHBondContact O-N 2.92Å; Y53-T57 VanDerWaalsContact O-N 3.13Å; Y53-L58 HydrophobicContact CD1-CB 3.71Å; Y53-L58 HydrophobicContact CD1-CD1 3.55Å; Y53-L58 HydrophobicContact CD1-CG 4.3Å; Y53-L58 HydrophobicContact CE1-CB 4.48Å; Y53-L58 HydrophobicContact CE1-CD1 3.82Å; Y53-L58 HydrophobicContact CG-CB 4.33Å; Y53-L58 HydrophobicContact CG-CD1 3.96Å; Y53-L58 PolarHBondContact O-N 2.79Å; Y53-D60 WeakPolarHBondContact CD1-O 3.17Å; Y53-P62 HydrophobicContact CD2-CB 4.22Å; Y53-P62 HydrophobicContact CD2-CG 3.61Å; Y53-P62 HydrophobicContact CE2-CB 3.81Å; Y53-P62 HydrophobicContact CE2-CG 3.74Å; Y53-P62 HydrophobicContact CG-CG 4.01Å; Y53-F380 AromaticContact CD2-CE1 3.73Å; Y53-F380 HydrophobicContact CD2-CE1 3.73Å; Y53-F380 AromaticContact CD2-CZ 3.82Å; Y53-F380 HydrophobicContact CD2-CZ 3.82Å; Y53-F380 AromaticContact CE2-CE1 3.89Å; Y53-F380 HydrophobicContact CE2-CE1 3.89Å; Y53-F380 AromaticContact CE2-CZ 3.54Å; Y53-F380 HydrophobicContact CE2-CZ 3.54Å; Y53-F380 HydrophobicContact CG-CE1 4.22Å
54	K	96.9	Very high	95.9	Very high	135 Å²	135	67 Å²	67	59%	0.587	36%	0.359	S	S	*	.	H	α-helix	trans	-62.2	-43.8	176.6	-179.5	-179.8	162.4	-154.8	0	112.4	E50 E51 L52 F56 T57	E50-K54 WeakPolarHBondContact O-CB 3.39Å; E50-K54 PolarHBondContact O-N 2.95Å; E51-K54 IonicContact OE1-NZ 2.67Å; E51-K54 PolarHBondContact OE1-NZ 2.99Å; E51-K54 VanDerWaalsContact OE1-NZ 3.15Å; E51-K54 WeakPolarHBondContact OE2-CD 3.27Å; E51-K54 IonicContact OE2-NZ 3.11Å; E51-K54 PolarHBondContact OE2-NZ 2.73Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 2.84Å; K54-F56 VanDerWaalsContact C-N 3.28Å; K54-F56 PolarHBondContact O-N 3.2Å; K54-T57 PolarHBondContact O-N 2.88Å; K54-T57 VanDerWaalsContact O-N 3.09Å
55	R	95.8	Very high	96	Very high	107 Å²	107	70.9 Å²	70.9	40%	0.404	39%	0.386	S	S	.	.	H	α-helix	trans	-58.8	-40.6	177.3	-179.2	177.8	179.7	86.5	-0.8	111.8	E51 L52 T57 L76	E51-R55 VanDerWaalsContact O-CB 3.31Å; E51-R55 WeakPolarHBondContact O-CB 3.42Å; E51-R55 PolarHBondContact O-N 3.27Å; L52-R55 PolarHBondContact O-N 2.93Å; R55-T57 VanDerWaalsContact C-N 3.27Å; R55-T57 PolarHBondContact O-N 2.87Å; R55-L76 VanDerWaalsContact NE-CD1 3.35Å
56	F	96.9	Very high	96	Very high	40 Å²	40	69.8 Å²	69.8	18%	0.175	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	13.1	179.1	-74.4	-91.9	0	0	0	113.5	L52 Y53 K54 L58 L76 I301 F380 V381 A382	L52-F56 HydrophobicContact CD1-CD2 3.93Å; L52-F56 HydrophobicContact CD1-CE2 3.61Å; L52-F56 HydrophobicContact CG-CD2 4.22Å; L52-F56 HydrophobicContact CG-CE2 4.35Å; L52-F56 WeakPolarHBondContact O-CD2 3.27Å; L52-F56 PolarHBondContact O-N 3.48Å; L52-F56 VanDerWaalsContact O-N 3.09Å; Y53-F56 CarbonylContact O-C 3.49Å; Y53-F56 PolarHBondContact O-N 3.31Å; K54-F56 VanDerWaalsContact C-N 3.28Å; K54-F56 PolarHBondContact O-N 3.2Å; F56-L58 HydrophobicContact CB-CG 4.32Å; F56-L58 PolarHBondContact O-N 3.44Å; F56-L58 VanDerWaalsContact O-N 3.16Å; F56-L76 HydrophobicContact CE2-CD2 4.11Å; F56-L76 HydrophobicContact CZ-CD2 4.38Å; F56-I301 HydrophobicContact CE2-CD1 4.46Å; F56-I301 HydrophobicContact CZ-CD1 4.3Å; F56-F380 HydrophobicContact CB-CB 4.48Å; F56-F380 HydrophobicContact CB-CD1 3.89Å; F56-F380 HydrophobicContact CD1-CB 3.71Å; F56-F380 HydrophobicContact CD2-CB 3.87Å; F56-F380 AromaticContact CD2-CD1 3.83Å; F56-F380 HydrophobicContact CD2-CD1 3.83Å; F56-F380 HydrophobicContact CD2-CG 4.23Å; F56-F380 HydrophobicContact CE1-CB 3.74Å; F56-F380 HydrophobicContact CE2-CB 3.94Å; F56-F380 HydrophobicContact CG-CB 3.76Å; F56-F380 AromaticContact CG-CD1 3.87Å; F56-F380 HydrophobicContact CG-CD1 3.87Å; F56-F380 HydrophobicContact CG-CG 4.3Å; F56-F380 HydrophobicContact CZ-CB 3.86Å; F56-V381 WeakPolarHBondContact CE1-O 3.29Å; F56-A382 HydrophobicContact CE1-CB 3.88Å; F56-A382 HydrophobicContact CZ-CB 4.21Å
57	T	96.4	Very high	96	Very high	126 Å²	126	71.1 Å²	71.1	77%	0.773	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	35.5	176.1	-36.9	0	0	0	0	113.1	Y53 K54 R55	Y53-T57 PolarHBondContact O-N 2.92Å; Y53-T57 VanDerWaalsContact O-N 3.13Å; K54-T57 PolarHBondContact O-N 2.88Å; K54-T57 VanDerWaalsContact O-N 3.09Å; R55-T57 VanDerWaalsContact C-N 3.27Å; R55-T57 PolarHBondContact O-N 2.87Å
58	L	94.3	Very high	96	Very high	49 Å²	49	75.6 Å²	75.6	26%	0.257	41%	0.406	S	S	.	.			trans	-75.7	134.6	175.2	-63.9	-179.5	0	0	0	109.5	Y53 F56 D60 Q378 F380	Y53-L58 HydrophobicContact CD1-CB 3.71Å; Y53-L58 HydrophobicContact CD1-CD1 3.55Å; Y53-L58 HydrophobicContact CD1-CG 4.3Å; Y53-L58 HydrophobicContact CE1-CB 4.48Å; Y53-L58 HydrophobicContact CE1-CD1 3.82Å; Y53-L58 HydrophobicContact CG-CB 4.33Å; Y53-L58 HydrophobicContact CG-CD1 3.96Å; Y53-L58 PolarHBondContact O-N 2.79Å; F56-L58 HydrophobicContact CB-CG 4.32Å; F56-L58 PolarHBondContact O-N 3.44Å; F56-L58 VanDerWaalsContact O-N 3.16Å; L58-D60 VanDerWaalsContact C-N 3.33Å; L58-D60 PolarHBondContact O-N 2.74Å; L58-Q378 HydrophobicContact CD1-CG 4.41Å; L58-F380 HydrophobicContact CD1-CD1 3.73Å; L58-F380 HydrophobicContact CD1-CE1 3.43Å; L58-F380 VanDerWaalsContact CD1-CE1 3.43Å; L58-F380 HydrophobicContact CD1-CZ 4.31Å
59	P	86.3	Confident	96	Very high	118 Å²	118	73.8 Å²	73.8	77%	0.766	40%	0.396	S	S	*	.	S	Bend	trans	-71.6	-28.7	-172	28	-35.1	0	0	0	113.1
60	D	90	Very high	96	Very high	121 Å²	121	82.2 Å²	82.2	65%	0.647	43%	0.427	S	S	*	.	S	Bend	trans	-96.6	151.6	-174.7	-59.4	-46.1	0	0	0	111.5	Y53 L58	Y53-D60 WeakPolarHBondContact CD1-O 3.17Å; L58-D60 VanDerWaalsContact C-N 3.33Å; L58-D60 PolarHBondContact O-N 2.74Å
61	S	92.5	Very high	96	Very high	94 Å²	94	80.9 Å²	80.9	66%	0.657	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-69.7	154.9	163.9	56.1	0	0	0	0	110.3
62	P	96.6	Very high	96.1	Very high	19 Å²	19	77 Å²	77	12%	0.123	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-51.9	131.1	172.1	-17.5	25.7	0	0	0	110.8	L49 E50 Y53 M66	L49-P62 HydrophobicContact CB-CG 4.31Å; L49-P62 HydrophobicContact CD2-CB 3.69Å; L49-P62 HydrophobicContact CD2-CG 4.06Å; L49-P62 HydrophobicContact CG-CB 4.08Å; L49-P62 HydrophobicContact CG-CG 3.87Å; E50-P62 HydrophobicContact CG-CG 3.99Å; Y53-P62 HydrophobicContact CD2-CB 4.22Å; Y53-P62 HydrophobicContact CD2-CG 3.61Å; Y53-P62 HydrophobicContact CE2-CB 3.81Å; Y53-P62 HydrophobicContact CE2-CG 3.74Å; Y53-P62 HydrophobicContact CG-CG 4.01Å; P62-M66 HydrophobicContact CB-CB 4.37Å; P62-M66 HydrophobicContact CB-CG 4.37Å
63	P	96.7	Very high	96.1	Very high	60 Å²	60	78.4 Å²	78.4	39%	0.39	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.4	155.5	179.7	25.8	-31.7	0	0	0	110.8	S65 M66	P63-S65 PolarHBondContact O-N 3.07Å; P63-M66 HydrophobicContact CG-CE 4.31Å; P63-M66 HydrophobicContact CG-CG 3.87Å; P63-M66 WeakPolarHBondContact O-CB 3.24Å; P63-M66 PolarHBondContact O-N 3Å
64	E	96.3	Very high	96.1	Very high	197 Å²	197	78.1 Å²	78.1	92%	0.921	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-54.9	-27.7	-179.3	-66.7	-173.6	169.9	0	0	113.2	M66 G67	E64-M66 PolarHBondContact O-N 3.28Å; E64-M66 VanDerWaalsContact O-N 3.16Å; E64-G67 PolarHBondContact O-N 2.86Å
65	S	97.2	Very high	96.2	Very high	83 Å²	83	71.8 Å²	71.8	58%	0.58	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-63.9	-13.6	175.7	61.4	0	0	0	0	114.1	P63 G67 K348	P63-S65 PolarHBondContact O-N 3.07Å; S65-G67 VanDerWaalsContact C-N 3.27Å; S65-K348 WeakPolarHBondContact O-CE 3.5Å; S65-K348 PolarHBondContact O-NZ 2.9Å
66	M	97.9	Very high	96.3	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.02	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-80.6	-5.7	173.4	-63.1	-61.7	-175.5	0	0	113.2	L49 P62 P63 E64 W72 I303 A345 D377 Q378	L49-M66 HydrophobicContact CD2-CB 3.64Å; L49-M66 HydrophobicContact CD2-CG 4.01Å; P62-M66 HydrophobicContact CB-CB 4.37Å; P62-M66 HydrophobicContact CB-CG 4.37Å; P63-M66 HydrophobicContact CG-CE 4.31Å; P63-M66 HydrophobicContact CG-CG 3.87Å; P63-M66 WeakPolarHBondContact O-CB 3.24Å; P63-M66 PolarHBondContact O-N 3Å; E64-M66 PolarHBondContact O-N 3.28Å; E64-M66 VanDerWaalsContact O-N 3.16Å; M66-W72 HydrophobicContact CB-CZ2 4.24Å; M66-W72 VanDerWaalsContact O-CZ2 3.29Å; M66-W72 WeakPolarHBondContact O-CZ2 3.43Å; M66-W72 PolarHBondContact O-NE1 3.02Å; M66-W72 HydrophobicContact SD-CZ2 4.41Å; M66-I303 HydrophobicContact CE-CB 4.46Å; M66-I303 HydrophobicContact CE-CD1 4.31Å; M66-I303 HydrophobicContact CE-CG2 4.08Å; M66-I303 HydrophobicContact SD-CD1 4.22Å; M66-I303 HydrophobicContact SD-CG2 3.73Å; M66-A345 VanDerWaalsContact O-CB 3.31Å; M66-A345 WeakPolarHBondContact O-CB 3.14Å; M66-D377 HydrophobicContact CE-CB 3.75Å; M66-Q378 HydrophobicContact CE-CB 3.95Å
67	G	97.8	Very high	96.4	Very high	46 Å²	46	66 Å²	66	47%	0.474	36%	0.363	S	S	.	.			trans	73.5	-157	-178	0	0	0	0	0	112.6	E64 S65	E64-G67 PolarHBondContact O-N 2.86Å; S65-G67 VanDerWaalsContact C-N 3.27Å
68	R	97.6	Very high	96.2	Very high	163 Å²	163	60.2 Å²	60.2	62%	0.615	33%	0.328	S	S	*	.			trans	-79.3	124	-174.8	-64.3	175.3	174.9	173.4	-2.4	110.3	R70 D71 W72	R68-R70 VanDerWaalsContact C-N 3.26Å; R68-R70 PolarHBondContact O-N 2.91Å; R68-R70 VanDerWaalsContact O-N 3.15Å; R68-D71 WeakPolarHBondContact O-CB 3.48Å; R68-D71 PolarHBondContact O-N 2.68Å; R68-W72 VanDerWaalsContact O-CD1 3.24Å
69	G	97.9	Very high	96.4	Very high	9 Å²	9	57.9 Å²	57.9	9%	0.093	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-54.5	-35.5	-177.9	0	0	0	0	0	115	P48 L49 E50 D71 W72	P48-G69 WeakPolarHBondContact CA-O 3.48Å; P48-G69 WeakPolarHBondContact CB-O 3.26Å; L49-G69 PolarHBondContact N-O 2.86Å; E50-G69 WeakPolarHBondContact OE2-CA 3.21Å; G69-D71 PolarHBondContact O-N 3.25Å; G69-W72 WeakPolarHBondContact O-CB 3.38Å; G69-W72 PolarHBondContact O-N 3.05Å
70	R	97.7	Very high	97	Very high	176 Å²	176	52.3 Å²	52.3	66%	0.664	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-70.1	-14.7	179.1	74.1	-177.2	-174.6	-174.7	1.9	115.2	R68 W72	R68-R70 VanDerWaalsContact C-N 3.26Å; R68-R70 PolarHBondContact O-N 2.91Å; R68-R70 VanDerWaalsContact O-N 3.15Å; R70-W72 PolarHBondContact O-N 3.4Å
71	D	98.2	Very high	97.3	Very high	60 Å²	60	46.6 Å²	46.6	32%	0.321	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-81.6	0.7	177	-59.5	-9.9	0	0	0	110.7	R68 G69 V343 A344 A345	R68-D71 WeakPolarHBondContact O-CB 3.48Å; R68-D71 PolarHBondContact O-N 2.68Å; G69-D71 PolarHBondContact O-N 3.25Å; D71-V343 CarbonylContact O-C 3.21Å; D71-A344 CarbonylContact O-C 3.54Å; D71-A344 WeakPolarHBondContact O-CA 3.38Å; D71-A344 PolarHBondContact O-N 3.29Å; D71-A345 HydrophobicContact CB-CB 4.32Å
72	W	98.7	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.			trans	-101.9	132.2	178.8	-62.1	78.1	0	0	0	111.3	T47 L49 M66 R68 G69 R70 V74 I303 V343 A344 A345 K348 I350	T47-W72 WeakPolarHBondContact CB-O 3.34Å; T47-W72 PolarHBondContact OG1-O 3.23Å; L49-W72 HydrophobicContact CB-CB 4.04Å; L49-W72 HydrophobicContact CB-CD2 4.27Å; L49-W72 HydrophobicContact CB-CG 3.77Å; L49-W72 HydrophobicContact CD1-CD2 4.05Å; L49-W72 HydrophobicContact CD1-CE3 4.06Å; L49-W72 HydrophobicContact CD1-CG 4.34Å; L49-W72 HydrophobicContact CD2-CD2 4Å; L49-W72 HydrophobicContact CD2-CG 4.3Å; L49-W72 HydrophobicContact CD2-CZ2 4.02Å; L49-W72 HydrophobicContact CG-CD2 4.33Å; L49-W72 HydrophobicContact CG-CG 4.35Å; M66-W72 HydrophobicContact CB-CZ2 4.24Å; M66-W72 VanDerWaalsContact O-CZ2 3.29Å; M66-W72 WeakPolarHBondContact O-CZ2 3.43Å; M66-W72 PolarHBondContact O-NE1 3.02Å; M66-W72 HydrophobicContact SD-CZ2 4.41Å; R68-W72 VanDerWaalsContact O-CD1 3.24Å; G69-W72 WeakPolarHBondContact O-CB 3.38Å; G69-W72 PolarHBondContact O-N 3.05Å; R70-W72 PolarHBondContact O-N 3.4Å; W72-V74 HydrophobicContact CB-CG2 4.21Å; W72-V74 HydrophobicContact CE3-CG2 3.97Å; W72-I303 HydrophobicContact CE3-CD1 4.5Å; W72-I303 HydrophobicContact CH2-CB 4.46Å; W72-I303 HydrophobicContact CH2-CD1 3.79Å; W72-I303 HydrophobicContact CH2-CG1 4.03Å; W72-I303 HydrophobicContact CH2-CG2 3.6Å; W72-I303 HydrophobicContact CZ3-CD1 3.71Å; W72-I303 HydrophobicContact CZ3-CG1 3.83Å; W72-I303 HydrophobicContact CZ3-CG2 4.21Å; W72-V343 CarbonylContact C-O 3.59Å; W72-V343 VanDerWaalsContact CA-O 3.3Å; W72-V343 WeakPolarHBondContact CA-O 3.11Å; W72-A344 HydrophobicContact CD2-CB 4.28Å; W72-A344 HydrophobicContact CE3-CB 3.87Å; W72-A344 HydrophobicContact CH2-CB 4.18Å; W72-A344 HydrophobicContact CZ3-CB 3.81Å; W72-A345 HydrophobicContact CZ2-CB 4.25Å; W72-K348 HydrophobicContact CH2-CB 3.67Å; W72-K348 HydrophobicContact CH2-CG 3.98Å; W72-K348 HydrophobicContact CZ2-CB 3.94Å; W72-K348 HydrophobicContact CZ2-CG 3.84Å; W72-I350 HydrophobicContact CE3-CD1 3.99Å; W72-I350 HydrophobicContact CE3-CG1 4.27Å; W72-I350 HydrophobicContact CZ3-CD1 4.1Å; W72-I350 HydrophobicContact CZ3-CG1 3.85Å
73	N	98.5	Very high	97.4	Very high	31 Å²	31	42 Å²	42	17%	0.166	22%	0.215	C	C	.	.			trans	-134.4	88.6	170.5	-61.6	-71.8	0	0	0	106.7	S45 Y229 N342 V343	S45-N73 VanDerWaalsContact OG-C 3.28Å; S45-N73 PolarHBondContact OG-O 3.37Å; N73-Y229 VanDerWaalsContact CB-O 3.25Å; N73-Y229 WeakPolarHBondContact CB-O 3.29Å; N73-N342 PolarHBondContact ND2-O 3.13Å; N73-V343 HydrophobicContact CB-CG1 4.46Å; N73-V343 PolarHBondContact N-O 3.16Å; N73-V343 WeakPolarHBondContact O-CB 3.13Å
74	V	98.6	Very high	97.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.6	-168.3	-171.3	0	0	0	0	110.4	I46 L52 W72 L76 I301 I350	I46-V74 PolarHBondContact N-O 3.31Å; I46-V74 PolarHBondContact O-N 3.36Å; L52-V74 HydrophobicContact CD1-CB 4.41Å; L52-V74 HydrophobicContact CD1-CG1 4.31Å; L52-V74 HydrophobicContact CD2-CB 4.07Å; L52-V74 HydrophobicContact CD2-CG1 3.89Å; L52-V74 HydrophobicContact CD2-CG2 4Å; W72-V74 HydrophobicContact CB-CG2 4.21Å; W72-V74 HydrophobicContact CE3-CG2 3.97Å; V74-L76 PolarHBondContact O-N 2.75Å; V74-I301 HydrophobicContact CG1-CD1 4.12Å; V74-I301 HydrophobicContact CG1-CG2 3.94Å; V74-I350 HydrophobicContact CB-CD1 4.5Å; V74-I350 HydrophobicContact CG1-CD1 4.39Å; V74-I350 HydrophobicContact CG1-CG2 4.28Å; V74-I350 HydrophobicContact CG2-CD1 3.87Å
75	D	98.5	Very high	96.9	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.9	174.6	-65.6	-12.5	0	0	0	111.3	S45 I77 P78 Y226 L231 I352	S45-D75 WeakPolarHBondContact CB-OD1 3.36Å; S45-D75 PolarHBondContact OG-OD1 3.26Å; D75-I77 VanDerWaalsContact C-N 3.32Å; D75-P78 HydrophobicContact CB-CB 4.28Å; D75-Y226 PolarHBondContact OD2-OH 3.31Å; D75-L231 PolarHBondContact OD1-N 2.94Å; D75-L231 VanDerWaalsContact OD2-CB 3.23Å; D75-L231 WeakPolarHBondContact OD2-CB 3.49Å; D75-L231 WeakPolarHBondContact OD2-CD1 3.45Å; D75-L231 WeakPolarHBondContact OD2-CG 3.37Å; D75-L231 PolarHBondContact OD2-N 3.39Å; D75-I352 WeakPolarHBondContact O-CD1 3.45Å
76	L	98.3	Very high	96.6	Very high	15 Å²	15	28.9 Å²	28.9	8%	0.079	14%	0.141	C	C	.	.	S	Bend	trans	-72	-29.3	174.3	-62.3	-178.3	0	0	0	112.6	S44 I46 L52 R55 F56 V74 R299 I301	S44-L76 WeakPolarHBondContact O-CG 3.26Å; S44-L76 PolarHBondContact O-N 3.16Å; S44-L76 WeakPolarHBondContact OG-CD1 3.27Å; I46-L76 HydrophobicContact CD1-CD1 4.24Å; I46-L76 HydrophobicContact CD1-CG 4.42Å; I46-L76 HydrophobicContact CG1-CD1 4.31Å; I46-L76 HydrophobicContact CG1-CD2 3.86Å; I46-L76 HydrophobicContact CG1-CG 4Å; L52-L76 HydrophobicContact CD1-CD2 4.23Å; R55-L76 VanDerWaalsContact NE-CD1 3.35Å; F56-L76 HydrophobicContact CE2-CD2 4.11Å; F56-L76 HydrophobicContact CZ-CD2 4.38Å; V74-L76 PolarHBondContact O-N 2.75Å; L76-R299 WeakPolarHBondContact O-CD 3.33Å; L76-I301 HydrophobicContact CD2-CD1 4.25Å
77	I	98	Very high	96.3	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.051	14%	0.141	C	C	.	.	S	Bend	trans	-134.2	76	-180	-51.3	-178.1	0	0	0	108.7	E42 D75 Y404	E42-I77 HydrophobicContact CB-CD1 4.19Å; E42-I77 WeakPolarHBondContact O-CD1 3.36Å; E42-I77 WeakPolarHBondContact O-CG1 3.28Å; D75-I77 VanDerWaalsContact C-N 3.32Å; I77-Y404 HydrophobicContact CD1-CD2 3.98Å; I77-Y404 HydrophobicContact CD1-CG 4.35Å; I77-Y404 HydrophobicContact CG2-CG 4.45Å
78	P	93.7	Very high	96	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.032	12%	0.123	C	C	.	.			trans	-68.4	136.1	177.9	33.6	-42.5	0	0	0	111.1	D75 C335 I337 I352	D75-P78 HydrophobicContact CB-CB 4.28Å; P78-C335 VanDerWaalsContact CB-SG 3.54Å; P78-C335 WeakPolarHBondContact CG-SG 3.4Å; P78-I337 HydrophobicContact CB-CD1 4.37Å; P78-I352 HydrophobicContact CB-CD1 4.04Å; P78-I352 HydrophobicContact CG-CB 3.67Å; P78-I352 HydrophobicContact CG-CD1 3.39Å; P78-I352 HydrophobicContact CG-CG1 4.01Å; P78-I352 HydrophobicContact CG-CG2 3.69Å
79	K	97.7	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.116	C	C	.	.			trans	-145	139.7	175.3	-70.8	179.7	-175.4	-75.9	0	109.1	L231 D405 T407 T408 F410	K79-L231 HydrophobicContact CB-CD1 4.49Å; K79-D405 PolarHBondContact NZ-O 2.96Å; K79-D405 IonicContact NZ-OD1 2.76Å; K79-D405 PolarHBondContact NZ-OD1 2.95Å; K79-T407 PolarHBondContact NZ-O 2.72Å; K79-T407 PolarHBondContact NZ-OG1 3.15Å; K79-T408 WeakPolarHBondContact CA-O 3.36Å; K79-F410 HydrophobicContact CB-CD1 3.93Å; K79-F410 HydrophobicContact CB-CD2 3.74Å; K79-F410 HydrophobicContact CB-CE1 3.66Å; K79-F410 HydrophobicContact CB-CE2 3.51Å; K79-F410 HydrophobicContact CB-CG 3.98Å; K79-F410 HydrophobicContact CB-CZ 3.48Å; K79-F410 VanDerWaalsContact CB-CZ 3.48Å; K79-F410 HydrophobicContact CD-CD1 3.65Å; K79-F410 HydrophobicContact CD-CE1 3.62Å; K79-F410 HydrophobicContact CD-CG 4.33Å; K79-F410 HydrophobicContact CD-CZ 4.32Å; K79-F410 HydrophobicContact CG-CD1 4.43Å; K79-F410 HydrophobicContact CG-CE1 4.2Å; K79-F410 HydrophobicContact CG-CZ 4.43Å; K79-F410 WeakPolarHBondContact O-CE2 3.4Å
80	F	98	Very high	95.3	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-88.9	148.9	175.2	-66.2	-40.4	0	0	0	112.3	V105 Y224 Y226 Q318 C335 I337 T408 H409 F410	F80-V105 HydrophobicContact CD1-CG2 3.59Å; F80-V105 HydrophobicContact CD2-CG2 4.39Å; F80-V105 HydrophobicContact CE1-CG1 4.46Å; F80-V105 HydrophobicContact CE1-CG2 3.51Å; F80-V105 HydrophobicContact CE2-CG1 4.08Å; F80-V105 HydrophobicContact CE2-CG2 4.31Å; F80-V105 HydrophobicContact CG-CG2 4.06Å; F80-V105 HydrophobicContact CZ-CG1 3.98Å; F80-V105 HydrophobicContact CZ-CG2 3.89Å; F80-Y224 HydrophobicContact CB-CD1 3.76Å; F80-Y224 HydrophobicContact CB-CG 3.94Å; F80-Y224 HydrophobicContact CD2-CD2 4.41Å; F80-Y224 HydrophobicContact CD2-CG 4.21Å; F80-Y224 HydrophobicContact CG-CG 4.33Å; F80-Y226 AromaticContact CD1-CD2 3.7Å; F80-Y226 HydrophobicContact CD1-CD2 3.7Å; F80-Y226 HydrophobicContact CD1-CG 4.14Å; F80-Y226 AromaticContact CE1-CD2 3.84Å; F80-Y226 HydrophobicContact CE1-CD2 3.84Å; F80-Y226 HydrophobicContact CE1-CG 4.09Å; F80-Q318 HydrophobicContact CD2-CB 4.17Å; F80-Q318 HydrophobicContact CE2-CB 4Å; F80-C335 HydrophobicContact CD2-CB 4.35Å; F80-C335 HydrophobicContact CE2-CB 3.6Å; F80-C335 HydrophobicContact CZ-CB 3.72Å; F80-I337 HydrophobicContact CE1-CG2 3.79Å; F80-I337 HydrophobicContact CZ-CG2 4.16Å; F80-T408 PolarHBondContact N-O 3.22Å; F80-H409 VanDerWaalsContact O-CA 3.25Å; F80-H409 WeakPolarHBondContact O-CA 3.23Å; F80-F410 WeakPolarHBondContact O-CD2 3.19Å; F80-F410 PolarHBondContact O-N 3.43Å
81	L	97.3	Very high	95	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.9	174.6	-61.1	84.7	0	0	0	108.7	A83 L87 V88 L91 F102 Y224 L225 L231 F410	L81-A83 PolarHBondContact O-N 3.49Å; L81-L87 HydrophobicContact CD2-CD2 3.71Å; L81-L87 HydrophobicContact CD2-CG 3.98Å; L81-L87 HydrophobicContact CG-CD2 3.81Å; L81-V88 HydrophobicContact CB-CG2 4.06Å; L81-V88 HydrophobicContact CD2-CG2 4.2Å; L81-L91 HydrophobicContact CD2-CD1 3.58Å; L81-F102 HydrophobicContact CD1-CE1 4Å; L81-F102 HydrophobicContact CD2-CE1 3.72Å; L81-F102 HydrophobicContact CD2-CZ 4.14Å; L81-F102 HydrophobicContact CG-CE1 4.49Å; L81-Y224 CarbonylContact O-C 3.55Å; L81-Y224 WeakPolarHBondContact O-CA 3.42Å; L81-L225 HydrophobicContact CB-CB 4.22Å; L81-L225 WeakPolarHBondContact CD1-O 3.47Å; L81-L225 PolarHBondContact N-O 3.38Å; L81-L225 PolarHBondContact O-N 3.41Å; L81-L231 HydrophobicContact CD1-CD2 4.39Å; L81-F410 HydrophobicContact CD1-CD2 4.21Å; L81-F410 HydrophobicContact CD1-CE2 3.97Å; L81-F410 HydrophobicContact CG-CD2 3.91Å; L81-F410 HydrophobicContact CG-CE2 4.14Å
82	M	95.8	Very high	94.5	Very high	17 Å²	17	17.7 Å²	17.7	8%	0.084	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.8	168	-177.3	65.7	71.7	0	0	108.8	N84 G85 V88 L191 L211 Y212 S215 P223 Y224	M82-N84 VanDerWaalsContact C-N 3.3Å; M82-N84 PolarHBondContact O-N 2.96Å; M82-G85 WeakPolarHBondContact O-CA 3.46Å; M82-G85 PolarHBondContact O-N 3.21Å; M82-V88 VanDerWaalsContact O-CG2 3.28Å; M82-V88 WeakPolarHBondContact O-CG2 3.28Å; M82-L191 HydrophobicContact CE-CD1 3.4Å; M82-L211 HydrophobicContact CG-CD1 4.19Å; M82-L211 HydrophobicContact CG-CD2 4.07Å; M82-L211 HydrophobicContact CG-CG 3.9Å; M82-Y212 HydrophobicContact CE-CD2 4.16Å; M82-S215 WeakPolarHBondContact CG-OG 3.12Å; M82-S215 VanDerWaalsContact SD-CB 3.52Å; M82-S215 PolarHBondContact SD-OG 3.03Å; M82-S215 VanDerWaalsContact SD-OG 3.36Å; M82-P223 HydrophobicContact CE-CG 4.48Å; M82-P223 HydrophobicContact SD-CB 3.65Å; M82-P223 HydrophobicContact SD-CG 4.17Å; M82-Y224 HydrophobicContact CE-CE1 3.93Å
83	A	94.6	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-38.6	-170.9	0	0	0	0	0	114.7	L81 R218 Y219 P223 L225	L81-A83 PolarHBondContact O-N 3.49Å; A83-R218 PolarHBondContact O-NH1 2.88Å; A83-Y219 HydrophobicContact CB-CD2 3.59Å; A83-Y219 HydrophobicContact CB-CE2 3.39Å; A83-P223 WeakPolarHBondContact CB-O 3.34Å; A83-P223 PolarHBondContact N-O 3.02Å; A83-L225 HydrophobicContact CB-CD1 4.41Å; A83-L225 HydrophobicContact CB-CG 4.34Å
84	N	91.9	Very high	93.2	Very high	21 Å²	21	17 Å²	17	11%	0.112	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	10.8	174.9	-61.3	-1.9	0	0	0	112.3	M82 K89 L211 E214 S215 R218	M82-N84 VanDerWaalsContact C-N 3.3Å; M82-N84 PolarHBondContact O-N 2.96Å; N84-K89 WeakPolarHBondContact O-CE 3.35Å; N84-L211 HydrophobicContact CB-CD1 3.72Å; N84-L211 WeakPolarHBondContact O-CD1 3.33Å; N84-E214 VanDerWaalsContact ND2-C 3.31Å; N84-E214 WeakPolarHBondContact ND2-CB 3.44Å; N84-E214 PolarHBondContact ND2-O 3.37Å; N84-S215 WeakPolarHBondContact CB-OG 3.48Å; N84-S215 PolarHBondContact N-OG 3.21Å; N84-R218 PolarHBondContact OD1-NE 2.95Å; N84-R218 PolarHBondContact OD1-NH1 3.04Å; N84-R218 PolarHBondContact OD1-NH2 3.19Å; N84-R218 VanDerWaalsContact OD1-NH2 3.17Å
85	G	91.3	Very high	92.7	Very high	2 Å²	2	19.1 Å²	19.1	2%	0.021	9%	0.094	C	C	.	.	S	Bend	trans	-71.6	170.4	-175.1	0	0	0	0	0	113.6	M82 L87 V88 K89	M82-G85 WeakPolarHBondContact O-CA 3.46Å; M82-G85 PolarHBondContact O-N 3.21Å; G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 2.57Å; G85-V88 PolarHBondContact O-N 3Å; G85-K89 PolarHBondContact O-N 2.84Å
86	Q	90.3	Very high	92.3	Very high	42 Å²	42	19 Å²	19	20%	0.196	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-37.4	-176	-61.9	178.8	12.6	0	0	112.1	V88 K89 M90 C414 F431	Q86-V88 PolarHBondContact O-N 3.2Å; Q86-K89 WeakPolarHBondContact O-CB 3.46Å; Q86-K89 PolarHBondContact O-N 2.83Å; Q86-M90 WeakPolarHBondContact O-CG 3.44Å; Q86-M90 PolarHBondContact O-N 3.03Å; Q86-C414 HydrophobicContact CB-CB 4.12Å; Q86-F431 HydrophobicContact CB-CZ 4.28Å
87	L	91.9	Very high	91.9	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-57.9	-50.2	177.3	-173.8	52.6	0	0	0	111.7	L14 I18 L81 G85 K89 M90 L91 F410 C414	L14-L87 HydrophobicContact CD2-CD2 4.48Å; I18-L87 HydrophobicContact CD1-CD1 3.42Å; I18-L87 VanDerWaalsContact CD1-CD1 3.42Å; L81-L87 HydrophobicContact CD2-CD2 3.71Å; L81-L87 HydrophobicContact CD2-CG 3.98Å; L81-L87 HydrophobicContact CG-CD2 3.81Å; G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 2.57Å; L87-K89 PolarHBondContact O-N 3.22Å; L87-M90 WeakPolarHBondContact O-CA 3.35Å; L87-M90 WeakPolarHBondContact O-CB 3.45Å; L87-M90 PolarHBondContact O-N 2.83Å; L87-L91 HydrophobicContact CD1-CD2 4.36Å; L87-L91 HydrophobicContact CD1-CG 4.32Å; L87-L91 HydrophobicContact CG-CD1 4.34Å; L87-L91 HydrophobicContact CG-CG 4.35Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.07Å; L87-F410 HydrophobicContact CB-CB 4.44Å; L87-F410 HydrophobicContact CD2-CB 3.5Å; L87-F410 VanDerWaalsContact CD2-CB 3.5Å; L87-F410 HydrophobicContact CD2-CD1 4.08Å; L87-F410 HydrophobicContact CD2-CD2 3.38Å; L87-F410 HydrophobicContact CD2-CE2 4Å; L87-F410 HydrophobicContact CD2-CG 3.38Å; L87-C414 WeakPolarHBondContact CB-SG 2.95Å; L87-C414 PolarHBondContact N-SG 3.22Å; L87-C414 VanDerWaalsContact N-SG 3.42Å
88	V	92.4	Very high	91.5	Very high	17 Å²	17	27.8 Å²	27.8	10%	0.103	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-39.2	-179.9	176.3	0	0	0	0	110.6	L81 M82 G85 Q86 M90 L91 L92 L225	L81-V88 HydrophobicContact CB-CG2 4.06Å; L81-V88 HydrophobicContact CD2-CG2 4.2Å; M82-V88 VanDerWaalsContact O-CG2 3.28Å; M82-V88 WeakPolarHBondContact O-CG2 3.28Å; G85-V88 PolarHBondContact O-N 3Å; Q86-V88 PolarHBondContact O-N 3.2Å; V88-M90 VanDerWaalsContact C-N 3.35Å; V88-M90 PolarHBondContact O-N 3.19Å; V88-L91 PolarHBondContact O-N 2.81Å; V88-L92 HydrophobicContact CG1-CD1 4.08Å; V88-L92 HydrophobicContact CG1-CG 4.46Å; V88-L92 WeakPolarHBondContact O-CB 3.14Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 2.71Å; V88-L225 HydrophobicContact CG2-CD1 4.44Å
89	K	90.4	Very high	91.3	Very high	106 Å²	106	30.5 Å²	30.5	46%	0.461	14%	0.139	S	C	.	.	H	α-helix	trans	-62.7	-39.7	174.1	-63.5	176.4	-176	178.8	0	112.2	N84 G85 Q86 L87 Y93 F431	N84-K89 WeakPolarHBondContact O-CE 3.35Å; G85-K89 PolarHBondContact O-N 2.84Å; Q86-K89 WeakPolarHBondContact O-CB 3.46Å; Q86-K89 PolarHBondContact O-N 2.83Å; L87-K89 PolarHBondContact O-N 3.22Å; K89-Y93 WeakPolarHBondContact O-CB 3.5Å; K89-Y93 PolarHBondContact O-N 3.46Å; K89-F431 HydrophobicContact CB-CD1 3.65Å; K89-F431 HydrophobicContact CB-CE1 3.43Å; K89-F431 VanDerWaalsContact CB-CE1 3.43Å; K89-F431 HydrophobicContact CB-CG 4.46Å; K89-F431 HydrophobicContact CB-CZ 4.11Å
90	M	89.5	Confident	91.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.8	-44.1	175.7	-66.6	175.9	-175.5	0	0	111.2	I18 Q86 L87 V88 L92 Y93 T94 I417 K418 F429 F431	I18-M90 HydrophobicContact CG2-SD 4.2Å; Q86-M90 WeakPolarHBondContact O-CG 3.44Å; Q86-M90 PolarHBondContact O-N 3.03Å; L87-M90 WeakPolarHBondContact O-CA 3.35Å; L87-M90 WeakPolarHBondContact O-CB 3.45Å; L87-M90 PolarHBondContact O-N 2.83Å; V88-M90 VanDerWaalsContact C-N 3.35Å; V88-M90 PolarHBondContact O-N 3.19Å; M90-L92 VanDerWaalsContact C-N 3.33Å; M90-L92 PolarHBondContact O-N 3.15Å; M90-Y93 PolarHBondContact O-N 3.47Å; M90-T94 WeakPolarHBondContact O-CG2 3.47Å; M90-T94 PolarHBondContact O-N 2.84Å; M90-T94 PolarHBondContact O-OG1 3.24Å; M90-I417 HydrophobicContact CE-CB 4.43Å; M90-I417 HydrophobicContact CE-CG2 3.98Å; M90-I417 HydrophobicContact SD-CB 4.49Å; M90-I417 HydrophobicContact SD-CD1 4.47Å; M90-I417 HydrophobicContact SD-CG2 3.82Å; M90-K418 HydrophobicContact CE-CD 3.99Å; M90-K418 HydrophobicContact CE-CG 3.54Å; M90-F429 HydrophobicContact CG-CE1 4.15Å; M90-F429 HydrophobicContact CG-CZ 4.22Å; M90-F431 HydrophobicContact CB-CE1 4.39Å; M90-F431 HydrophobicContact CE-CZ 4.03Å; M90-F431 HydrophobicContact CG-CE1 3.57Å; M90-F431 HydrophobicContact CG-CZ 3.79Å
91	L	90.8	Very high	91	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-39.8	178.3	-60.9	179.5	0	0	0	112.2	L81 L87 V88 T94 E95 V96 T97 F102 L234 F238	L81-L91 HydrophobicContact CD2-CD1 3.58Å; L87-L91 HydrophobicContact CD1-CD2 4.36Å; L87-L91 HydrophobicContact CD1-CG 4.32Å; L87-L91 HydrophobicContact CG-CD1 4.34Å; L87-L91 HydrophobicContact CG-CG 4.35Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.07Å; V88-L91 PolarHBondContact O-N 2.81Å; L91-T94 PolarHBondContact O-OG1 3.01Å; L91-E95 PolarHBondContact O-N 2.55Å; L91-V96 HydrophobicContact CB-CG1 3.89Å; L91-V96 HydrophobicContact CD2-CG1 3.55Å; L91-V96 HydrophobicContact CG-CG1 4.29Å; L91-V96 PolarHBondContact O-N 3.08Å; L91-T97 HydrophobicContact CB-CG2 3.75Å; L91-F102 HydrophobicContact CD1-CE2 4.4Å; L91-F102 HydrophobicContact CD1-CZ 3.73Å; L91-L234 HydrophobicContact CD1-CD2 3.92Å; L91-L234 HydrophobicContact CD2-CD2 3.85Å; L91-F238 HydrophobicContact CD2-CE2 3.57Å; L91-F238 HydrophobicContact CD2-CZ 3.65Å
92	L	88.7	Confident	91	Very high	95 Å²	95	39.5 Å²	39.5	50%	0.497	18%	0.184	S	C	.	.	H	α-helix	trans	-65.3	-44.6	175.1	-74.1	168.6	0	0	0	111.1	V88 M90 T94 E95 T97	V88-L92 HydrophobicContact CG1-CD1 4.08Å; V88-L92 HydrophobicContact CG1-CG 4.46Å; V88-L92 WeakPolarHBondContact O-CB 3.14Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 2.71Å; M90-L92 VanDerWaalsContact C-N 3.33Å; M90-L92 PolarHBondContact O-N 3.15Å; L92-T94 VanDerWaalsContact C-N 3.34Å; L92-T94 PolarHBondContact O-N 2.67Å; L92-E95 PolarHBondContact O-N 3.3Å; L92-T97 HydrophobicContact CD2-CG2 4.08Å; L92-T97 HydrophobicContact CG-CG2 4.36Å
93	Y	85	Confident	91.1	Very high	14 Å²	14	42.2 Å²	42.2	6%	0.055	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-44.5	178	167.5	-116	0	0	0	112.2	V25 N26 K89 M90 E95 F429 M434 Q438	V25-Y93 HydrophobicContact CG1-CE1 4.38Å; V25-Y93 HydrophobicContact CG1-CE2 4.44Å; N26-Y93 PolarHBondContact OD1-OH 3.04Å; K89-Y93 WeakPolarHBondContact O-CB 3.5Å; K89-Y93 PolarHBondContact O-N 3.46Å; M90-Y93 PolarHBondContact O-N 3.47Å; Y93-E95 PolarHBondContact O-N 3.06Å; Y93-F429 HydrophobicContact CD1-CZ 4.26Å; Y93-M434 HydrophobicContact CD1-SD 3.98Å; Y93-M434 HydrophobicContact CD2-CB 3.81Å; Y93-M434 HydrophobicContact CE1-CB 4.3Å; Y93-M434 HydrophobicContact CE1-CG 4.19Å; Y93-M434 HydrophobicContact CE1-SD 3.43Å; Y93-M434 WeakPolarHBondContact CE1-SD 3.35Å; Y93-M434 HydrophobicContact CE2-CB 3.42Å; Y93-M434 VanDerWaalsContact CE2-CB 3.42Å; Y93-M434 HydrophobicContact CE2-CG 4.05Å; Y93-M434 WeakPolarHBondContact CE2-O 3.44Å; Y93-M434 HydrophobicContact CE2-SD 4.31Å; Y93-M434 HydrophobicContact CG-CB 4.42Å; Y93-Q438 PolarHBondContact O-NE2 3Å
94	T	85.4	Confident	91.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.9	178.5	64.8	0	0	0	0	113.2	I22 M90 L91 L92 V96 F238 L241	I22-T94 HydrophobicContact CG1-CG2 3.9Å; M90-T94 WeakPolarHBondContact O-CG2 3.47Å; M90-T94 PolarHBondContact O-N 2.84Å; M90-T94 PolarHBondContact O-OG1 3.24Å; L91-T94 PolarHBondContact O-OG1 3.01Å; L92-T94 VanDerWaalsContact C-N 3.34Å; L92-T94 PolarHBondContact O-N 2.67Å; T94-V96 PolarHBondContact O-N 3.41Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.3Å; T94-F238 HydrophobicContact CG2-CE1 4.09Å; T94-F238 WeakPolarHBondContact OG1-CE1 3.46Å; T94-L241 WeakPolarHBondContact O-CD1 3.09Å; T94-L241 WeakPolarHBondContact O-CD2 3.33Å
95	E	87.8	Confident	91.5	Very high	47 Å²	47	42.7 Å²	42.7	22%	0.22	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	15	-174.7	-48	-164.2	125.6	0	0	115.4	L91 L92 Y93 T97 R98 Q438	L91-E95 PolarHBondContact O-N 2.55Å; L92-E95 PolarHBondContact O-N 3.3Å; Y93-E95 PolarHBondContact O-N 3.06Å; E95-T97 PolarHBondContact O-N 3.4Å; E95-T97 VanDerWaalsContact O-N 3.17Å; E95-R98 VanDerWaalsContact CD-CZ 3.47Å; E95-R98 WeakPolarHBondContact O-CB 3.39Å; E95-R98 WeakPolarHBondContact O-CG 3.4Å; E95-R98 PolarHBondContact O-N 3.1Å; E95-R98 VanDerWaalsContact O-N 3.12Å; E95-R98 IonicContact OE1-CZ 2.77Å; E95-R98 IonicContact OE1-NE 2.74Å; E95-R98 IonicContact OE1-NH2 3.19Å; E95-R98 PolarHBondContact OE1-NH2 3.36Å; E95-R98 IonicContact OE2-CZ 3.64Å; E95-R98 IonicContact OE2-NE 2.95Å; E95-R98 IonicContact OE2-NH1 3.38Å; E95-R98 PolarHBondContact OE2-NH1 3.44Å; E95-R98 IonicContact OE2-NH2 3.41Å; E95-R98 PolarHBondContact OE2-NH2 3Å; E95-Q438 VanDerWaalsContact CD-NE2 3.32Å
96	V	90.1	Very high	91.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-67.1	-19.7	-179.1	74.5	0	0	0	0	111.4	L91 T94 R98 Y99 L100 G237 F238 L241	L91-V96 HydrophobicContact CB-CG1 3.89Å; L91-V96 HydrophobicContact CD2-CG1 3.55Å; L91-V96 HydrophobicContact CG-CG1 4.29Å; L91-V96 PolarHBondContact O-N 3.08Å; T94-V96 PolarHBondContact O-N 3.41Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.3Å; V96-R98 PolarHBondContact O-N 3.36Å; V96-Y99 HydrophobicContact CG2-CD2 4.14Å; V96-Y99 PolarHBondContact O-N 3Å; V96-L100 HydrophobicContact CG1-CD1 4.1Å; V96-L100 HydrophobicContact CG2-CD1 4.38Å; V96-G237 WeakPolarHBondContact CG2-O 3.39Å; V96-F238 HydrophobicContact CB-CE1 4.31Å; V96-F238 HydrophobicContact CB-CZ 4.34Å; V96-F238 HydrophobicContact CG1-CE1 4.19Å; V96-F238 HydrophobicContact CG1-CE2 4.02Å; V96-F238 HydrophobicContact CG1-CZ 3.75Å; V96-F238 HydrophobicContact CG2-CD1 4.4Å; V96-F238 HydrophobicContact CG2-CD2 4.36Å; V96-F238 HydrophobicContact CG2-CE2 4.49Å; V96-F238 HydrophobicContact CG2-CG 4.31Å; V96-L241 HydrophobicContact CB-CD2 4.49Å
97	T	90.2	Very high	92	Very high	42 Å²	42	42.9 Å²	42.9	26%	0.258	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-57.3	-19	172.9	54.1	0	0	0	0	113.3	L91 L92 E95 Y99 L100 F102	L91-T97 HydrophobicContact CB-CG2 3.75Å; L92-T97 HydrophobicContact CD2-CG2 4.08Å; L92-T97 HydrophobicContact CG-CG2 4.36Å; E95-T97 PolarHBondContact O-N 3.4Å; E95-T97 VanDerWaalsContact O-N 3.17Å; T97-Y99 PolarHBondContact O-N 3.06Å; T97-L100 PolarHBondContact O-N 3.28Å; T97-F102 HydrophobicContact CG2-CE2 4.38Å
98	R	89.7	Confident	92.3	Very high	169 Å²	169	42.9 Å²	42.9	64%	0.638	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-63.6	-15.9	172.2	-65	175.4	-178.8	-170.1	1.6	113.3	E95 V96	E95-R98 VanDerWaalsContact CD-CZ 3.47Å; E95-R98 WeakPolarHBondContact O-CB 3.39Å; E95-R98 WeakPolarHBondContact O-CG 3.4Å; E95-R98 PolarHBondContact O-N 3.1Å; E95-R98 VanDerWaalsContact O-N 3.12Å; E95-R98 IonicContact OE1-CZ 2.77Å; E95-R98 IonicContact OE1-NE 2.74Å; E95-R98 IonicContact OE1-NH2 3.19Å; E95-R98 PolarHBondContact OE1-NH2 3.36Å; E95-R98 IonicContact OE2-CZ 3.64Å; E95-R98 IonicContact OE2-NE 2.95Å; E95-R98 IonicContact OE2-NH1 3.38Å; E95-R98 PolarHBondContact OE2-NH1 3.44Å; E95-R98 IonicContact OE2-NH2 3.41Å; E95-R98 PolarHBondContact OE2-NH2 3Å; V96-R98 PolarHBondContact O-N 3.36Å
99	Y	89.2	Confident	92.5	Very high	62 Å²	62	42.8 Å²	42.8	24%	0.243	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-112.5	4	-178.8	-47.6	-51.6	0	0	0	113.1	V96 T97 R240 I244	V96-Y99 HydrophobicContact CG2-CD2 4.14Å; V96-Y99 PolarHBondContact O-N 3Å; T97-Y99 PolarHBondContact O-N 3.06Å; Y99-R240 VanDerWaalsContact CE1-CZ 3.42Å; Y99-R240 HydrophobicContact CE2-CG 4.22Å; Y99-I244 WeakPolarHBondContact OH-CD1 3.41Å
100	L	93.8	Very high	92.9	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.063	18%	0.178	C	C	.	.			trans	-130.4	126	-169.8	-60.3	170.7	0	0	0	110.1	V96 T97 F102 E233 L234	V96-L100 HydrophobicContact CG1-CD1 4.1Å; V96-L100 HydrophobicContact CG2-CD1 4.38Å; T97-L100 PolarHBondContact O-N 3.28Å; L100-F102 HydrophobicContact CB-CD2 4.26Å; L100-F102 HydrophobicContact CB-CE2 3.58Å; L100-F102 HydrophobicContact CB-CZ 4Å; L100-F102 HydrophobicContact CD1-CE2 4.04Å; L100-F102 HydrophobicContact CD1-CZ 3.86Å; L100-F102 HydrophobicContact CG-CE2 4.48Å; L100-E233 HydrophobicContact CD2-CB 3.67Å; L100-E233 WeakPolarHBondContact CD2-O 3.43Å; L100-L234 HydrophobicContact CD1-CD2 3.56Å; L100-L234 HydrophobicContact CD1-CG 4.48Å
101	D	95.9	Very high	93.2	Very high	117 Å²	117	39 Å²	39	63%	0.626	18%	0.182	S	C	*	.			trans	-98	119	170.1	-73.5	-49.9	0	0	0	109.6	P227 L228	D101-P227 CarbonylContact O-C 3.46Å; D101-P227 WeakPolarHBondContact O-CA 3.29Å; D101-L228 HydrophobicContact CB-CB 4.35Å; D101-L228 HydrophobicContact CB-CD1 3.79Å; D101-L228 HydrophobicContact CB-CG 4.13Å; D101-L228 PolarHBondContact O-N 3.25Å
102	F	96.5	Very high	93.4	Very high	60 Å²	60	40.9 Å²	40.9	26%	0.263	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.8	177.5	-69.3	-82.6	0	0	0	111.5	L81 L91 T97 L100 L225 P227 L234	L81-F102 HydrophobicContact CD1-CE1 4Å; L81-F102 HydrophobicContact CD2-CE1 3.72Å; L81-F102 HydrophobicContact CD2-CZ 4.14Å; L81-F102 HydrophobicContact CG-CE1 4.49Å; L91-F102 HydrophobicContact CD1-CE2 4.4Å; L91-F102 HydrophobicContact CD1-CZ 3.73Å; T97-F102 HydrophobicContact CG2-CE2 4.38Å; L100-F102 HydrophobicContact CB-CD2 4.26Å; L100-F102 HydrophobicContact CB-CE2 3.58Å; L100-F102 HydrophobicContact CB-CZ 4Å; L100-F102 HydrophobicContact CD1-CE2 4.04Å; L100-F102 HydrophobicContact CD1-CZ 3.86Å; L100-F102 HydrophobicContact CG-CE2 4.48Å; F102-L225 HydrophobicContact CB-CB 4.42Å; F102-L225 HydrophobicContact CB-CD1 4.46Å; F102-L225 HydrophobicContact CD1-CB 4.23Å; F102-P227 HydrophobicContact CD1-CB 4.24Å; F102-P227 HydrophobicContact CE1-CB 4.05Å; F102-P227 HydrophobicContact CE1-CG 4.45Å; F102-L234 HydrophobicContact CZ-CD2 4.44Å
103	K	97.4	Very high	93.5	Very high	74 Å²	74	39.4 Å²	39.4	32%	0.322	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.4	170.4	-172.5	177.5	178.3	74.8	0	110	L225 Y226 L228 A340	K103-L225 WeakPolarHBondContact O-CA 3.35Å; K103-Y226 PolarHBondContact N-O 3.25Å; K103-Y226 PolarHBondContact O-N 3.18Å; K103-L228 HydrophobicContact CB-CD2 3.91Å; K103-L228 HydrophobicContact CD-CD2 4.09Å; K103-A340 WeakPolarHBondContact CD-O 3.32Å; K103-A340 WeakPolarHBondContact CE-O 3.39Å
104	V	97.6	Very high	93.8	Very high	32 Å²	32	40.8 Å²	40.8	19%	0.194	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130	175.7	-177.6	0	0	0	0	109.3	Y219 K221 L225	V104-Y219 HydrophobicContact CG1-CG 4.4Å; V104-Y219 HydrophobicContact CG2-CD1 3.49Å; V104-Y219 VanDerWaalsContact CG2-CD1 3.49Å; V104-Y219 HydrophobicContact CG2-CD2 4.28Å; V104-Y219 HydrophobicContact CG2-CE1 4.18Å; V104-Y219 HydrophobicContact CG2-CG 3.56Å; V104-K221 HydrophobicContact CG1-CB 4.11Å; V104-L225 HydrophobicContact CB-CD2 4.43Å; V104-L225 HydrophobicContact CG2-CD2 3.82Å
105	V	98.1	Very high	94.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.			trans	-68.7	137.1	172.8	176.3	0	0	0	0	109.2	F80 S222 Y224 S316	F80-V105 HydrophobicContact CD1-CG2 3.59Å; F80-V105 HydrophobicContact CD2-CG2 4.39Å; F80-V105 HydrophobicContact CE1-CG1 4.46Å; F80-V105 HydrophobicContact CE1-CG2 3.51Å; F80-V105 HydrophobicContact CE2-CG1 4.08Å; F80-V105 HydrophobicContact CE2-CG2 4.31Å; F80-V105 HydrophobicContact CG-CG2 4.06Å; F80-V105 HydrophobicContact CZ-CG1 3.98Å; F80-V105 HydrophobicContact CZ-CG2 3.89Å; V105-S222 WeakPolarHBondContact CB-OG 3.36Å; V105-S222 VanDerWaalsContact O-CB 3.23Å; V105-S222 WeakPolarHBondContact O-CB 3.36Å; V105-S222 PolarHBondContact O-OG 3.5Å; V105-Y224 PolarHBondContact N-O 2.74Å; V105-S316 WeakPolarHBondContact CA-OG 3.37Å
106	E	97	Very high	94.7	Very high	45 Å²	45	44.9 Å²	44.9	21%	0.21	23%	0.234	C	C	.	.	S	Bend	trans	-80.4	-22.6	-165.3	-57	-155.4	125.8	0	0	114.8	K221 A314 N315 S316	E106-K221 HydrophobicContact CB-CD 4.37Å; E106-K221 HydrophobicContact CG-CD 4.34Å; E106-K221 IonicContact OE1-NZ 2.77Å; E106-K221 PolarHBondContact OE1-NZ 3.41Å; E106-A314 HydrophobicContact CB-CB 4.19Å; E106-N315 WeakPolarHBondContact OE2-CB 3.34Å; E106-N315 PolarHBondContact OE2-N 3.19Å; E106-N315 PolarHBondContact OE2-ND2 2.81Å; E106-S316 WeakPolarHBondContact CB-O 3.33Å; E106-S316 PolarHBondContact N-O 3.25Å; E106-S316 VanDerWaalsContact N-O 3.13Å; E106-S316 PolarHBondContact N-OG 3.48Å
107	G	95	Very high	95	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.1	-179.1	0	0	0	0	0	114.7	S316 C317 Q318	G107-S316 PolarHBondContact N-O 3.44Å; G107-C317 CarbonylContact O-C 3.48Å; G107-C317 WeakPolarHBondContact O-CA 3.42Å; G107-C317 WeakPolarHBondContact O-CB 3.42Å; G107-Q318 PolarHBondContact O-N 3.13Å
108	S	97.1	Very high	95.2	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.028	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.9	169.6	-178.4	0	0	0	0	108.3	K118 V119 Y212 Q318	S108-K118 WeakPolarHBondContact O-CA 3.31Å; S108-V119 PolarHBondContact O-N 3.22Å; S108-Y212 VanDerWaalsContact CB-OH 3.27Å; S108-Y212 WeakPolarHBondContact CB-OH 3.27Å; S108-Y212 PolarHBondContact OG-OH 2.83Å; S108-Q318 CarbonylContact C-O 3.27Å; S108-Q318 WeakPolarHBondContact CA-O 3.34Å
109	F	97.6	Very high	95.4	Very high	15 Å²	15	42.4 Å²	42.4	7%	0.066	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.6	-173.1	-56	-91	0	0	0	110.6	I116 Y117 K118 T311 C317 Q318 I319 I320	F109-I116 HydrophobicContact CB-CB 4.29Å; F109-I116 HydrophobicContact CD1-CD1 4.49Å; F109-I116 HydrophobicContact CG-CD1 4.44Å; F109-Y117 CarbonylContact C-O 3.59Å; F109-Y117 WeakPolarHBondContact CA-O 3.06Å; F109-K118 HydrophobicContact CD1-CB 4.4Å; F109-K118 HydrophobicContact CE1-CB 4.35Å; F109-T311 HydrophobicContact CD2-CG2 4.15Å; F109-T311 HydrophobicContact CE1-CG2 4.39Å; F109-T311 HydrophobicContact CE2-CG2 3.79Å; F109-T311 HydrophobicContact CZ-CG2 3.95Å; F109-C317 HydrophobicContact CD2-CB 3.75Å; F109-C317 HydrophobicContact CE2-CB 3.55Å; F109-Q318 PolarHBondContact N-O 3.32Å; F109-I319 HydrophobicContact CB-CG1 4.23Å; F109-I319 HydrophobicContact CB-CG2 4.48Å; F109-I319 HydrophobicContact CD2-CG1 4.48Å; F109-I319 WeakPolarHBondContact O-CA 3.43Å; F109-I320 PolarHBondContact O-N 3.2Å
110	V	97.7	Very high	95.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.9	173.7	63.7	0	0	0	0	109.4	I116 Y117 V119 L131 F184 A188 I320 P322	V110-I116 WeakPolarHBondContact O-CA 3.45Å; V110-Y117 PolarHBondContact N-O 2.82Å; V110-Y117 PolarHBondContact O-N 3.48Å; V110-V119 HydrophobicContact CB-CG2 4.01Å; V110-V119 HydrophobicContact CG1-CG2 4.11Å; V110-L131 HydrophobicContact CG1-CD1 3.64Å; V110-L131 HydrophobicContact CG1-CD2 4.04Å; V110-L131 HydrophobicContact CG1-CG 4.48Å; V110-F184 HydrophobicContact CB-CB 4.4Å; V110-F184 HydrophobicContact CG1-CB 3.99Å; V110-F184 HydrophobicContact CG2-CB 3.86Å; V110-A188 HydrophobicContact CB-CB 3.98Å; V110-A188 HydrophobicContact CG2-CB 4.01Å; V110-I320 CarbonylContact C-O 3.53Å; V110-I320 WeakPolarHBondContact CA-O 3.36Å; V110-P322 HydrophobicContact CG2-CG 3.81Å
111	Y	97.3	Very high	94.7	Very high	25 Å²	25	39.3 Å²	39.3	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.4	176	-177.5	-83.4	0	0	0	111	G114 K115 I116 I320 I321 Q325 V326 L372	Y111-G114 VanDerWaalsContact CZ-CA 3.43Å; Y111-G114 VanDerWaalsContact CZ-N 3.35Å; Y111-G114 WeakPolarHBondContact OH-CA 3.46Å; Y111-G114 PolarHBondContact OH-N 3.3Å; Y111-K115 CarbonylContact C-O 3.57Å; Y111-K115 WeakPolarHBondContact CA-O 3.22Å; Y111-I116 HydrophobicContact CD2-CG2 4.25Å; Y111-I320 PolarHBondContact N-O 3Å; Y111-I321 HydrophobicContact CD1-CG2 3.91Å; Y111-I321 HydrophobicContact CD2-CD1 4.49Å; Y111-I321 HydrophobicContact CE1-CG2 4.5Å; Y111-I321 HydrophobicContact CG-CG1 4.32Å; Y111-I321 HydrophobicContact CG-CG2 3.96Å; Y111-Q325 HydrophobicContact CD1-CB 3.92Å; Y111-Q325 HydrophobicContact CE1-CB 4.24Å; Y111-V326 HydrophobicContact CE1-CG1 4.32Å; Y111-L372 HydrophobicContact CD2-CD1 4.11Å; Y111-L372 HydrophobicContact CD2-CD2 4.42Å; Y111-L372 HydrophobicContact CE2-CD2 4.37Å
112	K	94.3	Very high	93.9	Very high	40 Å²	40	36.7 Å²	36.7	17%	0.174	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	122.6	172.3	179.7	176.1	177.1	168	0	109.6	G114 K115 Y117 L131 D180	K112-G114 PolarHBondContact O-N 3.43Å; K112-K115 PolarHBondContact N-O 2.91Å; K112-K115 PolarHBondContact O-N 3.46Å; K112-Y117 HydrophobicContact CB-CD2 4.19Å; K112-Y117 HydrophobicContact CB-CE2 4.09Å; K112-L131 HydrophobicContact CB-CD2 3.93Å; K112-L131 HydrophobicContact CD-CD2 3.85Å; K112-L131 PolarHBondContact NZ-O 2.88Å; K112-D180 HydrophobicContact CD-CB 4.42Å; K112-D180 VanDerWaalsContact CE-CG 3.44Å; K112-D180 WeakPolarHBondContact CE-OD2 3.44Å; K112-D180 VanDerWaalsContact NZ-CG 3.28Å; K112-D180 IonicContact NZ-OD2 2.76Å; K112-D180 PolarHBondContact NZ-OD2 3.45Å
113	G	90.4	Very high	93.4	Very high	64 Å²	64	37.6 Å²	37.6	66%	0.66	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	50.3	173.7	0	0	0	0	0	115
114	G	92.6	Very high	92.8	Very high	43 Å²	43	39.5 Å²	39.5	44%	0.443	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-2.7	177	0	0	0	0	0	115.9	Y111 K112	Y111-G114 VanDerWaalsContact CZ-CA 3.43Å; Y111-G114 VanDerWaalsContact CZ-N 3.35Å; Y111-G114 WeakPolarHBondContact OH-CA 3.46Å; Y111-G114 PolarHBondContact OH-N 3.3Å; K112-G114 PolarHBondContact O-N 3.43Å
115	K	94.6	Very high	92.3	Very high	125 Å²	125	39.7 Å²	39.7	54%	0.543	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.1	-174.8	-64.4	179.4	-175.4	176.5	0	111.4	Y111 K112 Y117	Y111-K115 CarbonylContact C-O 3.57Å; Y111-K115 WeakPolarHBondContact CA-O 3.22Å; K112-K115 PolarHBondContact N-O 2.91Å; K112-K115 PolarHBondContact O-N 3.46Å; K115-Y117 HydrophobicContact CB-CE2 3.68Å
116	I	97	Very high	91.7	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	145.5	172	64.5	173.3	0	0	0	111	F109 V110 Y111 I308 K309 N310 T311 I319 L372	F109-I116 HydrophobicContact CB-CB 4.29Å; F109-I116 HydrophobicContact CD1-CD1 4.49Å; F109-I116 HydrophobicContact CG-CD1 4.44Å; V110-I116 WeakPolarHBondContact O-CA 3.45Å; Y111-I116 HydrophobicContact CD2-CG2 4.25Å; I116-I308 HydrophobicContact CD1-CG2 4.31Å; I116-K309 WeakPolarHBondContact CD1-O 3.39Å; I116-N310 HydrophobicContact CD1-CB 4.41Å; I116-N310 HydrophobicContact CG1-CB 4.01Å; I116-T311 HydrophobicContact CD1-CG2 3.69Å; I116-I319 HydrophobicContact CD1-CD1 4.05Å; I116-I319 HydrophobicContact CG2-CG2 3.75Å; I116-L372 HydrophobicContact CG2-CD1 3.73Å; I116-L372 HydrophobicContact CG2-CD2 4.1Å
117	Y	95.8	Very high	91.2	Very high	62 Å²	62	41.6 Å²	41.6	24%	0.243	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.8	179.3	-59.7	-95.6	0	0	0	109.8	F109 V110 K112 K115 V119 N130 L131	F109-Y117 CarbonylContact C-O 3.59Å; F109-Y117 WeakPolarHBondContact CA-O 3.06Å; V110-Y117 PolarHBondContact N-O 2.82Å; V110-Y117 PolarHBondContact O-N 3.48Å; K112-Y117 HydrophobicContact CB-CD2 4.19Å; K112-Y117 HydrophobicContact CB-CE2 4.09Å; K115-Y117 HydrophobicContact CB-CE2 3.68Å; Y117-V119 PolarHBondContact O-N 3.05Å; Y117-N130 HydrophobicContact CD1-CB 3.99Å; Y117-N130 HydrophobicContact CE1-CB 3.91Å; Y117-L131 HydrophobicContact CD1-CD2 4.39Å; Y117-L131 HydrophobicContact CD1-CG 4.44Å; Y117-L131 HydrophobicContact CD2-CD2 3.45Å; Y117-L131 VanDerWaalsContact CD2-CD2 3.45Å; Y117-L131 HydrophobicContact CD2-CG 4.29Å; Y117-L131 HydrophobicContact CE2-CD2 4.24Å; Y117-L131 HydrophobicContact CG-CD2 3.54Å; Y117-L131 HydrophobicContact CG-CG 3.87Å
118	K	95.1	Very high	90.9	Very high	95 Å²	95	44.8 Å²	44.8	41%	0.413	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	132.7	173.2	-166.9	-173.8	-175.6	-164.1	0	109.7	S108 F109 P120 E125	S108-K118 WeakPolarHBondContact O-CA 3.31Å; F109-K118 HydrophobicContact CD1-CB 4.4Å; F109-K118 HydrophobicContact CE1-CB 4.35Å; K118-P120 WeakPolarHBondContact O-CD 3.27Å; K118-E125 IonicContact NZ-OE1 2.81Å; K118-E125 PolarHBondContact NZ-OE1 3.28Å
119	V	94.1	Very high	90.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-67	121.8	175.9	179.7	0	0	0	0	109.1	S108 V110 Y117 A188 L189	S108-V119 PolarHBondContact O-N 3.22Å; V110-V119 HydrophobicContact CB-CG2 4.01Å; V110-V119 HydrophobicContact CG1-CG2 4.11Å; Y117-V119 PolarHBondContact O-N 3.05Å; V119-A188 HydrophobicContact CG1-CB 4.32Å; V119-A188 HydrophobicContact CG2-CB 3.83Å; V119-L189 HydrophobicContact CG1-CD2 3.53Å; V119-L189 HydrophobicContact CG1-CG 3.91Å
120	P	88.4	Confident	90.2	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.013	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-83.9	124.2	177.3	30.6	-30.3	0	0	0	110.8	K118 E125 A126 L131 M132 F140 F184	K118-P120 WeakPolarHBondContact O-CD 3.27Å; P120-E125 HydrophobicContact CB-CB 4.13Å; P120-A126 HydrophobicContact CB-CB 4.44Å; P120-L131 HydrophobicContact CG-CD1 4.28Å; P120-M132 HydrophobicContact CG-CE 4.03Å; P120-F140 HydrophobicContact CB-CE1 4.45Å; P120-F140 HydrophobicContact CG-CE1 4.01Å; P120-F184 HydrophobicContact CG-CE2 4.03Å; P120-F184 HydrophobicContact CG-CZ 4.28Å
121	S	78.8	Confident	89.8	Confident	7 Å²	7	50.9 Å²	50.9	5%	0.049	29%	0.293	C	S	.	.			trans	-131.3	-2.9	-173.5	27.6	0	0	0	0	113.9	E125 S213 L216	S121-E125 PolarHBondContact N-OE2 2.95Å; S121-E125 PolarHBondContact OG-OE2 2.95Å; S121-E125 VanDerWaalsContact OG-OE2 3.11Å; S121-S213 PolarHBondContact O-OG 3.32Å; S121-L216 WeakPolarHBondContact OG-CD2 3.36Å
122	T	80.6	Confident	89.5	Confident	61 Å²	61	50.3 Å²	50.3	37%	0.374	29%	0.291	S	S	.	.	S	Bend	trans	-124.6	162	172.2	64.5	0	0	0	0	110.3	T124 E125 A126 L216	T122-T124 VanDerWaalsContact C-N 3.26Å; T122-T124 PolarHBondContact O-N 3.04Å; T122-E125 PolarHBondContact N-OE2 2.91Å; T122-E125 PolarHBondContact O-N 3Å; T122-E125 WeakPolarHBondContact OG1-CB 3.45Å; T122-E125 VanDerWaalsContact OG1-CG 3.26Å; T122-E125 WeakPolarHBondContact OG1-CG 3.3Å; T122-E125 PolarHBondContact OG1-N 3.38Å; T122-E125 PolarHBondContact OG1-OE2 2.98Å; T122-A126 WeakPolarHBondContact O-CB 3.21Å; T122-A126 PolarHBondContact O-N 3.2Å; T122-L216 HydrophobicContact CG2-CD2 4.42Å
123	E	84.7	Confident	89.4	Confident	80 Å²	80	50.5 Å²	50.5	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-56.3	-41.9	175.9	-63.5	-175.7	-134.5	0	0	112.5	A126 L127 R141 V145	E123-A126 PolarHBondContact O-N 3.32Å; E123-L127 WeakPolarHBondContact O-CG 3.25Å; E123-L127 PolarHBondContact O-N 2.92Å; E123-L127 VanDerWaalsContact O-N 3.13Å; E123-R141 HydrophobicContact CB-CG 4.11Å; E123-R141 HydrophobicContact CG-CG 4.04Å; E123-R141 IonicContact OE2-CZ 3.8Å; E123-R141 IonicContact OE2-NE 3.26Å; E123-R141 PolarHBondContact OE2-NE 3.23Å; E123-R141 IonicContact OE2-NH2 3.44Å; E123-R141 PolarHBondContact OE2-NH2 3.31Å; E123-V145 HydrophobicContact CG-CG2 3.99Å
124	T	84.9	Confident	89.3	Confident	113 Å²	113	53.8 Å²	53.8	69%	0.693	31%	0.305	S	S	*	.	H	α-helix	trans	-64.7	-45.4	179.6	-54.8	0	0	0	0	111.2	T122 L127 A128	T122-T124 VanDerWaalsContact C-N 3.26Å; T122-T124 PolarHBondContact O-N 3.04Å; T124-L127 PolarHBondContact O-N 3.44Å; T124-A128 WeakPolarHBondContact O-CB 3.2Å; T124-A128 PolarHBondContact O-N 3.31Å; T124-A128 VanDerWaalsContact O-N 3.13Å
125	E	86.7	Confident	89.2	Confident	37 Å²	37	58.8 Å²	58.8	17%	0.173	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-38.5	177.2	-70.6	176.9	147.5	0	0	112.1	K118 P120 S121 T122 L127 A128 S129	K118-E125 IonicContact NZ-OE1 2.81Å; K118-E125 PolarHBondContact NZ-OE1 3.28Å; P120-E125 HydrophobicContact CB-CB 4.13Å; S121-E125 PolarHBondContact N-OE2 2.95Å; S121-E125 PolarHBondContact OG-OE2 2.95Å; S121-E125 VanDerWaalsContact OG-OE2 3.11Å; T122-E125 PolarHBondContact N-OE2 2.91Å; T122-E125 PolarHBondContact O-N 3Å; T122-E125 WeakPolarHBondContact OG1-CB 3.45Å; T122-E125 VanDerWaalsContact OG1-CG 3.26Å; T122-E125 WeakPolarHBondContact OG1-CG 3.3Å; T122-E125 PolarHBondContact OG1-N 3.38Å; T122-E125 PolarHBondContact OG1-OE2 2.98Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 3.04Å; E125-A128 CarbonylContact O-C 3.59Å; E125-A128 PolarHBondContact O-N 2.79Å; E125-S129 VanDerWaalsContact O-CB 3.29Å; E125-S129 WeakPolarHBondContact O-CB 3.47Å; E125-S129 PolarHBondContact O-N 3.09Å
126	A	86.2	Confident	89.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-41.9	176.5	0	0	0	0	0	112	P120 T122 E123 K137 F140 L144	P120-A126 HydrophobicContact CB-CB 4.44Å; T122-A126 WeakPolarHBondContact O-CB 3.21Å; T122-A126 PolarHBondContact O-N 3.2Å; E123-A126 PolarHBondContact O-N 3.32Å; A126-K137 WeakPolarHBondContact O-CD 3.47Å; A126-K137 WeakPolarHBondContact O-CG 3.32Å; A126-F140 HydrophobicContact CB-CD1 3.88Å; A126-F140 HydrophobicContact CB-CE1 4.28Å; A126-L144 HydrophobicContact CB-CD1 4.06Å
127	L	86.7	Confident	89	Confident	84 Å²	84	55.4 Å²	55.4	44%	0.44	30%	0.3	S	S	.	.	H	α-helix	trans	-71.4	-31.4	177.2	-67.9	174.9	0	0	0	112.8	E123 T124 E125 K137	E123-L127 WeakPolarHBondContact O-CG 3.25Å; E123-L127 PolarHBondContact O-N 2.92Å; E123-L127 VanDerWaalsContact O-N 3.13Å; T124-L127 PolarHBondContact O-N 3.44Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 3.04Å; L127-K137 WeakPolarHBondContact O-CD 3.49Å; L127-K137 PolarHBondContact O-NZ 3.45Å
128	A	89.2	Confident	88.9	Confident	71 Å²	71	59.2 Å²	59.2	59%	0.587	31%	0.314	S	S	*	.	H	α-helix	trans	-82.3	-23.6	177.8	0	0	0	0	0	113.9	T124 E125	T124-A128 WeakPolarHBondContact O-CB 3.2Å; T124-A128 PolarHBondContact O-N 3.31Å; T124-A128 VanDerWaalsContact O-N 3.13Å; E125-A128 CarbonylContact O-C 3.59Å; E125-A128 PolarHBondContact O-N 2.79Å
129	S	89.4	Confident	88.9	Confident	14 Å²	14	58.2 Å²	58.2	10%	0.098	31%	0.308	C	S	.	.			trans	-63	136.8	-169.1	177.7	0	0	0	0	114	E125 L131 K137	E125-S129 VanDerWaalsContact O-CB 3.29Å; E125-S129 WeakPolarHBondContact O-CB 3.47Å; E125-S129 PolarHBondContact O-N 3.09Å; S129-L131 VanDerWaalsContact C-N 3.3Å; S129-L131 PolarHBondContact O-N 2.81Å; S129-L131 WeakPolarHBondContact OG-CB 3.43Å; S129-L131 PolarHBondContact OG-N 3.34Å; S129-K137 WeakPolarHBondContact O-CE 3.41Å; S129-K137 PolarHBondContact O-NZ 3.48Å
130	N	90	Very high	89	Confident	129 Å²	129	58.1 Å²	58.1	69%	0.69	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	5.7	175.5	-67.5	-35.6	0	0	0	114	Y117 M132	Y117-N130 HydrophobicContact CD1-CB 3.99Å; Y117-N130 HydrophobicContact CE1-CB 3.91Å; N130-M132 VanDerWaalsContact C-N 3.3Å; N130-M132 PolarHBondContact O-N 3.33Å
131	L	89.3	Confident	89.4	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.026	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.8	178.1	-77.5	168.6	0	0	0	113.8	V110 K112 Y117 P120 S129 F184	V110-L131 HydrophobicContact CG1-CD1 3.64Å; V110-L131 HydrophobicContact CG1-CD2 4.04Å; V110-L131 HydrophobicContact CG1-CG 4.48Å; K112-L131 HydrophobicContact CB-CD2 3.93Å; K112-L131 HydrophobicContact CD-CD2 3.85Å; K112-L131 PolarHBondContact NZ-O 2.88Å; Y117-L131 HydrophobicContact CD1-CD2 4.39Å; Y117-L131 HydrophobicContact CD1-CG 4.44Å; Y117-L131 HydrophobicContact CD2-CD2 3.45Å; Y117-L131 VanDerWaalsContact CD2-CD2 3.45Å; Y117-L131 HydrophobicContact CD2-CG 4.29Å; Y117-L131 HydrophobicContact CE2-CD2 4.24Å; Y117-L131 HydrophobicContact CG-CD2 3.54Å; Y117-L131 HydrophobicContact CG-CG 3.87Å; P120-L131 HydrophobicContact CG-CD1 4.28Å; S129-L131 VanDerWaalsContact C-N 3.3Å; S129-L131 PolarHBondContact O-N 2.81Å; S129-L131 WeakPolarHBondContact OG-CB 3.43Å; S129-L131 PolarHBondContact OG-N 3.34Å; L131-F184 HydrophobicContact CB-CE1 4.38Å; L131-F184 HydrophobicContact CD1-CD1 4.23Å; L131-F184 HydrophobicContact CD1-CE1 4.42Å; L131-F184 HydrophobicContact CD1-CG 4.39Å
132	M	91.4	Very high	90.2	Very high	12 Å²	12	69.1 Å²	69.1	6%	0.059	35%	0.351	C	S	.	.	S	Bend	trans	-129.5	149.8	-167.6	-71.8	169.1	-75.6	0	0	111.7	P120 N130 E136 K137 F140 V181 F184	P120-M132 HydrophobicContact CG-CE 4.03Å; N130-M132 VanDerWaalsContact C-N 3.3Å; N130-M132 PolarHBondContact O-N 3.33Å; M132-E136 HydrophobicContact CB-CB 4.24Å; M132-E136 HydrophobicContact CB-CG 4.26Å; M132-E136 HydrophobicContact CG-CG 4.09Å; M132-E136 HydrophobicContact SD-CG 4.36Å; M132-K137 HydrophobicContact CB-CG 3.62Å; M132-K137 HydrophobicContact CE-CG 4.45Å; M132-K137 WeakPolarHBondContact O-CE 3.32Å; M132-F140 HydrophobicContact CE-CB 4.32Å; M132-F140 HydrophobicContact CE-CD1 3.6Å; M132-F140 HydrophobicContact CE-CE1 4.23Å; M132-F140 HydrophobicContact CE-CG 4.11Å; M132-F140 HydrophobicContact SD-CB 3.57Å; M132-F140 VanDerWaalsContact SD-CB 3.57Å; M132-F140 HydrophobicContact SD-CD1 3.88Å; M132-F140 HydrophobicContact SD-CD2 4.5Å; M132-F140 HydrophobicContact SD-CG 3.72Å; M132-V181 HydrophobicContact CG-CG2 3.73Å; M132-V181 HydrophobicContact SD-CG1 4.42Å; M132-V181 HydrophobicContact SD-CG2 3.85Å; M132-F184 HydrophobicContact CE-CE1 4.24Å; M132-F184 HydrophobicContact CE-CZ 3.78Å; M132-F184 HydrophobicContact CG-CE1 4.1Å; M132-F184 HydrophobicContact CG-CZ 4.47Å; M132-F184 HydrophobicContact SD-CE1 3.98Å; M132-F184 HydrophobicContact SD-CZ 3.77Å
133	G	90.7	Very high	91	Very high	45 Å²	45	66.2 Å²	66.2	46%	0.464	33%	0.333	S	S	.	.			trans	-68.3	160.6	168.3	0	0	0	0	0	112.3	F135 E136 K137	G133-F135 VanDerWaalsContact C-N 3.32Å; G133-F135 PolarHBondContact O-N 3.4Å; G133-E136 PolarHBondContact O-N 3.44Å; G133-E136 VanDerWaalsContact O-N 3.11Å; G133-K137 WeakPolarHBondContact O-CG 3.46Å; G133-K137 PolarHBondContact O-N 3.12Å
134	M	89.1	Confident	91.4	Very high	132 Å²	132	63 Å²	63	65%	0.65	32%	0.318	S	S	*	.	H	α-helix	trans	-54.3	-41.5	-173.1	-174.2	-177.9	-67.9	0	0	114.3
135	F	91.2	Very high	91.9	Very high	148 Å²	148	59.5 Å²	59.5	65%	0.649	30%	0.297	S	S	*	.	H	α-helix	trans	-71.6	-41.4	179.1	-68.4	-78.6	0	0	0	112.1	G133 K137 R138 R139	G133-F135 VanDerWaalsContact C-N 3.32Å; G133-F135 PolarHBondContact O-N 3.4Å; F135-K137 PolarHBondContact O-N 3.33Å; F135-R138 WeakPolarHBondContact O-CB 3.27Å; F135-R138 PolarHBondContact O-N 3.35Å; F135-R138 VanDerWaalsContact O-N 3.17Å; F135-R139 PolarHBondContact O-N 3.14Å
136	E	93.3	Very high	92.4	Very high	33 Å²	33	57.7 Å²	57.7	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-38.9	179.8	-170.9	167.6	-126.9	0	0	111.9	M132 G133 R138 R139 F140 G178 V181	M132-E136 HydrophobicContact CB-CB 4.24Å; M132-E136 HydrophobicContact CB-CG 4.26Å; M132-E136 HydrophobicContact CG-CG 4.09Å; M132-E136 HydrophobicContact SD-CG 4.36Å; G133-E136 PolarHBondContact O-N 3.44Å; G133-E136 VanDerWaalsContact O-N 3.11Å; E136-R138 PolarHBondContact O-N 3.38Å; E136-R139 PolarHBondContact O-N 3.4Å; E136-R139 VanDerWaalsContact O-N 3.07Å; E136-F140 WeakPolarHBondContact O-CB 3.35Å; E136-F140 PolarHBondContact O-N 3.35Å; E136-G178 PolarHBondContact OE1-N 3.45Å; E136-V181 HydrophobicContact CG-CG2 3.63Å; E136-V181 VanDerWaalsContact OE1-CG2 3.28Å; E136-V181 WeakPolarHBondContact OE1-CG2 3.49Å
137	K	93.4	Very high	92.8	Very high	31 Å²	31	57.9 Å²	57.9	14%	0.135	29%	0.289	C	S	.	.	H	α-helix	trans	-54.8	-39.7	172.1	-67.9	-176.3	-158.6	-161.2	0	112.8	A126 L127 S129 M132 G133 F135 R141	A126-K137 WeakPolarHBondContact O-CD 3.47Å; A126-K137 WeakPolarHBondContact O-CG 3.32Å; L127-K137 WeakPolarHBondContact O-CD 3.49Å; L127-K137 PolarHBondContact O-NZ 3.45Å; S129-K137 WeakPolarHBondContact O-CE 3.41Å; S129-K137 PolarHBondContact O-NZ 3.48Å; M132-K137 HydrophobicContact CB-CG 3.62Å; M132-K137 HydrophobicContact CE-CG 4.45Å; M132-K137 WeakPolarHBondContact O-CE 3.32Å; G133-K137 WeakPolarHBondContact O-CG 3.46Å; G133-K137 PolarHBondContact O-N 3.12Å; F135-K137 PolarHBondContact O-N 3.33Å; K137-R141 WeakPolarHBondContact O-CB 3.48Å; K137-R141 PolarHBondContact O-N 3.44Å
138	R	93.6	Very high	93.2	Very high	143 Å²	143	57.4 Å²	57.4	54%	0.54	30%	0.298	S	S	.	.	H	α-helix	trans	-69.3	-36.6	179.4	-66.5	177.8	-178.3	173.3	1.7	111.5	F135 E136 K142	F135-R138 WeakPolarHBondContact O-CB 3.27Å; F135-R138 PolarHBondContact O-N 3.35Å; F135-R138 VanDerWaalsContact O-N 3.17Å; E136-R138 PolarHBondContact O-N 3.38Å; R138-K142 WeakPolarHBondContact O-CG 3.27Å; R138-K142 PolarHBondContact O-N 3.33Å
139	R	96.2	Very high	93.5	Very high	74 Å²	74	58.6 Å²	58.6	28%	0.279	29%	0.294	S	S	.	.	H	α-helix	trans	-69.9	-45.3	175.2	-65.2	-169.5	-58.8	-115.6	-7	111.4	F135 E136 R141 K142 F143 F175 D176 L177	F135-R139 PolarHBondContact O-N 3.14Å; E136-R139 PolarHBondContact O-N 3.4Å; E136-R139 VanDerWaalsContact O-N 3.07Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 3.43Å; R139-K142 WeakPolarHBondContact O-CB 3.48Å; R139-K142 PolarHBondContact O-N 3.41Å; R139-F143 PolarHBondContact O-N 3.4Å; R139-F175 WeakPolarHBondContact CB-O 3.43Å; R139-F175 WeakPolarHBondContact CD-O 3.4Å; R139-D176 WeakPolarHBondContact CD-OD2 3.49Å; R139-D176 VanDerWaalsContact CZ-O 3.25Å; R139-D176 IonicContact CZ-OD2 2.87Å; R139-D176 PolarHBondContact NE-O 3.36Å; R139-D176 IonicContact NE-OD2 2.75Å; R139-D176 PolarHBondContact NE-OD2 2.95Å; R139-D176 IonicContact NH1-OD2 3.15Å; R139-D176 PolarHBondContact NH1-OD2 3.39Å; R139-D176 PolarHBondContact NH2-O 3.36Å; R139-D176 IonicContact NH2-OD2 2.71Å; R139-L177 HydrophobicContact CB-CD2 3.93Å
140	F	96.4	Very high	93.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-40.2	175.8	-173.7	-112	0	0	0	112.4	P120 A126 M132 E136 K142 F143 L144 L177 V181 F184 T185 L189	P120-F140 HydrophobicContact CB-CE1 4.45Å; P120-F140 HydrophobicContact CG-CE1 4.01Å; A126-F140 HydrophobicContact CB-CD1 3.88Å; A126-F140 HydrophobicContact CB-CE1 4.28Å; M132-F140 HydrophobicContact CE-CB 4.32Å; M132-F140 HydrophobicContact CE-CD1 3.6Å; M132-F140 HydrophobicContact CE-CE1 4.23Å; M132-F140 HydrophobicContact CE-CG 4.11Å; M132-F140 HydrophobicContact SD-CB 3.57Å; M132-F140 VanDerWaalsContact SD-CB 3.57Å; M132-F140 HydrophobicContact SD-CD1 3.88Å; M132-F140 HydrophobicContact SD-CD2 4.5Å; M132-F140 HydrophobicContact SD-CG 3.72Å; E136-F140 WeakPolarHBondContact O-CB 3.35Å; E136-F140 PolarHBondContact O-N 3.35Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 3.08Å; F140-F143 HydrophobicContact CD2-CD1 4Å; F140-F143 AromaticContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CE1 4.2Å; F140-F143 WeakPolarHBondContact O-CB 3.31Å; F140-F143 PolarHBondContact O-N 2.75Å; F140-F143 VanDerWaalsContact O-N 3.17Å; F140-L144 HydrophobicContact CD1-CD1 4.15Å; F140-L144 HydrophobicContact CD1-CG 4.34Å; F140-L144 HydrophobicContact CE1-CD1 3.63Å; F140-L144 HydrophobicContact CE1-CD2 4.2Å; F140-L144 HydrophobicContact CE1-CG 3.89Å; F140-L144 HydrophobicContact CE2-CD2 4.38Å; F140-L144 HydrophobicContact CE2-CG 4.5Å; F140-L144 HydrophobicContact CZ-CD1 4.14Å; F140-L144 HydrophobicContact CZ-CD2 3.83Å; F140-L144 HydrophobicContact CZ-CG 3.97Å; F140-L144 PolarHBondContact O-N 2.77Å; F140-L177 HydrophobicContact CB-CD2 4.37Å; F140-L177 HydrophobicContact CD2-CD1 4.19Å; F140-V181 HydrophobicContact CD2-CG1 3.51Å; F140-V181 HydrophobicContact CE2-CG1 3.99Å; F140-V181 HydrophobicContact CG-CG1 4.25Å; F140-F184 HydrophobicContact CD1-CZ 4.27Å; F140-F184 HydrophobicContact CD2-CZ 4.23Å; F140-F184 AromaticContact CE1-CE2 3.89Å; F140-F184 HydrophobicContact CE1-CE2 3.89Å; F140-F184 AromaticContact CE1-CZ 3.98Å; F140-F184 HydrophobicContact CE1-CZ 3.98Å; F140-F184 AromaticContact CE2-CE2 3.86Å; F140-F184 HydrophobicContact CE2-CE2 3.86Å; F140-F184 AromaticContact CE2-CZ 3.95Å; F140-F184 HydrophobicContact CE2-CZ 3.95Å; F140-F184 HydrophobicContact CG-CZ 4.39Å; F140-F184 AromaticContact CZ-CE2 3.47Å; F140-F184 HydrophobicContact CZ-CE2 3.47Å; F140-F184 VanDerWaalsContact CZ-CE2 3.47Å; F140-F184 AromaticContact CZ-CZ 3.82Å; F140-F184 HydrophobicContact CZ-CZ 3.82Å; F140-T185 HydrophobicContact CE2-CG2 4.49Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.2Å; F140-L189 HydrophobicContact CZ-CD1 3.87Å
141	R	95.1	Very high	94.1	Very high	100 Å²	100	55.4 Å²	55.4	38%	0.377	28%	0.276	S	S	.	.	H	α-helix	trans	-56	-46.9	170.6	179.4	-174.1	171.5	-119.5	-3.1	111.7	E123 K137 R139 F143 L144 V145	E123-R141 HydrophobicContact CB-CG 4.11Å; E123-R141 HydrophobicContact CG-CG 4.04Å; E123-R141 IonicContact OE2-CZ 3.8Å; E123-R141 IonicContact OE2-NE 3.26Å; E123-R141 PolarHBondContact OE2-NE 3.23Å; E123-R141 IonicContact OE2-NH2 3.44Å; E123-R141 PolarHBondContact OE2-NH2 3.31Å; K137-R141 WeakPolarHBondContact O-CB 3.48Å; K137-R141 PolarHBondContact O-N 3.44Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 3.43Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 2.9Å; R141-L144 PolarHBondContact O-N 3.28Å; R141-V145 WeakPolarHBondContact O-CG2 3.3Å; R141-V145 PolarHBondContact O-N 3.38Å
142	K	95.8	Very high	94.3	Very high	139 Å²	139	59.7 Å²	59.7	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-61.3	-39.6	177.8	-71.6	178.5	178.7	-173.3	0	111.7	R138 R139 F140 V145 F146 F175	R138-K142 WeakPolarHBondContact O-CG 3.27Å; R138-K142 PolarHBondContact O-N 3.33Å; R139-K142 WeakPolarHBondContact O-CB 3.48Å; R139-K142 PolarHBondContact O-N 3.41Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 3.08Å; K142-V145 PolarHBondContact O-N 2.91Å; K142-F146 PolarHBondContact O-N 2.89Å; K142-F175 HydrophobicContact CB-CD1 4.27Å; K142-F175 HydrophobicContact CB-CE1 4.33Å
143	F	96.9	Very high	94.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-46.2	173.6	168.9	-103.4	0	0	0	112.1	R139 F140 R141 V145 F146 V147 M168 V171 Y172 F175 L177 T185 I209	R139-F143 PolarHBondContact O-N 3.4Å; F140-F143 HydrophobicContact CD2-CD1 4Å; F140-F143 AromaticContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CD1 3.78Å; F140-F143 HydrophobicContact CE2-CE1 4.2Å; F140-F143 WeakPolarHBondContact O-CB 3.31Å; F140-F143 PolarHBondContact O-N 2.75Å; F140-F143 VanDerWaalsContact O-N 3.17Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 2.9Å; F143-V145 VanDerWaalsContact C-N 3.31Å; F143-V145 PolarHBondContact O-N 2.84Å; F143-F146 HydrophobicContact CD2-CD1 4.37Å; F143-F146 WeakPolarHBondContact O-CB 3.2Å; F143-F146 PolarHBondContact O-N 2.77Å; F143-V147 HydrophobicContact CD2-CG2 4.27Å; F143-V147 HydrophobicContact CE1-CG2 4Å; F143-V147 HydrophobicContact CE2-CG2 3.73Å; F143-V147 HydrophobicContact CZ-CG2 3.58Å; F143-V147 WeakPolarHBondContact O-CG2 3.21Å; F143-V147 PolarHBondContact O-N 3.26Å; F143-M168 HydrophobicContact CE2-CE 3.59Å; F143-M168 HydrophobicContact CZ-CE 3.61Å; F143-V171 HydrophobicContact CD2-CG1 4.46Å; F143-V171 HydrophobicContact CE2-CG1 4.04Å; F143-Y172 HydrophobicContact CE1-CE1 4.36Å; F143-Y172 HydrophobicContact CE2-CD1 4.37Å; F143-Y172 HydrophobicContact CE2-CE1 4.13Å; F143-Y172 AromaticContact CZ-CE1 3.84Å; F143-Y172 HydrophobicContact CZ-CE1 3.84Å; F143-F175 HydrophobicContact CB-CB 4.27Å; F143-F175 HydrophobicContact CB-CD1 4.06Å; F143-F175 HydrophobicContact CB-CD2 4.21Å; F143-F175 HydrophobicContact CB-CG 3.91Å; F143-F175 AromaticContact CD2-CD2 3.68Å; F143-F175 HydrophobicContact CD2-CD2 3.68Å; F143-F175 AromaticContact CD2-CE2 3.94Å; F143-F175 HydrophobicContact CD2-CE2 3.94Å; F143-F175 HydrophobicContact CD2-CG 4.24Å; F143-F175 HydrophobicContact CG-CD2 4.43Å; F143-L177 HydrophobicContact CB-CD1 4.12Å; F143-L177 HydrophobicContact CD1-CD1 4.2Å; F143-L177 HydrophobicContact CD2-CD1 4.41Å; F143-L177 HydrophobicContact CG-CD1 3.97Å; F143-T185 HydrophobicContact CE1-CG2 3.77Å; F143-T185 HydrophobicContact CZ-CG2 4.2Å; F143-I209 HydrophobicContact CE1-CD1 4.03Å; F143-I209 HydrophobicContact CZ-CD1 3.69Å
144	L	94.8	Very high	94.8	Very high	12 Å²	12	66.9 Å²	66.9	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-38.4	176.3	-69.3	-177.1	0	0	0	112.5	A126 F140 R141 V147 A148	A126-L144 HydrophobicContact CB-CD1 4.06Å; F140-L144 HydrophobicContact CD1-CD1 4.15Å; F140-L144 HydrophobicContact CD1-CG 4.34Å; F140-L144 HydrophobicContact CE1-CD1 3.63Å; F140-L144 HydrophobicContact CE1-CD2 4.2Å; F140-L144 HydrophobicContact CE1-CG 3.89Å; F140-L144 HydrophobicContact CE2-CD2 4.38Å; F140-L144 HydrophobicContact CE2-CG 4.5Å; F140-L144 HydrophobicContact CZ-CD1 4.14Å; F140-L144 HydrophobicContact CZ-CD2 3.83Å; F140-L144 HydrophobicContact CZ-CG 3.97Å; F140-L144 PolarHBondContact O-N 2.77Å; R141-L144 PolarHBondContact O-N 3.28Å; L144-V147 PolarHBondContact O-N 3.2Å; L144-A148 WeakPolarHBondContact O-CB 3.41Å; L144-A148 PolarHBondContact O-N 3.11Å
145	V	95	Very high	95	Very high	40 Å²	40	65 Å²	65	24%	0.242	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-43.3	174.6	171.7	0	0	0	0	111	E123 R141 K142 F143 A148 N149	E123-V145 HydrophobicContact CG-CG2 3.99Å; R141-V145 WeakPolarHBondContact O-CG2 3.3Å; R141-V145 PolarHBondContact O-N 3.38Å; K142-V145 PolarHBondContact O-N 2.91Å; F143-V145 VanDerWaalsContact C-N 3.31Å; F143-V145 PolarHBondContact O-N 2.84Å; V145-A148 PolarHBondContact O-N 2.99Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.33Å; V145-N149 WeakPolarHBondContact O-CB 3.28Å; V145-N149 VanDerWaalsContact O-CG 3.32Å; V145-N149 PolarHBondContact O-N 3.09Å; V145-N149 PolarHBondContact O-ND2 2.7Å
146	F	96.5	Very high	95.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-49.7	173.5	161.2	-101.8	0	0	0	111.5	K142 F143 A148 N149 F150 F158 E159 V161 V171 F175 I206	K142-F146 PolarHBondContact O-N 2.89Å; F143-F146 HydrophobicContact CD2-CD1 4.37Å; F143-F146 WeakPolarHBondContact O-CB 3.2Å; F143-F146 PolarHBondContact O-N 2.77Å; F146-A148 PolarHBondContact O-N 2.9Å; F146-N149 PolarHBondContact O-N 2.91Å; F146-F150 HydrophobicContact CE2-CD2 4.23Å; F146-F150 HydrophobicContact CZ-CD2 4.07Å; F146-F150 WeakPolarHBondContact O-CB 3.41Å; F146-F150 PolarHBondContact O-N 3.27Å; F146-F158 WeakPolarHBondContact CE2-O 3.34Å; F146-E159 HydrophobicContact CD2-CB 4.23Å; F146-E159 HydrophobicContact CD2-CG 4.05Å; F146-E159 HydrophobicContact CE2-CB 4.3Å; F146-E159 HydrophobicContact CE2-CG 4.49Å; F146-V161 HydrophobicContact CZ-CB 4.49Å; F146-V161 HydrophobicContact CZ-CG2 4.18Å; F146-V171 HydrophobicContact CE1-CG1 4.02Å; F146-F175 HydrophobicContact CB-CE1 4.09Å; F146-F175 HydrophobicContact CB-CE2 4.21Å; F146-F175 HydrophobicContact CB-CZ 3.44Å; F146-F175 VanDerWaalsContact CB-CZ 3.44Å; F146-F175 AromaticContact CD1-CE2 3.68Å; F146-F175 HydrophobicContact CD1-CE2 3.68Å; F146-F175 AromaticContact CD1-CZ 3.79Å; F146-F175 HydrophobicContact CD1-CZ 3.79Å; F146-F175 HydrophobicContact CD2-CZ 4.14Å; F146-F175 HydrophobicContact CE1-CE2 4.22Å; F146-F175 AromaticContact CG-CE2 3.91Å; F146-F175 HydrophobicContact CG-CE2 3.91Å; F146-F175 AromaticContact CG-CZ 3.51Å; F146-F175 HydrophobicContact CG-CZ 3.51Å; F146-I206 HydrophobicContact CE1-CD1 3.93Å; F146-I206 HydrophobicContact CE1-CG1 4.45Å; F146-I206 HydrophobicContact CZ-CD1 4.06Å
147	V	95.9	Very high	95.4	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-44.8	178.7	171.4	0	0	0	0	111.4	F143 L144 N149 F150 I206 I209 K210	F143-V147 HydrophobicContact CD2-CG2 4.27Å; F143-V147 HydrophobicContact CE1-CG2 4Å; F143-V147 HydrophobicContact CE2-CG2 3.73Å; F143-V147 HydrophobicContact CZ-CG2 3.58Å; F143-V147 WeakPolarHBondContact O-CG2 3.21Å; F143-V147 PolarHBondContact O-N 3.26Å; L144-V147 PolarHBondContact O-N 3.2Å; V147-N149 PolarHBondContact O-N 3.39Å; V147-F150 PolarHBondContact O-N 3.45Å; V147-I206 HydrophobicContact CG1-CG2 4.29Å; V147-I209 HydrophobicContact CG1-CB 4Å; V147-I209 HydrophobicContact CG1-CG2 3.79Å; V147-K210 HydrophobicContact CG1-CG 3.69Å; V147-K210 WeakPolarHBondContact O-CE 3.39Å
148	A	93.5	Very high	95.5	Very high	74 Å²	74	66.4 Å²	66.4	61%	0.612	33%	0.329	S	S	*	.	H	α-helix	trans	-64.6	-37.7	-179.9	0	0	0	0	0	112.8	L144 V145 F146	L144-A148 WeakPolarHBondContact O-CB 3.41Å; L144-A148 PolarHBondContact O-N 3.11Å; V145-A148 PolarHBondContact O-N 2.99Å; F146-A148 PolarHBondContact O-N 2.9Å
149	N	95.9	Very high	95.6	Very high	97 Å²	97	64.5 Å²	64.5	52%	0.519	33%	0.326	S	S	.	.	H	α-helix	trans	-85.5	-13.4	-178.3	-70.2	-29.1	0	0	0	114.2	V145 F146 V147 D151 T157	V145-N149 WeakPolarHBondContact CG1-ND2 3.33Å; V145-N149 WeakPolarHBondContact O-CB 3.28Å; V145-N149 VanDerWaalsContact O-CG 3.32Å; V145-N149 PolarHBondContact O-N 3.09Å; V145-N149 PolarHBondContact O-ND2 2.7Å; F146-N149 PolarHBondContact O-N 2.91Å; V147-N149 PolarHBondContact O-N 3.39Å; N149-D151 PolarHBondContact O-N 3.35Å; N149-T157 VanDerWaalsContact O-CB 3.29Å; N149-T157 WeakPolarHBondContact O-CB 3.31Å; N149-T157 VanDerWaalsContact O-CG2 3.3Å; N149-T157 WeakPolarHBondContact O-CG2 3.26Å
150	F	96.9	Very high	95.3	Very high	5 Å²	5	64.8 Å²	64.8	2%	0.022	35%	0.352	C	S	.	.			trans	-57.8	133.3	-178.9	-176.2	-90.5	0	0	0	110.4	F146 V147 E152 F158 P163 L203 I206 K210	F146-F150 HydrophobicContact CE2-CD2 4.23Å; F146-F150 HydrophobicContact CZ-CD2 4.07Å; F146-F150 WeakPolarHBondContact O-CB 3.41Å; F146-F150 PolarHBondContact O-N 3.27Å; V147-F150 PolarHBondContact O-N 3.45Å; F150-E152 HydrophobicContact CE1-CG 3.7Å; F150-E152 HydrophobicContact CZ-CG 4.45Å; F150-F158 AromaticContact CD2-CD1 3.87Å; F150-F158 HydrophobicContact CD2-CD1 3.87Å; F150-F158 HydrophobicContact CD2-CE1 4.4Å; F150-F158 HydrophobicContact CE1-CE1 4.39Å; F150-F158 AromaticContact CE2-CD1 3.3Å; F150-F158 HydrophobicContact CE2-CD1 3.3Å; F150-F158 AromaticContact CE2-CE1 3.67Å; F150-F158 HydrophobicContact CE2-CE1 3.67Å; F150-F158 HydrophobicContact CE2-CG 4.1Å; F150-F158 AromaticContact CZ-CD1 3.8Å; F150-F158 HydrophobicContact CZ-CD1 3.8Å; F150-F158 AromaticContact CZ-CE1 3.63Å; F150-F158 HydrophobicContact CZ-CE1 3.63Å; F150-F158 HydrophobicContact CZ-CZ 4.49Å; F150-P163 HydrophobicContact CE2-CB 4.2Å; F150-P163 HydrophobicContact CE2-CG 4.48Å; F150-P163 HydrophobicContact CZ-CB 3.62Å; F150-P163 HydrophobicContact CZ-CG 3.95Å; F150-L203 HydrophobicContact CE1-CD1 3.72Å; F150-L203 HydrophobicContact CZ-CD1 4.06Å; F150-I206 HydrophobicContact CB-CG2 4.09Å; F150-I206 HydrophobicContact CD1-CG2 3.7Å; F150-I206 HydrophobicContact CD2-CD1 4.17Å; F150-I206 HydrophobicContact CE1-CG2 4.29Å; F150-I206 HydrophobicContact CE2-CD1 4.15Å; F150-I206 HydrophobicContact CG-CG2 3.85Å; F150-I206 HydrophobicContact CZ-CD1 4.48Å; F150-K210 WeakPolarHBondContact O-CE 3.25Å; F150-K210 PolarHBondContact O-NZ 3.2Å
151	D	96	Very high	95.2	Very high	71 Å²	71	65.3 Å²	65.3	38%	0.38	36%	0.355	S	S	.	.			trans	-138.5	116.6	173.3	-180	-8.5	0	0	0	108.4	N149 N153 D154 T157 F158	N149-D151 PolarHBondContact O-N 3.35Å; D151-N153 PolarHBondContact O-N 3.38Å; D151-N153 PolarHBondContact OD1-N 2.89Å; D151-N153 PolarHBondContact OD1-ND2 3.35Å; D151-D154 HydrophobicContact CB-CB 4.26Å; D151-D154 CarbonylContact O-C 3.55Å; D151-D154 PolarHBondContact O-N 3.32Å; D151-T157 HydrophobicContact CB-CG2 4.16Å; D151-T157 PolarHBondContact N-OG1 3.03Å; D151-T157 PolarHBondContact O-OG1 3.44Å; D151-F158 WeakPolarHBondContact O-CE1 3.46Å
152	E	93.8	Very high	95.3	Very high	94 Å²	94	64 Å²	64	44%	0.439	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-23.6	-179.6	-67.6	-175.8	-135.1	0	0	113.6	F150 L203 N207	F150-E152 HydrophobicContact CE1-CG 3.7Å; F150-E152 HydrophobicContact CZ-CG 4.45Å; E152-L203 HydrophobicContact CG-CD1 3.69Å; E152-N207 PolarHBondContact OE1-ND2 3.47Å
153	N	95	Very high	95.3	Very high	148 Å²	148	57.8 Å²	57.8	79%	0.791	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-8.2	-178.9	-53.7	-68.5	0	0	0	113.6	D151	D151-N153 PolarHBondContact O-N 3.38Å; D151-N153 PolarHBondContact OD1-N 2.89Å; D151-N153 PolarHBondContact OD1-ND2 3.35Å
154	D	95.7	Very high	95.2	Very high	61 Å²	61	65.3 Å²	65.3	33%	0.326	36%	0.362	S	S	.	.			trans	-121.9	97.7	176.6	-174.8	1.9	0	0	0	111.5	D151 K156 T157	D151-D154 HydrophobicContact CB-CB 4.26Å; D151-D154 CarbonylContact O-C 3.55Å; D151-D154 PolarHBondContact O-N 3.32Å; D154-K156 PolarHBondContact O-N 3.27Å; D154-K156 VanDerWaalsContact OD1-CB 3.28Å; D154-K156 WeakPolarHBondContact OD1-CB 3.47Å; D154-K156 WeakPolarHBondContact OD1-CG 3.35Å; D154-K156 PolarHBondContact OD1-N 2.92Å; D154-T157 HydrophobicContact CB-CG2 3.96Å; D154-T157 WeakPolarHBondContact O-CB 3.42Å; D154-T157 PolarHBondContact O-N 3.12Å; D154-T157 PolarHBondContact O-OG1 3.2Å
155	P	95.1	Very high	95.4	Very high	91 Å²	91	69.2 Å²	69.2	59%	0.591	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-56.8	-19.2	178.5	-26.7	35.2	0	0	0	115.3	T157 F158	P155-T157 PolarHBondContact O-N 3.18Å; P155-F158 HydrophobicContact CB-CD2 4.16Å; P155-F158 HydrophobicContact CB-CE2 4.09Å; P155-F158 HydrophobicContact CG-CE2 4.35Å; P155-F158 WeakPolarHBondContact O-CB 3.44Å; P155-F158 PolarHBondContact O-N 2.91Å
156	K	95	Very high	95.5	Very high	185 Å²	185	68.9 Å²	68.9	80%	0.804	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-65.9	-29.3	176.1	-64.4	174.8	-178.1	170.3	0	112	D154 F158	D154-K156 PolarHBondContact O-N 3.27Å; D154-K156 VanDerWaalsContact OD1-CB 3.28Å; D154-K156 WeakPolarHBondContact OD1-CB 3.47Å; D154-K156 WeakPolarHBondContact OD1-CG 3.35Å; D154-K156 PolarHBondContact OD1-N 2.92Å; K156-F158 VanDerWaalsContact C-N 3.26Å; K156-F158 PolarHBondContact O-N 2.88Å
157	T	96.6	Very high	95.6	Very high	28 Å²	28	70.2 Å²	70.2	17%	0.172	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-75.9	-14.5	-179.8	69.6	0	0	0	0	113	N149 D151 D154 P155 E159	N149-T157 VanDerWaalsContact O-CB 3.29Å; N149-T157 WeakPolarHBondContact O-CB 3.31Å; N149-T157 VanDerWaalsContact O-CG2 3.3Å; N149-T157 WeakPolarHBondContact O-CG2 3.26Å; D151-T157 HydrophobicContact CB-CG2 4.16Å; D151-T157 PolarHBondContact N-OG1 3.03Å; D151-T157 PolarHBondContact O-OG1 3.44Å; D154-T157 HydrophobicContact CB-CG2 3.96Å; D154-T157 WeakPolarHBondContact O-CB 3.42Å; D154-T157 PolarHBondContact O-N 3.12Å; D154-T157 PolarHBondContact O-OG1 3.2Å; P155-T157 PolarHBondContact O-N 3.18Å; T157-E159 PolarHBondContact O-N 3.47Å
158	F	96.4	Very high	95.7	Very high	30 Å²	30	70 Å²	70	13%	0.132	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-73.4	-14.1	-176.5	-59.3	-11.1	0	0	0	113.2	F146 F150 D151 P155 K156 G160 V161 P163	F146-F158 WeakPolarHBondContact CE2-O 3.34Å; F150-F158 AromaticContact CD2-CD1 3.87Å; F150-F158 HydrophobicContact CD2-CD1 3.87Å; F150-F158 HydrophobicContact CD2-CE1 4.4Å; F150-F158 HydrophobicContact CE1-CE1 4.39Å; F150-F158 AromaticContact CE2-CD1 3.3Å; F150-F158 HydrophobicContact CE2-CD1 3.3Å; F150-F158 AromaticContact CE2-CE1 3.67Å; F150-F158 HydrophobicContact CE2-CE1 3.67Å; F150-F158 HydrophobicContact CE2-CG 4.1Å; F150-F158 AromaticContact CZ-CD1 3.8Å; F150-F158 HydrophobicContact CZ-CD1 3.8Å; F150-F158 AromaticContact CZ-CE1 3.63Å; F150-F158 HydrophobicContact CZ-CE1 3.63Å; F150-F158 HydrophobicContact CZ-CZ 4.49Å; D151-F158 WeakPolarHBondContact O-CE1 3.46Å; P155-F158 HydrophobicContact CB-CD2 4.16Å; P155-F158 HydrophobicContact CB-CE2 4.09Å; P155-F158 HydrophobicContact CG-CE2 4.35Å; P155-F158 WeakPolarHBondContact O-CB 3.44Å; P155-F158 PolarHBondContact O-N 2.91Å; K156-F158 VanDerWaalsContact C-N 3.26Å; K156-F158 PolarHBondContact O-N 2.88Å; F158-G160 PolarHBondContact O-N 3.13Å; F158-V161 VanDerWaalsContact CB-O 3.26Å; F158-V161 WeakPolarHBondContact CB-O 3.35Å; F158-V161 WeakPolarHBondContact O-CB 3.33Å; F158-V161 PolarHBondContact O-N 2.89Å; F158-P163 HydrophobicContact CD2-CG 4.34Å; F158-P163 HydrophobicContact CE1-CG 4.34Å; F158-P163 HydrophobicContact CE2-CG 3.93Å; F158-P163 HydrophobicContact CZ-CG 3.94Å
159	E	94.3	Very high	96	Very high	103 Å²	103	70.2 Å²	70.2	48%	0.481	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	30.8	-177.3	-60.8	-166.6	178.4	0	0	113.7	F146 T157 K174	F146-E159 HydrophobicContact CD2-CB 4.23Å; F146-E159 HydrophobicContact CD2-CG 4.05Å; F146-E159 HydrophobicContact CE2-CB 4.3Å; F146-E159 HydrophobicContact CE2-CG 4.49Å; T157-E159 PolarHBondContact O-N 3.47Å; E159-K174 PolarHBondContact O-NZ 2.84Å
160	G	90.5	Very high	96.1	Very high	80 Å²	80	68.9 Å²	68.9	83%	0.825	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	15.1	-178.8	0	0	0	0	0	115.3	F158	F158-G160 PolarHBondContact O-N 3.13Å
161	V	95.3	Very high	96.2	Very high	11 Å²	11	68.7 Å²	68.7	7%	0.067	37%	0.369	C	S	.	.			trans	-89.9	142	164.6	178	0	0	0	0	108.8	F146 F158 T166 V171 K174 C202	F146-V161 HydrophobicContact CZ-CB 4.49Å; F146-V161 HydrophobicContact CZ-CG2 4.18Å; F158-V161 VanDerWaalsContact CB-O 3.26Å; F158-V161 WeakPolarHBondContact CB-O 3.35Å; F158-V161 WeakPolarHBondContact O-CB 3.33Å; F158-V161 PolarHBondContact O-N 2.89Å; V161-T166 HydrophobicContact CG1-CG2 3.89Å; V161-V171 HydrophobicContact CG1-CG2 3.84Å; V161-V171 HydrophobicContact CG2-CG2 4.25Å; V161-K174 HydrophobicContact CG2-CD 3.89Å; V161-C202 VanDerWaalsContact CG1-SG 3.58Å
162	D	96.3	Very high	96.3	Very high	71 Å²	71	65.3 Å²	65.3	38%	0.38	35%	0.351	S	S	.	.			trans	-99.3	111.3	164.5	174.7	-2.4	0	0	0	108.5	K164 T165 T166	D162-K164 PolarHBondContact O-N 2.85Å; D162-K164 VanDerWaalsContact O-N 3.1Å; D162-K164 PolarHBondContact OD1-N 3.37Å; D162-T165 VanDerWaalsContact CB-OG1 3.28Å; D162-T165 WeakPolarHBondContact CB-OG1 3.36Å; D162-T165 PolarHBondContact O-N 3.37Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.46Å; D162-T165 PolarHBondContact OD2-OG1 3.12Å; D162-T166 PolarHBondContact N-OG1 2.81Å; D162-T166 WeakPolarHBondContact O-CB 3.29Å; D162-T166 PolarHBondContact O-N 2.9Å; D162-T166 PolarHBondContact O-OG1 2.6Å; D162-T166 VanDerWaalsContact O-OG1 3.07Å
163	P	95.6	Very high	96.5	Very high	9 Å²	9	67 Å²	67	6%	0.058	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21	-173.3	24.8	-34.1	0	0	0	114.5	F150 F158 P201 L203	F150-P163 HydrophobicContact CE2-CB 4.2Å; F150-P163 HydrophobicContact CE2-CG 4.48Å; F150-P163 HydrophobicContact CZ-CB 3.62Å; F150-P163 HydrophobicContact CZ-CG 3.95Å; F158-P163 HydrophobicContact CD2-CG 4.34Å; F158-P163 HydrophobicContact CE1-CG 4.34Å; F158-P163 HydrophobicContact CE2-CG 3.93Å; F158-P163 HydrophobicContact CZ-CG 3.94Å; P163-P201 WeakPolarHBondContact O-CB 3.34Å; P163-L203 HydrophobicContact CB-CB 4.05Å; P163-L203 HydrophobicContact CB-CD1 4.09Å; P163-L203 VanDerWaalsContact O-CB 3.32Å; P163-L203 WeakPolarHBondContact O-CB 3.46Å; P163-L203 PolarHBondContact O-N 3.15Å
164	K	96.1	Very high	96.6	Very high	158 Å²	158	64.6 Å²	64.6	69%	0.687	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-12	-177.2	-64.2	-175.2	-179.3	-179.7	0	113.4	D162 P201	D162-K164 PolarHBondContact O-N 2.85Å; D162-K164 VanDerWaalsContact O-N 3.1Å; D162-K164 PolarHBondContact OD1-N 3.37Å; K164-P201 VanDerWaalsContact O-CG 3.28Å; K164-P201 WeakPolarHBondContact O-CG 3.48Å
165	T	97	Very high	96.7	Very high	94 Å²	94	62.8 Å²	62.8	58%	0.577	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.7	-30.4	-173.7	63.8	0	0	0	0	113.8	D162 T167	D162-T165 VanDerWaalsContact CB-OG1 3.28Å; D162-T165 WeakPolarHBondContact CB-OG1 3.36Å; D162-T165 PolarHBondContact O-N 3.37Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.46Å; D162-T165 PolarHBondContact OD2-OG1 3.12Å; T165-T167 PolarHBondContact O-N 3.31Å
166	T	98.3	Very high	96.8	Very high	33 Å²	33	63.1 Å²	63.1	20%	0.202	33%	0.326	C	S	.	.	S	Bend	trans	-73.3	128.2	179.1	-53.7	0	0	0	0	109.5	V161 D162 D170 V171 P201 C202	V161-T166 HydrophobicContact CG1-CG2 3.89Å; D162-T166 PolarHBondContact N-OG1 2.81Å; D162-T166 WeakPolarHBondContact O-CB 3.29Å; D162-T166 PolarHBondContact O-N 2.9Å; D162-T166 PolarHBondContact O-OG1 2.6Å; D162-T166 VanDerWaalsContact O-OG1 3.07Å; T166-D170 HydrophobicContact CG2-CB 3.93Å; T166-V171 HydrophobicContact CG2-CG2 4.14Å; T166-P201 WeakPolarHBondContact O-CA 3.38Å; T166-C202 PolarHBondContact O-N 2.73Å
167	T	98.6	Very high	96.9	Very high	28 Å²	28	55 Å²	55	17%	0.172	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-72.9	154.2	179.8	66.8	0	0	0	0	111.4	T165 R169 D170 V171 L198 V200	T165-T167 PolarHBondContact O-N 3.31Å; T167-R169 PolarHBondContact O-N 2.86Å; T167-D170 PolarHBondContact O-N 3.25Å; T167-D170 VanDerWaalsContact O-N 3.11Å; T167-D170 PolarHBondContact OG1-N 3.48Å; T167-D170 PolarHBondContact OG1-OD2 3.03Å; T167-V171 PolarHBondContact O-N 2.82Å; T167-V171 VanDerWaalsContact O-N 3.12Å; T167-L198 WeakPolarHBondContact CB-O 3.29Å; T167-V200 WeakPolarHBondContact CA-O 3.48Å
168	M	98.6	Very high	96.8	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-32.1	175.4	-165.2	63.9	-157.1	0	0	112	F143 D170 V171 Y172 Y197 L198 V200 C202 T205	F143-M168 HydrophobicContact CE2-CE 3.59Å; F143-M168 HydrophobicContact CZ-CE 3.61Å; M168-D170 VanDerWaalsContact C-N 3.31Å; M168-D170 PolarHBondContact O-N 2.93Å; M168-V171 HydrophobicContact CE-CB 4.17Å; M168-V171 HydrophobicContact CE-CG1 3.89Å; M168-V171 WeakPolarHBondContact O-CB 3.49Å; M168-V171 PolarHBondContact O-N 2.86Å; M168-V171 HydrophobicContact SD-CB 4.13Å; M168-V171 HydrophobicContact SD-CG1 4.34Å; M168-V171 HydrophobicContact SD-CG2 4.47Å; M168-Y172 HydrophobicContact CE-CD1 3.84Å; M168-Y172 HydrophobicContact CE-CE1 3.31Å; M168-Y172 HydrophobicContact CE-CE2 4.11Å; M168-Y172 HydrophobicContact CE-CG 4.46Å; M168-Y172 VanDerWaalsContact CE-CZ 3.47Å; M168-Y172 HydrophobicContact CG-CD2 4.14Å; M168-Y172 HydrophobicContact CG-CE2 3.63Å; M168-Y172 WeakPolarHBondContact O-CD2 3.33Å; M168-Y172 PolarHBondContact O-N 3.19Å; M168-Y197 HydrophobicContact CB-CD2 4.1Å; M168-Y197 HydrophobicContact CB-CE2 4.35Å; M168-Y197 HydrophobicContact CG-CD2 4.01Å; M168-Y197 HydrophobicContact CG-CE2 3.88Å; M168-L198 PolarHBondContact N-O 3.1Å; M168-V200 PolarHBondContact N-O 3.09Å; M168-C202 HydrophobicContact CB-CB 4.37Å; M168-C202 HydrophobicContact SD-CB 3.7Å; M168-T205 HydrophobicContact CE-CG2 4.06Å; M168-T205 HydrophobicContact CG-CG2 3.73Å; M168-T205 HydrophobicContact SD-CG2 3.65Å
169	R	98.4	Very high	96.7	Very high	78 Å²	78	58 Å²	58	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-56.5	-43.9	172.1	-170.9	-175.6	-59	-75	2	112	T167 Y172 K173 L198 D199	T167-R169 PolarHBondContact O-N 2.86Å; R169-Y172 PolarHBondContact O-N 3.12Å; R169-K173 WeakPolarHBondContact O-CG 3.12Å; R169-K173 PolarHBondContact O-N 3.29Å; R169-L198 HydrophobicContact CB-CB 4.27Å; R169-L198 WeakPolarHBondContact CB-O 3.4Å; R169-L198 PolarHBondContact N-O 3.33Å; R169-D199 IonicContact CZ-OD1 2.73Å; R169-D199 IonicContact CZ-OD2 3.31Å; R169-D199 IonicContact NE-OD1 3.82Å; R169-D199 PolarHBondContact NE-OD1 3.28Å; R169-D199 IonicContact NE-OD2 3.48Å; R169-D199 IonicContact NH2-OD1 3.92Å; R169-D199 PolarHBondContact NH2-OD1 3.27Å; R169-D199 IonicContact NH2-OD2 3.6Å; R169-D199 PolarHBondContact NH2-OD2 3.07Å
170	D	98.4	Very high	96.5	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-72.9	-31.7	179.4	-66.1	-33.3	0	0	0	112.4	T166 T167 M168 K173 K174	T166-D170 HydrophobicContact CG2-CB 3.93Å; T167-D170 PolarHBondContact O-N 3.25Å; T167-D170 VanDerWaalsContact O-N 3.11Å; T167-D170 PolarHBondContact OG1-N 3.48Å; T167-D170 PolarHBondContact OG1-OD2 3.03Å; M168-D170 VanDerWaalsContact C-N 3.31Å; M168-D170 PolarHBondContact O-N 2.93Å; D170-K173 PolarHBondContact O-N 2.88Å; D170-K173 IonicContact OD1-NZ 2.75Å; D170-K173 PolarHBondContact OD1-NZ 3.47Å; D170-K174 PolarHBondContact O-N 3.19Å
171	V	98.4	Very high	96.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-46.4	168.1	177.9	0	0	0	0	110.6	F143 F146 V161 T166 T167 M168 K173 K174 F175 C202	F143-V171 HydrophobicContact CD2-CG1 4.46Å; F143-V171 HydrophobicContact CE2-CG1 4.04Å; F146-V171 HydrophobicContact CE1-CG1 4.02Å; V161-V171 HydrophobicContact CG1-CG2 3.84Å; V161-V171 HydrophobicContact CG2-CG2 4.25Å; T166-V171 HydrophobicContact CG2-CG2 4.14Å; T167-V171 PolarHBondContact O-N 2.82Å; T167-V171 VanDerWaalsContact O-N 3.12Å; M168-V171 HydrophobicContact CE-CB 4.17Å; M168-V171 HydrophobicContact CE-CG1 3.89Å; M168-V171 WeakPolarHBondContact O-CB 3.49Å; M168-V171 PolarHBondContact O-N 2.86Å; M168-V171 HydrophobicContact SD-CB 4.13Å; M168-V171 HydrophobicContact SD-CG1 4.34Å; M168-V171 HydrophobicContact SD-CG2 4.47Å; V171-K173 PolarHBondContact O-N 2.99Å; V171-K174 VanDerWaalsContact O-CB 3.32Å; V171-K174 WeakPolarHBondContact O-CB 3.44Å; V171-K174 PolarHBondContact O-N 3.42Å; V171-F175 HydrophobicContact CG1-CD2 4.21Å; V171-F175 HydrophobicContact CG1-CE2 4.1Å; V171-F175 VanDerWaalsContact O-CD2 3.28Å; V171-F175 WeakPolarHBondContact O-CD2 3.33Å; V171-F175 PolarHBondContact O-N 2.91Å; V171-C202 HydrophobicContact CG2-CB 3.64Å
172	Y	98.3	Very high	96.8	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-39.4	176.9	-67.6	-41.9	0	0	0	113.2	F143 M168 R169 K174 F175 D176 L177 I182 T185 Y197 L198	F143-Y172 HydrophobicContact CE1-CE1 4.36Å; F143-Y172 HydrophobicContact CE2-CD1 4.37Å; F143-Y172 HydrophobicContact CE2-CE1 4.13Å; F143-Y172 AromaticContact CZ-CE1 3.84Å; F143-Y172 HydrophobicContact CZ-CE1 3.84Å; M168-Y172 HydrophobicContact CE-CD1 3.84Å; M168-Y172 HydrophobicContact CE-CE1 3.31Å; M168-Y172 HydrophobicContact CE-CE2 4.11Å; M168-Y172 HydrophobicContact CE-CG 4.46Å; M168-Y172 VanDerWaalsContact CE-CZ 3.47Å; M168-Y172 HydrophobicContact CG-CD2 4.14Å; M168-Y172 HydrophobicContact CG-CE2 3.63Å; M168-Y172 WeakPolarHBondContact O-CD2 3.33Å; M168-Y172 PolarHBondContact O-N 3.19Å; R169-Y172 PolarHBondContact O-N 3.12Å; Y172-K174 VanDerWaalsContact C-N 3.35Å; Y172-K174 PolarHBondContact O-N 3.25Å; Y172-F175 CarbonylContact O-C 3.52Å; Y172-F175 PolarHBondContact O-N 3.37Å; Y172-D176 PolarHBondContact O-N 3.32Å; Y172-L177 HydrophobicContact CD1-CD1 3.77Å; Y172-L177 HydrophobicContact CE1-CD1 4.27Å; Y172-L177 PolarHBondContact O-N 2.95Å; Y172-I182 HydrophobicContact CD1-CG1 4.43Å; Y172-I182 HydrophobicContact CD2-CB 4.35Å; Y172-I182 HydrophobicContact CD2-CD1 4.02Å; Y172-I182 HydrophobicContact CD2-CG1 3.7Å; Y172-I182 HydrophobicContact CD2-CG2 3.94Å; Y172-I182 HydrophobicContact CE2-CB 4.38Å; Y172-I182 HydrophobicContact CE2-CG1 4.17Å; Y172-I182 HydrophobicContact CE2-CG2 3.79Å; Y172-I182 HydrophobicContact CG-CD1 4.19Å; Y172-I182 HydrophobicContact CG-CG1 3.84Å; Y172-T185 HydrophobicContact CE1-CG2 3.99Å; Y172-T185 VanDerWaalsContact OH-CG2 3.25Å; Y172-T185 WeakPolarHBondContact OH-CG2 3.47Å; Y172-Y197 AromaticContact CE2-CE2 3.81Å; Y172-Y197 HydrophobicContact CE2-CE2 3.81Å; Y172-L198 HydrophobicContact CD2-CD2 3.8Å; Y172-L198 HydrophobicContact CE2-CD2 3.66Å
173	K	97.9	Very high	96.6	Very high	130 Å²	130	49.6 Å²	49.6	57%	0.565	25%	0.25	S	C	*	.	H	α-helix	trans	-60.9	-41.2	173	-71.3	174.3	-165.8	154.4	0	112.3	R169 D170 V171 F175 D176	R169-K173 WeakPolarHBondContact O-CG 3.12Å; R169-K173 PolarHBondContact O-N 3.29Å; D170-K173 PolarHBondContact O-N 2.88Å; D170-K173 IonicContact OD1-NZ 2.75Å; D170-K173 PolarHBondContact OD1-NZ 3.47Å; V171-K173 PolarHBondContact O-N 2.99Å; K173-F175 PolarHBondContact O-N 3.37Å; K173-D176 PolarHBondContact O-N 3.07Å
174	K	97.8	Very high	96.6	Very high	97 Å²	97	49.4 Å²	49.4	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-55.6	-36.6	176.3	178.4	-164.1	178	76	0	112	E159 V161 D170 V171 Y172	E159-K174 PolarHBondContact O-NZ 2.84Å; V161-K174 HydrophobicContact CG2-CD 3.89Å; D170-K174 PolarHBondContact O-N 3.19Å; V171-K174 VanDerWaalsContact O-CB 3.32Å; V171-K174 WeakPolarHBondContact O-CB 3.44Å; V171-K174 PolarHBondContact O-N 3.42Å; Y172-K174 VanDerWaalsContact C-N 3.35Å; Y172-K174 PolarHBondContact O-N 3.25Å
175	F	97.5	Very high	96.6	Very high	22 Å²	22	41.9 Å²	41.9	10%	0.096	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	1.9	178.1	-68.2	-79	0	0	0	114	R139 K142 F143 F146 V171 Y172 K173 L177	R139-F175 WeakPolarHBondContact CB-O 3.43Å; R139-F175 WeakPolarHBondContact CD-O 3.4Å; K142-F175 HydrophobicContact CB-CD1 4.27Å; K142-F175 HydrophobicContact CB-CE1 4.33Å; F143-F175 HydrophobicContact CB-CB 4.27Å; F143-F175 HydrophobicContact CB-CD1 4.06Å; F143-F175 HydrophobicContact CB-CD2 4.21Å; F143-F175 HydrophobicContact CB-CG 3.91Å; F143-F175 AromaticContact CD2-CD2 3.68Å; F143-F175 HydrophobicContact CD2-CD2 3.68Å; F143-F175 AromaticContact CD2-CE2 3.94Å; F143-F175 HydrophobicContact CD2-CE2 3.94Å; F143-F175 HydrophobicContact CD2-CG 4.24Å; F143-F175 HydrophobicContact CG-CD2 4.43Å; F146-F175 HydrophobicContact CB-CE1 4.09Å; F146-F175 HydrophobicContact CB-CE2 4.21Å; F146-F175 HydrophobicContact CB-CZ 3.44Å; F146-F175 VanDerWaalsContact CB-CZ 3.44Å; F146-F175 AromaticContact CD1-CE2 3.68Å; F146-F175 HydrophobicContact CD1-CE2 3.68Å; F146-F175 AromaticContact CD1-CZ 3.79Å; F146-F175 HydrophobicContact CD1-CZ 3.79Å; F146-F175 HydrophobicContact CD2-CZ 4.14Å; F146-F175 HydrophobicContact CE1-CE2 4.22Å; F146-F175 AromaticContact CG-CE2 3.91Å; F146-F175 HydrophobicContact CG-CE2 3.91Å; F146-F175 AromaticContact CG-CZ 3.51Å; F146-F175 HydrophobicContact CG-CZ 3.51Å; V171-F175 HydrophobicContact CG1-CD2 4.21Å; V171-F175 HydrophobicContact CG1-CE2 4.1Å; V171-F175 VanDerWaalsContact O-CD2 3.28Å; V171-F175 WeakPolarHBondContact O-CD2 3.33Å; V171-F175 PolarHBondContact O-N 2.91Å; Y172-F175 CarbonylContact O-C 3.52Å; Y172-F175 PolarHBondContact O-N 3.37Å; K173-F175 PolarHBondContact O-N 3.37Å; F175-L177 VanDerWaalsContact C-N 3.32Å; F175-L177 HydrophobicContact CB-CD1 4.36Å; F175-L177 HydrophobicContact CB-CD2 4.15Å; F175-L177 HydrophobicContact CB-CG 3.88Å; F175-L177 PolarHBondContact O-N 3.44Å
176	D	97.3	Very high	96.6	Very high	99 Å²	99	37.4 Å²	37.4	53%	0.529	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	49	-178.6	179.6	51	0	0	0	111.9	R139 Y172 K173	R139-D176 WeakPolarHBondContact CD-OD2 3.49Å; R139-D176 VanDerWaalsContact CZ-O 3.25Å; R139-D176 IonicContact CZ-OD2 2.87Å; R139-D176 PolarHBondContact NE-O 3.36Å; R139-D176 IonicContact NE-OD2 2.75Å; R139-D176 PolarHBondContact NE-OD2 2.95Å; R139-D176 IonicContact NH1-OD2 3.15Å; R139-D176 PolarHBondContact NH1-OD2 3.39Å; R139-D176 PolarHBondContact NH2-O 3.36Å; R139-D176 IonicContact NH2-OD2 2.71Å; Y172-D176 PolarHBondContact O-N 3.32Å; K173-D176 PolarHBondContact O-N 3.07Å
177	L	97	Very high	96.6	Very high	13 Å²	13	35.9 Å²	35.9	7%	0.068	18%	0.178	C	C	.	.			trans	-89.7	130.4	176.8	-55.6	-172.1	0	0	0	110.6	R139 F140 F143 Y172 F175 V181	R139-L177 HydrophobicContact CB-CD2 3.93Å; F140-L177 HydrophobicContact CB-CD2 4.37Å; F140-L177 HydrophobicContact CD2-CD1 4.19Å; F143-L177 HydrophobicContact CB-CD1 4.12Å; F143-L177 HydrophobicContact CD1-CD1 4.2Å; F143-L177 HydrophobicContact CD2-CD1 4.41Å; F143-L177 HydrophobicContact CG-CD1 3.97Å; Y172-L177 HydrophobicContact CD1-CD1 3.77Å; Y172-L177 HydrophobicContact CE1-CD1 4.27Å; Y172-L177 PolarHBondContact O-N 2.95Å; F175-L177 VanDerWaalsContact C-N 3.32Å; F175-L177 HydrophobicContact CB-CD1 4.36Å; F175-L177 HydrophobicContact CB-CD2 4.15Å; F175-L177 HydrophobicContact CB-CG 3.88Å; F175-L177 PolarHBondContact O-N 3.44Å; L177-V181 HydrophobicContact CB-CB 4.26Å; L177-V181 HydrophobicContact CB-CG1 4.08Å; L177-V181 HydrophobicContact CD1-CG1 3.91Å; L177-V181 HydrophobicContact CD2-CG1 4.29Å; L177-V181 HydrophobicContact CG-CG1 4.31Å
178	G	94.9	Very high	96.4	Very high	28 Å²	28	34.5 Å²	34.5	29%	0.289	17%	0.17	S	C	.	.			trans	-77.5	168.3	178.1	0	0	0	0	0	113.3	E136 D180 V181 I182	E136-G178 PolarHBondContact OE1-N 3.45Å; G178-D180 VanDerWaalsContact C-N 3.34Å; G178-D180 PolarHBondContact O-N 3.27Å; G178-V181 WeakPolarHBondContact O-CB 3.32Å; G178-V181 PolarHBondContact O-N 2.93Å; G178-I182 WeakPolarHBondContact O-CG1 3.28Å; G178-I182 PolarHBondContact O-N 3.31Å
179	Q	93.4	Very high	96.3	Very high	94 Å²	94	34.6 Å²	34.6	44%	0.439	17%	0.17	S	C	.	.	H	α-helix	trans	-54.9	-44.9	-175.7	-173	61.4	46.2	0	0	112.9	V181 I182 D183	Q179-V181 PolarHBondContact O-N 3.18Å; Q179-I182 WeakPolarHBondContact O-CB 3.44Å; Q179-I182 PolarHBondContact O-N 2.96Å; Q179-I182 VanDerWaalsContact O-N 3.08Å; Q179-D183 PolarHBondContact NE2-OD1 2.95Å; Q179-D183 PolarHBondContact O-N 2.84Å
180	D	91.5	Very high	96.2	Very high	68 Å²	68	31 Å²	31	36%	0.364	16%	0.157	S	C	.	.	H	α-helix	trans	-59.2	-33.1	178.4	-67.8	-26.8	0	0	0	113.1	K112 G178 F184	K112-D180 HydrophobicContact CD-CB 4.42Å; K112-D180 VanDerWaalsContact CE-CG 3.44Å; K112-D180 WeakPolarHBondContact CE-OD2 3.44Å; K112-D180 VanDerWaalsContact NZ-CG 3.28Å; K112-D180 IonicContact NZ-OD2 2.76Å; K112-D180 PolarHBondContact NZ-OD2 3.45Å; G178-D180 VanDerWaalsContact C-N 3.34Å; G178-D180 PolarHBondContact O-N 3.27Å; D180-F184 WeakPolarHBondContact O-CD1 3.43Å; D180-F184 PolarHBondContact O-N 2.85Å
181	V	94.4	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-74.4	-40.9	177.5	179	0	0	0	0	110.8	M132 E136 F140 L177 G178 Q179 D183 F184 T185	M132-V181 HydrophobicContact CG-CG2 3.73Å; M132-V181 HydrophobicContact SD-CG1 4.42Å; M132-V181 HydrophobicContact SD-CG2 3.85Å; E136-V181 HydrophobicContact CG-CG2 3.63Å; E136-V181 VanDerWaalsContact OE1-CG2 3.28Å; E136-V181 WeakPolarHBondContact OE1-CG2 3.49Å; F140-V181 HydrophobicContact CD2-CG1 3.51Å; F140-V181 HydrophobicContact CE2-CG1 3.99Å; F140-V181 HydrophobicContact CG-CG1 4.25Å; L177-V181 HydrophobicContact CB-CB 4.26Å; L177-V181 HydrophobicContact CB-CG1 4.08Å; L177-V181 HydrophobicContact CD1-CG1 3.91Å; L177-V181 HydrophobicContact CD2-CG1 4.29Å; L177-V181 HydrophobicContact CG-CG1 4.31Å; G178-V181 WeakPolarHBondContact O-CB 3.32Å; G178-V181 PolarHBondContact O-N 2.93Å; Q179-V181 PolarHBondContact O-N 3.18Å; V181-D183 VanDerWaalsContact C-N 3.33Å; V181-F184 VanDerWaalsContact CA-CE1 3.46Å; V181-F184 HydrophobicContact CB-CE1 3.97Å; V181-F184 HydrophobicContact CB-CZ 4.37Å; V181-F184 HydrophobicContact CG1-CE1 3.91Å; V181-F184 HydrophobicContact CG1-CZ 3.8Å; V181-F184 HydrophobicContact CG2-CE1 3.94Å; V181-F184 HydrophobicContact CG2-CZ 4.48Å; V181-T185 WeakPolarHBondContact O-CB 3.43Å; V181-T185 PolarHBondContact O-N 3.31Å; V181-T185 PolarHBondContact O-OG1 3.4Å
182	I	96.1	Very high	95.9	Very high	17 Å²	17	29.4 Å²	29.4	9%	0.087	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-48	174.6	-65.9	173.8	0	0	0	109.5	Y172 G178 Q179 F184 T185 G186 Y197 L198	Y172-I182 HydrophobicContact CD1-CG1 4.43Å; Y172-I182 HydrophobicContact CD2-CB 4.35Å; Y172-I182 HydrophobicContact CD2-CD1 4.02Å; Y172-I182 HydrophobicContact CD2-CG1 3.7Å; Y172-I182 HydrophobicContact CD2-CG2 3.94Å; Y172-I182 HydrophobicContact CE2-CB 4.38Å; Y172-I182 HydrophobicContact CE2-CG1 4.17Å; Y172-I182 HydrophobicContact CE2-CG2 3.79Å; Y172-I182 HydrophobicContact CG-CD1 4.19Å; Y172-I182 HydrophobicContact CG-CG1 3.84Å; G178-I182 WeakPolarHBondContact O-CG1 3.28Å; G178-I182 PolarHBondContact O-N 3.31Å; Q179-I182 WeakPolarHBondContact O-CB 3.44Å; Q179-I182 PolarHBondContact O-N 2.96Å; Q179-I182 VanDerWaalsContact O-N 3.08Å; I182-F184 PolarHBondContact O-N 2.84Å; I182-T185 PolarHBondContact O-N 3Å; I182-G186 PolarHBondContact O-N 2.86Å; I182-Y197 WeakPolarHBondContact CG2-OH 3.35Å; I182-Y197 PolarHBondContact O-OH 3.47Å; I182-L198 HydrophobicContact CG2-CD1 4.4Å; I182-L198 HydrophobicContact CG2-CD2 3.71Å
183	D	94	Very high	95.6	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-53.3	-59	177.9	-72.4	-4.3	0	0	0	111	Q179 V181 T185 H187 P322 N324 Q325	Q179-D183 PolarHBondContact NE2-OD1 2.95Å; Q179-D183 PolarHBondContact O-N 2.84Å; V181-D183 VanDerWaalsContact C-N 3.33Å; D183-T185 VanDerWaalsContact C-N 3.28Å; D183-T185 PolarHBondContact O-N 2.98Å; D183-H187 VanDerWaalsContact O-CB 3.28Å; D183-H187 WeakPolarHBondContact O-CB 3.45Å; D183-H187 PolarHBondContact O-CD2 3.2Å; D183-H187 PolarHBondContact O-N 3.46Å; D183-P322 HydrophobicContact CB-CB 4.28Å; D183-N324 PolarHBondContact OD1-ND2 3.08Å; D183-Q325 PolarHBondContact OD2-NE2 3.26Å; D183-Q325 VanDerWaalsContact OD2-NE2 3.1Å
184	F	94.6	Very high	95.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-69.5	-27.3	-177.5	80.6	-110.5	0	0	0	112.8	V110 P120 L131 M132 F140 D180 V181 I182 A188 L189	V110-F184 HydrophobicContact CB-CB 4.4Å; V110-F184 HydrophobicContact CG1-CB 3.99Å; V110-F184 HydrophobicContact CG2-CB 3.86Å; P120-F184 HydrophobicContact CG-CE2 4.03Å; P120-F184 HydrophobicContact CG-CZ 4.28Å; L131-F184 HydrophobicContact CB-CE1 4.38Å; L131-F184 HydrophobicContact CD1-CD1 4.23Å; L131-F184 HydrophobicContact CD1-CE1 4.42Å; L131-F184 HydrophobicContact CD1-CG 4.39Å; M132-F184 HydrophobicContact CE-CE1 4.24Å; M132-F184 HydrophobicContact CE-CZ 3.78Å; M132-F184 HydrophobicContact CG-CE1 4.1Å; M132-F184 HydrophobicContact CG-CZ 4.47Å; M132-F184 HydrophobicContact SD-CE1 3.98Å; M132-F184 HydrophobicContact SD-CZ 3.77Å; F140-F184 HydrophobicContact CD1-CZ 4.27Å; F140-F184 HydrophobicContact CD2-CZ 4.23Å; F140-F184 AromaticContact CE1-CE2 3.89Å; F140-F184 HydrophobicContact CE1-CE2 3.89Å; F140-F184 AromaticContact CE1-CZ 3.98Å; F140-F184 HydrophobicContact CE1-CZ 3.98Å; F140-F184 AromaticContact CE2-CE2 3.86Å; F140-F184 HydrophobicContact CE2-CE2 3.86Å; F140-F184 AromaticContact CE2-CZ 3.95Å; F140-F184 HydrophobicContact CE2-CZ 3.95Å; F140-F184 HydrophobicContact CG-CZ 4.39Å; F140-F184 AromaticContact CZ-CE2 3.47Å; F140-F184 HydrophobicContact CZ-CE2 3.47Å; F140-F184 VanDerWaalsContact CZ-CE2 3.47Å; F140-F184 AromaticContact CZ-CZ 3.82Å; F140-F184 HydrophobicContact CZ-CZ 3.82Å; D180-F184 WeakPolarHBondContact O-CD1 3.43Å; D180-F184 PolarHBondContact O-N 2.85Å; V181-F184 VanDerWaalsContact CA-CE1 3.46Å; V181-F184 HydrophobicContact CB-CE1 3.97Å; V181-F184 HydrophobicContact CB-CZ 4.37Å; V181-F184 HydrophobicContact CG1-CE1 3.91Å; V181-F184 HydrophobicContact CG1-CZ 3.8Å; V181-F184 HydrophobicContact CG2-CE1 3.94Å; V181-F184 HydrophobicContact CG2-CZ 4.48Å; I182-F184 PolarHBondContact O-N 2.84Å; F184-A188 VanDerWaalsContact O-CA 3.31Å; F184-A188 WeakPolarHBondContact O-CA 3.46Å; F184-A188 WeakPolarHBondContact O-CB 3.43Å; F184-A188 PolarHBondContact O-N 3.49Å; F184-L189 PolarHBondContact O-N 3Å
185	T	96.4	Very high	95	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-71.8	-48.6	178.4	-56.9	0	0	0	0	110.9	F140 F143 Y172 V181 I182 D183 L189 A190 I209	F140-T185 HydrophobicContact CE2-CG2 4.49Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.2Å; F143-T185 HydrophobicContact CE1-CG2 3.77Å; F143-T185 HydrophobicContact CZ-CG2 4.2Å; Y172-T185 HydrophobicContact CE1-CG2 3.99Å; Y172-T185 VanDerWaalsContact OH-CG2 3.25Å; Y172-T185 WeakPolarHBondContact OH-CG2 3.47Å; V181-T185 WeakPolarHBondContact O-CB 3.43Å; V181-T185 PolarHBondContact O-N 3.31Å; V181-T185 PolarHBondContact O-OG1 3.4Å; I182-T185 PolarHBondContact O-N 3Å; D183-T185 VanDerWaalsContact C-N 3.28Å; D183-T185 PolarHBondContact O-N 2.98Å; T185-L189 HydrophobicContact CG2-CD1 4.26Å; T185-L189 WeakPolarHBondContact O-CB 3.02Å; T185-L189 PolarHBondContact O-N 2.71Å; T185-A190 PolarHBondContact O-N 3.21Å; T185-I209 HydrophobicContact CG2-CD1 3.71Å; T185-I209 HydrophobicContact CG2-CG1 4.44Å
186	G	97.1	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	I	π-helix	trans	-64.6	-48.3	177.9	0	0	0	0	0	112.5	I182 A190 L191 Y192 Y197	I182-G186 PolarHBondContact O-N 2.86Å; G186-A190 CarbonylContact O-C 3.48Å; G186-A190 WeakPolarHBondContact O-CB 3.46Å; G186-L191 PolarHBondContact O-N 2.97Å; G186-Y192 PolarHBondContact O-N 2.98Å; G186-Y197 VanDerWaalsContact CA-OH 3.28Å; G186-Y197 WeakPolarHBondContact CA-OH 3.42Å
187	H	97	Very high	94.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.147	C	C	.	.	I	π-helix	trans	-88.7	-35.3	-170.1	-65.4	-97.2	0	0	0	113.1	D183 L191 Y192 D195 I320 P322 D331	D183-H187 VanDerWaalsContact O-CB 3.28Å; D183-H187 WeakPolarHBondContact O-CB 3.45Å; D183-H187 PolarHBondContact O-CD2 3.2Å; D183-H187 PolarHBondContact O-N 3.46Å; H187-L191 WeakPolarHBondContact O-CA 3.47Å; H187-Y192 PolarHBondContact ND1-O 3.44Å; H187-D195 IonicContact NE2-OD1 3.92Å; H187-D195 PolarHBondContact NE2-OD1 2.84Å; H187-I320 HydrophobicContact CB-CG2 4.2Å; H187-I320 WeakPolarHBondContact O-CD1 3.44Å; H187-P322 HydrophobicContact CB-CB 4.26Å; H187-P322 HydrophobicContact CB-CG 4.2Å; H187-D331 IonicContact CE1-OD1 2.84Å; H187-D331 PolarHBondContact CE1-OD1 3.41Å; H187-D331 IonicContact CE1-OD2 2.75Å; H187-D331 IonicContact CG-OD1 3.96Å; H187-D331 IonicContact CG-OD2 2.77Å; H187-D331 IonicContact ND1-OD1 3.34Å; H187-D331 PolarHBondContact ND1-OD1 3.25Å; H187-D331 IonicContact ND1-OD2 3.71Å; H187-D331 PolarHBondContact ND1-OD2 2.93Å
188	A	95.9	Very high	94.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-104	-21.1	-174.8	0	0	0	0	0	115.4	V110 V119 F184 Y212 I320	V110-A188 HydrophobicContact CB-CB 3.98Å; V110-A188 HydrophobicContact CG2-CB 4.01Å; V119-A188 HydrophobicContact CG1-CB 4.32Å; V119-A188 HydrophobicContact CG2-CB 3.83Å; F184-A188 VanDerWaalsContact O-CA 3.31Å; F184-A188 WeakPolarHBondContact O-CA 3.46Å; F184-A188 WeakPolarHBondContact O-CB 3.43Å; F184-A188 PolarHBondContact O-N 3.49Å; A188-Y212 WeakPolarHBondContact O-CE2 3.2Å; A188-I320 HydrophobicContact CB-CB 4.44Å; A188-I320 HydrophobicContact CB-CD1 4.06Å
189	L	95.7	Very high	95	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.155	C	C	.	.	I	π-helix	trans	-101.3	-52.4	171.5	-67.2	171.5	0	0	0	111.8	V119 F140 F184 T185 L191 I209 Y212	V119-L189 HydrophobicContact CG1-CD2 3.53Å; V119-L189 HydrophobicContact CG1-CG 3.91Å; F140-L189 HydrophobicContact CZ-CD1 3.87Å; F184-L189 PolarHBondContact O-N 3Å; T185-L189 HydrophobicContact CG2-CD1 4.26Å; T185-L189 WeakPolarHBondContact O-CB 3.02Å; T185-L189 PolarHBondContact O-N 2.71Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-I209 HydrophobicContact CB-CG1 4.33Å; L189-I209 HydrophobicContact CB-CG2 4.49Å; L189-Y212 HydrophobicContact CD2-CD1 3.46Å; L189-Y212 VanDerWaalsContact CD2-CD1 3.46Å; L189-Y212 HydrophobicContact CD2-CD2 4.18Å; L189-Y212 HydrophobicContact CD2-CE1 3.52Å; L189-Y212 HydrophobicContact CD2-CE2 4.19Å; L189-Y212 HydrophobicContact CD2-CG 3.84Å; L189-Y212 WeakPolarHBondContact O-CB 3.16Å; L189-Y212 WeakPolarHBondContact O-CD2 3.43Å
190	A	96.3	Very high	95.2	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.025	15%	0.151	C	C	.	.	S	Bend	trans	-83.4	-10.3	-178.9	0	0	0	0	0	113.8	T185 G186 Y192 T205 R208 I209	T185-A190 PolarHBondContact O-N 3.21Å; G186-A190 CarbonylContact O-C 3.48Å; G186-A190 WeakPolarHBondContact O-CB 3.46Å; A190-Y192 HydrophobicContact CB-CD2 3.61Å; A190-Y192 HydrophobicContact CB-CE2 3.68Å; A190-Y192 PolarHBondContact O-N 3.45Å; A190-T205 HydrophobicContact CB-CG2 4.03Å; A190-R208 HydrophobicContact CB-CB 4.03Å; A190-R208 WeakPolarHBondContact O-CD 3.36Å; A190-R208 PolarHBondContact O-NH1 2.89Å; A190-I209 HydrophobicContact CB-CG1 3.93Å
191	L	95.9	Very high	95.5	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.073	15%	0.153	C	C	.	.			trans	55.6	38	175.4	-52.3	-178.5	0	0	0	113.2	M82 G186 H187 L189 R208 Y224 I320	M82-L191 HydrophobicContact CE-CD1 3.4Å; G186-L191 PolarHBondContact O-N 2.97Å; H187-L191 WeakPolarHBondContact O-CA 3.47Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L191-R208 PolarHBondContact O-NH1 2.73Å; L191-Y224 HydrophobicContact CD1-CE1 4.3Å; L191-Y224 VanDerWaalsContact CD2-OH 3.31Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.39Å; L191-I320 HydrophobicContact CD2-CD1 3.74Å
192	Y	95.4	Very high	95.6	Very high	22 Å²	22	29.3 Å²	29.3	9%	0.086	15%	0.153	C	C	.	.			trans	-74.6	151.6	166.7	-71.5	-71.5	0	0	0	110.4	G186 H187 A190 Y197 T205 R208	G186-Y192 PolarHBondContact O-N 2.98Å; H187-Y192 PolarHBondContact ND1-O 3.44Å; A190-Y192 HydrophobicContact CB-CD2 3.61Å; A190-Y192 HydrophobicContact CB-CE2 3.68Å; A190-Y192 PolarHBondContact O-N 3.45Å; Y192-Y197 HydrophobicContact CD1-CD1 4.46Å; Y192-Y197 HydrophobicContact CD1-CG 4.28Å; Y192-Y197 AromaticContact CD2-CD1 3.6Å; Y192-Y197 HydrophobicContact CD2-CD1 3.6Å; Y192-Y197 AromaticContact CD2-CD2 3.72Å; Y192-Y197 HydrophobicContact CD2-CD2 3.72Å; Y192-Y197 HydrophobicContact CD2-CE1 4.2Å; Y192-Y197 HydrophobicContact CD2-CE2 4.28Å; Y192-Y197 AromaticContact CD2-CG 3.34Å; Y192-Y197 HydrophobicContact CD2-CG 3.34Å; Y192-Y197 HydrophobicContact CE1-CG 4.4Å; Y192-Y197 VanDerWaalsContact CE2-CB 3.48Å; Y192-Y197 HydrophobicContact CE2-CD1 4.23Å; Y192-Y197 AromaticContact CE2-CD2 3.6Å; Y192-Y197 HydrophobicContact CE2-CD2 3.6Å; Y192-Y197 HydrophobicContact CE2-CE2 4.42Å; Y192-Y197 AromaticContact CE2-CG 3.49Å; Y192-Y197 HydrophobicContact CE2-CG 3.49Å; Y192-Y197 VanDerWaalsContact CE2-CG 3.49Å; Y192-Y197 AromaticContact CG-CD1 3.73Å; Y192-Y197 HydrophobicContact CG-CD1 3.73Å; Y192-Y197 AromaticContact CG-CG 3.77Å; Y192-Y197 HydrophobicContact CG-CG 3.77Å; Y192-Y197 VanDerWaalsContact CZ-CB 3.44Å; Y192-T205 HydrophobicContact CE2-CG2 3.87Å; Y192-T205 WeakPolarHBondContact CE2-OG1 3.37Å; Y192-T205 PolarHBondContact OH-N 3.46Å; Y192-T205 PolarHBondContact OH-OG1 2.6Å; Y192-R208 VanDerWaalsContact CZ-CD 3.44Å; Y192-R208 WeakPolarHBondContact OH-CD 3.41Å
193	R	91.1	Very high	95.7	Very high	122 Å²	122	30.1 Å²	30.1	46%	0.46	16%	0.157	S	C	.	.	S	Bend	trans	-95.3	-19.4	178.9	-59.6	175.7	-63.1	-177.7	8	112.5	Q323 D405 T407	R193-Q323 PolarHBondContact O-OE1 3.45Å; R193-D405 IonicContact CZ-OD2 3.27Å; R193-D405 IonicContact NH1-OD2 2.99Å; R193-D405 PolarHBondContact NH1-OD2 3.24Å; R193-T407 HydrophobicContact CG-CG2 3.68Å
194	T	89.3	Confident	95.8	Very high	49 Å²	49	34.6 Å²	34.6	30%	0.301	18%	0.178	S	C	.	.	S	Bend	trans	-145	161.2	-174.5	60.5	0	0	0	0	109	D196 Y197	T194-D196 PolarHBondContact O-N 3.26Å; T194-D196 PolarHBondContact OG1-OD2 2.92Å; T194-Y197 WeakPolarHBondContact O-CD1 3.29Å
195	D	94.9	Very high	96	Very high	35 Å²	35	34.4 Å²	34.4	19%	0.187	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-78.3	7.2	177.3	-87.6	-30.8	0	0	0	114.3	H187 Y197 L198 N324	H187-D195 IonicContact NE2-OD1 3.92Å; H187-D195 PolarHBondContact NE2-OD1 2.84Å; D195-Y197 PolarHBondContact O-N 3.27Å; D195-Y197 VanDerWaalsContact O-N 3.09Å; D195-L198 HydrophobicContact CB-CD1 3.86Å; D195-L198 HydrophobicContact CB-CG 4.38Å; D195-L198 VanDerWaalsContact O-CB 3.27Å; D195-L198 WeakPolarHBondContact O-CB 3.45Å; D195-L198 VanDerWaalsContact O-CG 3.31Å; D195-L198 WeakPolarHBondContact O-CG 3.35Å; D195-L198 PolarHBondContact O-N 3.27Å; D195-N324 PolarHBondContact OD2-ND2 3.44Å
196	D	94	Very high	96	Very high	118 Å²	118	34.4 Å²	34.4	63%	0.631	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-58.5	-27.6	-179.7	-61.1	-37.4	0	0	0	112.5	T194 L198 D199	T194-D196 PolarHBondContact O-N 3.26Å; T194-D196 PolarHBondContact OG1-OD2 2.92Å; D196-L198 PolarHBondContact O-N 3.36Å; D196-D199 PolarHBondContact O-N 3.24Å
197	Y	96.3	Very high	96	Very high	6 Å²	6	37.1 Å²	37.1	2%	0.024	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-63.5	-18.8	177.8	80.6	-81.3	0	0	0	113.5	M168 Y172 I182 G186 Y192 T194 D195 D199 V200 T205	M168-Y197 HydrophobicContact CB-CD2 4.1Å; M168-Y197 HydrophobicContact CB-CE2 4.35Å; M168-Y197 HydrophobicContact CG-CD2 4.01Å; M168-Y197 HydrophobicContact CG-CE2 3.88Å; Y172-Y197 AromaticContact CE2-CE2 3.81Å; Y172-Y197 HydrophobicContact CE2-CE2 3.81Å; I182-Y197 WeakPolarHBondContact CG2-OH 3.35Å; I182-Y197 PolarHBondContact O-OH 3.47Å; G186-Y197 VanDerWaalsContact CA-OH 3.28Å; G186-Y197 WeakPolarHBondContact CA-OH 3.42Å; Y192-Y197 HydrophobicContact CD1-CD1 4.46Å; Y192-Y197 HydrophobicContact CD1-CG 4.28Å; Y192-Y197 AromaticContact CD2-CD1 3.6Å; Y192-Y197 HydrophobicContact CD2-CD1 3.6Å; Y192-Y197 AromaticContact CD2-CD2 3.72Å; Y192-Y197 HydrophobicContact CD2-CD2 3.72Å; Y192-Y197 HydrophobicContact CD2-CE1 4.2Å; Y192-Y197 HydrophobicContact CD2-CE2 4.28Å; Y192-Y197 AromaticContact CD2-CG 3.34Å; Y192-Y197 HydrophobicContact CD2-CG 3.34Å; Y192-Y197 HydrophobicContact CE1-CG 4.4Å; Y192-Y197 VanDerWaalsContact CE2-CB 3.48Å; Y192-Y197 HydrophobicContact CE2-CD1 4.23Å; Y192-Y197 AromaticContact CE2-CD2 3.6Å; Y192-Y197 HydrophobicContact CE2-CD2 3.6Å; Y192-Y197 HydrophobicContact CE2-CE2 4.42Å; Y192-Y197 AromaticContact CE2-CG 3.49Å; Y192-Y197 HydrophobicContact CE2-CG 3.49Å; Y192-Y197 VanDerWaalsContact CE2-CG 3.49Å; Y192-Y197 AromaticContact CG-CD1 3.73Å; Y192-Y197 HydrophobicContact CG-CD1 3.73Å; Y192-Y197 AromaticContact CG-CG 3.77Å; Y192-Y197 HydrophobicContact CG-CG 3.77Å; Y192-Y197 VanDerWaalsContact CZ-CB 3.44Å; T194-Y197 WeakPolarHBondContact O-CD1 3.29Å; D195-Y197 PolarHBondContact O-N 3.27Å; D195-Y197 VanDerWaalsContact O-N 3.09Å; Y197-D199 PolarHBondContact O-N 2.84Å; Y197-V200 WeakPolarHBondContact O-CG2 3.4Å; Y197-T205 HydrophobicContact CD2-CG2 3.93Å; Y197-T205 HydrophobicContact CE2-CG2 4.09Å
198	L	97.8	Very high	95.9	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-63.9	-32.9	-178.8	-69.8	177.5	0	0	0	112	T167 M168 R169 Y172 I182 D195 D196	T167-L198 WeakPolarHBondContact CB-O 3.29Å; M168-L198 PolarHBondContact N-O 3.1Å; R169-L198 HydrophobicContact CB-CB 4.27Å; R169-L198 WeakPolarHBondContact CB-O 3.4Å; R169-L198 PolarHBondContact N-O 3.33Å; Y172-L198 HydrophobicContact CD2-CD2 3.8Å; Y172-L198 HydrophobicContact CE2-CD2 3.66Å; I182-L198 HydrophobicContact CG2-CD1 4.4Å; I182-L198 HydrophobicContact CG2-CD2 3.71Å; D195-L198 HydrophobicContact CB-CD1 3.86Å; D195-L198 HydrophobicContact CB-CG 4.38Å; D195-L198 VanDerWaalsContact O-CB 3.27Å; D195-L198 WeakPolarHBondContact O-CB 3.45Å; D195-L198 VanDerWaalsContact O-CG 3.31Å; D195-L198 WeakPolarHBondContact O-CG 3.35Å; D195-L198 PolarHBondContact O-N 3.27Å; D196-L198 PolarHBondContact O-N 3.36Å
199	D	97.7	Very high	96	Very high	96 Å²	96	39.1 Å²	39.1	51%	0.513	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-108.7	14.6	-171.8	-61	-51.9	0	0	0	113.4	R169 D196 Y197	R169-D199 IonicContact CZ-OD1 2.73Å; R169-D199 IonicContact CZ-OD2 3.31Å; R169-D199 IonicContact NE-OD1 3.82Å; R169-D199 PolarHBondContact NE-OD1 3.28Å; R169-D199 IonicContact NE-OD2 3.48Å; R169-D199 IonicContact NH2-OD1 3.92Å; R169-D199 PolarHBondContact NH2-OD1 3.27Å; R169-D199 IonicContact NH2-OD2 3.6Å; R169-D199 PolarHBondContact NH2-OD2 3.07Å; D196-D199 PolarHBondContact O-N 3.24Å; Y197-D199 PolarHBondContact O-N 2.84Å
200	V	96.7	Very high	95.9	Very high	59 Å²	59	40.6 Å²	40.6	36%	0.358	21%	0.205	S	C	.	.	S	Bend	trans	-111.6	165.2	171.2	-54.4	0	0	0	0	111	T167 M168 Y197 C202	T167-V200 WeakPolarHBondContact CA-O 3.48Å; M168-V200 PolarHBondContact N-O 3.09Å; Y197-V200 WeakPolarHBondContact O-CG2 3.4Å; V200-C202 PolarHBondContact O-N 3.01Å
201	P	98.3	Very high	95.8	Very high	60 Å²	60	42.2 Å²	42.2	39%	0.39	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-54	135.9	179.9	-29	37.5	0	0	0	113.8	P163 K164 T166 L203	P163-P201 WeakPolarHBondContact O-CB 3.34Å; K164-P201 VanDerWaalsContact O-CG 3.28Å; K164-P201 WeakPolarHBondContact O-CG 3.48Å; T166-P201 WeakPolarHBondContact O-CA 3.38Å; P201-L203 PolarHBondContact O-N 3.31Å; P201-L203 VanDerWaalsContact O-N 3.13Å
202	C	98	Very high	95.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.1	-169.9	67.7	0	0	0	0	115	V161 T166 M168 V171 V200 E204 T205 I206	V161-C202 VanDerWaalsContact CG1-SG 3.58Å; T166-C202 PolarHBondContact O-N 2.73Å; M168-C202 HydrophobicContact CB-CB 4.37Å; M168-C202 HydrophobicContact SD-CB 3.7Å; V171-C202 HydrophobicContact CG2-CB 3.64Å; V200-C202 PolarHBondContact O-N 3.01Å; C202-E204 PolarHBondContact O-N 3.1Å; C202-T205 PolarHBondContact O-N 2.7Å; C202-I206 HydrophobicContact CB-CD1 4.21Å; C202-I206 WeakPolarHBondContact O-CG1 3.47Å; C202-I206 PolarHBondContact O-N 2.9Å
203	L	97.8	Very high	95.6	Very high	34 Å²	34	42.3 Å²	42.3	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-55.9	-47.9	-174	-179	56.6	0	0	0	113	F150 E152 P163 P201 T205 I206 N207	F150-L203 HydrophobicContact CE1-CD1 3.72Å; F150-L203 HydrophobicContact CZ-CD1 4.06Å; E152-L203 HydrophobicContact CG-CD1 3.69Å; P163-L203 HydrophobicContact CB-CB 4.05Å; P163-L203 HydrophobicContact CB-CD1 4.09Å; P163-L203 VanDerWaalsContact O-CB 3.32Å; P163-L203 WeakPolarHBondContact O-CB 3.46Å; P163-L203 PolarHBondContact O-N 3.15Å; P201-L203 PolarHBondContact O-N 3.31Å; P201-L203 VanDerWaalsContact O-N 3.13Å; L203-T205 VanDerWaalsContact C-N 3.32Å; L203-T205 PolarHBondContact O-N 3.38Å; L203-I206 PolarHBondContact O-N 2.99Å; L203-N207 WeakPolarHBondContact O-CB 3.28Å; L203-N207 PolarHBondContact O-N 2.78Å
204	E	96.1	Very high	95.7	Very high	99 Å²	99	41.5 Å²	41.5	46%	0.463	22%	0.22	S	C	.	.	H	α-helix	trans	-62.6	-43.4	-179.3	-169.7	-170.7	153.9	0	0	110.8	C202 N207 R208	C202-E204 PolarHBondContact O-N 3.1Å; E204-N207 PolarHBondContact O-N 2.9Å; E204-R208 WeakPolarHBondContact O-CG 3.47Å; E204-R208 PolarHBondContact O-N 3.28Å; E204-R208 IonicContact OE1-CZ 2.73Å; E204-R208 VanDerWaalsContact OE1-CZ 3.3Å; E204-R208 IonicContact OE1-NE 2.67Å; E204-R208 PolarHBondContact OE1-NE 3.39Å; E204-R208 IonicContact OE1-NH2 3.8Å; E204-R208 PolarHBondContact OE1-NH2 2.91Å
205	T	97.8	Very high	95.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-43.5	179.4	-51.7	0	0	0	0	111.8	M168 A190 Y192 Y197 C202 L203 N207 R208 I209	M168-T205 HydrophobicContact CE-CG2 4.06Å; M168-T205 HydrophobicContact CG-CG2 3.73Å; M168-T205 HydrophobicContact SD-CG2 3.65Å; A190-T205 HydrophobicContact CB-CG2 4.03Å; Y192-T205 HydrophobicContact CE2-CG2 3.87Å; Y192-T205 WeakPolarHBondContact CE2-OG1 3.37Å; Y192-T205 PolarHBondContact OH-N 3.46Å; Y192-T205 PolarHBondContact OH-OG1 2.6Å; Y197-T205 HydrophobicContact CD2-CG2 3.93Å; Y197-T205 HydrophobicContact CE2-CG2 4.09Å; C202-T205 PolarHBondContact O-N 2.7Å; L203-T205 VanDerWaalsContact C-N 3.32Å; L203-T205 PolarHBondContact O-N 3.38Å; T205-N207 VanDerWaalsContact C-N 3.32Å; T205-N207 PolarHBondContact O-N 3.41Å; T205-R208 PolarHBondContact O-N 3.14Å; T205-I209 HydrophobicContact CG2-CD1 3.92Å; T205-I209 HydrophobicContact CG2-CG1 4.46Å; T205-I209 VanDerWaalsContact O-CG1 3.27Å; T205-I209 WeakPolarHBondContact O-CG1 3.38Å; T205-I209 PolarHBondContact O-N 2.9Å
206	I	97.8	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-47.4	174.9	-69.5	169	0	0	0	110	F146 V147 F150 C202 L203 R208 I209 K210	F146-I206 HydrophobicContact CE1-CD1 3.93Å; F146-I206 HydrophobicContact CE1-CG1 4.45Å; F146-I206 HydrophobicContact CZ-CD1 4.06Å; V147-I206 HydrophobicContact CG1-CG2 4.29Å; F150-I206 HydrophobicContact CB-CG2 4.09Å; F150-I206 HydrophobicContact CD1-CG2 3.7Å; F150-I206 HydrophobicContact CD2-CD1 4.17Å; F150-I206 HydrophobicContact CE1-CG2 4.29Å; F150-I206 HydrophobicContact CE2-CD1 4.15Å; F150-I206 HydrophobicContact CG-CG2 3.85Å; F150-I206 HydrophobicContact CZ-CD1 4.48Å; C202-I206 HydrophobicContact CB-CD1 4.21Å; C202-I206 WeakPolarHBondContact O-CG1 3.47Å; C202-I206 PolarHBondContact O-N 2.9Å; L203-I206 PolarHBondContact O-N 2.99Å; I206-R208 PolarHBondContact O-N 2.77Å; I206-I209 PolarHBondContact O-N 2.97Å; I206-K210 HydrophobicContact CG2-CD 4.48Å; I206-K210 WeakPolarHBondContact O-CG 3.34Å; I206-K210 PolarHBondContact O-N 2.97Å
207	N	96	Very high	95.6	Very high	56 Å²	56	36.3 Å²	36.3	30%	0.299	20%	0.202	S	C	.	.	H	α-helix	trans	-66.3	-35.4	-179.8	-75.6	-17.5	0	0	0	112.9	E152 L203 E204 T205 L211	E152-N207 PolarHBondContact OE1-ND2 3.47Å; L203-N207 WeakPolarHBondContact O-CB 3.28Å; L203-N207 PolarHBondContact O-N 2.78Å; E204-N207 PolarHBondContact O-N 2.9Å; T205-N207 VanDerWaalsContact C-N 3.32Å; T205-N207 PolarHBondContact O-N 3.41Å; N207-L211 WeakPolarHBondContact O-CB 3.43Å; N207-L211 PolarHBondContact O-N 2.96Å
208	R	96.2	Very high	95.2	Very high	43 Å²	43	42.5 Å²	42.5	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-43.7	172.4	-75.3	166.8	168	-112.4	5.8	112.4	A190 L191 Y192 E204 T205 I206 L211 Y212	A190-R208 HydrophobicContact CB-CB 4.03Å; A190-R208 WeakPolarHBondContact O-CD 3.36Å; A190-R208 PolarHBondContact O-NH1 2.89Å; L191-R208 PolarHBondContact O-NH1 2.73Å; Y192-R208 VanDerWaalsContact CZ-CD 3.44Å; Y192-R208 WeakPolarHBondContact OH-CD 3.41Å; E204-R208 WeakPolarHBondContact O-CG 3.47Å; E204-R208 PolarHBondContact O-N 3.28Å; E204-R208 IonicContact OE1-CZ 2.73Å; E204-R208 VanDerWaalsContact OE1-CZ 3.3Å; E204-R208 IonicContact OE1-NE 2.67Å; E204-R208 PolarHBondContact OE1-NE 3.39Å; E204-R208 IonicContact OE1-NH2 3.8Å; E204-R208 PolarHBondContact OE1-NH2 2.91Å; T205-R208 PolarHBondContact O-N 3.14Å; I206-R208 PolarHBondContact O-N 2.77Å; R208-L211 WeakPolarHBondContact O-CB 3.28Å; R208-L211 PolarHBondContact O-N 3.42Å; R208-Y212 PolarHBondContact O-N 3.45Å
209	I	96.4	Very high	94.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-42.4	177.7	-62.4	165.6	0	0	0	110.3	F143 V147 T185 L189 A190 T205 I206 L211 Y212 S213	F143-I209 HydrophobicContact CE1-CD1 4.03Å; F143-I209 HydrophobicContact CZ-CD1 3.69Å; V147-I209 HydrophobicContact CG1-CB 4Å; V147-I209 HydrophobicContact CG1-CG2 3.79Å; T185-I209 HydrophobicContact CG2-CD1 3.71Å; T185-I209 HydrophobicContact CG2-CG1 4.44Å; L189-I209 HydrophobicContact CB-CG1 4.33Å; L189-I209 HydrophobicContact CB-CG2 4.49Å; A190-I209 HydrophobicContact CB-CG1 3.93Å; T205-I209 HydrophobicContact CG2-CD1 3.92Å; T205-I209 HydrophobicContact CG2-CG1 4.46Å; T205-I209 VanDerWaalsContact O-CG1 3.27Å; T205-I209 WeakPolarHBondContact O-CG1 3.38Å; T205-I209 PolarHBondContact O-N 2.9Å; I206-I209 PolarHBondContact O-N 2.97Å; I209-L211 PolarHBondContact O-N 3.38Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 3.26Å; I209-S213 PolarHBondContact O-N 3.48Å
210	K	94.5	Very high	94	Very high	33 Å²	33	44.9 Å²	44.9	14%	0.143	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-48	172.3	-76.4	-179.6	174.5	-178.4	0	112	V147 F150 I206 Y212 S213 E214	V147-K210 HydrophobicContact CG1-CG 3.69Å; V147-K210 WeakPolarHBondContact O-CE 3.39Å; F150-K210 WeakPolarHBondContact O-CE 3.25Å; F150-K210 PolarHBondContact O-NZ 3.2Å; I206-K210 HydrophobicContact CG2-CD 4.48Å; I206-K210 WeakPolarHBondContact O-CG 3.34Å; I206-K210 PolarHBondContact O-N 2.97Å; K210-Y212 PolarHBondContact O-N 3.25Å; K210-S213 PolarHBondContact O-N 2.98Å; K210-S213 VanDerWaalsContact O-N 3.08Å; K210-E214 WeakPolarHBondContact O-CB 3.32Å; K210-E214 VanDerWaalsContact O-CG 3.3Å; K210-E214 WeakPolarHBondContact O-CG 3.28Å; K210-E214 PolarHBondContact O-N 2.91Å
211	L	93.9	Very high	93.6	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-54.9	-42.1	178.3	173.4	64.1	0	0	0	111.3	M82 N84 N207 R208 I209 S215	M82-L211 HydrophobicContact CG-CD1 4.19Å; M82-L211 HydrophobicContact CG-CD2 4.07Å; M82-L211 HydrophobicContact CG-CG 3.9Å; N84-L211 HydrophobicContact CB-CD1 3.72Å; N84-L211 WeakPolarHBondContact O-CD1 3.33Å; N207-L211 WeakPolarHBondContact O-CB 3.43Å; N207-L211 PolarHBondContact O-N 2.96Å; R208-L211 WeakPolarHBondContact O-CB 3.28Å; R208-L211 PolarHBondContact O-N 3.42Å; I209-L211 PolarHBondContact O-N 3.38Å; L211-S215 WeakPolarHBondContact O-CB 3.34Å; L211-S215 PolarHBondContact O-N 3.27Å; L211-S215 PolarHBondContact O-OG 3.01Å
212	Y	95.4	Very high	93.4	Very high	3 Å²	3	44 Å²	44	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-53.2	174.3	-171	-71.2	0	0	0	111.3	M82 S108 A188 L189 R208 I209 K210 E214 S215 L216 P223	M82-Y212 HydrophobicContact CE-CD2 4.16Å; S108-Y212 VanDerWaalsContact CB-OH 3.27Å; S108-Y212 WeakPolarHBondContact CB-OH 3.27Å; S108-Y212 PolarHBondContact OG-OH 2.83Å; A188-Y212 WeakPolarHBondContact O-CE2 3.2Å; L189-Y212 HydrophobicContact CD2-CD1 3.46Å; L189-Y212 VanDerWaalsContact CD2-CD1 3.46Å; L189-Y212 HydrophobicContact CD2-CD2 4.18Å; L189-Y212 HydrophobicContact CD2-CE1 3.52Å; L189-Y212 HydrophobicContact CD2-CE2 4.19Å; L189-Y212 HydrophobicContact CD2-CG 3.84Å; L189-Y212 WeakPolarHBondContact O-CB 3.16Å; L189-Y212 WeakPolarHBondContact O-CD2 3.43Å; R208-Y212 PolarHBondContact O-N 3.45Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 3.26Å; K210-Y212 PolarHBondContact O-N 3.25Å; Y212-E214 PolarHBondContact O-N 3.21Å; Y212-S215 WeakPolarHBondContact O-CB 3.42Å; Y212-S215 PolarHBondContact O-N 2.58Å; Y212-L216 PolarHBondContact O-N 3.4Å; Y212-P223 HydrophobicContact CD1-CB 4.42Å; Y212-P223 HydrophobicContact CD1-CG 4.22Å; Y212-P223 HydrophobicContact CD2-CG 3.86Å; Y212-P223 HydrophobicContact CE1-CB 4.43Å; Y212-P223 HydrophobicContact CE1-CG 3.88Å; Y212-P223 HydrophobicContact CE2-CG 3.54Å; Y212-P223 HydrophobicContact CG-CB 4.43Å; Y212-P223 HydrophobicContact CG-CG 4.19Å
213	S	92.6	Very high	93.4	Very high	35 Å²	35	44 Å²	44	25%	0.245	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-42.1	-178.2	-70.6	0	0	0	0	112.7	S121 I209 K210 L216 A217	S121-S213 PolarHBondContact O-OG 3.32Å; I209-S213 PolarHBondContact O-N 3.48Å; K210-S213 PolarHBondContact O-N 2.98Å; K210-S213 VanDerWaalsContact O-N 3.08Å; S213-L216 PolarHBondContact O-N 3.01Å; S213-A217 WeakPolarHBondContact O-CB 3.44Å; S213-A217 PolarHBondContact O-N 3.43Å
214	E	92.3	Very high	93.4	Very high	106 Å²	106	42.3 Å²	42.3	50%	0.495	22%	0.221	S	C	.	.	H	α-helix	trans	-66.9	-38.8	176.6	-68.4	172.7	-174.2	0	0	112.2	N84 K210 Y212 A217 R218	N84-E214 VanDerWaalsContact ND2-C 3.31Å; N84-E214 WeakPolarHBondContact ND2-CB 3.44Å; N84-E214 PolarHBondContact ND2-O 3.37Å; K210-E214 WeakPolarHBondContact O-CB 3.32Å; K210-E214 VanDerWaalsContact O-CG 3.3Å; K210-E214 WeakPolarHBondContact O-CG 3.28Å; K210-E214 PolarHBondContact O-N 2.91Å; Y212-E214 PolarHBondContact O-N 3.21Å; E214-A217 PolarHBondContact O-N 3.34Å; E214-R218 PolarHBondContact O-N 2.97Å
215	S	93.9	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-42.6	175.9	-69.4	0	0	0	0	111.2	M82 N84 L211 Y212 R218 P223	M82-S215 WeakPolarHBondContact CG-OG 3.12Å; M82-S215 VanDerWaalsContact SD-CB 3.52Å; M82-S215 PolarHBondContact SD-OG 3.03Å; M82-S215 VanDerWaalsContact SD-OG 3.36Å; N84-S215 WeakPolarHBondContact CB-OG 3.48Å; N84-S215 PolarHBondContact N-OG 3.21Å; L211-S215 WeakPolarHBondContact O-CB 3.34Å; L211-S215 PolarHBondContact O-N 3.27Å; L211-S215 PolarHBondContact O-OG 3.01Å; Y212-S215 WeakPolarHBondContact O-CB 3.42Å; Y212-S215 PolarHBondContact O-N 2.58Å; S215-R218 PolarHBondContact O-N 3.15Å; S215-P223 VanDerWaalsContact CB-CB 3.48Å
216	L	91.8	Very high	93.5	Very high	7 Å²	7	38 Å²	38	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-44.8	173.9	176.7	66.6	0	0	0	111.4	S121 T122 Y212 S213 R218 Y219 G220 S222 P223	S121-L216 WeakPolarHBondContact OG-CD2 3.36Å; T122-L216 HydrophobicContact CG2-CD2 4.42Å; Y212-L216 PolarHBondContact O-N 3.4Å; S213-L216 PolarHBondContact O-N 3.01Å; L216-R218 PolarHBondContact O-N 3.37Å; L216-R218 VanDerWaalsContact O-N 3.14Å; L216-Y219 PolarHBondContact O-N 3.31Å; L216-Y219 VanDerWaalsContact O-N 3.07Å; L216-G220 WeakPolarHBondContact O-CA 2.87Å; L216-G220 PolarHBondContact O-N 2.72Å; L216-S222 VanDerWaalsContact CD1-CA 3.49Å; L216-P223 HydrophobicContact CB-CB 4.29Å
217	A	90	Very high	93.5	Very high	86 Å²	86	38 Å²	38	71%	0.711	20%	0.201	S	C	*	.	H	α-helix	trans	-58.7	-28.6	-178.3	0	0	0	0	0	112.7	S213 E214	S213-A217 WeakPolarHBondContact O-CB 3.44Å; S213-A217 PolarHBondContact O-N 3.43Å; E214-A217 PolarHBondContact O-N 3.34Å
218	R	87.9	Confident	93.6	Very high	135 Å²	135	37.2 Å²	37.2	51%	0.509	20%	0.196	S	C	.	.	H	α-helix	trans	-66.4	-35.7	176.6	-174.5	174.4	-75.2	-176.7	0.5	113.5	A83 N84 E214 S215 L216	A83-R218 PolarHBondContact O-NH1 2.88Å; N84-R218 PolarHBondContact OD1-NE 2.95Å; N84-R218 PolarHBondContact OD1-NH1 3.04Å; N84-R218 PolarHBondContact OD1-NH2 3.19Å; N84-R218 VanDerWaalsContact OD1-NH2 3.17Å; E214-R218 PolarHBondContact O-N 2.97Å; S215-R218 PolarHBondContact O-N 3.15Å; L216-R218 PolarHBondContact O-N 3.37Å; L216-R218 VanDerWaalsContact O-N 3.14Å
219	Y	87.3	Confident	93.7	Very high	96 Å²	96	40.5 Å²	40.5	38%	0.376	21%	0.209	S	C	.	.	H	α-helix	trans	-127.1	-10.1	-169.2	-63.5	-64.9	0	0	0	115.5	A83 V104 L216 K221 L225	A83-Y219 HydrophobicContact CB-CD2 3.59Å; A83-Y219 HydrophobicContact CB-CE2 3.39Å; V104-Y219 HydrophobicContact CG1-CG 4.4Å; V104-Y219 HydrophobicContact CG2-CD1 3.49Å; V104-Y219 VanDerWaalsContact CG2-CD1 3.49Å; V104-Y219 HydrophobicContact CG2-CD2 4.28Å; V104-Y219 HydrophobicContact CG2-CE1 4.18Å; V104-Y219 HydrophobicContact CG2-CG 3.56Å; L216-Y219 PolarHBondContact O-N 3.31Å; L216-Y219 VanDerWaalsContact O-N 3.07Å; Y219-K221 PolarHBondContact O-N 2.82Å; Y219-L225 HydrophobicContact CD2-CD2 4.03Å; Y219-L225 HydrophobicContact CE1-CD2 4.48Å; Y219-L225 HydrophobicContact CE2-CD1 3.98Å; Y219-L225 HydrophobicContact CE2-CD2 3.69Å; Y219-L225 HydrophobicContact CE2-CG 4.07Å
220	G	83.8	Confident	93.7	Very high	54 Å²	54	40.5 Å²	40.5	56%	0.557	21%	0.209	S	C	*	.	S	Bend	trans	75.4	-23.9	169.2	0	0	0	0	0	117.4	L216	L216-G220 WeakPolarHBondContact O-CA 2.87Å; L216-G220 PolarHBondContact O-N 2.72Å
221	K	87.9	Confident	93.8	Very high	99 Å²	99	39.4 Å²	39.4	43%	0.43	21%	0.205	S	C	.	.	S	Bend	trans	-91.7	-58.6	-177.7	-68.1	-170	177.5	-176.6	0	113.2	V104 E106 Y219	V104-K221 HydrophobicContact CG1-CB 4.11Å; E106-K221 HydrophobicContact CB-CD 4.37Å; E106-K221 HydrophobicContact CG-CD 4.34Å; E106-K221 IonicContact OE1-NZ 2.77Å; E106-K221 PolarHBondContact OE1-NZ 3.41Å; Y219-K221 PolarHBondContact O-N 2.82Å
222	S	95.1	Very high	93.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	20%	0.201	C	C	.	.			trans	-146.5	167.3	175.4	84	0	0	0	0	108.4	V105 L216 Y224	V105-S222 WeakPolarHBondContact CB-OG 3.36Å; V105-S222 VanDerWaalsContact O-CB 3.23Å; V105-S222 WeakPolarHBondContact O-CB 3.36Å; V105-S222 PolarHBondContact O-OG 3.5Å; L216-S222 VanDerWaalsContact CD1-CA 3.49Å; S222-Y224 PolarHBondContact O-N 3.49Å; S222-Y224 PolarHBondContact OG-N 3.34Å
223	P	96.1	Very high	93.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-82.2	7.7	177.5	39.4	-41.6	0	0	0	113.1	M82 A83 Y212 S215 L216	M82-P223 HydrophobicContact CE-CG 4.48Å; M82-P223 HydrophobicContact SD-CB 3.65Å; M82-P223 HydrophobicContact SD-CG 4.17Å; A83-P223 WeakPolarHBondContact CB-O 3.34Å; A83-P223 PolarHBondContact N-O 3.02Å; Y212-P223 HydrophobicContact CD1-CB 4.42Å; Y212-P223 HydrophobicContact CD1-CG 4.22Å; Y212-P223 HydrophobicContact CD2-CG 3.86Å; Y212-P223 HydrophobicContact CE1-CB 4.43Å; Y212-P223 HydrophobicContact CE1-CG 3.88Å; Y212-P223 HydrophobicContact CE2-CG 3.54Å; Y212-P223 HydrophobicContact CG-CB 4.43Å; Y212-P223 HydrophobicContact CG-CG 4.19Å; S215-P223 VanDerWaalsContact CB-CB 3.48Å; L216-P223 HydrophobicContact CB-CB 4.29Å
224	Y	97.9	Very high	93.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.3	-167	-61.8	-60.1	0	0	0	112.9	F80 L81 M82 V105 L191 S222 Q318	F80-Y224 HydrophobicContact CB-CD1 3.76Å; F80-Y224 HydrophobicContact CB-CG 3.94Å; F80-Y224 HydrophobicContact CD2-CD2 4.41Å; F80-Y224 HydrophobicContact CD2-CG 4.21Å; F80-Y224 HydrophobicContact CG-CG 4.33Å; L81-Y224 CarbonylContact O-C 3.55Å; L81-Y224 WeakPolarHBondContact O-CA 3.42Å; M82-Y224 HydrophobicContact CE-CE1 3.93Å; V105-Y224 PolarHBondContact N-O 2.74Å; L191-Y224 HydrophobicContact CD1-CE1 4.3Å; L191-Y224 VanDerWaalsContact CD2-OH 3.31Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.39Å; S222-Y224 PolarHBondContact O-N 3.49Å; S222-Y224 PolarHBondContact OG-N 3.34Å; Y224-Q318 HydrophobicContact CD2-CB 4.01Å; Y224-Q318 HydrophobicContact CE2-CB 3.7Å; Y224-Q318 HydrophobicContact CE2-CG 3.79Å
225	L	98.1	Very high	93.9	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151.4	170.6	-61.2	176.3	0	0	0	110	L81 A83 V88 F102 K103 V104 Y219	L81-L225 HydrophobicContact CB-CB 4.22Å; L81-L225 WeakPolarHBondContact CD1-O 3.47Å; L81-L225 PolarHBondContact N-O 3.38Å; L81-L225 PolarHBondContact O-N 3.41Å; A83-L225 HydrophobicContact CB-CD1 4.41Å; A83-L225 HydrophobicContact CB-CG 4.34Å; V88-L225 HydrophobicContact CG2-CD1 4.44Å; F102-L225 HydrophobicContact CB-CB 4.42Å; F102-L225 HydrophobicContact CB-CD1 4.46Å; F102-L225 HydrophobicContact CD1-CB 4.23Å; K103-L225 WeakPolarHBondContact O-CA 3.35Å; V104-L225 HydrophobicContact CB-CD2 4.43Å; V104-L225 HydrophobicContact CG2-CD2 3.82Å; Y219-L225 HydrophobicContact CD2-CD2 4.03Å; Y219-L225 HydrophobicContact CE1-CD2 4.48Å; Y219-L225 HydrophobicContact CE2-CD1 3.98Å; Y219-L225 HydrophobicContact CE2-CD2 3.69Å; Y219-L225 HydrophobicContact CE2-CG 4.07Å
226	Y	98.3	Very high	93.7	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.1	171.6	-170.7	-98.8	0	0	0	109.5	D75 F80 K103 G230 L231 I337 H341 V343	D75-Y226 PolarHBondContact OD2-OH 3.31Å; F80-Y226 AromaticContact CD1-CD2 3.7Å; F80-Y226 HydrophobicContact CD1-CD2 3.7Å; F80-Y226 HydrophobicContact CD1-CG 4.14Å; F80-Y226 AromaticContact CE1-CD2 3.84Å; F80-Y226 HydrophobicContact CE1-CD2 3.84Å; F80-Y226 HydrophobicContact CE1-CG 4.09Å; K103-Y226 PolarHBondContact N-O 3.25Å; K103-Y226 PolarHBondContact O-N 3.18Å; Y226-G230 WeakPolarHBondContact OH-CA 3.3Å; Y226-L231 HydrophobicContact CD2-CD2 4.41Å; Y226-L231 HydrophobicContact CE2-CD1 4.36Å; Y226-L231 HydrophobicContact CE2-CD2 4.13Å; Y226-L231 HydrophobicContact CE2-CG 3.84Å; Y226-I337 HydrophobicContact CD1-CG2 3.86Å; Y226-I337 HydrophobicContact CD2-CG2 4.46Å; Y226-I337 HydrophobicContact CE1-CB 4.34Å; Y226-I337 HydrophobicContact CE1-CG1 4.21Å; Y226-I337 HydrophobicContact CE1-CG2 3.92Å; Y226-I337 HydrophobicContact CG-CG2 4.1Å; Y226-H341 HydrophobicContact CD1-CB 4.21Å; Y226-H341 AromaticContact CD1-CD2 3.71Å; Y226-H341 HydrophobicContact CE1-CB 4.42Å; Y226-V343 HydrophobicContact CE1-CG1 4.02Å
227	P	97.9	Very high	93.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	142.6	179.5	27.6	-34.3	0	0	0	111.3	D101 F102 G230 L231	D101-P227 CarbonylContact O-C 3.46Å; D101-P227 WeakPolarHBondContact O-CA 3.29Å; F102-P227 HydrophobicContact CD1-CB 4.24Å; F102-P227 HydrophobicContact CE1-CB 4.05Å; F102-P227 HydrophobicContact CE1-CG 4.45Å; P227-G230 VanDerWaalsContact CG-O 3.26Å; P227-G230 WeakPolarHBondContact CG-O 3.48Å; P227-G230 PolarHBondContact O-N 3.38Å; P227-L231 HydrophobicContact CG-CD2 3.9Å
228	L	98.1	Very high	93.8	Very high	39 Å²	39	34 Å²	34	20%	0.204	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	143.7	162.8	-62.9	-176.4	0	0	0	108.7	D101 K103 G230 H341	D101-L228 HydrophobicContact CB-CB 4.35Å; D101-L228 HydrophobicContact CB-CD1 3.79Å; D101-L228 HydrophobicContact CB-CG 4.13Å; D101-L228 PolarHBondContact O-N 3.25Å; K103-L228 HydrophobicContact CB-CD2 3.91Å; K103-L228 HydrophobicContact CD-CD2 4.09Å; L228-G230 PolarHBondContact O-N 2.61Å; L228-H341 CarbonylContact C-O 3.58Å; L228-H341 WeakPolarHBondContact CA-O 3.3Å
229	Y	97.9	Very high	93.9	Very high	111 Å²	111	28 Å²	28	44%	0.435	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	6.8	-175.2	-46.2	-79.3	0	0	0	115.6	N73 H341 N342	N73-Y229 VanDerWaalsContact CB-O 3.25Å; N73-Y229 WeakPolarHBondContact CB-O 3.29Å; Y229-H341 PolarHBondContact N-O 2.92Å; Y229-N342 HydrophobicContact CD1-CB 3.47Å; Y229-N342 VanDerWaalsContact CD1-CB 3.47Å; Y229-N342 HydrophobicContact CE1-CB 3.46Å; Y229-N342 VanDerWaalsContact CE1-CB 3.46Å; Y229-N342 WeakPolarHBondContact CE1-ND2 3.49Å; Y229-N342 HydrophobicContact CG-CB 4.16Å; Y229-N342 PolarHBondContact OH-ND2 3.47Å
230	G	97.4	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.			trans	88.2	177.9	172.5	0	0	0	0	0	114.2	Y226 P227 L228 G232 E233	Y226-G230 WeakPolarHBondContact OH-CA 3.3Å; P227-G230 VanDerWaalsContact CG-O 3.26Å; P227-G230 WeakPolarHBondContact CG-O 3.48Å; P227-G230 PolarHBondContact O-N 3.38Å; L228-G230 PolarHBondContact O-N 2.61Å; G230-G232 PolarHBondContact O-N 3.3Å; G230-E233 PolarHBondContact O-N 2.98Å
231	L	96.8	Very high	94.3	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.052	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.4	-173.9	-65.2	173.3	0	0	0	113.3	D75 K79 L81 Y226 P227 E233 L234 P235 F410	D75-L231 PolarHBondContact OD1-N 2.94Å; D75-L231 VanDerWaalsContact OD2-CB 3.23Å; D75-L231 WeakPolarHBondContact OD2-CB 3.49Å; D75-L231 WeakPolarHBondContact OD2-CD1 3.45Å; D75-L231 WeakPolarHBondContact OD2-CG 3.37Å; D75-L231 PolarHBondContact OD2-N 3.39Å; K79-L231 HydrophobicContact CB-CD1 4.49Å; L81-L231 HydrophobicContact CD1-CD2 4.39Å; Y226-L231 HydrophobicContact CD2-CD2 4.41Å; Y226-L231 HydrophobicContact CE2-CD1 4.36Å; Y226-L231 HydrophobicContact CE2-CD2 4.13Å; Y226-L231 HydrophobicContact CE2-CG 3.84Å; P227-L231 HydrophobicContact CG-CD2 3.9Å; L231-E233 PolarHBondContact O-N 3.43Å; L231-E233 VanDerWaalsContact O-N 3.13Å; L231-L234 HydrophobicContact CB-CD1 4.41Å; L231-L234 HydrophobicContact CD2-CD1 3.53Å; L231-L234 WeakPolarHBondContact O-CB 3.46Å; L231-L234 PolarHBondContact O-N 2.93Å; L231-P235 WeakPolarHBondContact O-CD 3.42Å; L231-F410 HydrophobicContact CD1-CE2 4.26Å; L231-F410 HydrophobicContact CD1-CZ 3.73Å; L231-F410 HydrophobicContact CD2-CE2 3.73Å; L231-F410 HydrophobicContact CD2-CZ 3.77Å; L231-F410 HydrophobicContact CG-CZ 4.39Å
232	G	94.4	Very high	94.1	Very high	9 Å²	9	23.7 Å²	23.7	9%	0.093	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.5	172.7	0	0	0	0	0	113.8	G230 L234 Q236	G230-G232 PolarHBondContact O-N 3.3Å; G232-L234 VanDerWaalsContact C-N 3.33Å; G232-Q236 WeakPolarHBondContact O-CG 3.33Å; G232-Q236 PolarHBondContact O-NE2 3.47Å
233	E	95.1	Very high	93.6	Very high	56 Å²	56	26.6 Å²	26.6	26%	0.262	13%	0.131	S	C	.	.	H	α-helix	trans	-70.5	-28.2	175.4	-65.8	-60.9	94.2	0	0	112.7	L100 G230 L231 Q236 G237	L100-E233 HydrophobicContact CD2-CB 3.67Å; L100-E233 WeakPolarHBondContact CD2-O 3.43Å; G230-E233 PolarHBondContact O-N 2.98Å; L231-E233 PolarHBondContact O-N 3.43Å; L231-E233 VanDerWaalsContact O-N 3.13Å; E233-Q236 PolarHBondContact O-N 3.06Å; E233-Q236 PolarHBondContact OE1-NE2 3.29Å; E233-G237 PolarHBondContact O-N 3.45Å
234	L	93.8	Very high	93.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-54.5	-178.3	-73.2	159.6	0	0	0	111.9	L14 L91 L100 F102 L231 G232 Q236 G237 F238	L14-L234 HydrophobicContact CD1-CB 3.54Å; L14-L234 HydrophobicContact CD1-CD1 3.87Å; L14-L234 HydrophobicContact CD1-CD2 4.46Å; L14-L234 HydrophobicContact CD1-CG 4.18Å; L14-L234 HydrophobicContact CD2-CD1 4.15Å; L91-L234 HydrophobicContact CD1-CD2 3.92Å; L91-L234 HydrophobicContact CD2-CD2 3.85Å; L100-L234 HydrophobicContact CD1-CD2 3.56Å; L100-L234 HydrophobicContact CD1-CG 4.48Å; F102-L234 HydrophobicContact CZ-CD2 4.44Å; L231-L234 HydrophobicContact CB-CD1 4.41Å; L231-L234 HydrophobicContact CD2-CD1 3.53Å; L231-L234 WeakPolarHBondContact O-CB 3.46Å; L231-L234 PolarHBondContact O-N 2.93Å; G232-L234 VanDerWaalsContact C-N 3.33Å; L234-Q236 VanDerWaalsContact C-N 3.26Å; L234-Q236 PolarHBondContact O-N 3.29Å; L234-G237 PolarHBondContact O-N 2.99Å; L234-F238 VanDerWaalsContact O-CD2 3.29Å; L234-F238 WeakPolarHBondContact O-CD2 3.4Å; L234-F238 PolarHBondContact O-N 3.32Å
235	P	91.6	Very high	92.8	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-54.7	-40.3	173	-28.9	36.2	0	0	0	113.5	Y39 L231 F238 A239	Y39-P235 HydrophobicContact CD1-CB 4.39Å; Y39-P235 HydrophobicContact CG-CB 4.38Å; L231-P235 WeakPolarHBondContact O-CD 3.42Å; P235-F238 PolarHBondContact O-N 3.44Å; P235-A239 WeakPolarHBondContact O-CB 3.39Å; P235-A239 PolarHBondContact O-N 2.83Å
236	Q	89.7	Confident	92	Very high	88 Å²	88	36.6 Å²	36.6	41%	0.411	19%	0.191	S	C	.	.	H	α-helix	trans	-64.8	-44	179.1	-68.9	176.1	66.3	0	0	112	Y39 G232 E233 L234 F238 A239 R240	Y39-Q236 HydrophobicContact CD2-CG 3.92Å; Y39-Q236 HydrophobicContact CE2-CG 4.36Å; G232-Q236 WeakPolarHBondContact O-CG 3.33Å; G232-Q236 PolarHBondContact O-NE2 3.47Å; E233-Q236 PolarHBondContact O-N 3.06Å; E233-Q236 PolarHBondContact OE1-NE2 3.29Å; L234-Q236 VanDerWaalsContact C-N 3.26Å; L234-Q236 PolarHBondContact O-N 3.29Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 2.61Å; Q236-A239 PolarHBondContact O-N 3.36Å; Q236-R240 PolarHBondContact O-N 3.23Å
237	G	93.1	Very high	91.4	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-43	174.6	0	0	0	0	0	111.8	V96 E233 L234 R240 L241	V96-G237 WeakPolarHBondContact CG2-O 3.39Å; E233-G237 PolarHBondContact O-N 3.45Å; L234-G237 PolarHBondContact O-N 2.99Å; G237-R240 PolarHBondContact O-N 3.47Å; G237-L241 WeakPolarHBondContact O-CB 3.46Å; G237-L241 PolarHBondContact O-N 3.3Å
238	F	92.1	Very high	91.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.6	-37.1	176.9	-84.3	-68.4	0	0	0	113.5	C17 I18 L91 T94 V96 L234 P235 Q236 R240 L241 S242	C17-F238 HydrophobicContact CB-CB 3.79Å; C17-F238 HydrophobicContact CB-CD2 4.15Å; C17-F238 HydrophobicContact CB-CG 4.12Å; C17-F238 WeakPolarHBondContact O-CD1 3.48Å; C17-F238 WeakPolarHBondContact O-CG 3.45Å; I18-F238 HydrophobicContact CB-CE2 4.31Å; I18-F238 HydrophobicContact CB-CZ 4.1Å; I18-F238 HydrophobicContact CD1-CE2 4.43Å; I18-F238 HydrophobicContact CG1-CD2 4.12Å; I18-F238 HydrophobicContact CG1-CE1 4.36Å; I18-F238 HydrophobicContact CG1-CE2 3.35Å; I18-F238 HydrophobicContact CG1-CZ 3.49Å; I18-F238 VanDerWaalsContact CG1-CZ 3.49Å; I18-F238 HydrophobicContact CG2-CZ 4.41Å; L91-F238 HydrophobicContact CD2-CE2 3.57Å; L91-F238 HydrophobicContact CD2-CZ 3.65Å; T94-F238 HydrophobicContact CG2-CE1 4.09Å; T94-F238 WeakPolarHBondContact OG1-CE1 3.46Å; V96-F238 HydrophobicContact CB-CE1 4.31Å; V96-F238 HydrophobicContact CB-CZ 4.34Å; V96-F238 HydrophobicContact CG1-CE1 4.19Å; V96-F238 HydrophobicContact CG1-CE2 4.02Å; V96-F238 HydrophobicContact CG1-CZ 3.75Å; V96-F238 HydrophobicContact CG2-CD1 4.4Å; V96-F238 HydrophobicContact CG2-CD2 4.36Å; V96-F238 HydrophobicContact CG2-CE2 4.49Å; V96-F238 HydrophobicContact CG2-CG 4.31Å; L234-F238 VanDerWaalsContact O-CD2 3.29Å; L234-F238 WeakPolarHBondContact O-CD2 3.4Å; L234-F238 PolarHBondContact O-N 3.32Å; P235-F238 PolarHBondContact O-N 3.44Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 2.61Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.92Å; F238-L241 HydrophobicContact CD1-CD2 4.08Å; F238-L241 HydrophobicContact CE1-CD2 4.22Å; F238-L241 PolarHBondContact O-N 2.89Å; F238-S242 WeakPolarHBondContact O-CB 3.28Å; F238-S242 PolarHBondContact O-N 2.99Å
239	A	88.5	Confident	90.8	Very high	9 Å²	9	39.2 Å²	39.2	7%	0.074	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-44.6	173.1	0	0	0	0	0	111.2	Y39 P235 Q236 S242 A243 Y249	Y39-A239 HydrophobicContact CE1-CB 3.93Å; P235-A239 WeakPolarHBondContact O-CB 3.39Å; P235-A239 PolarHBondContact O-N 2.83Å; Q236-A239 PolarHBondContact O-N 3.36Å; A239-S242 PolarHBondContact O-N 3.31Å; A239-A243 PolarHBondContact O-N 2.85Å; A239-A243 VanDerWaalsContact O-N 3.1Å; A239-Y249 HydrophobicContact CB-CD1 3.65Å; A239-Y249 HydrophobicContact CB-CD2 4.32Å; A239-Y249 HydrophobicContact CB-CE1 3.61Å; A239-Y249 HydrophobicContact CB-CE2 4.34Å; A239-Y249 HydrophobicContact CB-CG 3.97Å
240	R	90.1	Very high	90.7	Very high	152 Å²	152	36.2 Å²	36.2	57%	0.574	20%	0.197	S	C	*	.	H	α-helix	trans	-62.3	-45.3	174.2	-177.4	176.7	-177.8	174.4	0.3	112	Y99 Q236 G237 F238 A243 I244	Y99-R240 VanDerWaalsContact CE1-CZ 3.42Å; Y99-R240 HydrophobicContact CE2-CG 4.22Å; Q236-R240 PolarHBondContact O-N 3.23Å; G237-R240 PolarHBondContact O-N 3.47Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.92Å; R240-A243 PolarHBondContact O-N 3.31Å; R240-I244 WeakPolarHBondContact O-CG1 3.43Å; R240-I244 PolarHBondContact O-N 3.4Å
241	L	89.7	Confident	90.7	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-49.4	177.5	-178.7	71.3	0	0	0	111	V25 T94 V96 G237 F238 A243 I244 Y245	V25-L241 HydrophobicContact CG2-CD2 4.26Å; T94-L241 WeakPolarHBondContact O-CD1 3.09Å; T94-L241 WeakPolarHBondContact O-CD2 3.33Å; V96-L241 HydrophobicContact CB-CD2 4.49Å; G237-L241 WeakPolarHBondContact O-CB 3.46Å; G237-L241 PolarHBondContact O-N 3.3Å; F238-L241 HydrophobicContact CD1-CD2 4.08Å; F238-L241 HydrophobicContact CE1-CD2 4.22Å; F238-L241 PolarHBondContact O-N 2.89Å; L241-A243 VanDerWaalsContact C-N 3.28Å; L241-A243 PolarHBondContact O-N 3.36Å; L241-I244 WeakPolarHBondContact O-CB 3.41Å; L241-I244 PolarHBondContact O-N 3.29Å; L241-I244 VanDerWaalsContact O-N 3.09Å; L241-Y245 HydrophobicContact CD1-CD2 4.25Å; L241-Y245 HydrophobicContact CD1-CE2 3.79Å; L241-Y245 HydrophobicContact CG-CD2 4.41Å; L241-Y245 HydrophobicContact CG-CE2 4.37Å; L241-Y245 WeakPolarHBondContact O-CD2 3.47Å; L241-Y245 PolarHBondContact O-N 3.01Å
242	S	85	Confident	90.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-40.3	-179.2	-166.7	0	0	0	0	111.7	S24 F238 A239 I244 Y245 G246 G247	S24-S242 PolarHBondContact OG-OG 2.91Å; S24-S242 VanDerWaalsContact OG-OG 3.09Å; F238-S242 WeakPolarHBondContact O-CB 3.28Å; F238-S242 PolarHBondContact O-N 2.99Å; A239-S242 PolarHBondContact O-N 3.31Å; S242-I244 VanDerWaalsContact C-N 3.3Å; S242-I244 PolarHBondContact O-N 3.03Å; S242-Y245 CarbonylContact O-C 3.47Å; S242-Y245 PolarHBondContact O-N 3.44Å; S242-Y245 VanDerWaalsContact O-N 3.12Å; S242-G246 PolarHBondContact O-N 3.24Å; S242-G247 WeakPolarHBondContact O-CA 3.21Å; S242-G247 PolarHBondContact O-N 3.23Å
243	A	84.9	Confident	90.8	Very high	62 Å²	62	44.8 Å²	44.8	51%	0.512	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-35.3	175.9	0	0	0	0	0	113.5	A239 R240 L241 Y245 G246 G247	A239-A243 PolarHBondContact O-N 2.85Å; A239-A243 VanDerWaalsContact O-N 3.1Å; R240-A243 PolarHBondContact O-N 3.31Å; L241-A243 VanDerWaalsContact C-N 3.28Å; L241-A243 PolarHBondContact O-N 3.36Å; A243-Y245 VanDerWaalsContact C-N 3.27Å; A243-Y245 PolarHBondContact O-N 2.96Å; A243-G246 PolarHBondContact O-N 3.35Å; A243-G246 VanDerWaalsContact O-N 3.14Å; A243-G247 WeakPolarHBondContact CA-O 3.26Å
244	I	88.8	Confident	90.9	Very high	103 Å²	103	44.5 Å²	44.5	53%	0.528	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-35.2	176.7	-69.2	166.2	0	0	0	111.5	Y99 R240 L241 S242 G246	Y99-I244 WeakPolarHBondContact OH-CD1 3.41Å; R240-I244 WeakPolarHBondContact O-CG1 3.43Å; R240-I244 PolarHBondContact O-N 3.4Å; L241-I244 WeakPolarHBondContact O-CB 3.41Å; L241-I244 PolarHBondContact O-N 3.29Å; L241-I244 VanDerWaalsContact O-N 3.09Å; S242-I244 VanDerWaalsContact C-N 3.3Å; S242-I244 PolarHBondContact O-N 3.03Å; I244-G246 VanDerWaalsContact C-N 3.28Å; I244-G246 PolarHBondContact O-N 3.2Å
245	Y	87.1	Confident	91.1	Very high	64 Å²	64	46.3 Å²	46.3	25%	0.251	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	14.1	178	-72.7	-88.4	0	0	0	113	V25 L241 S242 A243 G247 F442	V25-Y245 HydrophobicContact CG2-CD2 4.32Å; V25-Y245 HydrophobicContact CG2-CE2 3.8Å; L241-Y245 HydrophobicContact CD1-CD2 4.25Å; L241-Y245 HydrophobicContact CD1-CE2 3.79Å; L241-Y245 HydrophobicContact CG-CD2 4.41Å; L241-Y245 HydrophobicContact CG-CE2 4.37Å; L241-Y245 WeakPolarHBondContact O-CD2 3.47Å; L241-Y245 PolarHBondContact O-N 3.01Å; S242-Y245 CarbonylContact O-C 3.47Å; S242-Y245 PolarHBondContact O-N 3.44Å; S242-Y245 VanDerWaalsContact O-N 3.12Å; A243-Y245 VanDerWaalsContact C-N 3.27Å; A243-Y245 PolarHBondContact O-N 2.96Å; Y245-G247 VanDerWaalsContact C-N 3.34Å; Y245-F442 HydrophobicContact CE1-CZ 4.16Å; Y245-F442 WeakPolarHBondContact OH-CE2 3.41Å; Y245-F442 VanDerWaalsContact OH-CZ 3.32Å; Y245-F442 WeakPolarHBondContact OH-CZ 3.5Å
246	G	82.4	Confident	91.3	Very high	50 Å²	50	50.3 Å²	50.3	52%	0.515	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	11.3	178.2	0	0	0	0	0	114.8	S242 A243 I244	S242-G246 PolarHBondContact O-N 3.24Å; A243-G246 PolarHBondContact O-N 3.35Å; A243-G246 VanDerWaalsContact O-N 3.14Å; I244-G246 VanDerWaalsContact C-N 3.28Å; I244-G246 PolarHBondContact O-N 3.2Å
247	G	85.8	Confident	91.7	Very high	8 Å²	8	50.6 Å²	50.6	8%	0.082	28%	0.278	C	S	.	.			trans	-70.4	147.2	170.7	0	0	0	0	0	111.8	V30 S242 A243 Y245	V30-G247 VanDerWaalsContact O-CA 3.26Å; V30-G247 WeakPolarHBondContact O-CA 3.42Å; S242-G247 WeakPolarHBondContact O-CA 3.21Å; S242-G247 PolarHBondContact O-N 3.23Å; A243-G247 WeakPolarHBondContact CA-O 3.26Å; Y245-G247 VanDerWaalsContact C-N 3.34Å
248	T	90.4	Very high	91.9	Very high	49 Å²	49	51.7 Å²	51.7	30%	0.301	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.5	-179.8	-58.5	0	0	0	0	110	V30 L31 H32 M250	V30-T248 PolarHBondContact O-N 3.45Å; L31-T248 HydrophobicContact CD1-CG2 4.1Å; H32-T248 PolarHBondContact N-O 3.17Å; T248-M250 HydrophobicContact CG2-CE 3.53Å; T248-M250 HydrophobicContact CG2-CG 4.13Å
249	Y	93.1	Very high	92.2	Very high	40 Å²	40	53.3 Å²	53.3	16%	0.157	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.9	174.4	-93.7	-109.6	0	0	0	110.7	T12 H32 Y39 A239	T12-Y249 HydrophobicContact CG2-CD1 4.43Å; T12-Y249 HydrophobicContact CG2-CE1 4.19Å; H32-Y249 HydrophobicContact CB-CD1 4Å; H32-Y249 HydrophobicContact CB-CD2 3.69Å; H32-Y249 HydrophobicContact CB-CE1 3.96Å; H32-Y249 HydrophobicContact CB-CE2 3.55Å; H32-Y249 HydrophobicContact CB-CG 3.93Å; H32-Y249 AromaticContact CD2-CE1 3.8Å; H32-Y249 AromaticContact CE1-CE1 3.79Å; H32-Y249 AromaticContact CE1-CZ 3.65Å; H32-Y249 PolarHBondContact CE1-OH 3.29Å; H32-Y249 VanDerWaalsContact CE1-OH 3.28Å; H32-Y249 AromaticContact CG-CD1 3.96Å; H32-Y249 AromaticContact CG-CE1 3.5Å; H32-Y249 AromaticContact CG-CE2 3.77Å; H32-Y249 AromaticContact CG-CZ 3.43Å; H32-Y249 VanDerWaalsContact CG-CZ 3.43Å; H32-Y249 AromaticContact ND1-CE1 3.52Å; H32-Y249 AromaticContact ND1-CE2 3.64Å; H32-Y249 AromaticContact ND1-CZ 3.08Å; H32-Y249 PolarHBondContact ND1-OH 2.97Å; H32-Y249 AromaticContact NE2-CE1 3.94Å; H32-Y249 CarbonylContact O-C 3.57Å; H32-Y249 VanDerWaalsContact O-CA 3.27Å; H32-Y249 WeakPolarHBondContact O-CA 3.01Å; Y39-Y249 AromaticContact CE1-CD1 3.84Å; Y39-Y249 HydrophobicContact CE1-CD1 3.84Å; Y39-Y249 HydrophobicContact CE1-CE1 4.18Å; A239-Y249 HydrophobicContact CB-CD1 3.65Å; A239-Y249 HydrophobicContact CB-CD2 4.32Å; A239-Y249 HydrophobicContact CB-CE1 3.61Å; A239-Y249 HydrophobicContact CB-CE2 4.34Å; A239-Y249 HydrophobicContact CB-CG 3.97Å
250	M	95.1	Very high	92.6	Very high	47 Å²	47	55.9 Å²	55.9	23%	0.232	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	106.8	179.6	-58.4	-170.6	-177.2	0	0	110.6	L31 H32 M33 D34 T248 K253	L31-M250 HydrophobicContact CD1-CE 3.91Å; L31-M250 HydrophobicContact CD1-CG 4.28Å; L31-M250 HydrophobicContact CD1-SD 4.15Å; H32-M250 PolarHBondContact O-N 3.27Å; M33-M250 CarbonylContact C-O 3.58Å; M33-M250 VanDerWaalsContact CA-O 3.31Å; M33-M250 WeakPolarHBondContact CA-O 3.46Å; M33-M250 HydrophobicContact CG-CB 4.24Å; D34-M250 PolarHBondContact N-O 2.94Å; T248-M250 HydrophobicContact CG2-CE 3.53Å; T248-M250 HydrophobicContact CG2-CG 4.13Å; M250-K253 HydrophobicContact CB-CB 4.04Å; M250-K253 HydrophobicContact CB-CG 4.24Å; M250-K253 HydrophobicContact SD-CG 4.42Å
251	L	96.4	Very high	93	Very high	53 Å²	53	54.8 Å²	54.8	28%	0.277	31%	0.305	S	S	.	.	S	Bend	trans	-86.1	165	169.1	-64.9	-177.3	0	0	0	111	T12 D34 Y39 K253	T12-L251 HydrophobicContact CG2-CD2 4.13Å; D34-L251 HydrophobicContact CB-CD2 3.61Å; D34-L251 CarbonylContact O-C 3.5Å; Y39-L251 HydrophobicContact CD1-CD1 4.37Å; Y39-L251 HydrophobicContact CD1-CD2 3.92Å; Y39-L251 HydrophobicContact CD2-CD1 4.02Å; Y39-L251 HydrophobicContact CE1-CD1 4.09Å; Y39-L251 HydrophobicContact CE1-CD2 3.81Å; Y39-L251 HydrophobicContact CE1-CG 4.11Å; Y39-L251 HydrophobicContact CE2-CD1 3.72Å; Y39-L251 HydrophobicContact CG-CD1 4.33Å; Y39-L251 HydrophobicContact CG-CD2 4.48Å; L251-K253 PolarHBondContact O-N 3.12Å
252	N	96.9	Very high	93.2	Very high	105 Å²	105	58.8 Å²	58.8	56%	0.561	35%	0.348	S	S	*	.	S	Bend	trans	52.6	36.1	-180	-165.8	55.7	0	0	0	112.2	D34 N36 P37	D34-N252 PolarHBondContact O-N 3.05Å; D34-N252 VanDerWaalsContact O-N 3.12Å; N36-N252 PolarHBondContact O-N 3.01Å; P37-N252 HydrophobicContact CB-CB 4.18Å
253	K	97.1	Very high	93.7	Very high	41 Å²	41	61.2 Å²	61.2	18%	0.178	37%	0.373	C	S	.	.			trans	-116.2	98.9	-175.1	-166.8	66	173.1	179.7	0	108.5	M33 D34 M250 L251 S270 E271	M33-K253 HydrophobicContact CE-CB 4.34Å; M33-K253 HydrophobicContact CE-CG 3.5Å; D34-K253 PolarHBondContact O-N 3.41Å; M250-K253 HydrophobicContact CB-CB 4.04Å; M250-K253 HydrophobicContact CB-CG 4.24Å; M250-K253 HydrophobicContact SD-CG 4.42Å; L251-K253 PolarHBondContact O-N 3.12Å; K253-S270 WeakPolarHBondContact CE-OG 3.47Å; K253-S270 WeakPolarHBondContact CG-OG 3.5Å; K253-E271 IonicContact NZ-OE2 3.01Å; K253-E271 PolarHBondContact NZ-OE2 3.19Å
254	P	97.1	Very high	94.3	Very high	51 Å²	51	63 Å²	63	33%	0.331	37%	0.369	S	S	.	.			trans	-65.6	147.3	-176.3	28.2	-34.5	0	0	0	110.6	S270 E271	P254-S270 WeakPolarHBondContact O-CB 3.36Å; P254-S270 PolarHBondContact O-OG 2.86Å; P254-E271 WeakPolarHBondContact CD-OE1 3.44Å; P254-E271 HydrophobicContact CG-CG 3.97Å
255	V	97.7	Very high	94.8	Very high	38 Å²	38	58.2 Å²	58.2	23%	0.23	35%	0.345	C	S	.	.			trans	-101.8	112.9	172.7	173.8	0	0	0	0	107.5	L10 M33 I258 V268 Y286	L10-V255 HydrophobicContact CD1-CG1 4.29Å; L10-V255 HydrophobicContact CD1-CG2 4.17Å; L10-V255 HydrophobicContact CD2-CG2 3.83Å; M33-V255 HydrophobicContact CE-CG2 4.48Å; V255-I258 HydrophobicContact CG1-CG1 4.42Å; V255-V268 HydrophobicContact CB-CG1 4.42Å; V255-V268 HydrophobicContact CG1-CG1 3.62Å; V255-V268 HydrophobicContact CG2-CG1 4.09Å; V255-Y286 HydrophobicContact CB-CD1 4.21Å; V255-Y286 HydrophobicContact CB-CE1 4.18Å; V255-Y286 HydrophobicContact CG2-CD1 4.04Å; V255-Y286 HydrophobicContact CG2-CE1 3.69Å
256	D	96.9	Very high	95.3	Very high	88 Å²	88	56.8 Å²	56.8	47%	0.471	34%	0.341	S	S	.	.			trans	-80.2	-39.5	-178.8	-60.7	-29.8	0	0	0	111	K269 E271 G272	D256-K269 HydrophobicContact CB-CB 4.44Å; D256-K269 HydrophobicContact CB-CD 4.49Å; D256-K269 HydrophobicContact CB-CG 4.28Å; D256-K269 PolarHBondContact N-O 3.1Å; D256-E271 PolarHBondContact OD2-N 2.77Å; D256-G272 PolarHBondContact OD2-N 2.74Å
257	D	97.4	Very high	96	Very high	94 Å²	94	54.4 Å²	54.4	50%	0.503	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	149.4	-177.5	-163.3	16.2	0	0	0	112.1	K269	D257-K269 HydrophobicContact CB-CB 4.04Å; D257-K269 PolarHBondContact N-O 2.61Å; D257-K269 PolarHBondContact O-N 3.11Å
258	I	98.1	Very high	96.6	Very high	27 Å²	27	54.1 Å²	54.1	14%	0.138	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109.8	168.1	-65.2	168.2	0	0	0	106.8	L10 V255 M260 V265 L280 I287	L10-I258 HydrophobicContact CD1-CD1 4.29Å; L10-I258 HydrophobicContact CD1-CG1 4.36Å; V255-I258 HydrophobicContact CG1-CG1 4.42Å; I258-M260 HydrophobicContact CG2-SD 3.93Å; I258-M260 PolarHBondContact O-N 3.03Å; I258-V265 HydrophobicContact CG2-CG2 3.87Å; I258-L280 HydrophobicContact CD1-CD2 3.86Å; I258-L280 HydrophobicContact CG1-CD2 4.07Å; I258-L280 HydrophobicContact CG2-CD2 3.61Å; I258-I287 HydrophobicContact CD1-CG2 3.52Å
259	V	97.6	Very high	97	Very high	34 Å²	34	55.7 Å²	55.7	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.8	-170.7	-169.7	0	0	0	0	109.7	I266 G267 K269 V274	V259-I266 HydrophobicContact CB-CG1 4.05Å; V259-I266 HydrophobicContact CG1-CD1 3.74Å; V259-I266 HydrophobicContact CG1-CG1 3.68Å; V259-I266 WeakPolarHBondContact O-CG1 3.49Å; V259-I266 PolarHBondContact O-N 3.31Å; V259-G267 PolarHBondContact N-O 3.36Å; V259-K269 HydrophobicContact CG2-CB 4.25Å; V259-V274 HydrophobicContact CG2-CG1 4.17Å
260	M	97.5	Very high	97.1	Very high	63 Å²	63	54 Å²	54	31%	0.31	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.1	180	-54.9	-64.4	-71.7	0	0	110.8	I258 G263 K264 V265 V398	I258-M260 HydrophobicContact CG2-SD 3.93Å; I258-M260 PolarHBondContact O-N 3.03Å; M260-G263 VanDerWaalsContact CE-O 3.24Å; M260-G263 WeakPolarHBondContact CE-O 3.45Å; M260-K264 CarbonylContact C-O 3.54Å; M260-K264 WeakPolarHBondContact CA-O 3.28Å; M260-V265 HydrophobicContact CE-CB 4.41Å; M260-V265 VanDerWaalsContact SD-CA 3.53Å; M260-V265 HydrophobicContact SD-CB 3.73Å; M260-V265 HydrophobicContact SD-CG2 4.15Å; M260-V398 HydrophobicContact CE-CG2 4.14Å; M260-V398 HydrophobicContact SD-CG2 4.16Å
261	E	97.1	Very high	97.1	Very high	128 Å²	128	57.3 Å²	57.3	60%	0.598	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.2	172.2	-171.7	176.4	-174.7	0	0	109.3	G263 K264 I266	E261-G263 PolarHBondContact O-N 2.95Å; E261-K264 PolarHBondContact N-O 3.13Å; E261-K264 PolarHBondContact O-N 3.08Å; E261-I266 HydrophobicContact CB-CD1 3.92Å; E261-I266 HydrophobicContact CB-CG1 4.26Å; E261-I266 HydrophobicContact CB-CG2 3.88Å
262	G	95.3	Very high	97	Very high	90 Å²	90	57.5 Å²	57.5	93%	0.928	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	28.1	-177.2	0	0	0	0	0	114.2	K264	G262-K264 VanDerWaalsContact C-N 3.29Å; G262-K264 PolarHBondContact O-N 3.22Å
263	G	95	Very high	96.8	Very high	50 Å²	50	56.9 Å²	56.9	52%	0.515	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-0.4	-177.1	0	0	0	0	0	115	M260 E261 S396	M260-G263 VanDerWaalsContact CE-O 3.24Å; M260-G263 WeakPolarHBondContact CE-O 3.45Å; E261-G263 PolarHBondContact O-N 2.95Å; G263-S396 WeakPolarHBondContact O-CA 3.44Å
264	K	98.1	Very high	96.8	Very high	101 Å²	101	57.4 Å²	57.4	44%	0.439	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144	-178.6	-168.9	-176.7	-174.7	-177.7	0	111.2	M260 E261 G262 S396 Q397	M260-K264 CarbonylContact C-O 3.54Å; M260-K264 WeakPolarHBondContact CA-O 3.28Å; E261-K264 PolarHBondContact N-O 3.13Å; E261-K264 PolarHBondContact O-N 3.08Å; G262-K264 VanDerWaalsContact C-N 3.29Å; G262-K264 PolarHBondContact O-N 3.22Å; K264-S396 CarbonylContact C-O 3.6Å; K264-S396 WeakPolarHBondContact CA-O 3.29Å; K264-Q397 HydrophobicContact CD-CG 4.25Å; K264-Q397 HydrophobicContact CG-CB 4.21Å; K264-Q397 HydrophobicContact CG-CG 4Å
265	V	98.3	Very high	96.8	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.6	174.1	69.9	0	0	0	0	111	I258 M260 L280 S396 Q397 V398	I258-V265 HydrophobicContact CG2-CG2 3.87Å; M260-V265 HydrophobicContact CE-CB 4.41Å; M260-V265 VanDerWaalsContact SD-CA 3.53Å; M260-V265 HydrophobicContact SD-CB 3.73Å; M260-V265 HydrophobicContact SD-CG2 4.15Å; V265-L280 HydrophobicContact CG1-CB 4.03Å; V265-L280 HydrophobicContact CG2-CB 4.12Å; V265-L280 HydrophobicContact CG2-CD2 4.21Å; V265-S396 PolarHBondContact N-O 2.85Å; V265-Q397 HydrophobicContact CG1-CB 3.89Å; V265-Q397 VanDerWaalsContact CG1-O 3.32Å; V265-Q397 WeakPolarHBondContact CG1-O 3.37Å; V265-V398 HydrophobicContact CB-CG2 3.86Å; V265-V398 HydrophobicContact CG1-CG2 4.19Å; V265-V398 HydrophobicContact CG2-CG2 4.5Å
266	I	97.9	Very high	96.8	Very high	33 Å²	33	59.7 Å²	59.7	17%	0.169	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-8.7	174.8	61.6	159	0	0	0	113.3	V259 E261 R276 C277	V259-I266 HydrophobicContact CB-CG1 4.05Å; V259-I266 HydrophobicContact CG1-CD1 3.74Å; V259-I266 HydrophobicContact CG1-CG1 3.68Å; V259-I266 WeakPolarHBondContact O-CG1 3.49Å; V259-I266 PolarHBondContact O-N 3.31Å; E261-I266 HydrophobicContact CB-CD1 3.92Å; E261-I266 HydrophobicContact CB-CG1 4.26Å; E261-I266 HydrophobicContact CB-CG2 3.88Å; I266-R276 VanDerWaalsContact O-CA 3.29Å; I266-R276 WeakPolarHBondContact O-CA 3.42Å; I266-C277 CarbonylContact C-O 3.57Å; I266-C277 PolarHBondContact O-N 3.35Å
267	G	97.8	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	-179.5	177.5	0	0	0	0	0	114	V259 A275	V259-G267 PolarHBondContact N-O 3.36Å; G267-A275 CarbonylContact C-O 3.37Å; G267-A275 WeakPolarHBondContact CA-O 3.41Å
268	V	98.2	Very high	96.9	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.6	176.6	178.9	0	0	0	0	108.9	I8 L10 V255 V274 A275 L280	I8-V268 HydrophobicContact CB-CG2 4.39Å; I8-V268 HydrophobicContact CD1-CB 4.16Å; I8-V268 HydrophobicContact CD1-CG2 4.04Å; I8-V268 HydrophobicContact CG2-CB 4.42Å; I8-V268 HydrophobicContact CG2-CG2 3.79Å; L10-V268 HydrophobicContact CD1-CG1 4.45Å; L10-V268 HydrophobicContact CD1-CG2 4.26Å; L10-V268 HydrophobicContact CD2-CG1 4.26Å; L10-V268 HydrophobicContact CD2-CG2 4.45Å; V255-V268 HydrophobicContact CB-CG1 4.42Å; V255-V268 HydrophobicContact CG1-CG1 3.62Å; V255-V268 HydrophobicContact CG2-CG1 4.09Å; V268-V274 WeakPolarHBondContact O-CA 3.14Å; V268-A275 PolarHBondContact N-O 2.7Å; V268-A275 PolarHBondContact O-N 2.82Å; V268-L280 HydrophobicContact CG2-CD1 3.83Å; V268-L280 HydrophobicContact CG2-CD2 4.49Å
269	K	97.5	Very high	96.9	Very high	82 Å²	82	56.6 Å²	56.6	36%	0.357	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.3	176	-170.1	179.6	178.1	-177	0	110.5	D256 D257 V259 E273 V274	D256-K269 HydrophobicContact CB-CB 4.44Å; D256-K269 HydrophobicContact CB-CD 4.49Å; D256-K269 HydrophobicContact CB-CG 4.28Å; D256-K269 PolarHBondContact N-O 3.1Å; D257-K269 HydrophobicContact CB-CB 4.04Å; D257-K269 PolarHBondContact N-O 2.61Å; D257-K269 PolarHBondContact O-N 3.11Å; V259-K269 HydrophobicContact CG2-CB 4.25Å; K269-E273 CarbonylContact C-O 3.44Å; K269-E273 VanDerWaalsContact CA-O 3.25Å; K269-E273 WeakPolarHBondContact CA-O 3.37Å; K269-E273 WeakPolarHBondContact CG-O 3.37Å; K269-V274 HydrophobicContact CB-CG2 4.1Å; K269-V274 HydrophobicContact CD-CG2 4.47Å; K269-V274 HydrophobicContact CG-CG2 4Å
270	S	96.9	Very high	97	Very high	6 Å²	6	55 Å²	55	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	126.2	178	178.7	0	0	0	0	110.3	K253 P254 G272 E273	K253-S270 WeakPolarHBondContact CE-OG 3.47Å; K253-S270 WeakPolarHBondContact CG-OG 3.5Å; P254-S270 WeakPolarHBondContact O-CB 3.36Å; P254-S270 PolarHBondContact O-OG 2.86Å; S270-G272 PolarHBondContact O-N 2.8Å; S270-E273 PolarHBondContact N-O 2.95Å; S270-E273 PolarHBondContact O-N 3.08Å
271	E	94.9	Very high	97.1	Very high	115 Å²	115	52 Å²	52	54%	0.537	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	37.3	177.6	-60.4	176.4	175.3	0	0	112.8	K253 P254 D256 E273	K253-E271 IonicContact NZ-OE2 3.01Å; K253-E271 PolarHBondContact NZ-OE2 3.19Å; P254-E271 WeakPolarHBondContact CD-OE1 3.44Å; P254-E271 HydrophobicContact CG-CG 3.97Å; D256-E271 PolarHBondContact OD2-N 2.77Å; E271-E273 VanDerWaalsContact C-N 3.31Å; E271-E273 PolarHBondContact O-N 2.83Å
272	G	93	Very high	97.1	Very high	57 Å²	57	45.9 Å²	45.9	59%	0.588	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-5.7	179.6	0	0	0	0	0	115.8	D256 S270	D256-G272 PolarHBondContact OD2-N 2.74Å; S270-G272 PolarHBondContact O-N 2.8Å
273	E	94.3	Very high	97.3	Very high	93 Å²	93	42.7 Å²	42.7	44%	0.435	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	153.6	175.2	-56.3	-163.5	136	0	0	111.7	M1 K269 S270 E271	M1-E273 PolarHBondContact N-OE1 2.82Å; M1-E273 PolarHBondContact N-OE2 3.46Å; K269-E273 CarbonylContact C-O 3.44Å; K269-E273 VanDerWaalsContact CA-O 3.25Å; K269-E273 WeakPolarHBondContact CA-O 3.37Å; K269-E273 WeakPolarHBondContact CG-O 3.37Å; S270-E273 PolarHBondContact N-O 2.95Å; S270-E273 PolarHBondContact O-N 3.08Å; E271-E273 VanDerWaalsContact C-N 3.31Å; E271-E273 PolarHBondContact O-N 2.83Å
274	V	96.4	Very high	97.4	Very high	52 Å²	52	40.9 Å²	40.9	32%	0.315	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118	176.6	180	0	0	0	0	109.8	V259 V268 K269	V259-V274 HydrophobicContact CG2-CG1 4.17Å; V268-V274 WeakPolarHBondContact O-CA 3.14Å; K269-V274 HydrophobicContact CB-CG2 4.1Å; K269-V274 HydrophobicContact CD-CG2 4.47Å; K269-V274 HydrophobicContact CG-CG2 4Å
275	A	97.1	Very high	97.4	Very high	16 Å²	16	38.9 Å²	38.9	13%	0.132	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.6	168	0	0	0	0	0	109	Y5 I8 L31 G267 V268	Y5-A275 HydrophobicContact CD2-CB 4.35Å; Y5-A275 HydrophobicContact CE2-CB 4.21Å; I8-A275 HydrophobicContact CD1-CB 3.91Å; I8-A275 WeakPolarHBondContact CD1-O 3.42Å; L31-A275 HydrophobicContact CD2-CB 3.65Å; G267-A275 CarbonylContact C-O 3.37Å; G267-A275 WeakPolarHBondContact CA-O 3.41Å; V268-A275 PolarHBondContact N-O 2.7Å; V268-A275 PolarHBondContact O-N 2.82Å
276	R	98	Very high	97.4	Very high	121 Å²	121	39.7 Å²	39.7	46%	0.457	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	145.7	-177.6	-65.4	-172.4	70.7	93.3	3	111.3	E3 E4 Y5 I266	E3-R276 PolarHBondContact O-N 3.36Å; E4-R276 HydrophobicContact CB-CB 4.48Å; E4-R276 HydrophobicContact CG-CB 4.27Å; Y5-R276 PolarHBondContact N-O 3.04Å; I266-R276 VanDerWaalsContact O-CA 3.29Å; I266-R276 WeakPolarHBondContact O-CA 3.42Å
277	C	98	Very high	97.4	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164.4	174	69.6	0	0	0	0	113.8	Y5 I8 I266 Q279	Y5-C277 VanDerWaalsContact O-CA 3.3Å; Y5-C277 WeakPolarHBondContact O-CA 3.35Å; I8-C277 HydrophobicContact CB-CB 4.14Å; I8-C277 HydrophobicContact CD1-CB 3.63Å; I8-C277 HydrophobicContact CG1-CB 3.63Å; I266-C277 CarbonylContact C-O 3.57Å; I266-C277 PolarHBondContact O-N 3.35Å; C277-Q279 PolarHBondContact SG-O 3.06Å; C277-Q279 VanDerWaalsContact SG-O 3.4Å
278	K	98.1	Very high	97.3	Very high	104 Å²	104	43.1 Å²	43.1	45%	0.452	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-31.7	173.2	-59.4	170.3	-172.7	157.2	0	112.2	D6	D6-K278 WeakPolarHBondContact O-CB 3.34Å; D6-K278 PolarHBondContact O-N 2.84Å; D6-K278 IonicContact OD1-NZ 2.77Å; D6-K278 PolarHBondContact OD1-NZ 2.97Å
279	Q	98.6	Very high	97.2	Very high	30 Å²	30	50.7 Å²	50.7	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.9	-179.7	-59.2	-175.4	-63.8	0	0	110.2	D6 V7 I8 C277 Q397 F399 M424	D6-Q279 PolarHBondContact O-N 3.26Å; V7-Q279 WeakPolarHBondContact CA-O 3.31Å; I8-Q279 PolarHBondContact N-O 2.85Å; C277-Q279 PolarHBondContact SG-O 3.06Å; C277-Q279 VanDerWaalsContact SG-O 3.4Å; Q279-Q397 HydrophobicContact CG-CB 4.45Å; Q279-F399 HydrophobicContact CB-CE2 4.13Å; Q279-F399 HydrophobicContact CG-CE2 4.15Å; Q279-M424 HydrophobicContact CB-CE 4.19Å; Q279-M424 PolarHBondContact NE2-O 3.18Å
280	L	98.8	Very high	97.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.3	176.7	-179.6	64.8	0	0	0	109.7	I8 L10 I258 V265 V268 Q397 V398 F399	I8-L280 HydrophobicContact CB-CD1 3.91Å; I8-L280 HydrophobicContact CG2-CD1 3.71Å; I8-L280 CarbonylContact O-C 3.53Å; I8-L280 WeakPolarHBondContact O-CA 3.31Å; I8-L280 WeakPolarHBondContact O-CD1 3.25Å; L10-L280 HydrophobicContact CD1-CD1 3.86Å; L10-L280 HydrophobicContact CD1-CD2 4.31Å; L10-L280 HydrophobicContact CG-CD1 3.77Å; I258-L280 HydrophobicContact CD1-CD2 3.86Å; I258-L280 HydrophobicContact CG1-CD2 4.07Å; I258-L280 HydrophobicContact CG2-CD2 3.61Å; V265-L280 HydrophobicContact CG1-CB 4.03Å; V265-L280 HydrophobicContact CG2-CB 4.12Å; V265-L280 HydrophobicContact CG2-CD2 4.21Å; V268-L280 HydrophobicContact CG2-CD1 3.83Å; V268-L280 HydrophobicContact CG2-CD2 4.49Å; L280-Q397 PolarHBondContact N-O 3.11Å; L280-V398 HydrophobicContact CB-CG2 4.44Å; L280-V398 HydrophobicContact CD2-CG1 4.16Å; L280-V398 HydrophobicContact CD2-CG2 4.27Å; L280-F399 PolarHBondContact O-N 3.49Å
281	I	98.8	Very high	97.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.4	167.1	-51.1	178.9	0	0	0	107.8	V7 I8 V9 L10 E16 L19 F399 M424	V7-I281 HydrophobicContact CG1-CD1 4.01Å; V7-I281 HydrophobicContact CG1-CG1 3.95Å; I8-I281 PolarHBondContact O-N 3.41Å; V9-I281 CarbonylContact C-O 3.53Å; V9-I281 VanDerWaalsContact CA-O 3.32Å; V9-I281 WeakPolarHBondContact CA-O 3.5Å; V9-I281 HydrophobicContact CG1-CB 4.22Å; V9-I281 HydrophobicContact CG1-CG2 4.45Å; V9-I281 HydrophobicContact CG2-CB 4.2Å; V9-I281 HydrophobicContact CG2-CD1 4.16Å; V9-I281 HydrophobicContact CG2-CG1 4.42Å; L10-I281 PolarHBondContact N-O 3.22Å; E16-I281 HydrophobicContact CG-CG2 4.42Å; L19-I281 HydrophobicContact CB-CD1 3.81Å; L19-I281 HydrophobicContact CD1-CD1 4.4Å; L19-I281 HydrophobicContact CD1-CG2 4.05Å; I281-F399 WeakPolarHBondContact CA-O 3.33Å; I281-M424 HydrophobicContact CD1-CE 3.64Å; I281-M424 HydrophobicContact CD1-SD 3.42Å; I281-M424 WeakPolarHBondContact CD1-SD 3.49Å; I281-M424 HydrophobicContact CG1-CE 3.67Å; I281-M424 HydrophobicContact CG1-SD 3.6Å
282	C	98.6	Very high	97.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	158.7	175	60	0	0	0	0	113.7	L10 Y286 F399 A400 S401	L10-C282 HydrophobicContact CB-CB 3.83Å; L10-C282 HydrophobicContact CD1-CB 4.45Å; L10-C282 HydrophobicContact CG-CB 4.45Å; L10-C282 VanDerWaalsContact O-CA 3.3Å; L10-C282 WeakPolarHBondContact O-CA 3.09Å; C282-Y286 HydrophobicContact CB-CD2 4.44Å; C282-Y286 HydrophobicContact CB-CG 4.41Å; C282-F399 PolarHBondContact N-O 2.9Å; C282-F399 VanDerWaalsContact N-O 3.13Å; C282-A400 VanDerWaalsContact O-CA 3.24Å; C282-A400 WeakPolarHBondContact O-CA 3.38Å; C282-S401 PolarHBondContact O-N 2.86Å; C282-S401 VanDerWaalsContact O-N 3.08Å
283	D	98.4	Very high	97.6	Very high	23 Å²	23	55.5 Å²	55.5	12%	0.123	27%	0.27	C	S	.	.			trans	-78	161.7	164.6	77.5	58.9	0	0	0	111.9	L10 S285 Y286	L10-D283 PolarHBondContact O-N 3.05Å; D283-S285 PolarHBondContact O-N 3.2Å; D283-S285 WeakPolarHBondContact OD1-CA 3.38Å; D283-S285 WeakPolarHBondContact OD1-CB 3.37Å; D283-S285 PolarHBondContact OD1-N 2.94Å; D283-S285 PolarHBondContact OD1-OG 2.98Å; D283-Y286 PolarHBondContact O-N 3.49Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.44Å
284	P	98.4	Very high	97.8	Very high	12 Å²	12	53.9 Å²	53.9	8%	0.078	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-52.5	-28.1	-177.7	-33	38.7	0	0	0	116.1	Y286 I287 V291 Y387 S401	P284-Y286 PolarHBondContact O-N 2.83Å; P284-I287 PolarHBondContact O-N 3.31Å; P284-V291 HydrophobicContact CB-CG1 3.99Å; P284-V291 HydrophobicContact CB-CG2 4.43Å; P284-Y387 HydrophobicContact CB-CG 4.34Å; P284-S401 WeakPolarHBondContact CG-O 3.5Å
285	S	98.2	Very high	97.8	Very high	59 Å²	59	52.5 Å²	52.5	41%	0.413	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-68	-17	-175.4	77.6	0	0	0	0	113.5	R35 D283	R35-S285 PolarHBondContact NH2-O 3.17Å; R35-S285 PolarHBondContact NH2-OG 2.96Å; D283-S285 PolarHBondContact O-N 3.2Å; D283-S285 WeakPolarHBondContact OD1-CA 3.38Å; D283-S285 WeakPolarHBondContact OD1-CB 3.37Å; D283-S285 PolarHBondContact OD1-N 2.94Å; D283-S285 PolarHBondContact OD1-OG 2.98Å
286	Y	98.4	Very high	97.8	Very high	20 Å²	20	54.9 Å²	54.9	8%	0.078	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-88.9	-14.7	178.6	-71.5	-87.9	0	0	0	113.5	L10 R35 V255 C282 D283 P284	L10-Y286 HydrophobicContact CB-CD1 3.73Å; L10-Y286 HydrophobicContact CB-CD2 3.91Å; L10-Y286 HydrophobicContact CB-CE1 3.82Å; L10-Y286 HydrophobicContact CB-CE2 4.01Å; L10-Y286 HydrophobicContact CB-CG 3.76Å; L10-Y286 HydrophobicContact CD1-CD1 3.76Å; L10-Y286 HydrophobicContact CD1-CE1 4.37Å; L10-Y286 HydrophobicContact CD1-CG 4.12Å; L10-Y286 HydrophobicContact CG-CD1 4.31Å; R35-Y286 PolarHBondContact N-OH 2.91Å; R35-Y286 VanDerWaalsContact NH2-CE1 3.35Å; V255-Y286 HydrophobicContact CB-CD1 4.21Å; V255-Y286 HydrophobicContact CB-CE1 4.18Å; V255-Y286 HydrophobicContact CG2-CD1 4.04Å; V255-Y286 HydrophobicContact CG2-CE1 3.69Å; C282-Y286 HydrophobicContact CB-CD2 4.44Å; C282-Y286 HydrophobicContact CB-CG 4.41Å; D283-Y286 PolarHBondContact O-N 3.49Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.44Å; P284-Y286 PolarHBondContact O-N 2.83Å
287	I	97.4	Very high	97.8	Very high	15 Å²	15	49.1 Å²	49.1	8%	0.077	26%	0.255	C	S	.	.			trans	-138.6	57.4	-173.9	55	161.6	0	0	0	112.2	I258 P284 D289 R290 V291 V398 A400	I258-I287 HydrophobicContact CD1-CG2 3.52Å; P284-I287 PolarHBondContact O-N 3.31Å; I287-D289 PolarHBondContact O-N 2.76Å; I287-R290 HydrophobicContact CB-CB 4.18Å; I287-R290 HydrophobicContact CD1-CB 3.93Å; I287-R290 HydrophobicContact CG1-CB 4.45Å; I287-R290 PolarHBondContact O-N 3Å; I287-V291 HydrophobicContact CD1-CG1 4.1Å; I287-V291 HydrophobicContact CG1-CG1 4.08Å; I287-V398 HydrophobicContact CD1-CG1 4.32Å; I287-V398 HydrophobicContact CG2-CG1 4.25Å; I287-A400 HydrophobicContact CD1-CB 3.31Å; I287-A400 HydrophobicContact CG1-CB 4.35Å
288	P	96.2	Very high	97.9	Very high	89 Å²	89	48.7 Å²	48.7	58%	0.578	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-55.9	-29.6	-174.3	23.8	-34.8	0	0	0	113.7	R290	P288-R290 VanDerWaalsContact C-N 3.31Å; P288-R290 PolarHBondContact O-N 3.19Å
289	D	95.7	Very high	97.9	Very high	162 Å²	162	44.1 Å²	44.1	87%	0.866	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-80.5	-5.8	179.3	-60.1	-39.8	0	0	0	114.4	I287	I287-D289 PolarHBondContact O-N 2.76Å
290	R	96.2	Very high	97.9	Very high	84 Å²	84	42.8 Å²	42.8	32%	0.317	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-116.9	11	-179	-64.9	-177.8	177.3	-94.6	-8.3	113.2	I287 P288 T390 D391	I287-R290 HydrophobicContact CB-CB 4.18Å; I287-R290 HydrophobicContact CD1-CB 3.93Å; I287-R290 HydrophobicContact CG1-CB 4.45Å; I287-R290 PolarHBondContact O-N 3Å; P288-R290 VanDerWaalsContact C-N 3.31Å; P288-R290 PolarHBondContact O-N 3.19Å; R290-T390 PolarHBondContact O-N 3.33Å; R290-T390 PolarHBondContact O-OG1 3.02Å; R290-D391 IonicContact NH1-OD2 3.97Å; R290-D391 PolarHBondContact NH1-OD2 2.97Å
291	V	98.3	Very high	97.9	Very high	20 Å²	20	43 Å²	43	12%	0.121	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.4	178.8	-62	0	0	0	0	110.8	P284 I287 Y387 E388	P284-V291 HydrophobicContact CB-CG1 3.99Å; P284-V291 HydrophobicContact CB-CG2 4.43Å; I287-V291 HydrophobicContact CD1-CG1 4.1Å; I287-V291 HydrophobicContact CG1-CG1 4.08Å; V291-Y387 HydrophobicContact CB-CD1 4.36Å; V291-Y387 HydrophobicContact CG2-CD1 3.83Å; V291-Y387 HydrophobicContact CG2-CG 4.31Å; V291-E388 WeakPolarHBondContact CA-O 3.46Å
292	R	98.3	Very high	97.9	Very high	151 Å²	151	43 Å²	43	57%	0.57	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124	149.5	171.4	67.4	177.9	-174.3	-175.8	1.2	110.4	A294 Y387 E388 T390	R292-A294 PolarHBondContact O-N 3.49Å; R292-Y387 WeakPolarHBondContact O-CA 3.42Å; R292-E388 HydrophobicContact CG-CG 3.86Å; R292-E388 IonicContact CZ-OE1 2.91Å; R292-E388 PolarHBondContact N-O 2.74Å; R292-E388 IonicContact NE-OE1 2.89Å; R292-E388 PolarHBondContact NE-OE1 3.07Å; R292-E388 IonicContact NH2-OE1 3.3Å; R292-E388 PolarHBondContact NH2-OE1 3.34Å; R292-E388 PolarHBondContact O-N 3.14Å; R292-T390 HydrophobicContact CB-CG2 3.75Å; R292-T390 HydrophobicContact CG-CG2 3.83Å
293	K	98.1	Very high	97.9	Very high	105 Å²	105	43 Å²	43	46%	0.457	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.4	173.3	-176.5	168.6	179.1	163	0	109.6	Q296 D385 L386 Y387	K293-Q296 VanDerWaalsContact CE-CG 3.5Å; K293-Q296 VanDerWaalsContact NZ-NE2 3.16Å; K293-D385 HydrophobicContact CD-CB 4.48Å; K293-D385 VanDerWaalsContact CE-CG 3.45Å; K293-D385 VanDerWaalsContact CE-OD1 3.3Å; K293-D385 WeakPolarHBondContact CE-OD1 3.37Å; K293-D385 WeakPolarHBondContact CE-OD2 3.49Å; K293-D385 IonicContact NZ-OD1 2.68Å; K293-D385 PolarHBondContact NZ-OD1 2.69Å; K293-D385 IonicContact NZ-OD2 3.13Å; K293-D385 PolarHBondContact NZ-OD2 2.93Å; K293-L386 CarbonylContact C-O 3.52Å; K293-L386 WeakPolarHBondContact CA-O 3.35Å; K293-Y387 HydrophobicContact CB-CD1 4.49Å; K293-Y387 HydrophobicContact CB-CE1 4.2Å
294	A	96.8	Very high	97.9	Very high	59 Å²	59	42 Å²	42	49%	0.488	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-12.5	-179.7	0	0	0	0	0	113.1	R292 L386 E388	R292-A294 PolarHBondContact O-N 3.49Å; A294-L386 HydrophobicContact CB-CB 4.47Å; A294-L386 PolarHBondContact N-O 3.05Å; A294-E388 HydrophobicContact CB-CB 4.43Å; A294-E388 HydrophobicContact CB-CG 4.04Å
295	G	96.9	Very high	98	Very high	23 Å²	23	44.3 Å²	44.3	24%	0.237	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.2	-163.7	179.6	0	0	0	0	0	112.4	L386	G295-L386 PolarHBondContact O-N 2.91Å
296	Q	98.2	Very high	98	Very high	66 Å²	66	43.3 Å²	43.3	31%	0.308	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.6	173.4	-67.2	-172.7	-64.8	0	0	110.1	K293 T356 V357 S384 D385	K293-Q296 VanDerWaalsContact CE-CG 3.5Å; K293-Q296 VanDerWaalsContact NZ-NE2 3.16Å; Q296-T356 WeakPolarHBondContact O-CA 3.49Å; Q296-V357 HydrophobicContact CB-CB 3.93Å; Q296-V357 HydrophobicContact CB-CG2 3.86Å; Q296-V357 PolarHBondContact O-N 3.32Å; Q296-S384 CarbonylContact C-O 3.55Å; Q296-S384 VanDerWaalsContact CA-O 3.29Å; Q296-S384 WeakPolarHBondContact CA-O 3.49Å; Q296-D385 VanDerWaalsContact CG-OD1 3.27Å; Q296-D385 WeakPolarHBondContact CG-OD1 3.17Å; Q296-D385 PolarHBondContact NE2-OD1 3.3Å
297	V	98.4	Very high	98	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131	175.5	172.3	0	0	0	0	108.8	R299 T355 I383 S384 L386 A406	V297-R299 HydrophobicContact CG1-CG 3.91Å; V297-T355 WeakPolarHBondContact CA-O 3.44Å; V297-T355 WeakPolarHBondContact CG1-O 3.39Å; V297-I383 WeakPolarHBondContact O-CA 3.26Å; V297-S384 PolarHBondContact N-O 3.28Å; V297-S384 PolarHBondContact O-N 2.88Å; V297-L386 HydrophobicContact CB-CD2 4.5Å; V297-L386 HydrophobicContact CG2-CD1 3.6Å; V297-L386 HydrophobicContact CG2-CD2 3.87Å; V297-L386 HydrophobicContact CG2-CG 3.84Å; V297-A406 HydrophobicContact CG1-CB 3.82Å; V297-A406 HydrophobicContact CG2-CB 3.95Å
298	I	98.6	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.1	163.9	-178.7	173.7	0	0	0	108.8	V300 S354 T355 V357 P362 E363 I366 V381 A382 I383	I298-V300 HydrophobicContact CD1-CG2 3.88Å; I298-V300 HydrophobicContact CG1-CG2 3.97Å; I298-S354 WeakPolarHBondContact O-CA 3.45Å; I298-S354 WeakPolarHBondContact O-CB 3.21Å; I298-T355 HydrophobicContact CG2-CG2 3.61Å; I298-T355 PolarHBondContact N-O 2.59Å; I298-T355 VanDerWaalsContact N-O 3.11Å; I298-T355 PolarHBondContact O-N 3.34Å; I298-V357 HydrophobicContact CB-CG2 4.22Å; I298-V357 HydrophobicContact CG2-CG2 4.35Å; I298-P362 HydrophobicContact CB-CB 4.2Å; I298-P362 VanDerWaalsContact CD1-C 3.5Å; I298-P362 HydrophobicContact CD1-CB 3.93Å; I298-P362 VanDerWaalsContact CD1-O 3.29Å; I298-P362 WeakPolarHBondContact CD1-O 3.38Å; I298-P362 HydrophobicContact CG2-CB 4.5Å; I298-E363 HydrophobicContact CD1-CB 4.47Å; I298-E363 HydrophobicContact CD1-CG 3.92Å; I298-I366 HydrophobicContact CD1-CD1 4.08Å; I298-I366 HydrophobicContact CD1-CG1 4.41Å; I298-I366 HydrophobicContact CG2-CG2 3.92Å; I298-V381 HydrophobicContact CD1-CG1 4.29Å; I298-A382 CarbonylContact C-O 3.6Å; I298-A382 WeakPolarHBondContact CA-O 3.37Å; I298-I383 HydrophobicContact CB-CG1 4.33Å; I298-I383 HydrophobicContact CG1-CG1 4.28Å
299	R	98.7	Very high	98.1	Very high	9 Å²	9	44.6 Å²	44.6	3%	0.034	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.5	166.9	-58.8	-167.5	175.5	82.7	-0.1	109.3	L76 V297 V353 A382 Y404 D405	L76-R299 WeakPolarHBondContact O-CD 3.33Å; V297-R299 HydrophobicContact CG1-CG 3.91Å; R299-V353 CarbonylContact C-O 3.54Å; R299-V353 VanDerWaalsContact CA-O 3.26Å; R299-V353 WeakPolarHBondContact CA-O 3.36Å; R299-A382 PolarHBondContact N-O 2.95Å; R299-A382 PolarHBondContact O-N 3.48Å; R299-Y404 PolarHBondContact NH2-O 3.49Å; R299-D405 PolarHBondContact NH2-O 2.77Å
300	V	98.7	Very high	98.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	111.7	174.4	-176.7	0	0	0	0	109.2	I298 I352 V353 I366 L370 K379 F380 V381	I298-V300 HydrophobicContact CD1-CG2 3.88Å; I298-V300 HydrophobicContact CG1-CG2 3.97Å; V300-I352 WeakPolarHBondContact O-CA 3.47Å; V300-V353 PolarHBondContact N-O 3.38Å; V300-V353 PolarHBondContact O-N 2.89Å; V300-I366 HydrophobicContact CB-CD1 3.77Å; V300-I366 HydrophobicContact CG1-CD1 4.5Å; V300-I366 HydrophobicContact CG2-CD1 3.28Å; V300-L370 HydrophobicContact CG1-CD2 4.43Å; V300-K379 HydrophobicContact CG1-CB 4.19Å; V300-K379 HydrophobicContact CG1-CD 4.49Å; V300-K379 HydrophobicContact CG1-CG 4.44Å; V300-F380 WeakPolarHBondContact CA-O 3.48Å; V300-V381 HydrophobicContact CG1-CG2 4.12Å; V300-V381 HydrophobicContact CG2-CB 4.29Å; V300-V381 HydrophobicContact CG2-CG1 4.05Å; V300-V381 HydrophobicContact CG2-CG2 3.92Å
301	I	98.9	Very high	98.1	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.4	174.7	-55.1	171.2	0	0	0	107.2	L52 F56 V74 L76 I350 I352 K379 F380	L52-I301 HydrophobicContact CD1-CD1 4.49Å; F56-I301 HydrophobicContact CE2-CD1 4.46Å; F56-I301 HydrophobicContact CZ-CD1 4.3Å; V74-I301 HydrophobicContact CG1-CD1 4.12Å; V74-I301 HydrophobicContact CG1-CG2 3.94Å; L76-I301 HydrophobicContact CD2-CD1 4.25Å; I301-I350 HydrophobicContact CG2-CG2 3.79Å; I301-I352 HydrophobicContact CB-CG1 4.3Å; I301-I352 HydrophobicContact CG1-CD1 4.11Å; I301-I352 HydrophobicContact CG1-CG1 4.06Å; I301-I352 HydrophobicContact CG1-CG2 4.25Å; I301-I352 HydrophobicContact CG2-CD1 4.31Å; I301-I352 HydrophobicContact CG2-CG1 4.12Å; I301-K379 CarbonylContact O-C 3.57Å; I301-K379 VanDerWaalsContact O-CA 3.3Å; I301-K379 WeakPolarHBondContact O-CA 3.47Å; I301-F380 HydrophobicContact CB-CB 4.14Å; I301-F380 HydrophobicContact CB-CD2 4.06Å; I301-F380 HydrophobicContact CG2-CD2 4.07Å; I301-F380 PolarHBondContact N-O 3.32Å; I301-F380 PolarHBondContact O-N 3Å
302	C	98.9	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124	179.2	-60.8	0	0	0	0	109.8	L304 I350 A351 L373 I376 Q378	C302-L304 HydrophobicContact CB-CD2 4.17Å; C302-I350 WeakPolarHBondContact O-CA 3.49Å; C302-A351 WeakPolarHBondContact CA-O 3.11Å; C302-A351 HydrophobicContact CB-CB 4.46Å; C302-A351 WeakPolarHBondContact CB-O 3.44Å; C302-A351 PolarHBondContact N-O 3.47Å; C302-A351 PolarHBondContact O-N 3.37Å; C302-L373 HydrophobicContact CB-CD1 4.1Å; C302-I376 HydrophobicContact CB-CD1 4.46Å; C302-I376 HydrophobicContact CB-CG1 4.44Å; C302-I376 HydrophobicContact CB-CG2 3.85Å; C302-Q378 WeakPolarHBondContact CA-O 3.3Å
303	I	98.8	Very high	97.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.6	169.4	-64.5	175.4	0	0	0	108.9	L49 M66 W72 K348 Y349 D377 Q378 F380	L49-I303 HydrophobicContact CD1-CD1 3.97Å; L49-I303 HydrophobicContact CD2-CD1 4.5Å; M66-I303 HydrophobicContact CE-CB 4.46Å; M66-I303 HydrophobicContact CE-CD1 4.31Å; M66-I303 HydrophobicContact CE-CG2 4.08Å; M66-I303 HydrophobicContact SD-CD1 4.22Å; M66-I303 HydrophobicContact SD-CG2 3.73Å; W72-I303 HydrophobicContact CE3-CD1 4.5Å; W72-I303 HydrophobicContact CH2-CB 4.46Å; W72-I303 HydrophobicContact CH2-CD1 3.79Å; W72-I303 HydrophobicContact CH2-CG1 4.03Å; W72-I303 HydrophobicContact CH2-CG2 3.6Å; W72-I303 HydrophobicContact CZ3-CD1 3.71Å; W72-I303 HydrophobicContact CZ3-CG1 3.83Å; W72-I303 HydrophobicContact CZ3-CG2 4.21Å; I303-K348 HydrophobicContact CG2-CD 4.49Å; I303-Y349 WeakPolarHBondContact CA-O 3.34Å; I303-D377 HydrophobicContact CB-CB 4.46Å; I303-D377 HydrophobicContact CG2-CB 4.19Å; I303-D377 WeakPolarHBondContact O-CB 3.4Å; I303-D377 PolarHBondContact O-N 3.24Å; I303-Q378 HydrophobicContact CB-CB 4.46Å; I303-Q378 PolarHBondContact N-O 2.89Å; I303-F380 HydrophobicContact CD1-CE2 3.66Å; I303-F380 HydrophobicContact CD1-CZ 4.03Å; I303-F380 HydrophobicContact CG1-CE2 4.01Å
304	L	98.9	Very high	97.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.4	178.3	-38.2	174.2	0	0	0	110.9	C302 I308 K348 Y349 A351 L373 I376	C302-L304 HydrophobicContact CB-CD2 4.17Å; L304-I308 HydrophobicContact CD1-CG1 4.08Å; L304-K348 WeakPolarHBondContact O-CA 3.44Å; L304-Y349 PolarHBondContact N-O 2.9Å; L304-Y349 PolarHBondContact O-N 2.8Å; L304-A351 HydrophobicContact CD1-CB 3.91Å; L304-A351 HydrophobicContact CG-CB 4.43Å; L304-L373 HydrophobicContact CD1-CB 4.46Å; L304-L373 HydrophobicContact CD1-CD2 4.38Å; L304-L373 HydrophobicContact CD2-CB 4.16Å; L304-I376 HydrophobicContact CD2-CB 4.22Å; L304-I376 HydrophobicContact CD2-CG1 3.77Å; L304-I376 HydrophobicContact CD2-CG2 4.27Å
305	S	98.7	Very high	97.9	Very high	61 Å²	61	38 Å²	38	43%	0.427	21%	0.206	S	C	.	.	S	Bend	trans	-97.4	10.8	169.6	-72.8	0	0	0	0	113.6	K348 D377	S305-K348 PolarHBondContact OG-NZ 3.43Å; S305-D377 PolarHBondContact N-OD2 3.29Å; S305-D377 PolarHBondContact OG-OD1 2.64Å; S305-D377 PolarHBondContact OG-OD2 3.29Å
306	H	98.6	Very high	98	Very high	38 Å²	38	36.9 Å²	36.9	18%	0.176	20%	0.195	C	C	.	.	S	Bend	trans	-148.8	156	-178.2	61.8	79.9	0	0	0	110.7	Y349 L373 P375	H306-Y349 VanDerWaalsContact C-CE2 3.45Å; H306-Y349 WeakPolarHBondContact O-CD2 3.37Å; H306-L373 PolarHBondContact CE1-O 3.17Å; H306-L373 VanDerWaalsContact CE1-O 3.29Å; H306-P375 WeakPolarHBondContact NE2-CD 3.48Å; H306-P375 PolarHBondContact NE2-O 3.11Å
307	P	98.4	Very high	98	Very high	27 Å²	27	33.7 Å²	33.7	18%	0.175	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-65.1	157.3	169.2	29.4	-35.1	0	0	0	110.5	K309 D313 Y349	P307-K309 PolarHBondContact O-N 3.34Å; P307-D313 HydrophobicContact CB-CB 4.47Å; P307-D313 HydrophobicContact CG-CB 4.09Å; P307-D313 WeakPolarHBondContact CG-OD1 3.14Å; P307-Y349 HydrophobicContact CB-CE1 4.09Å
308	I	98.6	Very high	98	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-65.7	133.4	176.1	-61.4	173.7	0	0	0	109.1	I116 L304 T311 I319 M336 A351 L373	I116-I308 HydrophobicContact CD1-CG2 4.31Å; L304-I308 HydrophobicContact CD1-CG1 4.08Å; I308-T311 HydrophobicContact CB-CG2 3.81Å; I308-T311 HydrophobicContact CG2-CG2 3.9Å; I308-T311 WeakPolarHBondContact O-CB 3.28Å; I308-T311 WeakPolarHBondContact O-CG2 3.49Å; I308-T311 PolarHBondContact O-N 3.17Å; I308-T311 PolarHBondContact O-OG1 2.95Å; I308-I319 HydrophobicContact CD1-CD1 3.97Å; I308-I319 HydrophobicContact CG2-CD1 4.08Å; I308-M336 HydrophobicContact CD1-CB 3.74Å; I308-M336 HydrophobicContact CD1-CG 3.95Å; I308-M336 HydrophobicContact CG1-CG 4.44Å; I308-A351 HydrophobicContact CD1-CB 4.34Å; I308-L373 HydrophobicContact CD1-CD2 3.44Å; I308-L373 VanDerWaalsContact CD1-CD2 3.44Å; I308-L373 HydrophobicContact CG1-CD2 3.68Å; I308-L373 HydrophobicContact CG2-CD2 4.35Å
309	K	97.4	Very high	98	Very high	124 Å²	124	33.7 Å²	33.7	54%	0.539	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	147.5	179.7	-68.2	171.8	-175	146.1	0	110.8	I116 P307 T311 E374	I116-K309 WeakPolarHBondContact CD1-O 3.39Å; P307-K309 PolarHBondContact O-N 3.34Å; K309-T311 PolarHBondContact O-N 2.92Å; K309-E374 PolarHBondContact NZ-O 3.23Å
310	N	95.8	Very high	98	Very high	123 Å²	123	33.3 Å²	33.3	66%	0.658	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	18.8	179.9	-51.4	-55	0	0	0	115.3	I116	I116-N310 HydrophobicContact CD1-CB 4.41Å; I116-N310 HydrophobicContact CG1-CB 4.01Å
311	T	96.6	Very high	98	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.037	18%	0.178	C	C	.	.	S	Bend	trans	-101.6	5.3	173.2	65.9	0	0	0	0	114.1	F109 I116 I308 K309 A314	F109-T311 HydrophobicContact CD2-CG2 4.15Å; F109-T311 HydrophobicContact CE1-CG2 4.39Å; F109-T311 HydrophobicContact CE2-CG2 3.79Å; F109-T311 HydrophobicContact CZ-CG2 3.95Å; I116-T311 HydrophobicContact CD1-CG2 3.69Å; I308-T311 HydrophobicContact CB-CG2 3.81Å; I308-T311 HydrophobicContact CG2-CG2 3.9Å; I308-T311 WeakPolarHBondContact O-CB 3.28Å; I308-T311 WeakPolarHBondContact O-CG2 3.49Å; I308-T311 PolarHBondContact O-N 3.17Å; I308-T311 PolarHBondContact O-OG1 2.95Å; K309-T311 PolarHBondContact O-N 2.92Å; T311-A314 WeakPolarHBondContact O-CB 3.42Å; T311-A314 PolarHBondContact O-N 2.92Å
312	N	95.1	Very high	97.9	Very high	156 Å²	156	33 Å²	33	83%	0.834	18%	0.177	S	C	*	.	S	Bend	trans	56.4	48.2	-172.4	-168.4	68.1	0	0	0	112.1	A314	N312-A314 PolarHBondContact O-N 3.4Å
313	D	96.8	Very high	97.8	Very high	118 Å²	118	33.9 Å²	33.9	63%	0.631	18%	0.181	S	C	*	.	S	Bend	trans	51.6	37.2	179.7	-55.6	-34	0	0	0	113.9	P307 N315	P307-D313 HydrophobicContact CB-CB 4.47Å; P307-D313 HydrophobicContact CG-CB 4.09Å; P307-D313 WeakPolarHBondContact CG-OD1 3.14Å; D313-N315 PolarHBondContact O-N 3.03Å
314	A	97.6	Very high	97.6	Very high	7 Å²	7	37 Å²	37	6%	0.058	20%	0.198	C	C	.	.			trans	-60.9	137.8	178	0	0	0	0	0	110.8	E106 T311 N312 S316 M336	E106-A314 HydrophobicContact CB-CB 4.19Å; T311-A314 WeakPolarHBondContact O-CB 3.42Å; T311-A314 PolarHBondContact O-N 2.92Å; N312-A314 PolarHBondContact O-N 3.4Å; A314-S316 VanDerWaalsContact C-N 3.3Å; A314-M336 WeakPolarHBondContact O-CE 3.29Å
315	N	98.2	Very high	97.5	Very high	31 Å²	31	39.3 Å²	39.3	17%	0.166	21%	0.208	C	C	.	.	S	Bend	trans	-83.8	-9.6	174.5	-64.4	-83.5	0	0	0	113	E106 D313 S338 Y339 A340	E106-N315 WeakPolarHBondContact OE2-CB 3.34Å; E106-N315 PolarHBondContact OE2-N 3.19Å; E106-N315 PolarHBondContact OE2-ND2 2.81Å; D313-N315 PolarHBondContact O-N 3.03Å; N315-S338 VanDerWaalsContact O-CB 3.28Å; N315-S338 WeakPolarHBondContact O-CB 3.26Å; N315-S338 PolarHBondContact O-N 3.29Å; N315-S338 PolarHBondContact O-OG 3.03Å; N315-Y339 PolarHBondContact OD1-OH 3.26Å; N315-A340 HydrophobicContact CB-CB 3.65Å
316	S	98.7	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-161.1	142.8	173	52.2	0	0	0	0	109.6	V105 E106 G107 A314 M336 H341	V105-S316 WeakPolarHBondContact CA-OG 3.37Å; E106-S316 WeakPolarHBondContact CB-O 3.33Å; E106-S316 PolarHBondContact N-O 3.25Å; E106-S316 VanDerWaalsContact N-O 3.13Å; E106-S316 PolarHBondContact N-OG 3.48Å; G107-S316 PolarHBondContact N-O 3.44Å; A314-S316 VanDerWaalsContact C-N 3.3Å; S316-M336 CarbonylContact C-O 3.55Å; S316-M336 WeakPolarHBondContact CA-O 3.49Å; S316-M336 VanDerWaalsContact CB-O 3.29Å; S316-M336 WeakPolarHBondContact CB-O 3.19Å; S316-H341 WeakPolarHBondContact CB-CE1 3.21Å; S316-H341 PolarHBondContact OG-CE1 3.36Å
317	C	98.5	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	159	175.3	65.5	0	0	0	0	113.8	G107 F109 C335 M336	G107-C317 CarbonylContact O-C 3.48Å; G107-C317 WeakPolarHBondContact O-CA 3.42Å; G107-C317 WeakPolarHBondContact O-CB 3.42Å; F109-C317 HydrophobicContact CD2-CB 3.75Å; F109-C317 HydrophobicContact CE2-CB 3.55Å; C317-C335 WeakPolarHBondContact O-CA 3.3Å; C317-M336 PolarHBondContact N-O 2.91Å; C317-M336 PolarHBondContact O-N 3.01Å
318	Q	98.5	Very high	97.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.7	163.2	-179.3	78.8	-72.6	0	0	108.7	F80 G107 S108 F109 Y224 I320 V334 T408	F80-Q318 HydrophobicContact CD2-CB 4.17Å; F80-Q318 HydrophobicContact CE2-CB 4Å; G107-Q318 PolarHBondContact O-N 3.13Å; S108-Q318 CarbonylContact C-O 3.27Å; S108-Q318 WeakPolarHBondContact CA-O 3.34Å; F109-Q318 PolarHBondContact N-O 3.32Å; Y224-Q318 HydrophobicContact CD2-CB 4.01Å; Y224-Q318 HydrophobicContact CE2-CB 3.7Å; Y224-Q318 HydrophobicContact CE2-CG 3.79Å; Q318-I320 HydrophobicContact CG-CD1 4.2Å; Q318-I320 HydrophobicContact CG-CG1 4.09Å; Q318-V334 CarbonylContact C-O 3.6Å; Q318-V334 PolarHBondContact OE1-O 3.02Å; Q318-T408 PolarHBondContact NE2-O 3.13Å; Q318-T408 PolarHBondContact NE2-OG1 3.43Å; Q318-T408 PolarHBondContact OE1-OG1 3.4Å
319	I	98.6	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126	167.8	-47.6	178.6	0	0	0	107.8	F109 I116 I308 V334	F109-I319 HydrophobicContact CB-CG1 4.23Å; F109-I319 HydrophobicContact CB-CG2 4.48Å; F109-I319 HydrophobicContact CD2-CG1 4.48Å; F109-I319 WeakPolarHBondContact O-CA 3.43Å; I116-I319 HydrophobicContact CD1-CD1 4.05Å; I116-I319 HydrophobicContact CG2-CG2 3.75Å; I308-I319 HydrophobicContact CD1-CD1 3.97Å; I308-I319 HydrophobicContact CG2-CD1 4.08Å; I319-V334 HydrophobicContact CB-CB 4.04Å; I319-V334 HydrophobicContact CD1-CB 4.43Å; I319-V334 HydrophobicContact CG1-CB 4.44Å; I319-V334 PolarHBondContact N-O 3.22Å; I319-V334 PolarHBondContact O-N 2.95Å
320	I	98.3	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.5	175.9	-63.6	167.6	0	0	0	107.6	F109 V110 Y111 H187 A188 L191 Q318 P322 Y333	F109-I320 PolarHBondContact O-N 3.2Å; V110-I320 CarbonylContact C-O 3.53Å; V110-I320 WeakPolarHBondContact CA-O 3.36Å; Y111-I320 PolarHBondContact N-O 3Å; H187-I320 HydrophobicContact CB-CG2 4.2Å; H187-I320 WeakPolarHBondContact O-CD1 3.44Å; A188-I320 HydrophobicContact CB-CB 4.44Å; A188-I320 HydrophobicContact CB-CD1 4.06Å; L191-I320 HydrophobicContact CD2-CD1 3.74Å; Q318-I320 HydrophobicContact CG-CD1 4.2Å; Q318-I320 HydrophobicContact CG-CG1 4.09Å; I320-P322 WeakPolarHBondContact O-CD 3.31Å; I320-Y333 HydrophobicContact CG1-CD1 4.09Å; I320-Y333 HydrophobicContact CG1-CE1 4.35Å; I320-Y333 HydrophobicContact CG2-CE1 4.32Å
321	I	98.1	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	97.1	173.9	-48.9	-173.7	0	0	0	107	Y111 Q323 V326 D331 I332 A369 L372	Y111-I321 HydrophobicContact CD1-CG2 3.91Å; Y111-I321 HydrophobicContact CD2-CD1 4.49Å; Y111-I321 HydrophobicContact CE1-CG2 4.5Å; Y111-I321 HydrophobicContact CG-CG1 4.32Å; Y111-I321 HydrophobicContact CG-CG2 3.96Å; I321-Q323 PolarHBondContact O-N 3.41Å; I321-V326 HydrophobicContact CG2-CB 4.44Å; I321-V326 HydrophobicContact CG2-CG1 3.53Å; I321-V326 HydrophobicContact CG2-CG2 4Å; I321-D331 WeakPolarHBondContact O-CA 3.28Å; I321-I332 HydrophobicContact CB-CB 4.02Å; I321-I332 WeakPolarHBondContact CB-O 3.33Å; I321-I332 HydrophobicContact CD1-CB 4.24Å; I321-I332 HydrophobicContact CD1-CG2 4.39Å; I321-I332 HydrophobicContact CG1-CB 4.39Å; I321-I332 PolarHBondContact N-O 3.07Å; I321-I332 PolarHBondContact O-N 3.4Å; I321-A369 HydrophobicContact CD1-CB 3.73Å; I321-L372 HydrophobicContact CD1-CD1 4.27Å
322	P	97.4	Very high	97	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.201	C	C	.	.			trans	-59.3	137.7	-179.2	-23.3	34.2	0	0	0	110.9	V110 D183 H187 I320 N324 Q325 D331	V110-P322 HydrophobicContact CG2-CG 3.81Å; D183-P322 HydrophobicContact CB-CB 4.28Å; H187-P322 HydrophobicContact CB-CB 4.26Å; H187-P322 HydrophobicContact CB-CG 4.2Å; I320-P322 WeakPolarHBondContact O-CD 3.31Å; P322-N324 PolarHBondContact O-N 2.82Å; P322-N324 VanDerWaalsContact O-N 3.08Å; P322-Q325 HydrophobicContact CB-CG 4.21Å; P322-Q325 HydrophobicContact CG-CG 4.36Å; P322-Q325 WeakPolarHBondContact O-CB 3.48Å; P322-Q325 PolarHBondContact O-N 2.9Å; P322-D331 WeakPolarHBondContact CA-OD1 3.35Å
323	Q	95.8	Very high	97.1	Very high	17 Å²	17	30.6 Å²	30.6	8%	0.079	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-49.7	-38.4	-176.5	66.2	-179.6	91.5	0	0	113.7	R193 I321 Q325 V326 N327 R328 N329 D331	R193-Q323 PolarHBondContact O-OE1 3.45Å; I321-Q323 PolarHBondContact O-N 3.41Å; Q323-Q325 VanDerWaalsContact C-N 3.26Å; Q323-Q325 PolarHBondContact O-N 3.36Å; Q323-V326 CarbonylContact O-C 3.52Å; Q323-V326 PolarHBondContact O-N 3.19Å; Q323-N327 PolarHBondContact O-N 2.86Å; Q323-R328 HydrophobicContact CB-CB 4.29Å; Q323-R328 WeakPolarHBondContact CB-O 3.46Å; Q323-R328 PolarHBondContact NE2-O 3.26Å; Q323-R328 PolarHBondContact O-N 2.99Å; Q323-N329 VanDerWaalsContact NE2-C 3.26Å; Q323-N329 VanDerWaalsContact NE2-CA 3.35Å; Q323-N329 PolarHBondContact NE2-O 2.98Å; Q323-N329 VanDerWaalsContact NE2-O 3.14Å; Q323-N329 PolarHBondContact OE1-O 3.2Å; Q323-D331 PolarHBondContact N-OD1 2.88Å
324	N	95.5	Very high	97.2	Very high	68 Å²	68	25 Å²	25	36%	0.364	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-67.5	-24.4	-179.4	-66.8	-25	0	0	0	112.8	D183 D195 P322 V326	D183-N324 PolarHBondContact OD1-ND2 3.08Å; D195-N324 PolarHBondContact OD2-ND2 3.44Å; P322-N324 PolarHBondContact O-N 2.82Å; P322-N324 VanDerWaalsContact O-N 3.08Å; N324-V326 VanDerWaalsContact C-N 3.31Å
325	Q	95.7	Very high	97.3	Very high	47 Å²	47	24.7 Å²	24.7	22%	0.22	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-80	-14.3	179.1	-61.4	-66.9	-51.6	0	0	113	Y111 D183 P322 Q323	Y111-Q325 HydrophobicContact CD1-CB 3.92Å; Y111-Q325 HydrophobicContact CE1-CB 4.24Å; D183-Q325 PolarHBondContact OD2-NE2 3.26Å; D183-Q325 VanDerWaalsContact OD2-NE2 3.1Å; P322-Q325 HydrophobicContact CB-CG 4.21Å; P322-Q325 HydrophobicContact CG-CG 4.36Å; P322-Q325 WeakPolarHBondContact O-CB 3.48Å; P322-Q325 PolarHBondContact O-N 2.9Å; Q323-Q325 VanDerWaalsContact C-N 3.26Å; Q323-Q325 PolarHBondContact O-N 3.36Å
326	V	96.3	Very high	97.3	Very high	30 Å²	30	23.2 Å²	23.2	18%	0.182	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	15	-177.8	-69.2	0	0	0	0	112.8	Y111 I321 Q323 N324 R328 I332 P368	Y111-V326 HydrophobicContact CE1-CG1 4.32Å; I321-V326 HydrophobicContact CG2-CB 4.44Å; I321-V326 HydrophobicContact CG2-CG1 3.53Å; I321-V326 HydrophobicContact CG2-CG2 4Å; Q323-V326 CarbonylContact O-C 3.52Å; Q323-V326 PolarHBondContact O-N 3.19Å; N324-V326 VanDerWaalsContact C-N 3.31Å; V326-R328 HydrophobicContact CB-CG 4.5Å; V326-R328 HydrophobicContact CG2-CB 4.24Å; V326-R328 HydrophobicContact CG2-CG 3.88Å; V326-R328 PolarHBondContact O-N 2.69Å; V326-I332 HydrophobicContact CG2-CD1 4.15Å; V326-P368 HydrophobicContact CG1-CB 3.9Å; V326-P368 HydrophobicContact CG1-CG 3.95Å
327	N	95.4	Very high	97.3	Very high	158 Å²	158	23.3 Å²	23.3	85%	0.845	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	49.2	177.9	-169.8	56.8	0	0	0	113.3	Q323	Q323-N327 PolarHBondContact O-N 2.86Å
328	R	95.8	Very high	97.3	Very high	24 Å²	24	23.3 Å²	23.3	9%	0.091	12%	0.122	C	C	.	.			trans	-120	171.5	179.3	-67.4	-176.8	59.2	75.9	-2.7	111.8	Q323 V326 S330 T355 T356 E358 E365	Q323-R328 HydrophobicContact CB-CB 4.29Å; Q323-R328 WeakPolarHBondContact CB-O 3.46Å; Q323-R328 PolarHBondContact NE2-O 3.26Å; Q323-R328 PolarHBondContact O-N 2.99Å; V326-R328 HydrophobicContact CB-CG 4.5Å; V326-R328 HydrophobicContact CG2-CB 4.24Å; V326-R328 HydrophobicContact CG2-CG 3.88Å; V326-R328 PolarHBondContact O-N 2.69Å; R328-S330 WeakPolarHBondContact CB-O 3.43Å; R328-S330 PolarHBondContact NE-O 3.36Å; R328-S330 PolarHBondContact NH2-OG 2.79Å; R328-T355 PolarHBondContact NH2-OG1 2.76Å; R328-T356 PolarHBondContact NH2-O 3.41Å; R328-E358 IonicContact CZ-OE1 3.36Å; R328-E358 IonicContact NE-OE1 3.77Å; R328-E358 IonicContact NH2-OE1 2.97Å; R328-E358 PolarHBondContact NH2-OE1 2.87Å; R328-E365 IonicContact CZ-OE2 3.15Å; R328-E365 VanDerWaalsContact NH1-CB 3.33Å; R328-E365 VanDerWaalsContact NH1-CG 3.34Å; R328-E365 IonicContact NH1-OE2 3.61Å; R328-E365 PolarHBondContact NH1-OE2 3.27Å; R328-E365 IonicContact NH2-OE2 2.8Å; R328-E365 PolarHBondContact NH2-OE2 3.24Å
329	N	95.2	Very high	97.3	Very high	119 Å²	119	26.1 Å²	26.1	64%	0.636	13%	0.133	S	C	*	.	S	Bend	trans	-99	-6.9	171.2	-56.6	-71.9	0	0	0	113.2	Q323 E358	Q323-N329 VanDerWaalsContact NE2-C 3.26Å; Q323-N329 VanDerWaalsContact NE2-CA 3.35Å; Q323-N329 PolarHBondContact NE2-O 2.98Å; Q323-N329 VanDerWaalsContact NE2-O 3.14Å; Q323-N329 PolarHBondContact OE1-O 3.2Å; N329-E358 WeakPolarHBondContact CA-OE1 3.47Å; N329-E358 PolarHBondContact N-OE1 2.75Å; N329-E358 PolarHBondContact N-OE2 3.07Å; N329-E358 PolarHBondContact ND2-OE2 3.48Å
330	S	95.3	Very high	97.3	Very high	13 Å²	13	27.2 Å²	27.2	9%	0.091	14%	0.143	C	C	.	.	S	Bend	trans	-140.5	143.8	179.5	61.6	0	0	0	0	110.9	R328 T355 T356 E358	R328-S330 WeakPolarHBondContact CB-O 3.43Å; R328-S330 PolarHBondContact NE-O 3.36Å; R328-S330 PolarHBondContact NH2-OG 2.79Å; S330-T355 PolarHBondContact OG-OG1 2.85Å; S330-T356 PolarHBondContact OG-O 3.28Å; S330-E358 WeakPolarHBondContact CB-OE1 3.41Å; S330-E358 PolarHBondContact N-OE1 3.15Å; S330-E358 PolarHBondContact OG-OE1 3.49Å
331	D	97.5	Very high	97.3	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	14%	0.143	C	C	.	.			trans	-64.7	157.4	177.6	-66.2	-14.8	0	0	0	112.2	H187 I321 P322 Q323 Y333 T355	H187-D331 IonicContact CE1-OD1 2.84Å; H187-D331 PolarHBondContact CE1-OD1 3.41Å; H187-D331 IonicContact CE1-OD2 2.75Å; H187-D331 IonicContact CG-OD1 3.96Å; H187-D331 IonicContact CG-OD2 2.77Å; H187-D331 IonicContact ND1-OD1 3.34Å; H187-D331 PolarHBondContact ND1-OD1 3.25Å; H187-D331 IonicContact ND1-OD2 3.71Å; H187-D331 PolarHBondContact ND1-OD2 2.93Å; I321-D331 WeakPolarHBondContact O-CA 3.28Å; P322-D331 WeakPolarHBondContact CA-OD1 3.35Å; Q323-D331 PolarHBondContact N-OD1 2.88Å; D331-Y333 HydrophobicContact CB-CE1 4.04Å; D331-Y333 HydrophobicContact CB-CE2 3.86Å; D331-Y333 WeakPolarHBondContact CB-OH 3.19Å; D331-Y333 PolarHBondContact OD2-OH 3.43Å; D331-T355 WeakPolarHBondContact O-CB 3.21Å; D331-T355 PolarHBondContact O-OG1 3.36Å
332	I	98.4	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.4	165.1	-49.5	164	0	0	0	108.1	I321 V326 V353 T355 E365 I366 A369	I321-I332 HydrophobicContact CB-CB 4.02Å; I321-I332 WeakPolarHBondContact CB-O 3.33Å; I321-I332 HydrophobicContact CD1-CB 4.24Å; I321-I332 HydrophobicContact CD1-CG2 4.39Å; I321-I332 HydrophobicContact CG1-CB 4.39Å; I321-I332 PolarHBondContact N-O 3.07Å; I321-I332 PolarHBondContact O-N 3.4Å; V326-I332 HydrophobicContact CG2-CD1 4.15Å; I332-V353 HydrophobicContact CG2-CG1 3.75Å; I332-T355 HydrophobicContact CG1-CG2 4.34Å; I332-E365 VanDerWaalsContact CD1-O 3.26Å; I332-E365 WeakPolarHBondContact CD1-O 3.36Å; I332-I366 HydrophobicContact CG2-CG2 4.38Å; I332-A369 HydrophobicContact CG2-CB 3.87Å
333	Y	98.6	Very high	97.4	Very high	7 Å²	7	30.1 Å²	30.1	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.4	179.6	-55.3	-81.3	0	0	0	110.2	I320 D331 V353 S354 A406 T407 T408	I320-Y333 HydrophobicContact CG1-CD1 4.09Å; I320-Y333 HydrophobicContact CG1-CE1 4.35Å; I320-Y333 HydrophobicContact CG2-CE1 4.32Å; D331-Y333 HydrophobicContact CB-CE1 4.04Å; D331-Y333 HydrophobicContact CB-CE2 3.86Å; D331-Y333 WeakPolarHBondContact CB-OH 3.19Å; D331-Y333 PolarHBondContact OD2-OH 3.43Å; Y333-V353 CarbonylContact O-C 3.58Å; Y333-V353 WeakPolarHBondContact O-CA 3.38Å; Y333-S354 PolarHBondContact N-O 2.8Å; Y333-S354 PolarHBondContact O-N 3.03Å; Y333-A406 HydrophobicContact CD2-CB 4.44Å; Y333-A406 WeakPolarHBondContact CD2-O 3.37Å; Y333-T407 HydrophobicContact CE2-CG2 4.27Å; Y333-T408 VanDerWaalsContact CB-CG2 3.49Å; Y333-T408 HydrophobicContact CG-CG2 4.38Å
334	V	98.8	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.7	165.2	-169.3	0	0	0	0	108.4	Q318 I319 A351 I352 V353 A369 L373	Q318-V334 CarbonylContact C-O 3.6Å; Q318-V334 PolarHBondContact OE1-O 3.02Å; I319-V334 HydrophobicContact CB-CB 4.04Å; I319-V334 HydrophobicContact CD1-CB 4.43Å; I319-V334 HydrophobicContact CG1-CB 4.44Å; I319-V334 PolarHBondContact N-O 3.22Å; I319-V334 PolarHBondContact O-N 2.95Å; V334-A351 HydrophobicContact CG1-CB 4.27Å; V334-I352 WeakPolarHBondContact CA-O 3.42Å; V334-V353 HydrophobicContact CG1-CG2 4.34Å; V334-V353 HydrophobicContact CG2-CG1 4.43Å; V334-V353 HydrophobicContact CG2-CG2 4.06Å; V334-A369 HydrophobicContact CG2-CB 3.8Å; V334-L373 HydrophobicContact CG1-CD2 4.25Å
335	C	97.8	Very high	97.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.1	163.1	61.1	0	0	0	0	109.1	P78 F80 C317 A351 I352 T408	P78-C335 VanDerWaalsContact CB-SG 3.54Å; P78-C335 WeakPolarHBondContact CG-SG 3.4Å; F80-C335 HydrophobicContact CD2-CB 4.35Å; F80-C335 HydrophobicContact CE2-CB 3.6Å; F80-C335 HydrophobicContact CZ-CB 3.72Å; C317-C335 WeakPolarHBondContact O-CA 3.3Å; C335-A351 WeakPolarHBondContact O-CA 3.45Å; C335-I352 PolarHBondContact N-O 3.17Å; C335-I352 VanDerWaalsContact N-O 3.15Å; C335-I352 PolarHBondContact O-N 3.22Å; C335-T408 HydrophobicContact CB-CG2 3.89Å
336	M	98.8	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.5	175.8	-178.1	-80	-74.5	0	0	109.6	I308 A314 S316 C317 Y349 I350 A351	I308-M336 HydrophobicContact CD1-CB 3.74Å; I308-M336 HydrophobicContact CD1-CG 3.95Å; I308-M336 HydrophobicContact CG1-CG 4.44Å; A314-M336 WeakPolarHBondContact O-CE 3.29Å; S316-M336 CarbonylContact C-O 3.55Å; S316-M336 WeakPolarHBondContact CA-O 3.49Å; S316-M336 VanDerWaalsContact CB-O 3.29Å; S316-M336 WeakPolarHBondContact CB-O 3.19Å; C317-M336 PolarHBondContact N-O 2.91Å; C317-M336 PolarHBondContact O-N 3.01Å; M336-Y349 HydrophobicContact CE-CD1 4.12Å; M336-Y349 HydrophobicContact SD-CD1 3.64Å; M336-Y349 HydrophobicContact SD-CG 4.4Å; M336-I350 VanDerWaalsContact CA-O 3.29Å; M336-I350 WeakPolarHBondContact CA-O 3.25Å; M336-A351 HydrophobicContact CB-CB 4.15Å; M336-A351 HydrophobicContact CG-CB 4.09Å
337	I	98.7	Very high	97.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.9	170.2	54.5	-89.2	0	0	0	108.8	P78 F80 Y226 V343 I350	P78-I337 HydrophobicContact CB-CD1 4.37Å; F80-I337 HydrophobicContact CE1-CG2 3.79Å; F80-I337 HydrophobicContact CZ-CG2 4.16Å; Y226-I337 HydrophobicContact CD1-CG2 3.86Å; Y226-I337 HydrophobicContact CD2-CG2 4.46Å; Y226-I337 HydrophobicContact CE1-CB 4.34Å; Y226-I337 HydrophobicContact CE1-CG1 4.21Å; Y226-I337 HydrophobicContact CE1-CG2 3.92Å; Y226-I337 HydrophobicContact CG-CG2 4.1Å; I337-V343 HydrophobicContact CB-CG2 4.08Å; I337-V343 HydrophobicContact CG1-CG2 3.7Å; I337-I350 PolarHBondContact N-O 3.09Å; I337-I350 PolarHBondContact O-N 3.33Å
338	S	98.8	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	-174.1	-172.3	83.6	0	0	0	0	112.1	N315 A340 H341 V343 K348 Y349	N315-S338 VanDerWaalsContact O-CB 3.28Å; N315-S338 WeakPolarHBondContact O-CB 3.26Å; N315-S338 PolarHBondContact O-N 3.29Å; N315-S338 PolarHBondContact O-OG 3.03Å; S338-A340 PolarHBondContact O-N 3.19Å; S338-A340 PolarHBondContact OG-N 3.45Å; S338-A340 VanDerWaalsContact OG-N 3.11Å; S338-H341 PolarHBondContact O-N 3.18Å; S338-V343 VanDerWaalsContact O-CG2 3.23Å; S338-V343 WeakPolarHBondContact O-CG2 3.23Å; S338-K348 WeakPolarHBondContact CA-O 3.27Å; S338-K348 WeakPolarHBondContact CB-O 2.86Å; S338-Y349 VanDerWaalsContact CB-CD1 3.42Å
339	Y	98.3	Very high	98.1	Very high	59 Å²	59	24.5 Å²	24.5	23%	0.231	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-45.3	-27.1	167.1	69.2	-90.5	0	0	0	114.3	N315 H341 N342 A344 A345 Q346 K348 Y349	N315-Y339 PolarHBondContact OD1-OH 3.26Å; Y339-H341 PolarHBondContact O-N 2.89Å; Y339-N342 PolarHBondContact O-N 3.5Å; Y339-N342 PolarHBondContact O-OD1 3.41Å; Y339-A344 WeakPolarHBondContact CA-O 3.07Å; Y339-A344 WeakPolarHBondContact CB-O 3.46Å; Y339-A345 WeakPolarHBondContact CB-O 3.45Å; Y339-Q346 VanDerWaalsContact CE2-NE2 3.34Å; Y339-K348 PolarHBondContact N-O 2.84Å; Y339-Y349 HydrophobicContact CE1-CE2 4.49Å
340	A	98.3	Very high	98.3	Very high	24 Å²	24	19 Å²	19	20%	0.198	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-65.5	-15.7	177	0	0	0	0	0	114.2	K103 N315 S338	K103-A340 WeakPolarHBondContact CD-O 3.32Å; K103-A340 WeakPolarHBondContact CE-O 3.39Å; N315-A340 HydrophobicContact CB-CB 3.65Å; S338-A340 PolarHBondContact O-N 3.19Å; S338-A340 PolarHBondContact OG-N 3.45Å; S338-A340 VanDerWaalsContact OG-N 3.11Å
341	H	98.6	Very high	98.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-107.8	9.4	173.3	-64.8	75.8	0	0	0	112.3	Y226 L228 Y229 S316 S338 Y339 V343	Y226-H341 HydrophobicContact CD1-CB 4.21Å; Y226-H341 AromaticContact CD1-CD2 3.71Å; Y226-H341 HydrophobicContact CE1-CB 4.42Å; L228-H341 CarbonylContact C-O 3.58Å; L228-H341 WeakPolarHBondContact CA-O 3.3Å; Y229-H341 PolarHBondContact N-O 2.92Å; S316-H341 WeakPolarHBondContact CB-CE1 3.21Å; S316-H341 PolarHBondContact OG-CE1 3.36Å; S338-H341 PolarHBondContact O-N 3.18Å; Y339-H341 PolarHBondContact O-N 2.89Å; H341-V343 HydrophobicContact CB-CG1 4.38Å; H341-V343 HydrophobicContact CB-CG2 4.25Å; H341-V343 PolarHBondContact O-N 3.09Å
342	N	98.6	Very high	98.5	Very high	60 Å²	60	18.3 Å²	18.3	32%	0.321	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	31.1	-177.2	-53.4	-18.6	0	0	0	114.3	N73 Y229 Y339	N73-N342 PolarHBondContact ND2-O 3.13Å; Y229-N342 HydrophobicContact CD1-CB 3.47Å; Y229-N342 VanDerWaalsContact CD1-CB 3.47Å; Y229-N342 HydrophobicContact CE1-CB 3.46Å; Y229-N342 VanDerWaalsContact CE1-CB 3.46Å; Y229-N342 WeakPolarHBondContact CE1-ND2 3.49Å; Y229-N342 HydrophobicContact CG-CB 4.16Å; Y229-N342 PolarHBondContact OH-ND2 3.47Å; Y339-N342 PolarHBondContact O-N 3.5Å; Y339-N342 PolarHBondContact O-OD1 3.41Å
343	V	98.5	Very high	98.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.099	C	C	.	.	S	Bend	trans	-105.3	-7.6	177.8	-65.5	0	0	0	0	113.6	D71 W72 N73 Y226 I337 S338 H341 I350	D71-V343 CarbonylContact O-C 3.21Å; W72-V343 CarbonylContact C-O 3.59Å; W72-V343 VanDerWaalsContact CA-O 3.3Å; W72-V343 WeakPolarHBondContact CA-O 3.11Å; N73-V343 HydrophobicContact CB-CG1 4.46Å; N73-V343 PolarHBondContact N-O 3.16Å; N73-V343 WeakPolarHBondContact O-CB 3.13Å; Y226-V343 HydrophobicContact CE1-CG1 4.02Å; I337-V343 HydrophobicContact CB-CG2 4.08Å; I337-V343 HydrophobicContact CG1-CG2 3.7Å; S338-V343 VanDerWaalsContact O-CG2 3.23Å; S338-V343 WeakPolarHBondContact O-CG2 3.23Å; H341-V343 HydrophobicContact CB-CG1 4.38Å; H341-V343 HydrophobicContact CB-CG2 4.25Å; H341-V343 PolarHBondContact O-N 3.09Å; V343-I350 HydrophobicContact CB-CD1 4.25Å; V343-I350 HydrophobicContact CG2-CD1 4.09Å; V343-I350 VanDerWaalsContact O-CD1 3.29Å; V343-I350 WeakPolarHBondContact O-CD1 3.35Å
344	A	98.7	Very high	98.6	Very high	5 Å²	5	18.2 Å²	18.2	4%	0.041	10%	0.099	C	C	.	.	S	Bend	trans	-148.1	157.4	-178.8	0	0	0	0	0	110.7	D71 W72 Y339 K348 I350	D71-A344 CarbonylContact O-C 3.54Å; D71-A344 WeakPolarHBondContact O-CA 3.38Å; D71-A344 PolarHBondContact O-N 3.29Å; W72-A344 HydrophobicContact CD2-CB 4.28Å; W72-A344 HydrophobicContact CE3-CB 3.87Å; W72-A344 HydrophobicContact CH2-CB 4.18Å; W72-A344 HydrophobicContact CZ3-CB 3.81Å; Y339-A344 WeakPolarHBondContact CA-O 3.07Å; Y339-A344 WeakPolarHBondContact CB-O 3.46Å; A344-K348 HydrophobicContact CB-CB 4.04Å; A344-I350 HydrophobicContact CB-CD1 4.01Å; A344-I350 HydrophobicContact CB-CG1 4.07Å
345	A	98.6	Very high	98.6	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.033	10%	0.099	C	C	.	.	S	Bend	trans	-58.9	154.4	172.4	0	0	0	0	0	112.2	M66 D71 W72 Y339 G347 K348	M66-A345 VanDerWaalsContact O-CB 3.31Å; M66-A345 WeakPolarHBondContact O-CB 3.14Å; D71-A345 HydrophobicContact CB-CB 4.32Å; W72-A345 HydrophobicContact CZ2-CB 4.25Å; Y339-A345 WeakPolarHBondContact CB-O 3.45Å; A345-G347 PolarHBondContact O-N 3.1Å; A345-K348 HydrophobicContact CB-CG 4.4Å; A345-K348 VanDerWaalsContact O-CB 3.27Å; A345-K348 WeakPolarHBondContact O-CB 3.36Å; A345-K348 PolarHBondContact O-N 2.83Å
346	Q	98.1	Very high	98.6	Very high	151 Å²	151	20.7 Å²	20.7	71%	0.706	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	128.5	-177.1	-174.4	62.8	30.2	0	0	112.5	Y339 K348	Y339-Q346 VanDerWaalsContact CE2-NE2 3.34Å; Q346-K348 VanDerWaalsContact C-N 3.29Å; Q346-K348 PolarHBondContact O-N 2.86Å
347	G	98	Very high	98.5	Very high	32 Å²	32	21.9 Å²	21.9	33%	0.33	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	0.6	-179.8	0	0	0	0	0	115.2	A345 Y349	A345-G347 PolarHBondContact O-N 3.1Å; G347-Y349 WeakPolarHBondContact O-CE2 3.44Å
348	K	98.8	Very high	98.5	Very high	16 Å²	16	25 Å²	25	7%	0.07	14%	0.136	C	C	.	.			trans	-101	148.8	177.1	-59.6	-64.8	-170.4	169.9	0	112.5	S65 W72 I303 L304 S305 S338 Y339 A344 A345 Q346 D377	S65-K348 WeakPolarHBondContact O-CE 3.5Å; S65-K348 PolarHBondContact O-NZ 2.9Å; W72-K348 HydrophobicContact CH2-CB 3.67Å; W72-K348 HydrophobicContact CH2-CG 3.98Å; W72-K348 HydrophobicContact CZ2-CB 3.94Å; W72-K348 HydrophobicContact CZ2-CG 3.84Å; I303-K348 HydrophobicContact CG2-CD 4.49Å; L304-K348 WeakPolarHBondContact O-CA 3.44Å; S305-K348 PolarHBondContact OG-NZ 3.43Å; S338-K348 WeakPolarHBondContact CA-O 3.27Å; S338-K348 WeakPolarHBondContact CB-O 2.86Å; Y339-K348 PolarHBondContact N-O 2.84Å; A344-K348 HydrophobicContact CB-CB 4.04Å; A345-K348 HydrophobicContact CB-CG 4.4Å; A345-K348 VanDerWaalsContact O-CB 3.27Å; A345-K348 WeakPolarHBondContact O-CB 3.36Å; A345-K348 PolarHBondContact O-N 2.83Å; Q346-K348 VanDerWaalsContact C-N 3.29Å; Q346-K348 PolarHBondContact O-N 2.86Å; K348-D377 IonicContact NZ-OD2 2.93Å; K348-D377 PolarHBondContact NZ-OD2 3.43Å
349	Y	98.9	Very high	98.4	Very high	19 Å²	19	28.4 Å²	28.4	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.3	179.8	-52.9	-105.4	0	0	0	109.1	I303 L304 H306 P307 M336 S338 Y339 G347	I303-Y349 WeakPolarHBondContact CA-O 3.34Å; L304-Y349 PolarHBondContact N-O 2.9Å; L304-Y349 PolarHBondContact O-N 2.8Å; H306-Y349 VanDerWaalsContact C-CE2 3.45Å; H306-Y349 WeakPolarHBondContact O-CD2 3.37Å; P307-Y349 HydrophobicContact CB-CE1 4.09Å; M336-Y349 HydrophobicContact CE-CD1 4.12Å; M336-Y349 HydrophobicContact SD-CD1 3.64Å; M336-Y349 HydrophobicContact SD-CG 4.4Å; S338-Y349 VanDerWaalsContact CB-CD1 3.42Å; Y339-Y349 HydrophobicContact CE1-CE2 4.49Å; G347-Y349 WeakPolarHBondContact O-CE2 3.44Å
350	I	98.9	Very high	98.3	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	106.5	174.7	-54.3	172	0	0	0	106.1	W72 V74 I301 C302 M336 I337 V343 A344 I352	W72-I350 HydrophobicContact CE3-CD1 3.99Å; W72-I350 HydrophobicContact CE3-CG1 4.27Å; W72-I350 HydrophobicContact CZ3-CD1 4.1Å; W72-I350 HydrophobicContact CZ3-CG1 3.85Å; V74-I350 HydrophobicContact CB-CD1 4.5Å; V74-I350 HydrophobicContact CG1-CD1 4.39Å; V74-I350 HydrophobicContact CG1-CG2 4.28Å; V74-I350 HydrophobicContact CG2-CD1 3.87Å; I301-I350 HydrophobicContact CG2-CG2 3.79Å; C302-I350 WeakPolarHBondContact O-CA 3.49Å; M336-I350 VanDerWaalsContact CA-O 3.29Å; M336-I350 WeakPolarHBondContact CA-O 3.25Å; I337-I350 PolarHBondContact N-O 3.09Å; I337-I350 PolarHBondContact O-N 3.33Å; V343-I350 HydrophobicContact CB-CD1 4.25Å; V343-I350 HydrophobicContact CG2-CD1 4.09Å; V343-I350 VanDerWaalsContact O-CD1 3.29Å; V343-I350 WeakPolarHBondContact O-CD1 3.35Å; A344-I350 HydrophobicContact CB-CD1 4.01Å; A344-I350 HydrophobicContact CB-CG1 4.07Å; I350-I352 HydrophobicContact CG2-CD1 3.75Å; I350-I352 HydrophobicContact CG2-CG1 3.81Å
351	A	98.8	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.9	172.1	0	0	0	0	0	108.7	C302 L304 I308 V334 C335 M336 L373	C302-A351 WeakPolarHBondContact CA-O 3.11Å; C302-A351 HydrophobicContact CB-CB 4.46Å; C302-A351 WeakPolarHBondContact CB-O 3.44Å; C302-A351 PolarHBondContact N-O 3.47Å; C302-A351 PolarHBondContact O-N 3.37Å; L304-A351 HydrophobicContact CD1-CB 3.91Å; L304-A351 HydrophobicContact CG-CB 4.43Å; I308-A351 HydrophobicContact CD1-CB 4.34Å; V334-A351 HydrophobicContact CG1-CB 4.27Å; C335-A351 WeakPolarHBondContact O-CA 3.45Å; M336-A351 HydrophobicContact CB-CB 4.15Å; M336-A351 HydrophobicContact CG-CB 4.09Å; A351-L373 HydrophobicContact CB-CD1 3.82Å; A351-L373 HydrophobicContact CB-CD2 3.92Å; A351-L373 HydrophobicContact CB-CG 4.48Å
352	I	98.8	Very high	98.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.2	-175.5	-57.7	177.3	0	0	0	107.7	D75 P78 V300 I301 V334 C335 I350	D75-I352 WeakPolarHBondContact O-CD1 3.45Å; P78-I352 HydrophobicContact CB-CD1 4.04Å; P78-I352 HydrophobicContact CG-CB 3.67Å; P78-I352 HydrophobicContact CG-CD1 3.39Å; P78-I352 HydrophobicContact CG-CG1 4.01Å; P78-I352 HydrophobicContact CG-CG2 3.69Å; V300-I352 WeakPolarHBondContact O-CA 3.47Å; I301-I352 HydrophobicContact CB-CG1 4.3Å; I301-I352 HydrophobicContact CG1-CD1 4.11Å; I301-I352 HydrophobicContact CG1-CG1 4.06Å; I301-I352 HydrophobicContact CG1-CG2 4.25Å; I301-I352 HydrophobicContact CG2-CD1 4.31Å; I301-I352 HydrophobicContact CG2-CG1 4.12Å; V334-I352 WeakPolarHBondContact CA-O 3.42Å; C335-I352 PolarHBondContact N-O 3.17Å; C335-I352 VanDerWaalsContact N-O 3.15Å; C335-I352 PolarHBondContact O-N 3.22Å; I350-I352 HydrophobicContact CG2-CD1 3.75Å; I350-I352 HydrophobicContact CG2-CG1 3.81Å
353	V	98.8	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.2	178.9	-174.4	0	0	0	0	108.9	R299 V300 I332 Y333 V334 I366 A369 L370 L373	R299-V353 CarbonylContact C-O 3.54Å; R299-V353 VanDerWaalsContact CA-O 3.26Å; R299-V353 WeakPolarHBondContact CA-O 3.36Å; V300-V353 PolarHBondContact N-O 3.38Å; V300-V353 PolarHBondContact O-N 2.89Å; I332-V353 HydrophobicContact CG2-CG1 3.75Å; Y333-V353 CarbonylContact O-C 3.58Å; Y333-V353 WeakPolarHBondContact O-CA 3.38Å; V334-V353 HydrophobicContact CG1-CG2 4.34Å; V334-V353 HydrophobicContact CG2-CG1 4.43Å; V334-V353 HydrophobicContact CG2-CG2 4.06Å; V353-I366 HydrophobicContact CB-CD1 4.47Å; V353-I366 HydrophobicContact CG1-CB 3.81Å; V353-I366 HydrophobicContact CG1-CD1 4.2Å; V353-I366 HydrophobicContact CG1-CG2 3.93Å; V353-A369 HydrophobicContact CB-CB 4.5Å; V353-A369 HydrophobicContact CG1-CB 3.51Å; V353-A369 HydrophobicContact CG2-CB 4.14Å; V353-L370 HydrophobicContact CG2-CD2 4.12Å; V353-L373 HydrophobicContact CG2-CD1 3.68Å
354	S	98.6	Very high	98.1	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	145.8	176.6	57.2	0	0	0	0	113.6	I298 Y333 A406	I298-S354 WeakPolarHBondContact O-CA 3.45Å; I298-S354 WeakPolarHBondContact O-CB 3.21Å; Y333-S354 PolarHBondContact N-O 2.8Å; Y333-S354 PolarHBondContact O-N 3.03Å; S354-A406 PolarHBondContact OG-O 2.99Å
355	T	98.4	Very high	98.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	164.9	173.8	-169	0	0	0	0	110.5	V297 I298 R328 S330 D331 I332 I366	V297-T355 WeakPolarHBondContact CA-O 3.44Å; V297-T355 WeakPolarHBondContact CG1-O 3.39Å; I298-T355 HydrophobicContact CG2-CG2 3.61Å; I298-T355 PolarHBondContact N-O 2.59Å; I298-T355 VanDerWaalsContact N-O 3.11Å; I298-T355 PolarHBondContact O-N 3.34Å; R328-T355 PolarHBondContact NH2-OG1 2.76Å; S330-T355 PolarHBondContact OG-OG1 2.85Å; D331-T355 WeakPolarHBondContact O-CB 3.21Å; D331-T355 PolarHBondContact O-OG1 3.36Å; I332-T355 HydrophobicContact CG1-CG2 4.34Å; T355-I366 HydrophobicContact CG2-CG2 3.59Å
356	T	97.8	Very high	98	Very high	53 Å²	53	42.9 Å²	42.9	33%	0.325	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135.5	170.7	-54.4	0	0	0	0	108.5	Q296 R328 S330 E358	Q296-T356 WeakPolarHBondContact O-CA 3.49Å; R328-T356 PolarHBondContact NH2-O 3.41Å; S330-T356 PolarHBondContact OG-O 3.28Å; T356-E358 PolarHBondContact O-N 2.66Å
357	V	98.3	Very high	98	Very high	24 Å²	24	41.2 Å²	41.2	15%	0.145	24%	0.235	C	C	.	.			trans	-73	126.6	179.9	179.5	0	0	0	0	110.2	Q296 I298 T359 P362 I383	Q296-V357 HydrophobicContact CB-CB 3.93Å; Q296-V357 HydrophobicContact CB-CG2 3.86Å; Q296-V357 PolarHBondContact O-N 3.32Å; I298-V357 HydrophobicContact CB-CG2 4.22Å; I298-V357 HydrophobicContact CG2-CG2 4.35Å; V357-T359 VanDerWaalsContact CG1-O 3.29Å; V357-T359 WeakPolarHBondContact CG1-O 3.36Å; V357-P362 HydrophobicContact CG1-CB 4.12Å; V357-P362 HydrophobicContact CG1-CG 3.7Å; V357-P362 HydrophobicContact CG2-CB 4.09Å; V357-P362 HydrophobicContact CG2-CG 4.32Å; V357-I383 HydrophobicContact CG2-CG2 4.43Å
358	E	97.6	Very high	98	Very high	67 Å²	67	41.2 Å²	41.2	31%	0.313	23%	0.23	S	C	.	.			trans	-115.1	-15.4	179.4	-69.3	-179.4	-148.4	0	0	113.2	R328 N329 S330 T356 E365	R328-E358 IonicContact CZ-OE1 3.36Å; R328-E358 IonicContact NE-OE1 3.77Å; R328-E358 IonicContact NH2-OE1 2.97Å; R328-E358 PolarHBondContact NH2-OE1 2.87Å; N329-E358 WeakPolarHBondContact CA-OE1 3.47Å; N329-E358 PolarHBondContact N-OE1 2.75Å; N329-E358 PolarHBondContact N-OE2 3.07Å; N329-E358 PolarHBondContact ND2-OE2 3.48Å; S330-E358 WeakPolarHBondContact CB-OE1 3.41Å; S330-E358 PolarHBondContact N-OE1 3.15Å; S330-E358 PolarHBondContact OG-OE1 3.49Å; T356-E358 PolarHBondContact O-N 2.66Å; E358-E365 PolarHBondContact N-OE1 2.88Å; E358-E365 PolarHBondContact N-OE2 3Å
359	T	97.3	Very high	98	Very high	73 Å²	73	40.4 Å²	40.4	45%	0.448	23%	0.226	S	C	.	.	S	Bend	trans	-131.6	176.2	-173.1	80.7	0	0	0	0	112.1	V357 E361 E365	V357-T359 VanDerWaalsContact CG1-O 3.29Å; V357-T359 WeakPolarHBondContact CG1-O 3.36Å; T359-E361 VanDerWaalsContact C-N 3.27Å; T359-E361 PolarHBondContact OG1-N 3.15Å; T359-E361 VanDerWaalsContact OG1-N 3.1Å; T359-E365 WeakPolarHBondContact CA-OE1 3.05Å; T359-E365 VanDerWaalsContact CB-OE1 3.28Å; T359-E365 WeakPolarHBondContact CB-OE1 3.35Å; T359-E365 HydrophobicContact CG2-CG 4.07Å; T359-E365 PolarHBondContact N-OE1 2.87Å; T359-E365 WeakPolarHBondContact OG1-CG 3.12Å; T359-E365 PolarHBondContact OG1-OE1 3.07Å
360	S	96.9	Very high	98	Very high	119 Å²	119	40.4 Å²	40.4	83%	0.832	23%	0.227	S	C	*	.	S	Bend	trans	-80.3	-4.5	172.7	56.7	0	0	0	0	114	P362	S360-P362 WeakPolarHBondContact O-CD 3.47Å
361	E	97.1	Very high	97.9	Very high	135 Å²	135	45.8 Å²	45.8	63%	0.631	25%	0.252	S	S	*	.			trans	-122.6	71.4	-179.8	-63.6	-169.4	150.5	0	0	110.9	T359 E363 A364	T359-E361 VanDerWaalsContact C-N 3.27Å; T359-E361 PolarHBondContact OG1-N 3.15Å; T359-E361 VanDerWaalsContact OG1-N 3.1Å; E361-E363 VanDerWaalsContact C-N 3.27Å; E361-E363 PolarHBondContact O-N 3.37Å; E361-E363 VanDerWaalsContact O-N 3.13Å; E361-A364 HydrophobicContact CB-CB 4.21Å; E361-A364 WeakPolarHBondContact O-CB 3.3Å; E361-A364 PolarHBondContact O-N 2.98Å
362	P	97.3	Very high	97.9	Very high	23 Å²	23	47 Å²	47	15%	0.149	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29	-168	-26.3	38	0	0	0	114.7	I298 V357 S360 E365 I383	I298-P362 HydrophobicContact CB-CB 4.2Å; I298-P362 VanDerWaalsContact CD1-C 3.5Å; I298-P362 HydrophobicContact CD1-CB 3.93Å; I298-P362 VanDerWaalsContact CD1-O 3.29Å; I298-P362 WeakPolarHBondContact CD1-O 3.38Å; I298-P362 HydrophobicContact CG2-CB 4.5Å; V357-P362 HydrophobicContact CG1-CB 4.12Å; V357-P362 HydrophobicContact CG1-CG 3.7Å; V357-P362 HydrophobicContact CG2-CB 4.09Å; V357-P362 HydrophobicContact CG2-CG 4.32Å; S360-P362 WeakPolarHBondContact O-CD 3.47Å; P362-E365 WeakPolarHBondContact O-CB 3.47Å; P362-E365 PolarHBondContact O-N 3.42Å; P362-I383 HydrophobicContact CB-CD1 4.05Å; P362-I383 HydrophobicContact CB-CG1 4.49Å; P362-I383 HydrophobicContact CG-CD1 3.9Å
363	E	96.9	Very high	97.9	Very high	112 Å²	112	47 Å²	47	52%	0.523	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-29.9	177.5	-70.5	-173.6	-125.4	0	0	112.9	I298 E361 E365 I366 V381	I298-E363 HydrophobicContact CD1-CB 4.47Å; I298-E363 HydrophobicContact CD1-CG 3.92Å; E361-E363 VanDerWaalsContact C-N 3.27Å; E361-E363 PolarHBondContact O-N 3.37Å; E361-E363 VanDerWaalsContact O-N 3.13Å; E363-E365 VanDerWaalsContact C-N 3.28Å; E363-E365 PolarHBondContact O-N 2.97Å; E363-I366 WeakPolarHBondContact O-CG1 3.4Å; E363-V381 HydrophobicContact CG-CG1 3.98Å
364	A	97.4	Very high	97.9	Very high	53 Å²	53	52 Å²	52	44%	0.438	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-70.2	-29.8	175.8	0	0	0	0	0	111.3	E361 I366 E367	E361-A364 HydrophobicContact CB-CB 4.21Å; E361-A364 WeakPolarHBondContact O-CB 3.3Å; E361-A364 PolarHBondContact O-N 2.98Å; A364-I366 PolarHBondContact O-N 2.83Å; A364-E367 WeakPolarHBondContact O-CB 3.44Å; A364-E367 PolarHBondContact O-N 3.07Å
365	E	98	Very high	97.9	Very high	13 Å²	13	55.9 Å²	55.9	6%	0.061	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24.5	-179.9	-65.1	-178.4	-140.3	0	0	113.7	R328 I332 E358 T359 P362 E363	R328-E365 IonicContact CZ-OE2 3.15Å; R328-E365 VanDerWaalsContact NH1-CB 3.33Å; R328-E365 VanDerWaalsContact NH1-CG 3.34Å; R328-E365 IonicContact NH1-OE2 3.61Å; R328-E365 PolarHBondContact NH1-OE2 3.27Å; R328-E365 IonicContact NH2-OE2 2.8Å; R328-E365 PolarHBondContact NH2-OE2 3.24Å; I332-E365 VanDerWaalsContact CD1-O 3.26Å; I332-E365 WeakPolarHBondContact CD1-O 3.36Å; E358-E365 PolarHBondContact N-OE1 2.88Å; E358-E365 PolarHBondContact N-OE2 3Å; T359-E365 WeakPolarHBondContact CA-OE1 3.05Å; T359-E365 VanDerWaalsContact CB-OE1 3.28Å; T359-E365 WeakPolarHBondContact CB-OE1 3.35Å; T359-E365 HydrophobicContact CG2-CG 4.07Å; T359-E365 PolarHBondContact N-OE1 2.87Å; T359-E365 WeakPolarHBondContact OG1-CG 3.12Å; T359-E365 PolarHBondContact OG1-OE1 3.07Å; P362-E365 WeakPolarHBondContact O-CB 3.47Å; P362-E365 PolarHBondContact O-N 3.42Å; E363-E365 VanDerWaalsContact C-N 3.28Å; E363-E365 PolarHBondContact O-N 2.97Å
366	I	97.8	Very high	97.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-104.5	4.8	-176.4	61.6	158.9	0	0	0	113.5	I298 V300 I332 V353 T355 E363 A364 P368 A369 L370	I298-I366 HydrophobicContact CD1-CD1 4.08Å; I298-I366 HydrophobicContact CD1-CG1 4.41Å; I298-I366 HydrophobicContact CG2-CG2 3.92Å; V300-I366 HydrophobicContact CB-CD1 3.77Å; V300-I366 HydrophobicContact CG1-CD1 4.5Å; V300-I366 HydrophobicContact CG2-CD1 3.28Å; I332-I366 HydrophobicContact CG2-CG2 4.38Å; V353-I366 HydrophobicContact CB-CD1 4.47Å; V353-I366 HydrophobicContact CG1-CB 3.81Å; V353-I366 HydrophobicContact CG1-CD1 4.2Å; V353-I366 HydrophobicContact CG1-CG2 3.93Å; T355-I366 HydrophobicContact CG2-CG2 3.59Å; E363-I366 WeakPolarHBondContact O-CG1 3.4Å; A364-I366 PolarHBondContact O-N 2.83Å; I366-P368 VanDerWaalsContact C-CD 3.44Å; I366-P368 VanDerWaalsContact C-N 3.34Å; I366-A369 WeakPolarHBondContact O-CB 3.42Å; I366-A369 PolarHBondContact O-N 2.49Å; I366-L370 HydrophobicContact CD1-CD1 3.88Å; I366-L370 HydrophobicContact CD1-CD2 4.26Å; I366-L370 HydrophobicContact CD1-CG 4.07Å; I366-L370 HydrophobicContact CG1-CD1 4.04Å; I366-L370 HydrophobicContact CG1-CG 4.3Å; I366-L370 PolarHBondContact O-N 3.17Å; I366-L370 VanDerWaalsContact O-N 3.08Å
367	E	98	Very high	97.9	Very high	116 Å²	116	58.1 Å²	58.1	54%	0.542	32%	0.317	S	S	.	.	H	α-helix	trans	-51.8	-44.2	179.3	-174.2	171.4	-147.9	0	0	112.9	A364 A369 L370 E371	A364-E367 WeakPolarHBondContact O-CB 3.44Å; A364-E367 PolarHBondContact O-N 3.07Å; E367-A369 PolarHBondContact O-N 2.91Å; E367-A369 VanDerWaalsContact O-N 3.09Å; E367-L370 PolarHBondContact O-N 2.85Å; E367-E371 HydrophobicContact CG-CG 4.46Å; E367-E371 WeakPolarHBondContact O-CG 3.45Å; E367-E371 PolarHBondContact O-N 2.95Å
368	P	98.1	Very high	97.9	Very high	32 Å²	32	59.5 Å²	59.5	21%	0.208	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-28.2	177.1	-25.4	35.2	0	0	0	114.2	V326 I366 L372	V326-P368 HydrophobicContact CG1-CB 3.9Å; V326-P368 HydrophobicContact CG1-CG 3.95Å; I366-P368 VanDerWaalsContact C-CD 3.44Å; I366-P368 VanDerWaalsContact C-N 3.34Å; P368-L372 WeakPolarHBondContact O-CG 3.39Å
369	A	98.5	Very high	97.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-80.6	-41.1	175.1	0	0	0	0	0	111.5	I321 I332 V334 V353 I366 E367 E371 L372 L373	I321-A369 HydrophobicContact CD1-CB 3.73Å; I332-A369 HydrophobicContact CG2-CB 3.87Å; V334-A369 HydrophobicContact CG2-CB 3.8Å; V353-A369 HydrophobicContact CB-CB 4.5Å; V353-A369 HydrophobicContact CG1-CB 3.51Å; V353-A369 HydrophobicContact CG2-CB 4.14Å; I366-A369 WeakPolarHBondContact O-CB 3.42Å; I366-A369 PolarHBondContact O-N 2.49Å; E367-A369 PolarHBondContact O-N 2.91Å; E367-A369 VanDerWaalsContact O-N 3.09Å; A369-E371 VanDerWaalsContact C-N 3.34Å; A369-E371 PolarHBondContact O-N 3.4Å; A369-L372 WeakPolarHBondContact O-CB 3.35Å; A369-L372 PolarHBondContact O-N 2.65Å; A369-L373 WeakPolarHBondContact O-CG 3.48Å
370	L	98.4	Very high	98	Very high	18 Å²	18	56.8 Å²	56.8	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-38	179.9	-65.9	177.6	0	0	0	112.3	V300 V353 I366 E367 L372 L373 E374 I376	V300-L370 HydrophobicContact CG1-CD2 4.43Å; V353-L370 HydrophobicContact CG2-CD2 4.12Å; I366-L370 HydrophobicContact CD1-CD1 3.88Å; I366-L370 HydrophobicContact CD1-CD2 4.26Å; I366-L370 HydrophobicContact CD1-CG 4.07Å; I366-L370 HydrophobicContact CG1-CD1 4.04Å; I366-L370 HydrophobicContact CG1-CG 4.3Å; I366-L370 PolarHBondContact O-N 3.17Å; I366-L370 VanDerWaalsContact O-N 3.08Å; E367-L370 PolarHBondContact O-N 2.85Å; L370-L372 PolarHBondContact O-N 2.93Å; L370-L373 WeakPolarHBondContact O-CB 3.49Å; L370-L373 PolarHBondContact O-N 3.5Å; L370-E374 PolarHBondContact O-N 3.24Å; L370-I376 HydrophobicContact CD2-CD1 4.08Å
371	E	98.2	Very high	98	Very high	117 Å²	117	53.4 Å²	53.4	55%	0.547	28%	0.277	S	S	.	.	H	α-helix	trans	-56.3	-33.3	174.9	-72.7	-178	163	0	0	112.8	E367 A369 L373	E367-E371 HydrophobicContact CG-CG 4.46Å; E367-E371 WeakPolarHBondContact O-CG 3.45Å; E367-E371 PolarHBondContact O-N 2.95Å; A369-E371 VanDerWaalsContact C-N 3.34Å; A369-E371 PolarHBondContact O-N 3.4Å; E371-L373 PolarHBondContact O-N 2.99Å
372	L	98.3	Very high	98.1	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.131	26%	0.259	C	S	.	.	H	α-helix	trans	-69.1	-23.7	177	-58.4	172.4	0	0	0	112.5	Y111 I116 I321 P368 A369 L370	Y111-L372 HydrophobicContact CD2-CD1 4.11Å; Y111-L372 HydrophobicContact CD2-CD2 4.42Å; Y111-L372 HydrophobicContact CE2-CD2 4.37Å; I116-L372 HydrophobicContact CG2-CD1 3.73Å; I116-L372 HydrophobicContact CG2-CD2 4.1Å; I321-L372 HydrophobicContact CD1-CD1 4.27Å; P368-L372 WeakPolarHBondContact O-CG 3.39Å; A369-L372 WeakPolarHBondContact O-CB 3.35Å; A369-L372 PolarHBondContact O-N 2.65Å; L370-L372 PolarHBondContact O-N 2.93Å
373	L	98.6	Very high	98.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-96.2	-15.1	-172	-53.6	-176.3	0	0	0	113.2	C302 L304 H306 I308 V334 A351 V353 A369 L370 E371 I376	C302-L373 HydrophobicContact CB-CD1 4.1Å; L304-L373 HydrophobicContact CD1-CB 4.46Å; L304-L373 HydrophobicContact CD1-CD2 4.38Å; L304-L373 HydrophobicContact CD2-CB 4.16Å; H306-L373 PolarHBondContact CE1-O 3.17Å; H306-L373 VanDerWaalsContact CE1-O 3.29Å; I308-L373 HydrophobicContact CD1-CD2 3.44Å; I308-L373 VanDerWaalsContact CD1-CD2 3.44Å; I308-L373 HydrophobicContact CG1-CD2 3.68Å; I308-L373 HydrophobicContact CG2-CD2 4.35Å; V334-L373 HydrophobicContact CG1-CD2 4.25Å; A351-L373 HydrophobicContact CB-CD1 3.82Å; A351-L373 HydrophobicContact CB-CD2 3.92Å; A351-L373 HydrophobicContact CB-CG 4.48Å; V353-L373 HydrophobicContact CG2-CD1 3.68Å; A369-L373 WeakPolarHBondContact O-CG 3.48Å; L370-L373 WeakPolarHBondContact O-CB 3.49Å; L370-L373 PolarHBondContact O-N 3.5Å; E371-L373 PolarHBondContact O-N 2.99Å; L373-I376 HydrophobicContact CB-CD1 4.03Å; L373-I376 HydrophobicContact CB-CG1 3.97Å
374	E	98.1	Very high	98.2	Very high	107 Å²	107	47.3 Å²	47.3	50%	0.5	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-64.9	141.1	-173.7	-65.1	-167.2	152.8	0	0	114.1	K309 L370	K309-E374 PolarHBondContact NZ-O 3.23Å; L370-E374 PolarHBondContact O-N 3.24Å
375	P	98.5	Very high	98.2	Very high	86 Å²	86	47.3 Å²	47.3	56%	0.558	25%	0.249	S	C	*	.	S	Bend	cis	-78.6	141.6	-0.5	31	-37.7	0	0	0	115.6	H306	H306-P375 WeakPolarHBondContact NE2-CD 3.48Å; H306-P375 PolarHBondContact NE2-O 3.11Å
376	I	98.7	Very high	98.2	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.179	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-102.5	128.6	179	-61.1	163.2	0	0	0	109.9	C302 L304 L370 L373 Q378 K379	C302-I376 HydrophobicContact CB-CD1 4.46Å; C302-I376 HydrophobicContact CB-CG1 4.44Å; C302-I376 HydrophobicContact CB-CG2 3.85Å; L304-I376 HydrophobicContact CD2-CB 4.22Å; L304-I376 HydrophobicContact CD2-CG1 3.77Å; L304-I376 HydrophobicContact CD2-CG2 4.27Å; L370-I376 HydrophobicContact CD2-CD1 4.08Å; L373-I376 HydrophobicContact CB-CD1 4.03Å; L373-I376 HydrophobicContact CB-CG1 3.97Å; I376-Q378 WeakPolarHBondContact CG2-O 3.38Å; I376-K379 VanDerWaalsContact CD1-CE 3.47Å; I376-K379 HydrophobicContact CG2-CG 3.73Å
377	D	98.3	Very high	98.3	Very high	64 Å²	64	51.6 Å²	51.6	34%	0.342	27%	0.267	S	S	.	.	S	Bend	trans	-72.9	-42.2	179.9	-64.7	-12.3	0	0	0	111.6	M66 I303 S305 K348	M66-D377 HydrophobicContact CE-CB 3.75Å; I303-D377 HydrophobicContact CB-CB 4.46Å; I303-D377 HydrophobicContact CG2-CB 4.19Å; I303-D377 WeakPolarHBondContact O-CB 3.4Å; I303-D377 PolarHBondContact O-N 3.24Å; S305-D377 PolarHBondContact N-OD2 3.29Å; S305-D377 PolarHBondContact OG-OD1 2.64Å; S305-D377 PolarHBondContact OG-OD2 3.29Å; K348-D377 IonicContact NZ-OD2 2.93Å; K348-D377 PolarHBondContact NZ-OD2 3.43Å
378	Q	98.3	Very high	98.3	Very high	54 Å²	54	48.3 Å²	48.3	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	145.9	178.8	-179	59.6	-61.6	0	0	111.5	L58 M66 C302 I303 I376 F380	L58-Q378 HydrophobicContact CD1-CG 4.41Å; M66-Q378 HydrophobicContact CE-CB 3.95Å; C302-Q378 WeakPolarHBondContact CA-O 3.3Å; I303-Q378 HydrophobicContact CB-CB 4.46Å; I303-Q378 PolarHBondContact N-O 2.89Å; I376-Q378 WeakPolarHBondContact CG2-O 3.38Å; Q378-F380 HydrophobicContact CB-CE2 4.26Å; Q378-F380 HydrophobicContact CB-CZ 4.46Å; Q378-F380 HydrophobicContact CG-CD2 4.33Å; Q378-F380 HydrophobicContact CG-CE1 4.17Å; Q378-F380 HydrophobicContact CG-CE2 3.61Å; Q378-F380 HydrophobicContact CG-CZ 3.52Å
379	K	98	Very high	98.3	Very high	80 Å²	80	48.1 Å²	48.1	35%	0.348	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.8	174	-61.3	-179.1	-167.6	179	0	111.4	V300 I301 I376	V300-K379 HydrophobicContact CG1-CB 4.19Å; V300-K379 HydrophobicContact CG1-CD 4.49Å; V300-K379 HydrophobicContact CG1-CG 4.44Å; I301-K379 CarbonylContact O-C 3.57Å; I301-K379 VanDerWaalsContact O-CA 3.3Å; I301-K379 WeakPolarHBondContact O-CA 3.47Å; I376-K379 VanDerWaalsContact CD1-CE 3.47Å; I376-K379 HydrophobicContact CG2-CG 3.73Å
380	F	98.4	Very high	98.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	113.9	170.6	-48	-99.7	0	0	0	108.3	L52 Y53 F56 L58 V300 I301 I303 Q378	L52-F380 HydrophobicContact CD2-CD1 4.13Å; L52-F380 HydrophobicContact CD2-CD2 4.03Å; L52-F380 HydrophobicContact CD2-CE1 3.82Å; L52-F380 HydrophobicContact CD2-CE2 3.75Å; L52-F380 HydrophobicContact CD2-CG 4.22Å; L52-F380 HydrophobicContact CD2-CZ 3.64Å; L52-F380 HydrophobicContact CG-CD1 4Å; L52-F380 HydrophobicContact CG-CE1 3.87Å; L52-F380 HydrophobicContact CG-CG 4.42Å; L52-F380 HydrophobicContact CG-CZ 4.21Å; Y53-F380 AromaticContact CD2-CE1 3.73Å; Y53-F380 HydrophobicContact CD2-CE1 3.73Å; Y53-F380 AromaticContact CD2-CZ 3.82Å; Y53-F380 HydrophobicContact CD2-CZ 3.82Å; Y53-F380 AromaticContact CE2-CE1 3.89Å; Y53-F380 HydrophobicContact CE2-CE1 3.89Å; Y53-F380 AromaticContact CE2-CZ 3.54Å; Y53-F380 HydrophobicContact CE2-CZ 3.54Å; Y53-F380 HydrophobicContact CG-CE1 4.22Å; F56-F380 HydrophobicContact CB-CB 4.48Å; F56-F380 HydrophobicContact CB-CD1 3.89Å; F56-F380 HydrophobicContact CD1-CB 3.71Å; F56-F380 HydrophobicContact CD2-CB 3.87Å; F56-F380 AromaticContact CD2-CD1 3.83Å; F56-F380 HydrophobicContact CD2-CD1 3.83Å; F56-F380 HydrophobicContact CD2-CG 4.23Å; F56-F380 HydrophobicContact CE1-CB 3.74Å; F56-F380 HydrophobicContact CE2-CB 3.94Å; F56-F380 HydrophobicContact CG-CB 3.76Å; F56-F380 AromaticContact CG-CD1 3.87Å; F56-F380 HydrophobicContact CG-CD1 3.87Å; F56-F380 HydrophobicContact CG-CG 4.3Å; F56-F380 HydrophobicContact CZ-CB 3.86Å; L58-F380 HydrophobicContact CD1-CD1 3.73Å; L58-F380 HydrophobicContact CD1-CE1 3.43Å; L58-F380 VanDerWaalsContact CD1-CE1 3.43Å; L58-F380 HydrophobicContact CD1-CZ 4.31Å; V300-F380 WeakPolarHBondContact CA-O 3.48Å; I301-F380 HydrophobicContact CB-CB 4.14Å; I301-F380 HydrophobicContact CB-CD2 4.06Å; I301-F380 HydrophobicContact CG2-CD2 4.07Å; I301-F380 PolarHBondContact N-O 3.32Å; I301-F380 PolarHBondContact O-N 3Å; I303-F380 HydrophobicContact CD1-CE2 3.66Å; I303-F380 HydrophobicContact CD1-CZ 4.03Å; I303-F380 HydrophobicContact CG1-CE2 4.01Å; Q378-F380 HydrophobicContact CB-CE2 4.26Å; Q378-F380 HydrophobicContact CB-CZ 4.46Å; Q378-F380 HydrophobicContact CG-CD2 4.33Å; Q378-F380 HydrophobicContact CG-CE1 4.17Å; Q378-F380 HydrophobicContact CG-CE2 3.61Å; Q378-F380 HydrophobicContact CG-CZ 3.52Å
381	V	98.1	Very high	98	Very high	48 Å²	48	53.2 Å²	53.2	29%	0.291	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.6	-173.4	-177.7	0	0	0	0	109.7	F56 I298 V300 E363	F56-V381 WeakPolarHBondContact CE1-O 3.29Å; I298-V381 HydrophobicContact CD1-CG1 4.29Å; V300-V381 HydrophobicContact CG1-CG2 4.12Å; V300-V381 HydrophobicContact CG2-CB 4.29Å; V300-V381 HydrophobicContact CG2-CG1 4.05Å; V300-V381 HydrophobicContact CG2-CG2 3.92Å; E363-V381 HydrophobicContact CG-CG1 3.98Å
382	A	98	Very high	97.9	Very high	31 Å²	31	51.4 Å²	51.4	26%	0.256	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.8	172.7	0	0	0	0	0	110	F56 I298 R299	F56-A382 HydrophobicContact CE1-CB 3.88Å; F56-A382 HydrophobicContact CZ-CB 4.21Å; I298-A382 CarbonylContact C-O 3.6Å; I298-A382 WeakPolarHBondContact CA-O 3.37Å; R299-A382 PolarHBondContact N-O 2.95Å; R299-A382 PolarHBondContact O-N 3.48Å
383	I	98.2	Very high	97.9	Very high	84 Å²	84	50.2 Å²	50.2	43%	0.431	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.8	168.8	-60.3	164	0	0	0	106.9	V297 I298 V357 P362	V297-I383 WeakPolarHBondContact O-CA 3.26Å; I298-I383 HydrophobicContact CB-CG1 4.33Å; I298-I383 HydrophobicContact CG1-CG1 4.28Å; V357-I383 HydrophobicContact CG2-CG2 4.43Å; P362-I383 HydrophobicContact CB-CD1 4.05Å; P362-I383 HydrophobicContact CB-CG1 4.49Å; P362-I383 HydrophobicContact CG-CD1 3.9Å
384	S	97.6	Very high	97.8	Very high	27 Å²	27	53.5 Å²	53.5	19%	0.189	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.5	-176.1	-56.5	0	0	0	0	110.4	Q296 V297	Q296-S384 CarbonylContact C-O 3.55Å; Q296-S384 VanDerWaalsContact CA-O 3.29Å; Q296-S384 WeakPolarHBondContact CA-O 3.49Å; V297-S384 PolarHBondContact N-O 3.28Å; V297-S384 PolarHBondContact O-N 2.88Å
385	D	98.3	Very high	97.8	Very high	53 Å²	53	56.6 Å²	56.6	28%	0.283	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.6	167.4	-75.5	-2.4	0	0	0	109.9	K293 Q296 Y387	K293-D385 HydrophobicContact CD-CB 4.48Å; K293-D385 VanDerWaalsContact CE-CG 3.45Å; K293-D385 VanDerWaalsContact CE-OD1 3.3Å; K293-D385 WeakPolarHBondContact CE-OD1 3.37Å; K293-D385 WeakPolarHBondContact CE-OD2 3.49Å; K293-D385 IonicContact NZ-OD1 2.68Å; K293-D385 PolarHBondContact NZ-OD1 2.69Å; K293-D385 IonicContact NZ-OD2 3.13Å; K293-D385 PolarHBondContact NZ-OD2 2.93Å; Q296-D385 VanDerWaalsContact CG-OD1 3.27Å; Q296-D385 WeakPolarHBondContact CG-OD1 3.17Å; Q296-D385 PolarHBondContact NE2-OD1 3.3Å; D385-Y387 HydrophobicContact CB-CD2 4.3Å; D385-Y387 HydrophobicContact CB-CE2 3.48Å; D385-Y387 VanDerWaalsContact CB-CE2 3.48Å; D385-Y387 PolarHBondContact OD2-OH 2.8Å
386	L	98.3	Very high	97.8	Very high	22 Å²	22	52.7 Å²	52.7	12%	0.115	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.5	171.2	-60.9	-173.9	0	0	0	109.6	K293 A294 G295 V297 Y404	K293-L386 CarbonylContact C-O 3.52Å; K293-L386 WeakPolarHBondContact CA-O 3.35Å; A294-L386 HydrophobicContact CB-CB 4.47Å; A294-L386 PolarHBondContact N-O 3.05Å; G295-L386 PolarHBondContact O-N 2.91Å; V297-L386 HydrophobicContact CB-CD2 4.5Å; V297-L386 HydrophobicContact CG2-CD1 3.6Å; V297-L386 HydrophobicContact CG2-CD2 3.87Å; V297-L386 HydrophobicContact CG2-CG 3.84Å; L386-Y404 VanDerWaalsContact CD2-O 3.28Å; L386-Y404 WeakPolarHBondContact CD2-O 3.16Å
387	Y	98.6	Very high	97.8	Very high	83 Å²	83	52.6 Å²	52.6	33%	0.325	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.2	177.1	-66.2	-84.6	0	0	0	111.2	P284 V291 R292 K293 D385 S403	P284-Y387 HydrophobicContact CB-CG 4.34Å; V291-Y387 HydrophobicContact CB-CD1 4.36Å; V291-Y387 HydrophobicContact CG2-CD1 3.83Å; V291-Y387 HydrophobicContact CG2-CG 4.31Å; R292-Y387 WeakPolarHBondContact O-CA 3.42Å; K293-Y387 HydrophobicContact CB-CD1 4.49Å; K293-Y387 HydrophobicContact CB-CE1 4.2Å; D385-Y387 HydrophobicContact CB-CD2 4.3Å; D385-Y387 HydrophobicContact CB-CE2 3.48Å; D385-Y387 VanDerWaalsContact CB-CE2 3.48Å; D385-Y387 PolarHBondContact OD2-OH 2.8Å; Y387-S403 PolarHBondContact N-OG 3.17Å; Y387-S403 PolarHBondContact O-N 2.93Å; Y387-S403 PolarHBondContact O-OG 2.82Å
388	E	98.2	Very high	97.8	Very high	47 Å²	47	49.8 Å²	49.8	22%	0.22	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.6	170	68.2	-178.1	-173.5	0	0	110.5	V291 R292 A294 R402	V291-E388 WeakPolarHBondContact CA-O 3.46Å; R292-E388 HydrophobicContact CG-CG 3.86Å; R292-E388 IonicContact CZ-OE1 2.91Å; R292-E388 PolarHBondContact N-O 2.74Å; R292-E388 IonicContact NE-OE1 2.89Å; R292-E388 PolarHBondContact NE-OE1 3.07Å; R292-E388 IonicContact NH2-OE1 3.3Å; R292-E388 PolarHBondContact NH2-OE1 3.34Å; R292-E388 PolarHBondContact O-N 3.14Å; A294-E388 HydrophobicContact CB-CB 4.43Å; A294-E388 HydrophobicContact CB-CG 4.04Å; E388-R402 HydrophobicContact CB-CG 4.1Å
389	P	97.9	Very high	97.8	Very high	27 Å²	27	47.2 Å²	47.2	18%	0.175	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	142.1	179.5	26.7	-34.6	0	0	0	111.8	A400	P389-A400 HydrophobicContact CB-CB 3.91Å; P389-A400 HydrophobicContact CG-CB 4.47Å
390	T	97.6	Very high	97.8	Very high	89 Å²	89	43.5 Å²	43.5	55%	0.546	23%	0.234	S	C	.	.	S	Bend	trans	-94	-9.9	170.7	58.3	0	0	0	0	112.9	R290 R292	R290-T390 PolarHBondContact O-N 3.33Å; R290-T390 PolarHBondContact O-OG1 3.02Å; R292-T390 HydrophobicContact CB-CG2 3.75Å; R292-T390 HydrophobicContact CG-CG2 3.83Å
391	D	95	Very high	97.8	Very high	36 Å²	36	43.5 Å²	43.5	19%	0.193	23%	0.234	C	C	.	.	S	Bend	trans	-121.3	128.6	179.6	177	6.8	0	0	0	108.3	R290 G393 S396	R290-D391 IonicContact NH1-OD2 3.97Å; R290-D391 PolarHBondContact NH1-OD2 2.97Å; D391-G393 PolarHBondContact O-N 3.08Å; D391-G393 PolarHBondContact OD1-N 3.09Å; D391-S396 VanDerWaalsContact OD2-CB 3.22Å; D391-S396 WeakPolarHBondContact OD2-CB 3.48Å; D391-S396 PolarHBondContact OD2-OG 3Å
392	D	95.9	Very high	97.9	Very high	80 Å²	80	46.9 Å²	46.9	43%	0.428	24%	0.242	S	C	.	.			trans	-76.9	-8.9	178.5	76.9	3	0	0	0	112.6	T394 R423	D392-T394 VanDerWaalsContact C-N 3.28Å; D392-T394 PolarHBondContact O-N 2.75Å; D392-T394 WeakPolarHBondContact OD1-CB 3.29Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.07Å; D392-T394 PolarHBondContact OD1-N 2.81Å; D392-T394 PolarHBondContact OD1-OG1 3.2Å; D392-T394 PolarHBondContact OD2-OG1 3.19Å; D392-R423 VanDerWaalsContact O-CD 3.29Å; D392-R423 WeakPolarHBondContact O-CD 3.29Å; D392-R423 PolarHBondContact O-NH1 2.97Å
393	G	97.7	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	82	-2	176	0	0	0	0	0	114.3	D391 E395 Q397 V398 F399	D391-G393 PolarHBondContact O-N 3.08Å; D391-G393 PolarHBondContact OD1-N 3.09Å; G393-E395 PolarHBondContact O-N 2.74Å; G393-Q397 WeakPolarHBondContact O-CA 3.3Å; G393-Q397 PolarHBondContact O-N 3.35Å; G393-Q397 PolarHBondContact O-NE2 3.45Å; G393-V398 WeakPolarHBondContact CA-O 3.34Å; G393-F399 WeakPolarHBondContact O-CE1 3.2Å; G393-F399 VanDerWaalsContact O-CZ 3.29Å; G393-F399 WeakPolarHBondContact O-CZ 3.29Å
394	T	97.1	Very high	97.9	Very high	69 Å²	69	44 Å²	44	42%	0.423	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-35	-176.5	58.5	0	0	0	0	112.4	D392 Q397	D392-T394 VanDerWaalsContact C-N 3.28Å; D392-T394 PolarHBondContact O-N 2.75Å; D392-T394 WeakPolarHBondContact OD1-CB 3.29Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.07Å; D392-T394 PolarHBondContact OD1-N 2.81Å; D392-T394 PolarHBondContact OD1-OG1 3.2Å; D392-T394 PolarHBondContact OD2-OG1 3.19Å; T394-Q397 PolarHBondContact O-NE2 2.81Å
395	E	97.4	Very high	97.8	Very high	171 Å²	171	43.6 Å²	43.6	80%	0.799	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-49.8	173.8	-63.4	-172.8	171.6	0	0	111.8	G393 Q397	G393-E395 PolarHBondContact O-N 2.74Å; E395-Q397 VanDerWaalsContact C-N 3.3Å; E395-Q397 PolarHBondContact O-N 3.19Å
396	S	98.1	Very high	97.7	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.028	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.9	-174.5	66.3	0	0	0	0	114	G263 K264 V265 D391 V398	G263-S396 WeakPolarHBondContact O-CA 3.44Å; K264-S396 CarbonylContact C-O 3.6Å; K264-S396 WeakPolarHBondContact CA-O 3.29Å; V265-S396 PolarHBondContact N-O 2.85Å; D391-S396 VanDerWaalsContact OD2-CB 3.22Å; D391-S396 WeakPolarHBondContact OD2-CB 3.48Å; D391-S396 PolarHBondContact OD2-OG 3Å; S396-V398 PolarHBondContact O-N 3.14Å; S396-V398 PolarHBondContact OG-N 2.97Å
397	Q	98.7	Very high	97.6	Very high	34 Å²	34	40.3 Å²	40.3	16%	0.159	20%	0.203	C	C	.	.			trans	57.4	25.4	-168.4	-60.6	-63.3	-71.4	0	0	113.8	K264 V265 Q279 L280 G393 T394 E395 F399	K264-Q397 HydrophobicContact CD-CG 4.25Å; K264-Q397 HydrophobicContact CG-CB 4.21Å; K264-Q397 HydrophobicContact CG-CG 4Å; V265-Q397 HydrophobicContact CG1-CB 3.89Å; V265-Q397 VanDerWaalsContact CG1-O 3.32Å; V265-Q397 WeakPolarHBondContact CG1-O 3.37Å; Q279-Q397 HydrophobicContact CG-CB 4.45Å; L280-Q397 PolarHBondContact N-O 3.11Å; G393-Q397 WeakPolarHBondContact O-CA 3.3Å; G393-Q397 PolarHBondContact O-N 3.35Å; G393-Q397 PolarHBondContact O-NE2 3.45Å; T394-Q397 PolarHBondContact O-NE2 2.81Å; E395-Q397 VanDerWaalsContact C-N 3.3Å; E395-Q397 PolarHBondContact O-N 3.19Å; Q397-F399 HydrophobicContact CB-CE2 4.31Å
398	V	98.6	Very high	97.2	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.6	171.4	-178.3	0	0	0	0	108.6	M260 V265 L280 I287 G393 S396	M260-V398 HydrophobicContact CE-CG2 4.14Å; M260-V398 HydrophobicContact SD-CG2 4.16Å; V265-V398 HydrophobicContact CB-CG2 3.86Å; V265-V398 HydrophobicContact CG1-CG2 4.19Å; V265-V398 HydrophobicContact CG2-CG2 4.5Å; L280-V398 HydrophobicContact CB-CG2 4.44Å; L280-V398 HydrophobicContact CD2-CG1 4.16Å; L280-V398 HydrophobicContact CD2-CG2 4.27Å; I287-V398 HydrophobicContact CD1-CG1 4.32Å; I287-V398 HydrophobicContact CG2-CG1 4.25Å; G393-V398 WeakPolarHBondContact CA-O 3.34Å; S396-V398 PolarHBondContact O-N 3.14Å; S396-V398 PolarHBondContact OG-N 2.97Å
399	F	98.7	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	101.5	-175.3	-57.1	-84.4	0	0	0	110	Q279 L280 I281 C282 G393 Q397 I420 R423 M424	Q279-F399 HydrophobicContact CB-CE2 4.13Å; Q279-F399 HydrophobicContact CG-CE2 4.15Å; L280-F399 PolarHBondContact O-N 3.49Å; I281-F399 WeakPolarHBondContact CA-O 3.33Å; C282-F399 PolarHBondContact N-O 2.9Å; C282-F399 VanDerWaalsContact N-O 3.13Å; G393-F399 WeakPolarHBondContact O-CE1 3.2Å; G393-F399 VanDerWaalsContact O-CZ 3.29Å; G393-F399 WeakPolarHBondContact O-CZ 3.29Å; Q397-F399 HydrophobicContact CB-CE2 4.31Å; F399-I420 HydrophobicContact CB-CG2 4.02Å; F399-R423 HydrophobicContact CD1-CB 3.9Å; F399-R423 VanDerWaalsContact CE1-C 3.49Å; F399-R423 HydrophobicContact CE1-CB 3.85Å; F399-R423 WeakPolarHBondContact CE1-O 3.31Å; F399-M424 HydrophobicContact CB-CG 4.08Å; F399-M424 HydrophobicContact CB-SD 4.47Å; F399-M424 HydrophobicContact CD1-CG 3.69Å; F399-M424 HydrophobicContact CD2-CE 4.31Å; F399-M424 HydrophobicContact CD2-CG 3.48Å; F399-M424 VanDerWaalsContact CD2-CG 3.48Å; F399-M424 HydrophobicContact CD2-SD 4.26Å; F399-M424 HydrophobicContact CE1-CB 4.49Å; F399-M424 HydrophobicContact CE1-CG 3.94Å; F399-M424 HydrophobicContact CE2-CB 4.46Å; F399-M424 HydrophobicContact CE2-CG 3.74Å; F399-M424 HydrophobicContact CG-CG 3.45Å; F399-M424 VanDerWaalsContact CG-CG 3.45Å; F399-M424 HydrophobicContact CG-SD 4.34Å; F399-M424 HydrophobicContact CZ-CB 4.39Å; F399-M424 HydrophobicContact CZ-CG 3.96Å
400	A	98.4	Very high	96.8	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.017	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	145.5	177.4	0	0	0	0	0	113.1	C282 I287 P389 R423	C282-A400 VanDerWaalsContact O-CA 3.24Å; C282-A400 WeakPolarHBondContact O-CA 3.38Å; I287-A400 HydrophobicContact CD1-CB 3.31Å; I287-A400 HydrophobicContact CG1-CB 4.35Å; P389-A400 HydrophobicContact CB-CB 3.91Å; P389-A400 HydrophobicContact CG-CB 4.47Å; A400-R423 PolarHBondContact O-NH2 3.26Å
401	S	98.6	Very high	96.4	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.021	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-83.3	168.1	167.2	62.6	0	0	0	0	112.7	E16 C282 P284 D416	E16-S401 WeakPolarHBondContact OE1-CB 3.24Å; E16-S401 PolarHBondContact OE1-OG 2.83Å; C282-S401 PolarHBondContact O-N 2.86Å; C282-S401 VanDerWaalsContact O-N 3.08Å; P284-S401 WeakPolarHBondContact CG-O 3.5Å; S401-D416 WeakPolarHBondContact CA-OD2 3.45Å; S401-D416 WeakPolarHBondContact CB-OD2 3.44Å
402	R	98.6	Very high	96.3	Very high	119 Å²	119	30.8 Å²	30.8	45%	0.449	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-93.4	148.7	171.1	-64.4	174.1	179.3	169	2.7	110.3	E388 D416	E388-R402 HydrophobicContact CB-CG 4.1Å; R402-D416 WeakPolarHBondContact CD-OD1 3.35Å; R402-D416 WeakPolarHBondContact CG-OD1 3.41Å; R402-D416 PolarHBondContact N-OD2 2.89Å; R402-D416 IonicContact NE-OD1 2.81Å
403	S	98.4	Very high	96.3	Very high	33 Å²	33	27.3 Å²	27.3	23%	0.231	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-59.6	146.1	169.5	-59.2	0	0	0	0	111.4	Y387 D405	Y387-S403 PolarHBondContact N-OG 3.17Å; Y387-S403 PolarHBondContact O-N 2.93Å; Y387-S403 PolarHBondContact O-OG 2.82Å; S403-D405 PolarHBondContact O-N 3.11Å
404	Y	98	Very high	96.2	Very high	22 Å²	22	27.4 Å²	27.4	9%	0.086	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-65.8	121.6	177.9	-59.2	-77.5	0	0	0	111.6	L14 T15 S43 I77 R299 L386 T413	L14-Y404 PolarHBondContact N-OH 2.9Å; T15-Y404 PolarHBondContact N-OH 3.39Å; T15-Y404 VanDerWaalsContact N-OH 3.12Å; S43-Y404 WeakPolarHBondContact OG-CE2 3.26Å; I77-Y404 HydrophobicContact CD1-CD2 3.98Å; I77-Y404 HydrophobicContact CD1-CG 4.35Å; I77-Y404 HydrophobicContact CG2-CG 4.45Å; R299-Y404 PolarHBondContact NH2-O 3.49Å; L386-Y404 VanDerWaalsContact CD2-O 3.28Å; L386-Y404 WeakPolarHBondContact CD2-O 3.16Å; Y404-T413 HydrophobicContact CD1-CG2 4.35Å; Y404-T413 HydrophobicContact CE1-CG2 3.85Å
405	D	96.8	Very high	96	Very high	17 Å²	17	27.1 Å²	27.1	9%	0.091	13%	0.132	C	C	.	.			trans	-70.4	178.4	177.9	69.6	17.2	0	0	0	113.3	K79 R193 R299 S403 T407 T412	K79-D405 PolarHBondContact NZ-O 2.96Å; K79-D405 IonicContact NZ-OD1 2.76Å; K79-D405 PolarHBondContact NZ-OD1 2.95Å; R193-D405 IonicContact CZ-OD2 3.27Å; R193-D405 IonicContact NH1-OD2 2.99Å; R193-D405 PolarHBondContact NH1-OD2 3.24Å; R299-D405 PolarHBondContact NH2-O 2.77Å; S403-D405 PolarHBondContact O-N 3.11Å; D405-T407 PolarHBondContact O-N 2.77Å; D405-T407 WeakPolarHBondContact OD1-CB 3.46Å; D405-T407 PolarHBondContact OD1-N 2.9Å; D405-T407 PolarHBondContact OD1-OG1 3.04Å; D405-T412 VanDerWaalsContact CG-OG1 3.32Å; D405-T412 PolarHBondContact OD1-OG1 2.84Å; D405-T412 VanDerWaalsContact OD2-CB 3.28Å; D405-T412 WeakPolarHBondContact OD2-CB 3.43Å; D405-T412 WeakPolarHBondContact OD2-CG2 3.23Å; D405-T412 PolarHBondContact OD2-OG1 2.93Å
406	A	96.2	Very high	96	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.033	10%	0.096	C	C	.	.	S	Bend	trans	-70.6	-9.9	-179.9	0	0	0	0	0	114.8	V297 Y333 S354	V297-A406 HydrophobicContact CG1-CB 3.82Å; V297-A406 HydrophobicContact CG2-CB 3.95Å; Y333-A406 HydrophobicContact CD2-CB 4.44Å; Y333-A406 WeakPolarHBondContact CD2-O 3.37Å; S354-A406 PolarHBondContact OG-O 2.99Å
407	T	94.6	Very high	96	Very high	3 Å²	3	19 Å²	19	2%	0.018	9%	0.094	C	C	.	.			trans	-65	149	-177.7	64.2	0	0	0	0	110.5	K79 R193 Y333 D405 H409	K79-T407 PolarHBondContact NZ-O 2.72Å; K79-T407 PolarHBondContact NZ-OG1 3.15Å; R193-T407 HydrophobicContact CG-CG2 3.68Å; Y333-T407 HydrophobicContact CE2-CG2 4.27Å; D405-T407 PolarHBondContact O-N 2.77Å; D405-T407 WeakPolarHBondContact OD1-CB 3.46Å; D405-T407 PolarHBondContact OD1-N 2.9Å; D405-T407 PolarHBondContact OD1-OG1 3.04Å; T407-H409 VanDerWaalsContact C-N 3.32Å; T407-H409 PolarHBondContact OG1-O 3.3Å
408	T	91.6	Very high	95.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	10%	0.099	C	C	.	.	S	Bend	trans	-99.3	27.9	177.2	47.8	0	0	0	0	111.9	K79 F80 Q318 Y333 C335	K79-T408 WeakPolarHBondContact CA-O 3.36Å; F80-T408 PolarHBondContact N-O 3.22Å; Q318-T408 PolarHBondContact NE2-O 3.13Å; Q318-T408 PolarHBondContact NE2-OG1 3.43Å; Q318-T408 PolarHBondContact OE1-OG1 3.4Å; Y333-T408 VanDerWaalsContact CB-CG2 3.49Å; Y333-T408 HydrophobicContact CG-CG2 4.38Å; C335-T408 HydrophobicContact CB-CG2 3.89Å
409	H	93.4	Very high	95.8	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.023	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-143.7	163.8	174	55.2	73.7	0	0	0	110.6	F80 T407	F80-H409 VanDerWaalsContact O-CA 3.25Å; F80-H409 WeakPolarHBondContact O-CA 3.23Å; T407-H409 VanDerWaalsContact C-N 3.32Å; T407-H409 PolarHBondContact OG1-O 3.3Å
410	F	93.8	Very high	95.7	Very high	10 Å²	10	22.9 Å²	22.9	4%	0.044	11%	0.113	C	C	.	.	S	Bend	trans	-90.8	3.9	-170.3	-77.3	-69.4	0	0	0	116.9	L14 K79 F80 L81 L87 L231 T412 T413 C414	L14-F410 HydrophobicContact CD2-CD1 3.78Å; L14-F410 HydrophobicContact CD2-CE1 3.13Å; L14-F410 HydrophobicContact CD2-CE2 4.3Å; L14-F410 HydrophobicContact CD2-CZ 3.41Å; L14-F410 VanDerWaalsContact CD2-CZ 3.41Å; K79-F410 HydrophobicContact CB-CD1 3.93Å; K79-F410 HydrophobicContact CB-CD2 3.74Å; K79-F410 HydrophobicContact CB-CE1 3.66Å; K79-F410 HydrophobicContact CB-CE2 3.51Å; K79-F410 HydrophobicContact CB-CG 3.98Å; K79-F410 HydrophobicContact CB-CZ 3.48Å; K79-F410 VanDerWaalsContact CB-CZ 3.48Å; K79-F410 HydrophobicContact CD-CD1 3.65Å; K79-F410 HydrophobicContact CD-CE1 3.62Å; K79-F410 HydrophobicContact CD-CG 4.33Å; K79-F410 HydrophobicContact CD-CZ 4.32Å; K79-F410 HydrophobicContact CG-CD1 4.43Å; K79-F410 HydrophobicContact CG-CE1 4.2Å; K79-F410 HydrophobicContact CG-CZ 4.43Å; K79-F410 WeakPolarHBondContact O-CE2 3.4Å; F80-F410 WeakPolarHBondContact O-CD2 3.19Å; F80-F410 PolarHBondContact O-N 3.43Å; L81-F410 HydrophobicContact CD1-CD2 4.21Å; L81-F410 HydrophobicContact CD1-CE2 3.97Å; L81-F410 HydrophobicContact CG-CD2 3.91Å; L81-F410 HydrophobicContact CG-CE2 4.14Å; L87-F410 HydrophobicContact CB-CB 4.44Å; L87-F410 HydrophobicContact CD2-CB 3.5Å; L87-F410 VanDerWaalsContact CD2-CB 3.5Å; L87-F410 HydrophobicContact CD2-CD1 4.08Å; L87-F410 HydrophobicContact CD2-CD2 3.38Å; L87-F410 HydrophobicContact CD2-CE2 4Å; L87-F410 HydrophobicContact CD2-CG 3.38Å; L231-F410 HydrophobicContact CD1-CE2 4.26Å; L231-F410 HydrophobicContact CD1-CZ 3.73Å; L231-F410 HydrophobicContact CD2-CE2 3.73Å; L231-F410 HydrophobicContact CD2-CZ 3.77Å; L231-F410 HydrophobicContact CG-CZ 4.39Å; F410-T412 PolarHBondContact O-N 2.86Å; F410-T413 HydrophobicContact CD1-CG2 4.16Å; F410-T413 CarbonylContact O-C 3.59Å; F410-T413 WeakPolarHBondContact O-CB 3.46Å; F410-T413 PolarHBondContact O-N 3.27Å; F410-T413 VanDerWaalsContact O-N 3.15Å; F410-C414 PolarHBondContact O-N 3.37Å; F410-C414 PolarHBondContact O-SG 2.71Å
411	E	89.8	Confident	95.7	Very high	32 Å²	32	23.6 Å²	23.6	15%	0.15	12%	0.115	C	C	.	.	H	α-helix	trans	-57.3	-44.1	-173.9	-170	61.2	-161.4	0	0	113.5	C414 N415	E411-C414 WeakPolarHBondContact O-CB 3.34Å; E411-C414 PolarHBondContact O-N 3.42Å; E411-N415 PolarHBondContact O-N 3.2Å; E411-N415 PolarHBondContact O-ND2 3.21Å
412	T	92.7	Very high	95.6	Very high	34 Å²	34	28 Å²	28	21%	0.209	13%	0.134	C	C	.	.	H	α-helix	trans	-69.8	-34.7	178.7	53.3	0	0	0	0	112.2	D405 F410 N415 D416	D405-T412 VanDerWaalsContact CG-OG1 3.32Å; D405-T412 PolarHBondContact OD1-OG1 2.84Å; D405-T412 VanDerWaalsContact OD2-CB 3.28Å; D405-T412 WeakPolarHBondContact OD2-CB 3.43Å; D405-T412 WeakPolarHBondContact OD2-CG2 3.23Å; D405-T412 PolarHBondContact OD2-OG1 2.93Å; F410-T412 PolarHBondContact O-N 2.86Å; T412-N415 PolarHBondContact O-N 3.32Å; T412-D416 PolarHBondContact O-N 3.13Å; T412-D416 VanDerWaalsContact O-N 3.15Å
413	T	95.9	Very high	95.5	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-39.8	170.7	-55.8	0	0	0	0	111.9	Y404 F410 N415 D416 I417	Y404-T413 HydrophobicContact CD1-CG2 4.35Å; Y404-T413 HydrophobicContact CE1-CG2 3.85Å; F410-T413 HydrophobicContact CD1-CG2 4.16Å; F410-T413 CarbonylContact O-C 3.59Å; F410-T413 WeakPolarHBondContact O-CB 3.46Å; F410-T413 PolarHBondContact O-N 3.27Å; F410-T413 VanDerWaalsContact O-N 3.15Å; T413-N415 VanDerWaalsContact C-N 3.33Å; T413-N415 PolarHBondContact O-N 2.98Å; T413-D416 PolarHBondContact O-N 2.88Å; T413-I417 HydrophobicContact CG2-CD1 4.11Å; T413-I417 WeakPolarHBondContact O-CG1 3.33Å; T413-I417 PolarHBondContact O-N 2.95Å
414	C	93.9	Very high	95.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-63.9	-39.9	175.9	-65.9	0	0	0	0	112.2	Q86 L87 F410 E411 D416 I417 K418	Q86-C414 HydrophobicContact CB-CB 4.12Å; L87-C414 WeakPolarHBondContact CB-SG 2.95Å; L87-C414 PolarHBondContact N-SG 3.22Å; L87-C414 VanDerWaalsContact N-SG 3.42Å; F410-C414 PolarHBondContact O-N 3.37Å; F410-C414 PolarHBondContact O-SG 2.71Å; E411-C414 WeakPolarHBondContact O-CB 3.34Å; E411-C414 PolarHBondContact O-N 3.42Å; C414-D416 VanDerWaalsContact C-N 3.29Å; C414-D416 PolarHBondContact O-N 3.17Å; C414-I417 PolarHBondContact O-N 3.19Å; C414-K418 WeakPolarHBondContact O-CG 3.36Å; C414-K418 PolarHBondContact O-N 3.49Å
415	N	94	Very high	95.3	Very high	63 Å²	63	24.6 Å²	24.6	34%	0.337	12%	0.123	S	C	.	.	H	α-helix	trans	-61.5	-41	175.8	-69.4	-27.7	0	0	0	111.1	E411 T412 T413 K418 D419	E411-N415 PolarHBondContact O-N 3.2Å; E411-N415 PolarHBondContact O-ND2 3.21Å; T412-N415 PolarHBondContact O-N 3.32Å; T413-N415 VanDerWaalsContact C-N 3.33Å; T413-N415 PolarHBondContact O-N 2.98Å; N415-K418 PolarHBondContact O-N 3.19Å; N415-D419 VanDerWaalsContact O-CB 3.3Å; N415-D419 WeakPolarHBondContact O-CB 2.83Å; N415-D419 PolarHBondContact O-N 2.67Å
416	D	97.8	Very high	95.2	Very high	6 Å²	6	27 Å²	27	3%	0.032	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-43.9	176.4	-161.4	45.4	0	0	0	112.2	S401 R402 T412 T413 C414 K418 D419 I420	S401-D416 WeakPolarHBondContact CA-OD2 3.45Å; S401-D416 WeakPolarHBondContact CB-OD2 3.44Å; R402-D416 WeakPolarHBondContact CD-OD1 3.35Å; R402-D416 WeakPolarHBondContact CG-OD1 3.41Å; R402-D416 PolarHBondContact N-OD2 2.89Å; R402-D416 IonicContact NE-OD1 2.81Å; T412-D416 PolarHBondContact O-N 3.13Å; T412-D416 VanDerWaalsContact O-N 3.15Å; T413-D416 PolarHBondContact O-N 2.88Å; C414-D416 VanDerWaalsContact C-N 3.29Å; C414-D416 PolarHBondContact O-N 3.17Å; D416-K418 PolarHBondContact O-N 3.3Å; D416-D419 PolarHBondContact O-N 2.76Å; D416-I420 WeakPolarHBondContact O-CG1 3.48Å; D416-I420 PolarHBondContact O-N 3.46Å
417	I	96.8	Very high	95	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-46.5	175.5	-68.6	159.8	0	0	0	111.2	T15 I18 L19 I22 M90 T413 C414 Y421	T15-I417 HydrophobicContact CG2-CG1 3.87Å; I18-I417 HydrophobicContact CB-CD1 4.19Å; I18-I417 HydrophobicContact CD1-CD1 3.5Å; I18-I417 HydrophobicContact CG1-CD1 4.45Å; I18-I417 HydrophobicContact CG2-CD1 4.11Å; I18-I417 HydrophobicContact CG2-CG2 3.96Å; L19-I417 HydrophobicContact CD2-CG2 4.08Å; L19-I417 HydrophobicContact CG-CG2 4.26Å; I22-I417 HydrophobicContact CD1-CG2 4.39Å; M90-I417 HydrophobicContact CE-CB 4.43Å; M90-I417 HydrophobicContact CE-CG2 3.98Å; M90-I417 HydrophobicContact SD-CB 4.49Å; M90-I417 HydrophobicContact SD-CD1 4.47Å; M90-I417 HydrophobicContact SD-CG2 3.82Å; T413-I417 HydrophobicContact CG2-CD1 4.11Å; T413-I417 WeakPolarHBondContact O-CG1 3.33Å; T413-I417 PolarHBondContact O-N 2.95Å; C414-I417 PolarHBondContact O-N 3.19Å; I417-Y421 WeakPolarHBondContact O-CB 3.49Å; I417-Y421 PolarHBondContact O-N 2.92Å
418	K	95.5	Very high	94.8	Very high	59 Å²	59	35.6 Å²	35.6	26%	0.257	20%	0.199	S	C	.	.	H	α-helix	trans	-66	-40.3	179.3	-72.7	167.2	63.4	-165.7	0	112	M90 C414 N415 D416 Y421 K422 F429	M90-K418 HydrophobicContact CE-CD 3.99Å; M90-K418 HydrophobicContact CE-CG 3.54Å; C414-K418 WeakPolarHBondContact O-CG 3.36Å; C414-K418 PolarHBondContact O-N 3.49Å; N415-K418 PolarHBondContact O-N 3.19Å; D416-K418 PolarHBondContact O-N 3.3Å; K418-Y421 PolarHBondContact O-N 3.02Å; K418-K422 WeakPolarHBondContact O-CB 3.35Å; K418-K422 PolarHBondContact O-N 3.41Å; K418-F429 HydrophobicContact CG-CB 4.05Å; K418-F429 HydrophobicContact CG-CG 4.45Å
419	D	97.4	Very high	94.5	Very high	59 Å²	59	36.3 Å²	36.3	32%	0.316	20%	0.202	S	C	.	.	H	α-helix	trans	-62.6	-50	176.8	177.6	74.4	0	0	0	111.1	N415 D416 Y421 K422 R423	N415-D419 VanDerWaalsContact O-CB 3.3Å; N415-D419 WeakPolarHBondContact O-CB 2.83Å; N415-D419 PolarHBondContact O-N 2.67Å; D416-D419 PolarHBondContact O-N 2.76Å; D419-Y421 PolarHBondContact O-N 3.22Å; D419-K422 PolarHBondContact O-N 3.34Å; D419-R423 WeakPolarHBondContact O-CG 3.33Å; D419-R423 PolarHBondContact O-N 3.2Å; D419-R423 IonicContact OD2-CZ 2.85Å; D419-R423 VanDerWaalsContact OD2-CZ 3.27Å; D419-R423 IonicContact OD2-NE 3.06Å; D419-R423 PolarHBondContact OD2-NE 3Å; D419-R423 IonicContact OD2-NH2 2.84Å; D419-R423 PolarHBondContact OD2-NH2 3.28Å
420	I	98.2	Very high	93.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-48.8	175.2	-68.5	164.5	0	0	0	110.7	T15 L19 F399 D416 K422 R423 M424	T15-I420 HydrophobicContact CG2-CD1 3.9Å; L19-I420 HydrophobicContact CD1-CB 3.9Å; L19-I420 HydrophobicContact CD1-CD1 3.84Å; L19-I420 HydrophobicContact CD1-CG1 4.48Å; L19-I420 HydrophobicContact CD1-CG2 3.5Å; L19-I420 VanDerWaalsContact CD1-CG2 3.5Å; L19-I420 HydrophobicContact CD2-CB 4.42Å; L19-I420 HydrophobicContact CD2-CG2 4.11Å; L19-I420 HydrophobicContact CG-CG2 4.47Å; F399-I420 HydrophobicContact CB-CG2 4.02Å; D416-I420 WeakPolarHBondContact O-CG1 3.48Å; D416-I420 PolarHBondContact O-N 3.46Å; I420-K422 VanDerWaalsContact C-N 3.28Å; I420-K422 PolarHBondContact O-N 3.37Å; I420-R423 PolarHBondContact O-N 3.49Å; I420-M424 HydrophobicContact CG2-CG 4.13Å; I420-M424 HydrophobicContact CG2-SD 3.85Å; I420-M424 WeakPolarHBondContact O-CB 3.47Å; I420-M424 VanDerWaalsContact O-CG 3.27Å; I420-M424 WeakPolarHBondContact O-CG 3.35Å; I420-M424 PolarHBondContact O-N 2.89Å
421	Y	96.9	Very high	92.8	Very high	18 Å²	18	40.2 Å²	40.2	7%	0.071	22%	0.222	C	C	.	.	H	α-helix	trans	-56.4	-43.6	178.2	-178.1	-90.2	0	0	0	112	I22 M23 I417 K418 D419 M424 T425 F429 M434	I22-Y421 HydrophobicContact CG2-CD2 3.82Å; I22-Y421 HydrophobicContact CG2-CE2 3.54Å; M23-Y421 HydrophobicContact CE-CD2 3.72Å; M23-Y421 HydrophobicContact CE-CE2 3.99Å; I417-Y421 WeakPolarHBondContact O-CB 3.49Å; I417-Y421 PolarHBondContact O-N 2.92Å; K418-Y421 PolarHBondContact O-N 3.02Å; D419-Y421 PolarHBondContact O-N 3.22Å; Y421-M424 PolarHBondContact O-N 2.96Å; Y421-T425 HydrophobicContact CD1-CG2 4.39Å; Y421-T425 HydrophobicContact CD2-CG2 4.22Å; Y421-T425 HydrophobicContact CE1-CG2 4.06Å; Y421-T425 WeakPolarHBondContact CE1-OG1 3.38Å; Y421-T425 HydrophobicContact CE2-CG2 3.86Å; Y421-T425 HydrophobicContact CG-CG2 4.46Å; Y421-T425 WeakPolarHBondContact O-CB 3.34Å; Y421-T425 WeakPolarHBondContact O-CG2 3.28Å; Y421-T425 PolarHBondContact O-N 3.36Å; Y421-T425 PolarHBondContact O-OG1 2.8Å; Y421-F429 HydrophobicContact CD1-CB 3.99Å; Y421-F429 AromaticContact CD1-CD2 3.68Å; Y421-F429 HydrophobicContact CD1-CD2 3.68Å; Y421-F429 HydrophobicContact CD1-CG 4.33Å; Y421-F429 AromaticContact CD2-CD2 3.94Å; Y421-F429 HydrophobicContact CD2-CD2 3.94Å; Y421-F429 HydrophobicContact CD2-CE2 4.26Å; Y421-F429 HydrophobicContact CE1-CB 4.45Å; Y421-F429 AromaticContact CE1-CD2 3.97Å; Y421-F429 HydrophobicContact CE1-CD2 3.97Å; Y421-F429 HydrophobicContact CE2-CD2 4.23Å; Y421-F429 HydrophobicContact CE2-CE2 4.37Å; Y421-F429 AromaticContact CG-CD2 3.66Å; Y421-F429 HydrophobicContact CG-CD2 3.66Å; Y421-F429 HydrophobicContact CG-CE2 4.42Å; Y421-M434 HydrophobicContact CE1-CE 3.98Å; Y421-M434 HydrophobicContact CE2-CE 4.13Å; Y421-M434 VanDerWaalsContact CZ-CE 3.49Å; Y421-M434 WeakPolarHBondContact OH-CE 3.35Å
422	K	96.9	Very high	91.6	Very high	96 Å²	96	43.8 Å²	43.8	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-45.5	177.7	-177.7	178.2	-173.5	153.9	0	111.8	K418 D419 I420 M424 T425 G426 T427 D428	K418-K422 WeakPolarHBondContact O-CB 3.35Å; K418-K422 PolarHBondContact O-N 3.41Å; D419-K422 PolarHBondContact O-N 3.34Å; I420-K422 VanDerWaalsContact C-N 3.28Å; I420-K422 PolarHBondContact O-N 3.37Å; K422-M424 VanDerWaalsContact C-N 3.29Å; K422-M424 PolarHBondContact O-N 2.63Å; K422-T425 PolarHBondContact O-N 3.29Å; K422-G426 VanDerWaalsContact O-CA 3.28Å; K422-G426 WeakPolarHBondContact O-CA 3.47Å; K422-G426 PolarHBondContact O-N 2.92Å; K422-T427 WeakPolarHBondContact CA-O 3.17Å; K422-D428 VanDerWaalsContact CD-OD1 3.3Å; K422-D428 WeakPolarHBondContact CD-OD1 3.27Å; K422-D428 VanDerWaalsContact CE-OD1 3.26Å; K422-D428 WeakPolarHBondContact CE-OD1 3.47Å; K422-D428 IonicContact NZ-OD1 2.85Å; K422-D428 PolarHBondContact NZ-OD1 2.86Å; K422-D428 IonicContact NZ-OD2 2.72Å
423	R	97.6	Very high	90.1	Very high	36 Å²	36	46.4 Å²	46.4	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-38	176.9	-70.1	-175.9	-70	132.5	-15	112	D392 F399 A400 D419 I420	D392-R423 VanDerWaalsContact O-CD 3.29Å; D392-R423 WeakPolarHBondContact O-CD 3.29Å; D392-R423 PolarHBondContact O-NH1 2.97Å; F399-R423 HydrophobicContact CD1-CB 3.9Å; F399-R423 VanDerWaalsContact CE1-C 3.49Å; F399-R423 HydrophobicContact CE1-CB 3.85Å; F399-R423 WeakPolarHBondContact CE1-O 3.31Å; A400-R423 PolarHBondContact O-NH2 3.26Å; D419-R423 WeakPolarHBondContact O-CG 3.33Å; D419-R423 PolarHBondContact O-N 3.2Å; D419-R423 IonicContact OD2-CZ 2.85Å; D419-R423 VanDerWaalsContact OD2-CZ 3.27Å; D419-R423 IonicContact OD2-NE 3.06Å; D419-R423 PolarHBondContact OD2-NE 3Å; D419-R423 IonicContact OD2-NH2 2.84Å; D419-R423 PolarHBondContact OD2-NH2 3.28Å; I420-R423 PolarHBondContact O-N 3.49Å
424	M	97.2	Very high	88.4	Confident	13 Å²	13	46.6 Å²	46.6	6%	0.064	25%	0.252	C	S	.	.	H	α-helix	trans	-71	-41.2	178.7	-74.5	-173.6	75.7	0	0	114	V7 M23 Q279 I281 F399 I420 Y421 K422	V7-M424 HydrophobicContact CG1-CE 4.13Å; V7-M424 HydrophobicContact CG2-CE 4.31Å; M23-M424 HydrophobicContact CE-CB 4.36Å; M23-M424 HydrophobicContact CE-CE 3.85Å; M23-M424 HydrophobicContact CE-SD 3.73Å; M23-M424 HydrophobicContact SD-CE 4.39Å; Q279-M424 HydrophobicContact CB-CE 4.19Å; Q279-M424 PolarHBondContact NE2-O 3.18Å; I281-M424 HydrophobicContact CD1-CE 3.64Å; I281-M424 HydrophobicContact CD1-SD 3.42Å; I281-M424 WeakPolarHBondContact CD1-SD 3.49Å; I281-M424 HydrophobicContact CG1-CE 3.67Å; I281-M424 HydrophobicContact CG1-SD 3.6Å; F399-M424 HydrophobicContact CB-CG 4.08Å; F399-M424 HydrophobicContact CB-SD 4.47Å; F399-M424 HydrophobicContact CD1-CG 3.69Å; F399-M424 HydrophobicContact CD2-CE 4.31Å; F399-M424 HydrophobicContact CD2-CG 3.48Å; F399-M424 VanDerWaalsContact CD2-CG 3.48Å; F399-M424 HydrophobicContact CD2-SD 4.26Å; F399-M424 HydrophobicContact CE1-CB 4.49Å; F399-M424 HydrophobicContact CE1-CG 3.94Å; F399-M424 HydrophobicContact CE2-CB 4.46Å; F399-M424 HydrophobicContact CE2-CG 3.74Å; F399-M424 HydrophobicContact CG-CG 3.45Å; F399-M424 VanDerWaalsContact CG-CG 3.45Å; F399-M424 HydrophobicContact CG-SD 4.34Å; F399-M424 HydrophobicContact CZ-CB 4.39Å; F399-M424 HydrophobicContact CZ-CG 3.96Å; I420-M424 HydrophobicContact CG2-CG 4.13Å; I420-M424 HydrophobicContact CG2-SD 3.85Å; I420-M424 WeakPolarHBondContact O-CB 3.47Å; I420-M424 VanDerWaalsContact O-CG 3.27Å; I420-M424 WeakPolarHBondContact O-CG 3.35Å; I420-M424 PolarHBondContact O-N 2.89Å; Y421-M424 PolarHBondContact O-N 2.96Å; K422-M424 VanDerWaalsContact C-N 3.29Å; K422-M424 PolarHBondContact O-N 2.63Å
425	T	95	Very high	86.7	Confident	53 Å²	53	51.8 Å²	51.8	33%	0.325	28%	0.275	S	S	.	.	H	α-helix	trans	-104.9	-17.6	-168.4	64	0	0	0	0	113.8	M23 Y421 K422 T427	M23-T425 HydrophobicContact CE-CG2 4.25Å; Y421-T425 HydrophobicContact CD1-CG2 4.39Å; Y421-T425 HydrophobicContact CD2-CG2 4.22Å; Y421-T425 HydrophobicContact CE1-CG2 4.06Å; Y421-T425 WeakPolarHBondContact CE1-OG1 3.38Å; Y421-T425 HydrophobicContact CE2-CG2 3.86Å; Y421-T425 HydrophobicContact CG-CG2 4.46Å; Y421-T425 WeakPolarHBondContact O-CB 3.34Å; Y421-T425 WeakPolarHBondContact O-CG2 3.28Å; Y421-T425 PolarHBondContact O-N 3.36Å; Y421-T425 PolarHBondContact O-OG1 2.8Å; K422-T425 PolarHBondContact O-N 3.29Å; T425-T427 PolarHBondContact O-N 2.97Å; T425-T427 PolarHBondContact OG1-N 3.29Å; T425-T427 PolarHBondContact OG1-O 3.5Å; T425-T427 PolarHBondContact OG1-OG1 3.17Å; T425-T427 VanDerWaalsContact OG1-OG1 3.12Å
426	G	94.8	Very high	84.7	Confident	66 Å²	66	57.1 Å²	57.1	68%	0.68	29%	0.29	S	S	*	.	S	Bend	trans	75.2	5.5	-171.7	0	0	0	0	0	114.2	K422	K422-G426 VanDerWaalsContact O-CA 3.28Å; K422-G426 WeakPolarHBondContact O-CA 3.47Å; K422-G426 PolarHBondContact O-N 2.92Å
427	T	92.1	Very high	82.5	Confident	79 Å²	79	63.2 Å²	63.2	49%	0.485	32%	0.316	S	S	.	.	S	Bend	trans	-129.6	146.9	-176	55.2	0	0	0	0	112.2	K422 T425	K422-T427 WeakPolarHBondContact CA-O 3.17Å; T425-T427 PolarHBondContact O-N 2.97Å; T425-T427 PolarHBondContact OG1-N 3.29Å; T425-T427 PolarHBondContact OG1-O 3.5Å; T425-T427 PolarHBondContact OG1-OG1 3.17Å; T425-T427 VanDerWaalsContact OG1-OG1 3.12Å
428	D	90.2	Very high	80.4	Confident	110 Å²	110	64.7 Å²	64.7	59%	0.588	32%	0.323	S	S	*	.			trans	-62.7	147.3	174.3	-70.2	-48.2	0	0	0	111.3	K422 D430	K422-D428 VanDerWaalsContact CD-OD1 3.3Å; K422-D428 WeakPolarHBondContact CD-OD1 3.27Å; K422-D428 VanDerWaalsContact CE-OD1 3.26Å; K422-D428 WeakPolarHBondContact CE-OD1 3.47Å; K422-D428 IonicContact NZ-OD1 2.85Å; K422-D428 PolarHBondContact NZ-OD1 2.86Å; K422-D428 IonicContact NZ-OD2 2.72Å; D428-D430 PolarHBondContact O-N 3.04Å
429	F	83.8	Confident	78	Confident	15 Å²	15	66.5 Å²	66.5	7%	0.066	34%	0.335	C	S	.	.			trans	-70	102.6	174.3	-166.3	-82.5	0	0	0	109.9	I22 M90 Y93 K418 Y421 F431 M434	I22-F429 HydrophobicContact CD1-CE2 3.64Å; I22-F429 HydrophobicContact CD1-CZ 4.07Å; I22-F429 HydrophobicContact CG1-CE2 4.17Å; I22-F429 HydrophobicContact CG1-CZ 4.45Å; I22-F429 HydrophobicContact CG2-CE2 4.01Å; M90-F429 HydrophobicContact CG-CE1 4.15Å; M90-F429 HydrophobicContact CG-CZ 4.22Å; Y93-F429 HydrophobicContact CD1-CZ 4.26Å; K418-F429 HydrophobicContact CG-CB 4.05Å; K418-F429 HydrophobicContact CG-CG 4.45Å; Y421-F429 HydrophobicContact CD1-CB 3.99Å; Y421-F429 AromaticContact CD1-CD2 3.68Å; Y421-F429 HydrophobicContact CD1-CD2 3.68Å; Y421-F429 HydrophobicContact CD1-CG 4.33Å; Y421-F429 AromaticContact CD2-CD2 3.94Å; Y421-F429 HydrophobicContact CD2-CD2 3.94Å; Y421-F429 HydrophobicContact CD2-CE2 4.26Å; Y421-F429 HydrophobicContact CE1-CB 4.45Å; Y421-F429 AromaticContact CE1-CD2 3.97Å; Y421-F429 HydrophobicContact CE1-CD2 3.97Å; Y421-F429 HydrophobicContact CE2-CD2 4.23Å; Y421-F429 HydrophobicContact CE2-CE2 4.37Å; Y421-F429 AromaticContact CG-CD2 3.66Å; Y421-F429 HydrophobicContact CG-CD2 3.66Å; Y421-F429 HydrophobicContact CG-CE2 4.42Å; F429-F431 HydrophobicContact CD1-CD1 4.21Å; F429-F431 HydrophobicContact CD1-CD2 4.04Å; F429-F431 AromaticContact CD1-CE1 3.95Å; F429-F431 HydrophobicContact CD1-CE1 3.95Å; F429-F431 AromaticContact CD1-CE2 3.77Å; F429-F431 HydrophobicContact CD1-CE2 3.77Å; F429-F431 HydrophobicContact CD1-CG 4.26Å; F429-F431 AromaticContact CD1-CZ 3.72Å; F429-F431 HydrophobicContact CD1-CZ 3.72Å; F429-F431 AromaticContact CE1-CD1 3.62Å; F429-F431 HydrophobicContact CE1-CD1 3.62Å; F429-F431 HydrophobicContact CE1-CD2 4.28Å; F429-F431 AromaticContact CE1-CE1 3.38Å; F429-F431 HydrophobicContact CE1-CE1 3.38Å; F429-F431 HydrophobicContact CE1-CE2 4.08Å; F429-F431 HydrophobicContact CE1-CG 4.07Å; F429-F431 AromaticContact CE1-CZ 3.64Å; F429-F431 HydrophobicContact CE1-CZ 3.64Å; F429-F431 HydrophobicContact CZ-CE1 4.41Å; F429-M434 HydrophobicContact CD1-SD 4.5Å; F429-M434 HydrophobicContact CD2-CE 3.89Å; F429-M434 HydrophobicContact CD2-SD 4.4Å; F429-M434 HydrophobicContact CE1-SD 3.87Å; F429-M434 HydrophobicContact CE2-CE 3.67Å; F429-M434 HydrophobicContact CE2-SD 3.76Å; F429-M434 HydrophobicContact CG-CE 4.41Å; F429-M434 HydrophobicContact CZ-CE 4.03Å; F429-M434 HydrophobicContact CZ-SD 3.47Å; F429-M434 WeakPolarHBondContact CZ-SD 2.92Å
430	D	79.7	Confident	75.4	Confident	60 Å²	60	70.2 Å²	70.2	32%	0.321	36%	0.355	S	S	.	.			trans	-104.7	103.5	-177.3	-175.1	-9.8	0	0	0	111.9	D428 E432 N433 M434	D428-D430 PolarHBondContact O-N 3.04Å; D430-E432 VanDerWaalsContact C-N 3.27Å; D430-E432 PolarHBondContact O-N 3.03Å; D430-E432 PolarHBondContact OD1-N 2.8Å; D430-N433 HydrophobicContact CB-CB 4.19Å; D430-N433 PolarHBondContact OD1-N 3.5Å; D430-N433 WeakPolarHBondContact OD2-CB 3.22Å; D430-N433 VanDerWaalsContact OD2-CG 3.25Å; D430-N433 PolarHBondContact OD2-ND2 2.9Å; D430-M434 VanDerWaalsContact O-CB 3.25Å; D430-M434 WeakPolarHBondContact O-CB 3.32Å; D430-M434 WeakPolarHBondContact O-CG 3.38Å; D430-M434 PolarHBondContact O-N 3.13Å
431	F	72.2	Confident	72.8	Confident	37 Å²	37	75.4 Å²	75.4	16%	0.162	39%	0.387	C	S	.	.	H	α-helix	trans	-60.7	-30.1	177.6	-67.2	-83.1	0	0	0	113.9	Q86 K89 M90 F429 K435	Q86-F431 HydrophobicContact CB-CZ 4.28Å; K89-F431 HydrophobicContact CB-CD1 3.65Å; K89-F431 HydrophobicContact CB-CE1 3.43Å; K89-F431 VanDerWaalsContact CB-CE1 3.43Å; K89-F431 HydrophobicContact CB-CG 4.46Å; K89-F431 HydrophobicContact CB-CZ 4.11Å; M90-F431 HydrophobicContact CB-CE1 4.39Å; M90-F431 HydrophobicContact CE-CZ 4.03Å; M90-F431 HydrophobicContact CG-CE1 3.57Å; M90-F431 HydrophobicContact CG-CZ 3.79Å; F429-F431 HydrophobicContact CD1-CD1 4.21Å; F429-F431 HydrophobicContact CD1-CD2 4.04Å; F429-F431 AromaticContact CD1-CE1 3.95Å; F429-F431 HydrophobicContact CD1-CE1 3.95Å; F429-F431 AromaticContact CD1-CE2 3.77Å; F429-F431 HydrophobicContact CD1-CE2 3.77Å; F429-F431 HydrophobicContact CD1-CG 4.26Å; F429-F431 AromaticContact CD1-CZ 3.72Å; F429-F431 HydrophobicContact CD1-CZ 3.72Å; F429-F431 AromaticContact CE1-CD1 3.62Å; F429-F431 HydrophobicContact CE1-CD1 3.62Å; F429-F431 HydrophobicContact CE1-CD2 4.28Å; F429-F431 AromaticContact CE1-CE1 3.38Å; F429-F431 HydrophobicContact CE1-CE1 3.38Å; F429-F431 HydrophobicContact CE1-CE2 4.08Å; F429-F431 HydrophobicContact CE1-CG 4.07Å; F429-F431 AromaticContact CE1-CZ 3.64Å; F429-F431 HydrophobicContact CE1-CZ 3.64Å; F429-F431 HydrophobicContact CZ-CE1 4.41Å; F431-K435 WeakPolarHBondContact O-CG 3.45Å; F431-K435 PolarHBondContact O-N 2.92Å
432	E	65.8	Low	70.5	Confident	108 Å²	108	80 Å²	80	51%	0.505	41%	0.408	S	S	.	.	H	α-helix	trans	-83.1	-43.2	-175.2	-73.2	-61.3	131.6	0	0	111.9	D430 M434 K435 R436	D430-E432 VanDerWaalsContact C-N 3.27Å; D430-E432 PolarHBondContact O-N 3.03Å; D430-E432 PolarHBondContact OD1-N 2.8Å; E432-M434 PolarHBondContact O-N 2.99Å; E432-K435 PolarHBondContact O-N 3.34Å; E432-K435 IonicContact OE1-NZ 2.89Å; E432-K435 PolarHBondContact OE1-NZ 2.63Å; E432-R436 PolarHBondContact O-N 2.99Å
433	N	60.8	Low	67.8	Low	88 Å²	88	78 Å²	78	47%	0.471	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-30	173	-86.5	-34.2	0	0	0	112.4	D430 K437	D430-N433 HydrophobicContact CB-CB 4.19Å; D430-N433 PolarHBondContact OD1-N 3.5Å; D430-N433 WeakPolarHBondContact OD2-CB 3.22Å; D430-N433 VanDerWaalsContact OD2-CG 3.25Å; D430-N433 PolarHBondContact OD2-ND2 2.9Å; N433-K437 PolarHBondContact O-N 3.11Å
434	M	60.5	Low	65	Low	11 Å²	11	83.9 Å²	83.9	5%	0.054	44%	0.443	C	S	.	.	H	α-helix	trans	-71.8	-38.1	178.1	-83.8	-173.6	-169.9	0	0	113.4	Y93 Y421 F429 D430 E432 R436 K437 Q438	Y93-M434 HydrophobicContact CD1-SD 3.98Å; Y93-M434 HydrophobicContact CD2-CB 3.81Å; Y93-M434 HydrophobicContact CE1-CB 4.3Å; Y93-M434 HydrophobicContact CE1-CG 4.19Å; Y93-M434 HydrophobicContact CE1-SD 3.43Å; Y93-M434 WeakPolarHBondContact CE1-SD 3.35Å; Y93-M434 HydrophobicContact CE2-CB 3.42Å; Y93-M434 VanDerWaalsContact CE2-CB 3.42Å; Y93-M434 HydrophobicContact CE2-CG 4.05Å; Y93-M434 WeakPolarHBondContact CE2-O 3.44Å; Y93-M434 HydrophobicContact CE2-SD 4.31Å; Y93-M434 HydrophobicContact CG-CB 4.42Å; Y421-M434 HydrophobicContact CE1-CE 3.98Å; Y421-M434 HydrophobicContact CE2-CE 4.13Å; Y421-M434 VanDerWaalsContact CZ-CE 3.49Å; Y421-M434 WeakPolarHBondContact OH-CE 3.35Å; F429-M434 HydrophobicContact CD1-SD 4.5Å; F429-M434 HydrophobicContact CD2-CE 3.89Å; F429-M434 HydrophobicContact CD2-SD 4.4Å; F429-M434 HydrophobicContact CE1-SD 3.87Å; F429-M434 HydrophobicContact CE2-CE 3.67Å; F429-M434 HydrophobicContact CE2-SD 3.76Å; F429-M434 HydrophobicContact CG-CE 4.41Å; F429-M434 HydrophobicContact CZ-CE 4.03Å; F429-M434 HydrophobicContact CZ-SD 3.47Å; F429-M434 WeakPolarHBondContact CZ-SD 2.92Å; D430-M434 VanDerWaalsContact O-CB 3.25Å; D430-M434 WeakPolarHBondContact O-CB 3.32Å; D430-M434 WeakPolarHBondContact O-CG 3.38Å; D430-M434 PolarHBondContact O-N 3.13Å; E432-M434 PolarHBondContact O-N 2.99Å; M434-R436 VanDerWaalsContact C-N 3.33Å; M434-R436 PolarHBondContact O-N 3.5Å; M434-K437 PolarHBondContact O-N 2.81Å; M434-Q438 PolarHBondContact O-N 2.94Å
435	K	57.6	Low	62.2	Low	111 Å²	111	90.7 Å²	90.7	48%	0.483	48%	0.48	S	S	.	.	H	α-helix	trans	-59.5	-41.6	171.5	-75.5	174.1	-173.4	164.5	0	112.4	F431 E432 Q438	F431-K435 WeakPolarHBondContact O-CG 3.45Å; F431-K435 PolarHBondContact O-N 2.92Å; E432-K435 PolarHBondContact O-N 3.34Å; E432-K435 IonicContact OE1-NZ 2.89Å; E432-K435 PolarHBondContact OE1-NZ 2.63Å; K435-Q438 PolarHBondContact O-N 3.45Å
436	R	51.6	Low	59.5	Low	175 Å²	175	97.5 Å²	97.5	66%	0.66	51%	0.508	S	S	*	.	H	α-helix	trans	-63.5	-43	-179.5	-71.2	-178.7	178.4	176.8	-0.6	112.5	E432 M434 Q438 N439 D440	E432-R436 PolarHBondContact O-N 2.99Å; M434-R436 VanDerWaalsContact C-N 3.33Å; M434-R436 PolarHBondContact O-N 3.5Å; R436-Q438 VanDerWaalsContact C-N 3.28Å; R436-Q438 PolarHBondContact O-N 3.36Å; R436-N439 PolarHBondContact O-N 2.57Å; R436-D440 PolarHBondContact O-N 3.43Å
437	K	52.9	Low	56.5	Low	133 Å²	133	107 Å²	107	58%	0.578	54%	0.535	S	S	*	.	H	α-helix	trans	-65	-29.4	178.6	-75	-175.8	178.1	179.7	0	113.5	N433 M434 D440 V441	N433-K437 PolarHBondContact O-N 3.11Å; M434-K437 PolarHBondContact O-N 2.81Å; K437-D440 PolarHBondContact O-N 2.93Å; K437-V441 VanDerWaalsContact O-CG2 3.27Å; K437-V441 WeakPolarHBondContact O-CG2 3.39Å; K437-V441 PolarHBondContact O-N 2.73Å; K437-V441 VanDerWaalsContact O-N 3.16Å
438	Q	51.1	Low	54.7	Low	32 Å²	32	108.5 Å²	108.5	15%	0.15	54%	0.537	C	S	.	.	H	α-helix	trans	-68.7	-41	179.5	-162.9	170.1	23.5	0	0	111.8	Y93 E95 M434 K435 R436 D440 V441 F442	Y93-Q438 PolarHBondContact O-NE2 3Å; E95-Q438 VanDerWaalsContact CD-NE2 3.32Å; M434-Q438 PolarHBondContact O-N 2.94Å; K435-Q438 PolarHBondContact O-N 3.45Å; R436-Q438 VanDerWaalsContact C-N 3.28Å; R436-Q438 PolarHBondContact O-N 3.36Å; Q438-D440 VanDerWaalsContact C-N 3.27Å; Q438-D440 PolarHBondContact O-N 3.04Å; Q438-V441 PolarHBondContact O-N 3.16Å; Q438-F442 HydrophobicContact CG-CD2 4.16Å; Q438-F442 HydrophobicContact CG-CE2 4.45Å; Q438-F442 PolarHBondContact O-N 2.87Å
439	N	45.3	Very low	52.8	Low	96 Å²	96	108.4 Å²	108.4	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-63.1	-34.7	175	-67.2	7.5	0	0	0	111.8	R436 G443	R436-N439 PolarHBondContact O-N 2.57Å; N439-G443 PolarHBondContact O-N 3.06Å
440	D	42.4	Very low	51.1	Low	137 Å²	137	113.6 Å²	113.6	73%	0.733	56%	0.56	S	S	*	*	H	α-helix	trans	-74.9	-28.4	179.3	-69.7	-22.4	0	0	0	113.6	R436 K437 Q438	R436-D440 PolarHBondContact O-N 3.43Å; K437-D440 PolarHBondContact O-N 2.93Å; Q438-D440 VanDerWaalsContact C-N 3.27Å; Q438-D440 PolarHBondContact O-N 3.04Å
441	V	45.1	Very low	49.4	Very low	109 Å²	109	116.7 Å²	116.7	66%	0.661	57%	0.574	S	S	*	*	H	α-helix	trans	-85	-30.4	-177.6	172.7	0	0	0	0	112.3	K437 Q438	K437-V441 VanDerWaalsContact O-CG2 3.27Å; K437-V441 WeakPolarHBondContact O-CG2 3.39Å; K437-V441 PolarHBondContact O-N 2.73Å; K437-V441 VanDerWaalsContact O-N 3.16Å; Q438-V441 PolarHBondContact O-N 3.16Å
442	F	47	Very low	48	Very low	116 Å²	116	121.7 Å²	121.7	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-102.1	-3.5	-176.5	-72.9	-73.7	0	0	0	115.3	Y245 Q438	Y245-F442 HydrophobicContact CE1-CZ 4.16Å; Y245-F442 WeakPolarHBondContact OH-CE2 3.41Å; Y245-F442 VanDerWaalsContact OH-CZ 3.32Å; Y245-F442 WeakPolarHBondContact OH-CZ 3.5Å; Q438-F442 HydrophobicContact CG-CD2 4.16Å; Q438-F442 HydrophobicContact CG-CE2 4.45Å; Q438-F442 PolarHBondContact O-N 2.87Å
443	G	41.2	Very low	46.8	Very low	53 Å²	53	122.6 Å²	122.6	55%	0.546	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	47.8	71.7	174.2	0	0	0	0	0	111.8	N439 D445	N439-G443 PolarHBondContact O-N 3.06Å; G443-D445 VanDerWaalsContact C-N 3.28Å; G443-D445 PolarHBondContact O-N 3.48Å
444	E	38.1	Very low	45.8	Very low	159 Å²	159	125.1 Å²	125.1	74%	0.743	62%	0.616	S	S	*	*			trans	-65.1	98.6	162.5	-73.2	-171	161.1	0	0	107.2	E446	E444-E446 PolarHBondContact O-N 3.18Å; E444-E446 VanDerWaalsContact O-N 3.08Å
445	D	39.7	Very low	44.7	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	66%	0.66	S	S	*	*			trans	-56.7	110.9	161.3	-84.3	-33.2	0	0	0	106.9	G443 Q447	G443-D445 VanDerWaalsContact C-N 3.28Å; G443-D445 PolarHBondContact O-N 3.48Å; D445-Q447 PolarHBondContact O-N 3.15Å; D445-Q447 VanDerWaalsContact O-N 3.1Å
446	E	37.6	Very low	43.6	Very low	195 Å²	195	135.8 Å²	135.8	91%	0.911	67%	0.674	S	S	*	*			trans	-53.1	114.7	170.8	-70.9	-178	153.2	0	0	109.7	E444	E444-E446 PolarHBondContact O-N 3.18Å; E444-E446 VanDerWaalsContact O-N 3.08Å
447	Q	31.6	Very low	42.9	Very low	267 Å²	267	132.2 Å²	132.2	100%	1.248	68%	0.676	S	S	*	*			trans	-133	0	156.3	-95.3	-177.1	30.6	0	0	111.3	D445	D445-Q447 PolarHBondContact O-N 3.15Å; D445-Q447 VanDerWaalsContact O-N 3.1Å

Retrieved 447 of 447 residues in 442.4 ms (Link to these results)

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