A0A060XGL3_ONCMY Loading...

Rab GDP dissociation inhibitor

GDP-dissociation inhibitor preventing the GDP to GTP exchange of most Rab proteins. By keeping these small GTPases in their inactive GDP-bound form regulates intracellular membrane trafficking. Negatively regulates protein transport to the cilium and ciliogenesis through the inhibition of RAB8A. Regulates the GDP/GTP exchange reaction of most RAB proteins by inhibiting the dissociation of GDP from them, and the subsequent binding of GTP.

AlphaFold DB (A0A1S3SGW5), UniProt , Accession A0A060XGL3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 448 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	48.5	Very low	87.7	Confident	84 Å²	84	45.5 Å²	45.5	41%	0.414	23%	0.227	S	C	.	.				0	94.7	0	-81.1	175.1	-93	0	0	109.8	E3 M250 E273	M1-E3 PolarHBondContact O-N 2.93Å; M1-E3 VanDerWaalsContact O-N 3.15Å; M1-M250 HydrophobicContact CE-CE 3.8Å; M1-M250 HydrophobicContact CE-SD 4.35Å; M1-M250 HydrophobicContact SD-CE 3.74Å; M1-E273 PolarHBondContact N-OE1 3.35Å; M1-E273 PolarHBondContact N-OE2 3.35Å
2	N	54.5	Low	88.4	Confident	169 Å²	169	41.8 Å²	41.8	90%	0.904	21%	0.208	S	C	*	.			trans	-83.8	47	167.9	-73	-16.4	0	0	0	110.3
3	E	82.9	Confident	88.9	Confident	87 Å²	87	38.6 Å²	38.6	41%	0.407	19%	0.193	S	C	.	.			trans	-94.4	138.1	-179.8	-70.7	-161.3	-164.9	0	0	110.7	M1 Y5 K29 R276	M1-E3 PolarHBondContact O-N 2.93Å; M1-E3 VanDerWaalsContact O-N 3.15Å; E3-Y5 HydrophobicContact CB-CD2 4.49Å; E3-Y5 HydrophobicContact CB-CE2 3.68Å; E3-Y5 PolarHBondContact OE2-OH 2.85Å; E3-K29 IonicContact OE2-NZ 2.69Å; E3-K29 PolarHBondContact OE2-NZ 2.97Å; E3-R276 PolarHBondContact O-N 3.13Å
4	E	93.5	Very high	89.2	Confident	120 Å²	120	36.2 Å²	36.2	56%	0.561	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.3	171.7	-167.4	-177.8	158.2	0	0	109.4	K29 R276	E4-K29 WeakPolarHBondContact O-CD 3.48Å; E4-K29 PolarHBondContact O-NZ 3.43Å; E4-R276 HydrophobicContact CG-CB 4.31Å
5	Y	97.1	Very high	89.7	Confident	5 Å²	5	33.9 Å²	33.9	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152	177.2	-62.9	-90.8	0	0	0	109.6	E3 K29 L31 A275 R276 C277	E3-Y5 HydrophobicContact CB-CD2 4.49Å; E3-Y5 HydrophobicContact CB-CE2 3.68Å; E3-Y5 PolarHBondContact OE2-OH 2.85Å; Y5-K29 HydrophobicContact CD1-CD 4.01Å; Y5-K29 HydrophobicContact CD1-CG 3.86Å; Y5-K29 HydrophobicContact CE1-CD 4.34Å; Y5-K29 HydrophobicContact CE1-CG 4.36Å; Y5-L31 HydrophobicContact CD1-CB 3.49Å; Y5-L31 VanDerWaalsContact CD1-CB 3.49Å; Y5-L31 HydrophobicContact CD2-CB 3.95Å; Y5-L31 HydrophobicContact CD2-CD2 4.02Å; Y5-L31 HydrophobicContact CE1-CB 3.56Å; Y5-L31 HydrophobicContact CE1-CG 4.46Å; Y5-L31 HydrophobicContact CE2-CB 4Å; Y5-L31 HydrophobicContact CE2-CD2 3.67Å; Y5-L31 HydrophobicContact CE2-CG 4.37Å; Y5-L31 HydrophobicContact CG-CB 3.69Å; Y5-A275 HydrophobicContact CD2-CB 4.34Å; Y5-A275 HydrophobicContact CE2-CB 4.17Å; Y5-R276 PolarHBondContact N-O 2.99Å; Y5-C277 VanDerWaalsContact O-CA 3.29Å; Y5-C277 WeakPolarHBondContact O-CA 3.11Å
6	D	97.5	Very high	90.2	Very high	34 Å²	34	31.8 Å²	31.8	18%	0.182	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-42.4	171.5	-69.7	-54.3	0	0	0	110.3	K28 K29 K278 Q279	D6-K28 HydrophobicContact CB-CB 4.07Å; D6-K28 HydrophobicContact CB-CD 4.01Å; D6-K29 PolarHBondContact N-O 2.97Å; D6-K29 PolarHBondContact OD2-N 2.81Å; D6-K278 WeakPolarHBondContact O-CB 3.47Å; D6-K278 PolarHBondContact O-N 2.71Å; D6-K278 IonicContact OD1-NZ 2.81Å; D6-K278 PolarHBondContact OD1-NZ 3.44Å; D6-Q279 PolarHBondContact O-N 3.31Å
7	V	98.1	Very high	90.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.3	-177.6	-173.4	0	0	0	0	109.5	V9 M23 K29 V30 L31 Q279 I281 M424	V7-V9 HydrophobicContact CG1-CG2 4.03Å; V7-M23 HydrophobicContact CG2-CG 4.5Å; V7-K29 PolarHBondContact N-O 3.46Å; V7-V30 HydrophobicContact CB-CG2 4.46Å; V7-V30 WeakPolarHBondContact O-CA 3.33Å; V7-L31 PolarHBondContact O-N 3.49Å; V7-Q279 WeakPolarHBondContact CA-O 3.45Å; V7-I281 HydrophobicContact CG1-CD1 4.02Å; V7-I281 HydrophobicContact CG1-CG1 3.99Å; V7-M424 HydrophobicContact CG1-CE 4.1Å; V7-M424 HydrophobicContact CG2-CE 4.3Å
8	I	98.6	Very high	90.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.7	161.8	-71.1	171.9	0	0	0	108.5	L10 L31 M33 V268 A275 C277 Q279 L280 I281	I8-L10 HydrophobicContact CG2-CD2 3.81Å; I8-L10 HydrophobicContact CG2-CG 4.32Å; I8-L31 CarbonylContact C-O 3.51Å; I8-L31 VanDerWaalsContact CA-O 3.26Å; I8-L31 WeakPolarHBondContact CA-O 3.47Å; I8-L31 HydrophobicContact CD1-CD2 4.25Å; I8-L31 HydrophobicContact CG1-CB 4.1Å; I8-L31 HydrophobicContact CG1-CD2 4.19Å; I8-L31 HydrophobicContact CG1-CG 4.47Å; I8-M33 HydrophobicContact CG2-CE 3.72Å; I8-V268 HydrophobicContact CB-CG2 4.48Å; I8-V268 HydrophobicContact CD1-CB 4.22Å; I8-V268 HydrophobicContact CD1-CG2 4.08Å; I8-V268 HydrophobicContact CG2-CB 4.49Å; I8-V268 HydrophobicContact CG2-CG2 3.85Å; I8-A275 HydrophobicContact CD1-CB 3.89Å; I8-A275 WeakPolarHBondContact CD1-O 3.46Å; I8-C277 HydrophobicContact CB-CB 4.12Å; I8-C277 HydrophobicContact CD1-CB 3.62Å; I8-C277 HydrophobicContact CG1-CB 3.62Å; I8-Q279 PolarHBondContact N-O 2.88Å; I8-L280 HydrophobicContact CB-CD1 3.88Å; I8-L280 HydrophobicContact CG2-CD1 3.65Å; I8-L280 CarbonylContact O-C 3.53Å; I8-L280 WeakPolarHBondContact O-CA 3.24Å; I8-I281 PolarHBondContact O-N 2.65Å
9	V	98.5	Very high	90.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.4	176.8	-174.4	0	0	0	0	108.8	V7 E16 V30 L31 H32 M33 I281	V7-V9 HydrophobicContact CG1-CG2 4.03Å; V9-E16 HydrophobicContact CG1-CB 3.67Å; V9-E16 HydrophobicContact CG1-CG 4.08Å; V9-V30 HydrophobicContact CG2-CG1 3.88Å; V9-L31 PolarHBondContact N-O 2.69Å; V9-H32 HydrophobicContact CB-CB 4.32Å; V9-H32 VanDerWaalsContact CG1-CE1 3.44Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.45Å; V9-H32 CarbonylContact O-C 3.57Å; V9-H32 WeakPolarHBondContact O-CA 3.26Å; V9-M33 PolarHBondContact O-N 2.97Å; V9-I281 CarbonylContact C-O 3.44Å; V9-I281 WeakPolarHBondContact CA-O 3.11Å; V9-I281 HydrophobicContact CG1-CB 4.21Å; V9-I281 HydrophobicContact CG1-CG2 4.44Å; V9-I281 HydrophobicContact CG2-CB 4.21Å; V9-I281 HydrophobicContact CG2-CD1 4.1Å; V9-I281 HydrophobicContact CG2-CG1 4.4Å
10	L	98.3	Very high	91	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.5	179.6	-54.3	-179.3	0	0	0	111	I8 M33 I255 I258 V268 L280 I281 C282 D283 Y286	I8-L10 HydrophobicContact CG2-CD2 3.81Å; I8-L10 HydrophobicContact CG2-CG 4.32Å; L10-M33 WeakPolarHBondContact CA-O 3.49Å; L10-M33 HydrophobicContact CD2-CB 4.14Å; L10-M33 HydrophobicContact CD2-CE 3.7Å; L10-I255 HydrophobicContact CD1-CG2 4.33Å; L10-I255 HydrophobicContact CD2-CD1 3.88Å; L10-I255 HydrophobicContact CD2-CG1 4.13Å; L10-I258 HydrophobicContact CD1-CD1 4.13Å; L10-I258 HydrophobicContact CD1-CG1 4.25Å; L10-V268 HydrophobicContact CD1-CG2 4.34Å; L10-V268 HydrophobicContact CD2-CG1 4.3Å; L10-V268 HydrophobicContact CD2-CG2 4.48Å; L10-L280 HydrophobicContact CD1-CD1 3.89Å; L10-L280 HydrophobicContact CD1-CD2 4.3Å; L10-L280 HydrophobicContact CG-CD1 3.79Å; L10-I281 PolarHBondContact N-O 3.01Å; L10-C282 HydrophobicContact CB-CB 3.87Å; L10-C282 HydrophobicContact CD1-CB 4.45Å; L10-C282 HydrophobicContact CG-CB 4.48Å; L10-C282 WeakPolarHBondContact O-CA 3.45Å; L10-D283 PolarHBondContact O-N 3.08Å; L10-Y286 HydrophobicContact CB-CD1 3.73Å; L10-Y286 HydrophobicContact CB-CD2 3.9Å; L10-Y286 HydrophobicContact CB-CE1 3.82Å; L10-Y286 HydrophobicContact CB-CE2 4Å; L10-Y286 HydrophobicContact CB-CG 3.75Å; L10-Y286 HydrophobicContact CD1-CD1 3.81Å; L10-Y286 HydrophobicContact CD1-CE1 4.45Å; L10-Y286 HydrophobicContact CD1-CG 4.13Å; L10-Y286 HydrophobicContact CG-CD1 4.33Å
11	G	97.1	Very high	90.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.			trans	93.4	135.9	-177	0	0	0	0	0	111.6	E16 H32 M33 Y286	G11-E16 WeakPolarHBondContact O-CB 3.42Å; G11-E16 WeakPolarHBondContact O-CG 3.43Å; G11-H32 PolarHBondContact O-NE2 3.4Å; G11-M33 PolarHBondContact N-O 3.23Å; G11-Y286 PolarHBondContact N-OH 2.8Å
12	T	96.4	Very high	92.9	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.102	C	C	.	.			trans	-101.8	32.1	-176.9	57.3	0	0	0	0	112.6	D34 Y39 G40 Y249 L251	T12-D34 WeakPolarHBondContact CB-OD2 3.12Å; T12-D34 HydrophobicContact CG2-CB 3.82Å; T12-D34 PolarHBondContact N-OD2 3.31Å; T12-D34 PolarHBondContact OG1-OD2 2.89Å; T12-Y39 HydrophobicContact CG2-CD1 3.75Å; T12-Y39 HydrophobicContact CG2-CE1 4.1Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.25Å; T12-G40 WeakPolarHBondContact O-CA 3.36Å; T12-G40 PolarHBondContact O-N 3.49Å; T12-G40 VanDerWaalsContact O-N 3.12Å; T12-G40 PolarHBondContact OG1-N 3.35Å; T12-Y249 HydrophobicContact CG2-CD1 4.43Å; T12-Y249 HydrophobicContact CG2-CE1 4.26Å; T12-L251 HydrophobicContact CG2-CD2 4.1Å
13	G	95.3	Very high	94.7	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.01	6%	0.06	C	C	.	.			trans	-57.9	158.8	166.4	0	0	0	0	0	111.1	T15 E16 C17	G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.34Å; G13-E16 WeakPolarHBondContact CA-OE2 3.2Å; G13-E16 PolarHBondContact O-N 3.28Å; G13-C17 WeakPolarHBondContact O-CB 3.32Å; G13-C17 PolarHBondContact O-N 2.94Å
14	L	93.3	Very high	95	Very high	5 Å²	5	8.5 Å²	8.5	3%	0.026	4%	0.041	C	C	.	.	H	α-helix	trans	-57.1	-42.9	179.1	-176.9	62.3	0	0	0	112.7	C17 I18 L87 L234 Y404 F410	L14-C17 PolarHBondContact O-N 3.3Å; L14-I18 HydrophobicContact CD1-CD1 3.79Å; L14-I18 HydrophobicContact CD1-CG1 4.08Å; L14-I18 HydrophobicContact CD2-CD1 4.27Å; L14-I18 HydrophobicContact CG-CD1 3.66Å; L14-I18 HydrophobicContact CG-CG1 4.36Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 2.89Å; L14-L87 HydrophobicContact CD2-CD2 4.33Å; L14-L234 HydrophobicContact CD1-CB 3.56Å; L14-L234 HydrophobicContact CD1-CD1 3.93Å; L14-L234 HydrophobicContact CD1-CG 4.27Å; L14-L234 HydrophobicContact CD2-CD1 4.02Å; L14-Y404 PolarHBondContact N-OH 2.74Å; L14-F410 HydrophobicContact CD2-CD1 3.77Å; L14-F410 HydrophobicContact CD2-CE1 3.17Å; L14-F410 HydrophobicContact CD2-CE2 4.33Å; L14-F410 HydrophobicContact CD2-CZ 3.47Å; L14-F410 VanDerWaalsContact CD2-CZ 3.47Å
15	T	96.1	Very high	94.6	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.006	3%	0.025	C	C	.	.	H	α-helix	trans	-55.7	-52.8	177.2	-61.6	0	0	0	0	111.3	G13 C17 I18 L19 Y404 I417 I420	G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.34Å; T15-C17 PolarHBondContact O-N 3.44Å; T15-I18 PolarHBondContact O-N 3.11Å; T15-L19 HydrophobicContact CG2-CD1 4Å; T15-L19 WeakPolarHBondContact O-CG 3.42Å; T15-L19 PolarHBondContact O-N 2.84Å; T15-Y404 PolarHBondContact N-OH 3.4Å; T15-Y404 VanDerWaalsContact N-OH 3.12Å; T15-I417 HydrophobicContact CG2-CG1 3.86Å; T15-I420 HydrophobicContact CG2-CD1 3.72Å
16	E	97.1	Very high	94.1	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-62.6	-43.4	179.6	-72	65.2	-133.5	0	0	111.5	V9 G11 G13 L19 S20 I281 S401	V9-E16 HydrophobicContact CG1-CB 3.67Å; V9-E16 HydrophobicContact CG1-CG 4.08Å; G11-E16 WeakPolarHBondContact O-CB 3.42Å; G11-E16 WeakPolarHBondContact O-CG 3.43Å; G13-E16 WeakPolarHBondContact CA-OE2 3.2Å; G13-E16 PolarHBondContact O-N 3.28Å; E16-L19 PolarHBondContact O-N 3.3Å; E16-S20 WeakPolarHBondContact O-CB 3.33Å; E16-S20 PolarHBondContact O-N 3.31Å; E16-I281 HydrophobicContact CG-CG2 4.36Å; E16-S401 WeakPolarHBondContact OE1-CB 3.13Å; E16-S401 PolarHBondContact OE1-OG 3.12Å
17	C	94.8	Very high	93.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-41.9	178.1	-85.9	0	0	0	0	113	G13 L14 T15 S20 G21 F238	G13-C17 WeakPolarHBondContact O-CB 3.32Å; G13-C17 PolarHBondContact O-N 2.94Å; L14-C17 PolarHBondContact O-N 3.3Å; T15-C17 PolarHBondContact O-N 3.44Å; C17-S20 PolarHBondContact O-N 3.29Å; C17-G21 PolarHBondContact O-N 3.45Å; C17-F238 HydrophobicContact CB-CB 3.72Å; C17-F238 HydrophobicContact CB-CD2 4.26Å; C17-F238 HydrophobicContact CB-CG 4.14Å; C17-F238 WeakPolarHBondContact O-CD1 3.35Å
18	I	93.3	Very high	93.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-48.4	176.9	-71	164	0	0	0	110.3	L14 T15 S20 G21 I22 L87 M90 F238 I417	L14-I18 HydrophobicContact CD1-CD1 3.79Å; L14-I18 HydrophobicContact CD1-CG1 4.08Å; L14-I18 HydrophobicContact CD2-CD1 4.27Å; L14-I18 HydrophobicContact CG-CD1 3.66Å; L14-I18 HydrophobicContact CG-CG1 4.36Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 2.89Å; T15-I18 PolarHBondContact O-N 3.11Å; I18-S20 PolarHBondContact O-N 2.89Å; I18-G21 PolarHBondContact O-N 3.42Å; I18-I22 HydrophobicContact CG2-CD1 3.53Å; I18-I22 HydrophobicContact CG2-CG1 4.39Å; I18-I22 WeakPolarHBondContact O-CD1 3.35Å; I18-I22 WeakPolarHBondContact O-CG1 3.37Å; I18-I22 PolarHBondContact O-N 3.04Å; I18-L87 HydrophobicContact CD1-CD1 3.43Å; I18-L87 VanDerWaalsContact CD1-CD1 3.43Å; I18-M90 HydrophobicContact CG2-SD 4.14Å; I18-F238 HydrophobicContact CB-CE2 4.4Å; I18-F238 HydrophobicContact CB-CZ 4.15Å; I18-F238 HydrophobicContact CD1-CE2 4.37Å; I18-F238 HydrophobicContact CG1-CD2 4.1Å; I18-F238 HydrophobicContact CG1-CE1 4.23Å; I18-F238 HydrophobicContact CG1-CE2 3.37Å; I18-F238 HydrophobicContact CG1-CZ 3.45Å; I18-F238 VanDerWaalsContact CG1-CZ 3.45Å; I18-F238 HydrophobicContact CG2-CZ 4.47Å; I18-I417 HydrophobicContact CB-CD1 4.14Å; I18-I417 HydrophobicContact CD1-CD1 3.48Å; I18-I417 VanDerWaalsContact CD1-CD1 3.48Å; I18-I417 HydrophobicContact CG1-CD1 4.41Å; I18-I417 HydrophobicContact CG2-CD1 4.07Å; I18-I417 HydrophobicContact CG2-CG2 3.93Å
19	L	94.5	Very high	93.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-43.5	178.2	-73.1	164.6	0	0	0	111.7	T15 E16 G21 I22 M23 I281 I417 I420	T15-L19 HydrophobicContact CG2-CD1 4Å; T15-L19 WeakPolarHBondContact O-CG 3.42Å; T15-L19 PolarHBondContact O-N 2.84Å; E16-L19 PolarHBondContact O-N 3.3Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 2.97Å; L19-I22 PolarHBondContact O-N 3.38Å; L19-M23 VanDerWaalsContact O-CG 3.27Å; L19-M23 WeakPolarHBondContact O-CG 3.29Å; L19-M23 PolarHBondContact O-N 2.93Å; L19-I281 HydrophobicContact CB-CD1 3.81Å; L19-I281 HydrophobicContact CD1-CD1 4.32Å; L19-I281 HydrophobicContact CD1-CG2 4.03Å; L19-I417 HydrophobicContact CD2-CG2 4.08Å; L19-I417 HydrophobicContact CG-CG2 4.3Å; L19-I420 HydrophobicContact CD1-CB 3.88Å; L19-I420 HydrophobicContact CD1-CD1 3.74Å; L19-I420 HydrophobicContact CD1-CG1 4.42Å; L19-I420 HydrophobicContact CD1-CG2 3.44Å; L19-I420 VanDerWaalsContact CD1-CG2 3.44Å; L19-I420 HydrophobicContact CD2-CB 4.35Å; L19-I420 HydrophobicContact CD2-CG2 4.06Å; L19-I420 HydrophobicContact CG-CG2 4.41Å
20	S	93.9	Very high	93.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55.5	-48.5	173.4	-174.2	0	0	0	0	111.2	E16 C17 I18 M23 S24 V30 H32 Y249	E16-S20 WeakPolarHBondContact O-CB 3.33Å; E16-S20 PolarHBondContact O-N 3.31Å; C17-S20 PolarHBondContact O-N 3.29Å; I18-S20 PolarHBondContact O-N 2.89Å; S20-M23 PolarHBondContact O-N 2.79Å; S20-S24 WeakPolarHBondContact O-CB 3.39Å; S20-S24 PolarHBondContact O-N 3.48Å; S20-S24 PolarHBondContact O-OG 2.82Å; S20-S24 VanDerWaalsContact O-OG 3.05Å; S20-V30 WeakPolarHBondContact OG-CG1 3.38Å; S20-H32 WeakPolarHBondContact CB-ND1 3.48Å; S20-H32 PolarHBondContact OG-ND1 2.98Å; S20-Y249 PolarHBondContact OG-OH 2.74Å
21	G	90.6	Very high	93.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-45.9	177.2	0	0	0	0	0	113.1	C17 I18 L19 M23 S24 V25	C17-G21 PolarHBondContact O-N 3.45Å; I18-G21 PolarHBondContact O-N 3.42Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 2.97Å; G21-M23 PolarHBondContact O-N 3.3Å; G21-S24 PolarHBondContact O-N 3.31Å; G21-V25 VanDerWaalsContact O-CG2 3.32Å; G21-V25 WeakPolarHBondContact O-CG2 3.27Å; G21-V25 PolarHBondContact O-N 2.97Å
22	I	89.8	Confident	93.2	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-60.6	-46.1	177.5	-68.8	155.2	0	0	0	110.8	I18 L19 S24 V25 K26 T94 I417 Y421 F429 M434	I18-I22 HydrophobicContact CG2-CD1 3.53Å; I18-I22 HydrophobicContact CG2-CG1 4.39Å; I18-I22 WeakPolarHBondContact O-CD1 3.35Å; I18-I22 WeakPolarHBondContact O-CG1 3.37Å; I18-I22 PolarHBondContact O-N 3.04Å; L19-I22 PolarHBondContact O-N 3.38Å; I22-S24 PolarHBondContact O-N 3.36Å; I22-V25 PolarHBondContact O-N 2.87Å; I22-K26 HydrophobicContact CG2-CD 4.32Å; I22-K26 WeakPolarHBondContact O-CG 3.02Å; I22-K26 PolarHBondContact O-N 2.93Å; I22-T94 HydrophobicContact CG1-CG2 4.21Å; I22-I417 HydrophobicContact CD1-CG2 4.4Å; I22-Y421 HydrophobicContact CG2-CD2 3.99Å; I22-Y421 HydrophobicContact CG2-CE2 3.76Å; I22-F429 HydrophobicContact CD1-CE2 3.72Å; I22-F429 HydrophobicContact CD1-CZ 4.28Å; I22-F429 HydrophobicContact CG1-CE2 4.42Å; I22-M434 HydrophobicContact CG2-CE 4.19Å; I22-M434 HydrophobicContact CG2-SD 4.48Å
23	M	91.7	Very high	93.3	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.02	10%	0.102	C	C	.	.	H	α-helix	trans	-64.1	-41.3	179.9	-66.9	-56.1	161.9	0	0	111.5	V7 L19 S20 G21 K26 G27 K28 V30 Y421 M424 T425	V7-M23 HydrophobicContact CG2-CG 4.5Å; L19-M23 VanDerWaalsContact O-CG 3.27Å; L19-M23 WeakPolarHBondContact O-CG 3.29Å; L19-M23 PolarHBondContact O-N 2.93Å; S20-M23 PolarHBondContact O-N 2.79Å; G21-M23 PolarHBondContact O-N 3.3Å; M23-K26 CarbonylContact O-C 3.6Å; M23-K26 PolarHBondContact O-N 3.1Å; M23-G27 PolarHBondContact O-N 2.74Å; M23-K28 HydrophobicContact CB-CB 4.19Å; M23-K28 HydrophobicContact CB-CG 4.32Å; M23-K28 VanDerWaalsContact O-CB 3.26Å; M23-K28 WeakPolarHBondContact O-CB 3.46Å; M23-K28 WeakPolarHBondContact O-CG 3.46Å; M23-K28 PolarHBondContact O-N 3.04Å; M23-V30 HydrophobicContact CB-CG2 3.91Å; M23-Y421 HydrophobicContact CE-CD2 3.81Å; M23-Y421 HydrophobicContact CE-CE2 4.23Å; M23-M424 HydrophobicContact CE-CB 4.38Å; M23-M424 HydrophobicContact CE-CE 3.97Å; M23-M424 HydrophobicContact CE-SD 3.81Å; M23-T425 HydrophobicContact CE-CG2 4.12Å
24	S	89.8	Confident	93.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-45.1	174.4	-64.4	0	0	0	0	112.3	S20 G21 I22 K26 G27 V30 S242	S20-S24 WeakPolarHBondContact O-CB 3.39Å; S20-S24 PolarHBondContact O-N 3.48Å; S20-S24 PolarHBondContact O-OG 2.82Å; S20-S24 VanDerWaalsContact O-OG 3.05Å; G21-S24 PolarHBondContact O-N 3.31Å; I22-S24 PolarHBondContact O-N 3.36Å; S24-K26 PolarHBondContact O-N 2.88Å; S24-G27 WeakPolarHBondContact O-CA 3.4Å; S24-G27 PolarHBondContact O-N 3.19Å; S24-V30 WeakPolarHBondContact OG-CG2 3.46Å; S24-S242 PolarHBondContact OG-OG 3.17Å
25	V	85.4	Confident	93.5	Very high	37 Å²	37	22.8 Å²	22.8	22%	0.224	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-31.6	175.5	170.6	0	0	0	0	111.8	G21 I22 G27 L241 Y245	G21-V25 VanDerWaalsContact O-CG2 3.32Å; G21-V25 WeakPolarHBondContact O-CG2 3.27Å; G21-V25 PolarHBondContact O-N 2.97Å; I22-V25 PolarHBondContact O-N 2.87Å; V25-G27 PolarHBondContact O-N 2.87Å; V25-L241 HydrophobicContact CG2-CD2 4.42Å; V25-Y245 HydrophobicContact CG2-CD2 4.29Å; V25-Y245 HydrophobicContact CG2-CE2 3.81Å
26	K	86.4	Confident	93.4	Very high	80 Å²	80	24.8 Å²	24.8	35%	0.348	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	10.6	173.2	-67.7	-172.2	74.2	171.6	0	113.8	I22 M23 S24 Y421	I22-K26 HydrophobicContact CG2-CD 4.32Å; I22-K26 WeakPolarHBondContact O-CG 3.02Å; I22-K26 PolarHBondContact O-N 2.93Å; M23-K26 CarbonylContact O-C 3.6Å; M23-K26 PolarHBondContact O-N 3.1Å; S24-K26 PolarHBondContact O-N 2.88Å; K26-Y421 HydrophobicContact CD-CE2 4.12Å; K26-Y421 PolarHBondContact NZ-OH 3.02Å
27	G	88.9	Confident	93.2	Very high	66 Å²	66	28.9 Å²	28.9	68%	0.68	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	18.8	175	0	0	0	0	0	114.6	M23 S24 V25	M23-G27 PolarHBondContact O-N 2.74Å; S24-G27 WeakPolarHBondContact O-CA 3.4Å; S24-G27 PolarHBondContact O-N 3.19Å; V25-G27 PolarHBondContact O-N 2.87Å
28	K	93.3	Very high	93.1	Very high	92 Å²	92	32.6 Å²	32.6	40%	0.4	17%	0.173	S	C	.	.			trans	-80.8	141.6	174	-59.9	-61	-174.4	176.3	0	110.4	D6 M23 V30	D6-K28 HydrophobicContact CB-CB 4.07Å; D6-K28 HydrophobicContact CB-CD 4.01Å; M23-K28 HydrophobicContact CB-CB 4.19Å; M23-K28 HydrophobicContact CB-CG 4.32Å; M23-K28 VanDerWaalsContact O-CB 3.26Å; M23-K28 WeakPolarHBondContact O-CB 3.46Å; M23-K28 WeakPolarHBondContact O-CG 3.46Å; M23-K28 PolarHBondContact O-N 3.04Å; K28-V30 HydrophobicContact CB-CG2 4.24Å; K28-V30 PolarHBondContact O-N 3.39Å
29	K	95.5	Very high	93.2	Very high	82 Å²	82	35.8 Å²	35.8	36%	0.357	19%	0.185	S	C	.	.			trans	-78.4	110.7	170.1	-165.8	-172.5	174	-165.1	0	109.3	E3 E4 Y5 D6 V7	E3-K29 IonicContact OE2-NZ 2.69Å; E3-K29 PolarHBondContact OE2-NZ 2.97Å; E4-K29 WeakPolarHBondContact O-CD 3.48Å; E4-K29 PolarHBondContact O-NZ 3.43Å; Y5-K29 HydrophobicContact CD1-CD 4.01Å; Y5-K29 HydrophobicContact CD1-CG 3.86Å; Y5-K29 HydrophobicContact CE1-CD 4.34Å; Y5-K29 HydrophobicContact CE1-CG 4.36Å; D6-K29 PolarHBondContact N-O 2.97Å; D6-K29 PolarHBondContact OD2-N 2.81Å; V7-K29 PolarHBondContact N-O 3.46Å
30	V	96.5	Very high	93	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131	-174	-175.1	0	0	0	0	111.8	V7 V9 S20 M23 S24 K28 G247 T248	V7-V30 HydrophobicContact CB-CG2 4.46Å; V7-V30 WeakPolarHBondContact O-CA 3.33Å; V9-V30 HydrophobicContact CG2-CG1 3.88Å; S20-V30 WeakPolarHBondContact OG-CG1 3.38Å; M23-V30 HydrophobicContact CB-CG2 3.91Å; S24-V30 WeakPolarHBondContact OG-CG2 3.46Å; K28-V30 HydrophobicContact CB-CG2 4.24Å; K28-V30 PolarHBondContact O-N 3.39Å; V30-G247 CarbonylContact O-C 3.59Å; V30-G247 VanDerWaalsContact O-CA 3.23Å; V30-G247 WeakPolarHBondContact O-CA 3.5Å; V30-T248 PolarHBondContact O-N 3.22Å
31	L	97.4	Very high	92.8	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123	164.7	170.7	64.9	0	0	0	109.1	Y5 V7 I8 V9 M33 T248 M250 A275	Y5-L31 HydrophobicContact CD1-CB 3.49Å; Y5-L31 VanDerWaalsContact CD1-CB 3.49Å; Y5-L31 HydrophobicContact CD2-CB 3.95Å; Y5-L31 HydrophobicContact CD2-CD2 4.02Å; Y5-L31 HydrophobicContact CE1-CB 3.56Å; Y5-L31 HydrophobicContact CE1-CG 4.46Å; Y5-L31 HydrophobicContact CE2-CB 4Å; Y5-L31 HydrophobicContact CE2-CD2 3.67Å; Y5-L31 HydrophobicContact CE2-CG 4.37Å; Y5-L31 HydrophobicContact CG-CB 3.69Å; V7-L31 PolarHBondContact O-N 3.49Å; I8-L31 CarbonylContact C-O 3.51Å; I8-L31 VanDerWaalsContact CA-O 3.26Å; I8-L31 WeakPolarHBondContact CA-O 3.47Å; I8-L31 HydrophobicContact CD1-CD2 4.25Å; I8-L31 HydrophobicContact CG1-CB 4.1Å; I8-L31 HydrophobicContact CG1-CD2 4.19Å; I8-L31 HydrophobicContact CG1-CG 4.47Å; V9-L31 PolarHBondContact N-O 2.69Å; L31-M33 HydrophobicContact CD1-CG 4Å; L31-M33 HydrophobicContact CD1-SD 4.44Å; L31-M33 HydrophobicContact CD2-CE 3.93Å; L31-M33 HydrophobicContact CD2-CG 4.31Å; L31-M33 HydrophobicContact CD2-SD 3.89Å; L31-M33 HydrophobicContact CG-CE 4.31Å; L31-M33 HydrophobicContact CG-CG 3.91Å; L31-M33 HydrophobicContact CG-SD 4.17Å; L31-T248 HydrophobicContact CD1-CG2 4.14Å; L31-M250 HydrophobicContact CD1-CE 3.84Å; L31-M250 HydrophobicContact CD1-CG 4.3Å; L31-M250 HydrophobicContact CD1-SD 4.16Å; L31-A275 HydrophobicContact CD2-CB 3.6Å
32	H	97.8	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.1	-177.8	-160	135.8	0	0	0	109.3	V9 G11 S20 T248 Y249 M250	V9-H32 HydrophobicContact CB-CB 4.32Å; V9-H32 VanDerWaalsContact CG1-CE1 3.44Å; V9-H32 WeakPolarHBondContact CG1-CE1 3.45Å; V9-H32 CarbonylContact O-C 3.57Å; V9-H32 WeakPolarHBondContact O-CA 3.26Å; G11-H32 PolarHBondContact O-NE2 3.4Å; S20-H32 WeakPolarHBondContact CB-ND1 3.48Å; S20-H32 PolarHBondContact OG-ND1 2.98Å; H32-T248 PolarHBondContact N-O 3.3Å; H32-Y249 HydrophobicContact CB-CD1 3.97Å; H32-Y249 HydrophobicContact CB-CD2 3.69Å; H32-Y249 HydrophobicContact CB-CE1 3.92Å; H32-Y249 HydrophobicContact CB-CE2 3.53Å; H32-Y249 HydrophobicContact CB-CG 3.91Å; H32-Y249 AromaticContact CD2-CE1 3.76Å; H32-Y249 AromaticContact CE1-CE1 3.76Å; H32-Y249 AromaticContact CE1-CZ 3.69Å; H32-Y249 PolarHBondContact CE1-OH 3.25Å; H32-Y249 AromaticContact CG-CD1 3.92Å; H32-Y249 AromaticContact CG-CE1 3.47Å; H32-Y249 VanDerWaalsContact CG-CE1 3.47Å; H32-Y249 AromaticContact CG-CE2 3.79Å; H32-Y249 AromaticContact CG-CZ 3.42Å; H32-Y249 VanDerWaalsContact CG-CZ 3.42Å; H32-Y249 AromaticContact ND1-CE1 3.48Å; H32-Y249 WeakPolarHBondContact ND1-CE1 3.14Å; H32-Y249 AromaticContact ND1-CE2 3.7Å; H32-Y249 AromaticContact ND1-CZ 3.1Å; H32-Y249 PolarHBondContact ND1-OH 3.1Å; H32-Y249 AromaticContact NE2-CE1 3.91Å; H32-Y249 CarbonylContact O-C 3.57Å; H32-Y249 VanDerWaalsContact O-CA 3.27Å; H32-Y249 WeakPolarHBondContact O-CA 3.38Å; H32-M250 PolarHBondContact O-N 3.43Å
33	M	97.3	Very high	93.1	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144	-175.3	-57.9	-175.4	-76.1	0	0	111.5	I8 V9 L10 G11 L31 M250 K253 I255 V268	I8-M33 HydrophobicContact CG2-CE 3.72Å; V9-M33 PolarHBondContact O-N 2.97Å; L10-M33 WeakPolarHBondContact CA-O 3.49Å; L10-M33 HydrophobicContact CD2-CB 4.14Å; L10-M33 HydrophobicContact CD2-CE 3.7Å; G11-M33 PolarHBondContact N-O 3.23Å; L31-M33 HydrophobicContact CD1-CG 4Å; L31-M33 HydrophobicContact CD1-SD 4.44Å; L31-M33 HydrophobicContact CD2-CE 3.93Å; L31-M33 HydrophobicContact CD2-CG 4.31Å; L31-M33 HydrophobicContact CD2-SD 3.89Å; L31-M33 HydrophobicContact CG-CE 4.31Å; L31-M33 HydrophobicContact CG-CG 3.91Å; L31-M33 HydrophobicContact CG-SD 4.17Å; M33-M250 CarbonylContact C-O 3.52Å; M33-M250 VanDerWaalsContact CA-O 3.29Å; M33-M250 WeakPolarHBondContact CA-O 3.47Å; M33-M250 HydrophobicContact CG-CB 4.21Å; M33-K253 HydrophobicContact SD-CG 4.1Å; M33-I255 HydrophobicContact CB-CD1 4.27Å; M33-I255 HydrophobicContact CE-CD1 4.02Å; M33-I255 HydrophobicContact SD-CD1 4.28Å; M33-V268 HydrophobicContact CE-CB 4.02Å; M33-V268 HydrophobicContact CE-CG1 3.88Å
34	D	97.4	Very high	93.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.			trans	-130.5	140.2	171.2	-154.5	-49.3	0	0	0	110.3	T12 N36 M250 L251 N252 K253 Y286	T12-D34 WeakPolarHBondContact CB-OD2 3.12Å; T12-D34 HydrophobicContact CG2-CB 3.82Å; T12-D34 PolarHBondContact N-OD2 3.31Å; T12-D34 PolarHBondContact OG1-OD2 2.89Å; D34-N36 VanDerWaalsContact C-N 3.25Å; D34-N36 VanDerWaalsContact OD1-CB 3.32Å; D34-N36 WeakPolarHBondContact OD1-CB 3.27Å; D34-N36 PolarHBondContact OD1-N 3.35Å; D34-N36 PolarHBondContact OD1-ND2 3.12Å; D34-M250 PolarHBondContact N-O 2.98Å; D34-L251 HydrophobicContact CB-CD2 3.61Å; D34-L251 CarbonylContact O-C 3.48Å; D34-N252 PolarHBondContact O-N 3.2Å; D34-N252 VanDerWaalsContact O-N 3.14Å; D34-K253 PolarHBondContact O-N 3.03Å; D34-Y286 PolarHBondContact OD1-OH 3.01Å
35	R	96.6	Very high	93.6	Very high	101 Å²	101	41.2 Å²	41.2	38%	0.381	22%	0.216	S	C	.	.	S	Bend	trans	-73.5	-24.5	175.1	73.1	-177.5	83.5	-175.8	9.9	111.5	K253 S285 Y286	R35-K253 WeakPolarHBondContact CA-O 3.1Å; R35-S285 PolarHBondContact NH2-O 2.9Å; R35-S285 PolarHBondContact NH2-OG 2.49Å; R35-S285 VanDerWaalsContact NH2-OG 3.14Å; R35-Y286 PolarHBondContact N-OH 2.74Å; R35-Y286 VanDerWaalsContact NH2-CA 3.31Å
36	N	94.5	Very high	94.2	Very high	43 Å²	43	40.2 Å²	40.2	23%	0.23	21%	0.209	C	C	.	.	S	Bend	trans	-80.6	152.9	179.6	-59.3	-67.6	0	0	0	110.9	D34 Y38 N252	D34-N36 VanDerWaalsContact C-N 3.25Å; D34-N36 VanDerWaalsContact OD1-CB 3.32Å; D34-N36 WeakPolarHBondContact OD1-CB 3.27Å; D34-N36 PolarHBondContact OD1-N 3.35Å; D34-N36 PolarHBondContact OD1-ND2 3.12Å; N36-Y38 HydrophobicContact CB-CD1 3.99Å; N36-Y38 HydrophobicContact CB-CD2 4.46Å; N36-Y38 HydrophobicContact CB-CE1 3.8Å; N36-Y38 HydrophobicContact CB-CE2 4.31Å; N36-Y38 HydrophobicContact CB-CG 4.31Å; N36-Y38 PolarHBondContact O-N 3.15Å; N36-N252 PolarHBondContact O-N 3.49Å
37	S	92.8	Very high	94.6	Very high	87 Å²	87	39.3 Å²	39.3	61%	0.608	21%	0.21	S	C	*	.	S	Bend	trans	-80.2	4.9	173	57.1	0	0	0	0	113.8
38	Y	92.5	Very high	95	Very high	78 Å²	78	38 Å²	38	31%	0.306	19%	0.19	S	C	.	.	S	Bend	trans	-137.5	159.4	-176	58.3	-90.9	0	0	0	110.7	N36 A44 R55	N36-Y38 HydrophobicContact CB-CD1 3.99Å; N36-Y38 HydrophobicContact CB-CD2 4.46Å; N36-Y38 HydrophobicContact CB-CE1 3.8Å; N36-Y38 HydrophobicContact CB-CE2 4.31Å; N36-Y38 HydrophobicContact CB-CG 4.31Å; N36-Y38 PolarHBondContact O-N 3.15Å; Y38-A44 HydrophobicContact CD2-CB 3.8Å; Y38-A44 HydrophobicContact CE2-CB 3.7Å; Y38-R55 PolarHBondContact OH-NH1 3.14Å
39	Y	94	Very high	95.3	Very high	68 Å²	68	33.7 Å²	33.7	27%	0.267	17%	0.171	S	C	.	.	S	Bend	trans	-83.4	156.6	177.4	-70.2	-73	0	0	0	113.2	T12 A44 P235 Q236 A239 Y249 L251	T12-Y39 HydrophobicContact CG2-CD1 3.75Å; T12-Y39 HydrophobicContact CG2-CE1 4.1Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.25Å; Y39-A44 WeakPolarHBondContact O-CB 3.4Å; Y39-P235 HydrophobicContact CD1-CB 4.46Å; Y39-P235 HydrophobicContact CG-CB 4.48Å; Y39-Q236 HydrophobicContact CD2-CG 3.8Å; Y39-Q236 HydrophobicContact CE2-CG 4.29Å; Y39-Q236 HydrophobicContact CG-CG 4.36Å; Y39-A239 HydrophobicContact CE1-CB 3.89Å; Y39-Y249 AromaticContact CE1-CD1 3.89Å; Y39-Y249 HydrophobicContact CE1-CD1 3.89Å; Y39-Y249 HydrophobicContact CE1-CE1 4.3Å; Y39-L251 HydrophobicContact CD1-CD1 4.38Å; Y39-L251 HydrophobicContact CD1-CD2 3.96Å; Y39-L251 HydrophobicContact CD2-CD1 3.99Å; Y39-L251 HydrophobicContact CE1-CD1 4.1Å; Y39-L251 HydrophobicContact CE1-CD2 3.84Å; Y39-L251 HydrophobicContact CE1-CG 4.14Å; Y39-L251 HydrophobicContact CE2-CD1 3.69Å; Y39-L251 HydrophobicContact CG-CD1 4.32Å; Y39-L251 HydrophobicContact CG-CD2 4.5Å
40	G	91.3	Very high	95.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	101.9	-9.8	166.3	0	0	0	0	0	115.1	T12 E42 S43 A44	T12-G40 WeakPolarHBondContact O-CA 3.36Å; T12-G40 PolarHBondContact O-N 3.49Å; T12-G40 VanDerWaalsContact O-N 3.12Å; T12-G40 PolarHBondContact OG1-N 3.35Å; G40-E42 PolarHBondContact O-N 3.28Å; G40-S43 CarbonylContact O-C 3.53Å; G40-S43 VanDerWaalsContact O-C 3.32Å; G40-S43 WeakPolarHBondContact O-CA 3.29Å; G40-S43 PolarHBondContact O-N 2.93Å; G40-S43 PolarHBondContact O-OG 2.94Å; G40-A44 PolarHBondContact O-N 3.4Å
41	A	90.5	Very high	95.4	Very high	10 Å²	10	36 Å²	36	8%	0.083	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	47	-122.5	-179	0	0	0	0	0	112.2	S43 A44	A41-S43 PolarHBondContact O-N 3.3Å; A41-A44 VanDerWaalsContact O-CB 3.3Å; A41-A44 WeakPolarHBondContact O-CB 3.37Å; A41-A44 PolarHBondContact O-N 3.05Å
42	E	91.2	Very high	95.4	Very high	78 Å²	78	35.9 Å²	35.9	36%	0.364	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-66.2	-25.7	177.4	-63.6	-167.4	154.4	0	0	113.8	G40 I77 T403	G40-E42 PolarHBondContact O-N 3.28Å; E42-I77 HydrophobicContact CB-CD1 4.2Å; E42-I77 WeakPolarHBondContact O-CD1 3.27Å; E42-T403 WeakPolarHBondContact OE2-CG2 3.33Å
43	S	93.9	Very high	95.4	Very high	11 Å²	11	36.4 Å²	36.4	8%	0.077	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-94.6	17.1	178.2	58.4	0	0	0	0	113.7	G40 A41	G40-S43 CarbonylContact O-C 3.53Å; G40-S43 VanDerWaalsContact O-C 3.32Å; G40-S43 WeakPolarHBondContact O-CA 3.29Å; G40-S43 PolarHBondContact O-N 2.93Å; G40-S43 PolarHBondContact O-OG 2.94Å; A41-S43 PolarHBondContact O-N 3.3Å
44	A	95.6	Very high	95.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-61	151.2	-178.3	0	0	0	0	0	113.4	Y38 Y39 G40 A41 I46 L76	Y38-A44 HydrophobicContact CD2-CB 3.8Å; Y38-A44 HydrophobicContact CE2-CB 3.7Å; Y39-A44 WeakPolarHBondContact O-CB 3.4Å; G40-A44 PolarHBondContact O-N 3.4Å; A41-A44 VanDerWaalsContact O-CB 3.3Å; A41-A44 WeakPolarHBondContact O-CB 3.37Å; A41-A44 PolarHBondContact O-N 3.05Å; A44-I46 HydrophobicContact CB-CD1 4.22Å; A44-L76 WeakPolarHBondContact O-CG 3.06Å; A44-L76 PolarHBondContact O-N 3.4Å
45	S	97.1	Very high	95.2	Very high	23 Å²	23	48.3 Å²	48.3	16%	0.161	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.4	166.3	-153.2	0	0	0	0	109.1	N73 V74 D75	S45-N73 PolarHBondContact OG-O 2.79Å; S45-V74 PolarHBondContact OG-N 3.45Å; S45-D75 WeakPolarHBondContact CB-OD1 3.41Å; S45-D75 PolarHBondContact OG-OD1 3.36Å
46	I	97.3	Very high	95.2	Very high	16 Å²	16	45.5 Å²	45.5	8%	0.082	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.4	-175.2	-52.1	-56.9	0	0	0	109.9	A44 D51 L52 V74 L76	A44-I46 HydrophobicContact CB-CD1 4.22Å; I46-D51 HydrophobicContact CG2-CB 3.94Å; I46-L52 HydrophobicContact CB-CD1 4.12Å; I46-L52 HydrophobicContact CG1-CD1 4.23Å; I46-L52 HydrophobicContact CG2-CB 4.05Å; I46-L52 HydrophobicContact CG2-CD1 4.38Å; I46-V74 PolarHBondContact N-O 3.49Å; I46-V74 PolarHBondContact O-N 2.98Å; I46-L76 HydrophobicContact CD1-CD1 4.11Å; I46-L76 HydrophobicContact CD1-CG 4.39Å; I46-L76 HydrophobicContact CG1-CD1 4.17Å; I46-L76 HydrophobicContact CG1-CD2 3.9Å; I46-L76 HydrophobicContact CG1-CG 3.94Å
47	T	96.3	Very high	95.4	Very high	61 Å²	61	48.7 Å²	48.7	37%	0.374	25%	0.252	S	S	.	.			trans	-146.6	141.4	175.5	-171.1	0	0	0	0	109.6	W72	T47-W72 WeakPolarHBondContact CB-O 3.41Å; T47-W72 PolarHBondContact OG1-O 3.29Å
48	P	97.1	Very high	95.5	Very high	40 Å²	40	46.8 Å²	46.8	26%	0.26	23%	0.234	S	C	.	.	S	Bend	cis	-77.6	177.5	-5	37.3	-39.6	0	0	0	112.5	E50 D51 G69	P48-E50 VanDerWaalsContact CB-OE2 3.23Å; P48-E50 WeakPolarHBondContact CB-OE2 3.38Å; P48-E50 WeakPolarHBondContact CG-OE2 3.39Å; P48-E50 PolarHBondContact O-N 3.5Å; P48-E50 VanDerWaalsContact O-N 3.12Å; P48-D51 WeakPolarHBondContact O-CB 3.37Å; P48-D51 PolarHBondContact O-N 3.11Å; P48-G69 VanDerWaalsContact CA-O 3.31Å; P48-G69 WeakPolarHBondContact CA-O 3.39Å; P48-G69 WeakPolarHBondContact CB-O 3.27Å
49	L	98	Very high	95.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-54.5	-31.8	-179	-175.9	61.9	0	0	0	113.8	D51 L52 Y53 P62 M66 G69 W72 I303	L49-D51 PolarHBondContact O-N 2.87Å; L49-L52 HydrophobicContact CD1-CB 4.28Å; L49-L52 HydrophobicContact CD1-CD2 3.87Å; L49-L52 WeakPolarHBondContact O-CB 3.35Å; L49-L52 PolarHBondContact O-N 2.73Å; L49-L52 VanDerWaalsContact O-N 3.11Å; L49-Y53 HydrophobicContact CD1-CD2 4.34Å; L49-Y53 HydrophobicContact CD1-CE2 4.21Å; L49-Y53 HydrophobicContact CD2-CE2 4.32Å; L49-Y53 HydrophobicContact CG-CD2 4.16Å; L49-Y53 HydrophobicContact CG-CE2 4.05Å; L49-Y53 WeakPolarHBondContact O-CD2 3.47Å; L49-Y53 PolarHBondContact O-N 2.93Å; L49-Y53 VanDerWaalsContact O-N 3.1Å; L49-P62 HydrophobicContact CB-CG 4.21Å; L49-P62 HydrophobicContact CD2-CB 3.62Å; L49-P62 HydrophobicContact CD2-CG 3.95Å; L49-P62 HydrophobicContact CG-CB 4.04Å; L49-P62 HydrophobicContact CG-CG 3.78Å; L49-M66 HydrophobicContact CD2-CB 3.62Å; L49-M66 HydrophobicContact CD2-CG 3.95Å; L49-G69 PolarHBondContact N-O 3.34Å; L49-W72 HydrophobicContact CB-CB 4.05Å; L49-W72 HydrophobicContact CB-CD2 4.28Å; L49-W72 HydrophobicContact CB-CG 3.77Å; L49-W72 HydrophobicContact CD1-CD2 4.12Å; L49-W72 HydrophobicContact CD1-CE3 4.16Å; L49-W72 HydrophobicContact CD1-CG 4.38Å; L49-W72 HydrophobicContact CD2-CD2 4.02Å; L49-W72 HydrophobicContact CD2-CG 4.31Å; L49-W72 HydrophobicContact CD2-CZ2 4.04Å; L49-W72 HydrophobicContact CG-CD2 4.37Å; L49-W72 HydrophobicContact CG-CG 4.37Å; L49-I303 HydrophobicContact CD1-CD1 3.89Å; L49-I303 HydrophobicContact CD2-CD1 4.49Å
50	E	97.8	Very high	95.3	Very high	70 Å²	70	48.8 Å²	48.8	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-57.3	-36.4	174.8	-65.7	77.6	-178.6	0	0	112	P48 L52 Y53 K54 P62 G69	P48-E50 VanDerWaalsContact CB-OE2 3.23Å; P48-E50 WeakPolarHBondContact CB-OE2 3.38Å; P48-E50 WeakPolarHBondContact CG-OE2 3.39Å; P48-E50 PolarHBondContact O-N 3.5Å; P48-E50 VanDerWaalsContact O-N 3.12Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-Y53 PolarHBondContact O-N 2.86Å; E50-K54 WeakPolarHBondContact O-CG 3.32Å; E50-K54 PolarHBondContact O-N 3.48Å; E50-P62 HydrophobicContact CG-CG 4.1Å; E50-G69 WeakPolarHBondContact OE2-CA 3.31Å
51	D	96.8	Very high	95.4	Very high	61 Å²	61	52.6 Å²	52.6	33%	0.326	31%	0.309	S	S	.	.	H	α-helix	trans	-74.6	-27.8	179.2	-72.7	-7.2	0	0	0	111.7	I46 P48 L49 K54 R55	I46-D51 HydrophobicContact CG2-CB 3.94Å; P48-D51 WeakPolarHBondContact O-CB 3.37Å; P48-D51 PolarHBondContact O-N 3.11Å; L49-D51 PolarHBondContact O-N 2.87Å; D51-K54 PolarHBondContact O-N 3.33Å; D51-K54 IonicContact OD1-NZ 2.79Å; D51-K54 PolarHBondContact OD1-NZ 3.37Å; D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.43Å; D51-R55 PolarHBondContact O-N 2.87Å
52	L	97.3	Very high	95.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-45.2	169.1	-170.4	71.5	0	0	0	110.7	I46 L49 E50 K54 R55 F56 V74 L76 F380	I46-L52 HydrophobicContact CB-CD1 4.12Å; I46-L52 HydrophobicContact CG1-CD1 4.23Å; I46-L52 HydrophobicContact CG2-CB 4.05Å; I46-L52 HydrophobicContact CG2-CD1 4.38Å; L49-L52 HydrophobicContact CD1-CB 4.28Å; L49-L52 HydrophobicContact CD1-CD2 3.87Å; L49-L52 WeakPolarHBondContact O-CB 3.35Å; L49-L52 PolarHBondContact O-N 2.73Å; L49-L52 VanDerWaalsContact O-N 3.11Å; E50-L52 VanDerWaalsContact C-N 3.34Å; L52-K54 PolarHBondContact O-N 2.59Å; L52-R55 PolarHBondContact O-N 2.63Å; L52-F56 HydrophobicContact CD1-CD2 3.95Å; L52-F56 HydrophobicContact CD1-CE2 3.64Å; L52-F56 HydrophobicContact CG-CD2 4.25Å; L52-F56 HydrophobicContact CG-CE2 4.37Å; L52-F56 WeakPolarHBondContact O-CD2 3.26Å; L52-F56 PolarHBondContact O-N 2.89Å; L52-F56 VanDerWaalsContact O-N 3.12Å; L52-V74 HydrophobicContact CD1-CB 4.48Å; L52-V74 HydrophobicContact CD1-CG1 4.31Å; L52-V74 HydrophobicContact CD2-CB 4Å; L52-V74 HydrophobicContact CD2-CG1 3.81Å; L52-V74 HydrophobicContact CD2-CG2 4.04Å; L52-L76 HydrophobicContact CD1-CD2 4.22Å; L52-F380 HydrophobicContact CD2-CD1 4.13Å; L52-F380 HydrophobicContact CD2-CD2 4.13Å; L52-F380 HydrophobicContact CD2-CE1 3.79Å; L52-F380 HydrophobicContact CD2-CE2 3.82Å; L52-F380 HydrophobicContact CD2-CG 4.29Å; L52-F380 HydrophobicContact CD2-CZ 3.64Å; L52-F380 HydrophobicContact CG-CD1 3.97Å; L52-F380 HydrophobicContact CG-CE1 3.8Å; L52-F380 HydrophobicContact CG-CG 4.47Å; L52-F380 HydrophobicContact CG-CZ 4.18Å
53	Y	97.9	Very high	96	Very high	12 Å²	12	52.3 Å²	52.3	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-46.6	175	-89.1	-116.8	0	0	0	111.8	L49 E50 R55 F56 S57 L58 P62 F380	L49-Y53 HydrophobicContact CD1-CD2 4.34Å; L49-Y53 HydrophobicContact CD1-CE2 4.21Å; L49-Y53 HydrophobicContact CD2-CE2 4.32Å; L49-Y53 HydrophobicContact CG-CD2 4.16Å; L49-Y53 HydrophobicContact CG-CE2 4.05Å; L49-Y53 WeakPolarHBondContact O-CD2 3.47Å; L49-Y53 PolarHBondContact O-N 2.93Å; L49-Y53 VanDerWaalsContact O-N 3.1Å; E50-Y53 PolarHBondContact O-N 2.86Å; Y53-R55 PolarHBondContact O-N 3.26Å; Y53-F56 CarbonylContact O-C 3.19Å; Y53-F56 PolarHBondContact O-N 3.22Å; Y53-S57 PolarHBondContact O-N 2.9Å; Y53-S57 VanDerWaalsContact O-N 3.15Å; Y53-L58 HydrophobicContact CD1-CB 3.73Å; Y53-L58 HydrophobicContact CD1-CD1 3.93Å; Y53-L58 HydrophobicContact CE1-CB 4.38Å; Y53-L58 HydrophobicContact CE1-CD1 4.09Å; Y53-L58 HydrophobicContact CG-CB 4.28Å; Y53-L58 HydrophobicContact CG-CD1 4.17Å; Y53-L58 PolarHBondContact O-N 3.42Å; Y53-P62 HydrophobicContact CD2-CB 4.27Å; Y53-P62 HydrophobicContact CD2-CG 3.68Å; Y53-P62 HydrophobicContact CE2-CB 3.84Å; Y53-P62 HydrophobicContact CE2-CG 3.78Å; Y53-P62 HydrophobicContact CG-CG 4.08Å; Y53-F380 AromaticContact CD2-CE1 3.77Å; Y53-F380 HydrophobicContact CD2-CE1 3.77Å; Y53-F380 AromaticContact CD2-CZ 3.88Å; Y53-F380 HydrophobicContact CD2-CZ 3.88Å; Y53-F380 AromaticContact CE2-CE1 3.93Å; Y53-F380 HydrophobicContact CE2-CE1 3.93Å; Y53-F380 AromaticContact CE2-CZ 3.6Å; Y53-F380 HydrophobicContact CE2-CZ 3.6Å; Y53-F380 HydrophobicContact CG-CE1 4.37Å
54	K	96.6	Very high	96	Very high	141 Å²	141	61 Å²	61	61%	0.613	35%	0.353	S	S	*	.	H	α-helix	trans	-59.7	-46.2	176.1	-69.9	171.7	-161.2	159.1	0	111.9	E50 D51 L52 F56 S57	E50-K54 WeakPolarHBondContact O-CG 3.32Å; E50-K54 PolarHBondContact O-N 3.48Å; D51-K54 PolarHBondContact O-N 3.33Å; D51-K54 IonicContact OD1-NZ 2.79Å; D51-K54 PolarHBondContact OD1-NZ 3.37Å; L52-K54 PolarHBondContact O-N 2.59Å; K54-F56 VanDerWaalsContact C-N 3.27Å; K54-F56 PolarHBondContact O-N 2.91Å; K54-S57 PolarHBondContact O-N 3.44Å
55	R	95.2	Very high	96.1	Very high	114 Å²	114	64.6 Å²	64.6	43%	0.43	38%	0.378	S	S	.	.	H	α-helix	trans	-58.2	-40.6	-179.2	-175.9	178	-177.3	92.1	-1.2	112	Y38 D51 L52 Y53 S57 L76	Y38-R55 PolarHBondContact OH-NH1 3.14Å; D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.43Å; D51-R55 PolarHBondContact O-N 2.87Å; L52-R55 PolarHBondContact O-N 2.63Å; Y53-R55 PolarHBondContact O-N 3.26Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.19Å; R55-L76 VanDerWaalsContact CZ-CD1 3.5Å
56	F	96.8	Very high	96.1	Very high	41 Å²	41	63.7 Å²	63.7	18%	0.18	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	12.2	178.3	-74.6	-92.6	0	0	0	113.5	L52 Y53 K54 L58 L76 I301 F380 V381	L52-F56 HydrophobicContact CD1-CD2 3.95Å; L52-F56 HydrophobicContact CD1-CE2 3.64Å; L52-F56 HydrophobicContact CG-CD2 4.25Å; L52-F56 HydrophobicContact CG-CE2 4.37Å; L52-F56 WeakPolarHBondContact O-CD2 3.26Å; L52-F56 PolarHBondContact O-N 2.89Å; L52-F56 VanDerWaalsContact O-N 3.12Å; Y53-F56 CarbonylContact O-C 3.19Å; Y53-F56 PolarHBondContact O-N 3.22Å; K54-F56 VanDerWaalsContact C-N 3.27Å; K54-F56 PolarHBondContact O-N 2.91Å; F56-L58 HydrophobicContact CB-CG 4.21Å; F56-L58 PolarHBondContact O-N 3.33Å; F56-L58 VanDerWaalsContact O-N 3.13Å; F56-L76 HydrophobicContact CE2-CD2 4.03Å; F56-L76 HydrophobicContact CZ-CD2 4.32Å; F56-I301 HydrophobicContact CE2-CD1 4.43Å; F56-I301 HydrophobicContact CZ-CD1 4.25Å; F56-F380 HydrophobicContact CB-CD1 3.92Å; F56-F380 HydrophobicContact CD1-CB 3.73Å; F56-F380 HydrophobicContact CD2-CB 3.93Å; F56-F380 AromaticContact CD2-CD1 3.8Å; F56-F380 HydrophobicContact CD2-CD1 3.8Å; F56-F380 HydrophobicContact CD2-CG 4.26Å; F56-F380 HydrophobicContact CE1-CB 3.75Å; F56-F380 HydrophobicContact CE2-CB 3.98Å; F56-F380 HydrophobicContact CE2-CD1 4.48Å; F56-F380 HydrophobicContact CG-CB 3.8Å; F56-F380 AromaticContact CG-CD1 3.86Å; F56-F380 HydrophobicContact CG-CD1 3.86Å; F56-F380 HydrophobicContact CG-CG 4.33Å; F56-F380 HydrophobicContact CZ-CB 3.88Å; F56-V381 WeakPolarHBondContact CD1-O 3.18Å; F56-V381 WeakPolarHBondContact CE1-O 3.32Å
57	S	96.8	Very high	96.1	Very high	111 Å²	111	65.1 Å²	65.1	78%	0.776	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	33.6	178.7	-56.4	0	0	0	0	113.7	Y53 K54 R55	Y53-S57 PolarHBondContact O-N 2.9Å; Y53-S57 VanDerWaalsContact O-N 3.15Å; K54-S57 PolarHBondContact O-N 3.44Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.19Å
58	L	95.1	Very high	96.1	Very high	47 Å²	47	68.3 Å²	68.3	25%	0.246	40%	0.398	C	S	.	.			trans	-76.6	138.9	178.2	-67.4	179	0	0	0	110.5	Y53 F56 Q378 F380	Y53-L58 HydrophobicContact CD1-CB 3.73Å; Y53-L58 HydrophobicContact CD1-CD1 3.93Å; Y53-L58 HydrophobicContact CE1-CB 4.38Å; Y53-L58 HydrophobicContact CE1-CD1 4.09Å; Y53-L58 HydrophobicContact CG-CB 4.28Å; Y53-L58 HydrophobicContact CG-CD1 4.17Å; Y53-L58 PolarHBondContact O-N 3.42Å; F56-L58 HydrophobicContact CB-CG 4.21Å; F56-L58 PolarHBondContact O-N 3.33Å; F56-L58 VanDerWaalsContact O-N 3.13Å; L58-Q378 HydrophobicContact CD1-CG 4.34Å; L58-F380 HydrophobicContact CD1-CD1 3.55Å; L58-F380 HydrophobicContact CD1-CE1 3.33Å; L58-F380 HydrophobicContact CD1-CZ 4.19Å
59	P	92.3	Very high	96.2	Very high	120 Å²	120	66.8 Å²	66.8	78%	0.779	39%	0.39	S	S	*	.	S	Bend	trans	-71.6	138.8	179.1	29.4	-33.9	0	0	0	111.3
60	G	90.6	Very high	96.1	Very high	68 Å²	68	75 Å²	75	70%	0.701	42%	0.421	S	S	*	.	S	Bend	trans	82	-175.2	174.6	0	0	0	0	0	114.5
61	A	93.9	Very high	96.1	Very high	79 Å²	79	74.9 Å²	74.9	65%	0.653	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-93.3	158.6	173.1	0	0	0	0	0	110.2
62	P	96.5	Very high	96.2	Very high	21 Å²	21	72 Å²	72	14%	0.136	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-53.3	136.8	169.8	-18.6	29.1	0	0	0	110.5	L49 E50 Y53 M66	L49-P62 HydrophobicContact CB-CG 4.21Å; L49-P62 HydrophobicContact CD2-CB 3.62Å; L49-P62 HydrophobicContact CD2-CG 3.95Å; L49-P62 HydrophobicContact CG-CB 4.04Å; L49-P62 HydrophobicContact CG-CG 3.78Å; E50-P62 HydrophobicContact CG-CG 4.1Å; Y53-P62 HydrophobicContact CD2-CB 4.27Å; Y53-P62 HydrophobicContact CD2-CG 3.68Å; Y53-P62 HydrophobicContact CE2-CB 3.84Å; Y53-P62 HydrophobicContact CE2-CG 3.78Å; Y53-P62 HydrophobicContact CG-CG 4.08Å; P62-M66 HydrophobicContact CB-CB 4.32Å; P62-M66 HydrophobicContact CB-CG 4.32Å
63	P	96.4	Very high	96.3	Very high	62 Å²	62	73.4 Å²	73.4	40%	0.403	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-65.8	154	179.7	25.6	-31.1	0	0	0	111	S65 M66	P63-S65 PolarHBondContact O-N 3.18Å; P63-M66 HydrophobicContact CG-CE 4.29Å; P63-M66 HydrophobicContact CG-CG 3.86Å; P63-M66 VanDerWaalsContact O-CB 3.32Å; P63-M66 WeakPolarHBondContact O-CB 3.25Å; P63-M66 PolarHBondContact O-N 2.92Å
64	E	95.9	Very high	96.3	Very high	194 Å²	194	72.9 Å²	72.9	91%	0.907	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-55.8	-27.3	-178.6	-66.3	-174.6	171.3	0	0	113.3	M66 G67	E64-M66 PolarHBondContact O-N 2.77Å; E64-M66 VanDerWaalsContact O-N 3.14Å; E64-G67 PolarHBondContact O-N 2.85Å; E64-G67 VanDerWaalsContact O-N 3.08Å
65	S	96.4	Very high	96.4	Very high	75 Å²	75	66.3 Å²	66.3	52%	0.524	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-62	-16.1	175	59.2	0	0	0	0	113.9	P63 G67 K348	P63-S65 PolarHBondContact O-N 3.18Å; S65-G67 VanDerWaalsContact C-N 3.27Å; S65-K348 WeakPolarHBondContact O-CE 3.38Å; S65-K348 PolarHBondContact O-NZ 3.22Å
66	M	97.1	Very high	96.5	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.02	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-80.2	-4.3	175.3	-63.2	-63	-178.2	0	0	113.3	L49 P62 P63 E64 W72 I303 A345 E377 Q378	L49-M66 HydrophobicContact CD2-CB 3.62Å; L49-M66 HydrophobicContact CD2-CG 3.95Å; P62-M66 HydrophobicContact CB-CB 4.32Å; P62-M66 HydrophobicContact CB-CG 4.32Å; P63-M66 HydrophobicContact CG-CE 4.29Å; P63-M66 HydrophobicContact CG-CG 3.86Å; P63-M66 VanDerWaalsContact O-CB 3.32Å; P63-M66 WeakPolarHBondContact O-CB 3.25Å; P63-M66 PolarHBondContact O-N 2.92Å; E64-M66 PolarHBondContact O-N 2.77Å; E64-M66 VanDerWaalsContact O-N 3.14Å; M66-W72 HydrophobicContact CB-CZ2 4.15Å; M66-W72 VanDerWaalsContact O-CZ2 3.26Å; M66-W72 WeakPolarHBondContact O-CZ2 3.38Å; M66-W72 PolarHBondContact O-NE1 3.4Å; M66-W72 HydrophobicContact SD-CH2 4.35Å; M66-W72 HydrophobicContact SD-CZ2 4.24Å; M66-I303 HydrophobicContact CE-CB 4.42Å; M66-I303 HydrophobicContact CE-CD1 4.43Å; M66-I303 HydrophobicContact CE-CG2 3.95Å; M66-I303 HydrophobicContact SD-CD1 4.29Å; M66-I303 HydrophobicContact SD-CG2 3.66Å; M66-A345 VanDerWaalsContact O-CB 3.29Å; M66-A345 WeakPolarHBondContact O-CB 3.23Å; M66-E377 HydrophobicContact CE-CB 3.85Å; M66-E377 WeakPolarHBondContact CE-OE2 3.3Å; M66-Q378 HydrophobicContact CE-CB 3.98Å
67	G	97.1	Very high	96.5	Very high	46 Å²	46	60.1 Å²	60.1	47%	0.474	36%	0.361	S	S	.	.			trans	71.7	-158.5	-177.1	0	0	0	0	0	112.6	E64 S65	E64-G67 PolarHBondContact O-N 2.85Å; E64-G67 VanDerWaalsContact O-N 3.08Å; S65-G67 VanDerWaalsContact C-N 3.27Å
68	K	97.4	Very high	96.3	Very high	127 Å²	127	55 Å²	55	55%	0.552	33%	0.326	S	S	*	.			trans	-79.1	126.4	-175.7	-61.8	175.4	-177.4	171.5	0	110	R70 D71 W72	K68-R70 HydrophobicContact CB-CG 4.41Å; K68-R70 PolarHBondContact O-N 2.8Å; K68-R70 VanDerWaalsContact O-N 3.12Å; K68-D71 WeakPolarHBondContact O-CB 3.2Å; K68-D71 PolarHBondContact O-N 2.87Å; K68-W72 VanDerWaalsContact O-CD1 3.28Å
69	G	97.6	Very high	96.4	Very high	8 Å²	8	52.9 Å²	52.9	8%	0.082	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-54.1	-34.7	-178	0	0	0	0	0	114.9	P48 L49 E50 D71 W72	P48-G69 VanDerWaalsContact CA-O 3.31Å; P48-G69 WeakPolarHBondContact CA-O 3.39Å; P48-G69 WeakPolarHBondContact CB-O 3.27Å; L49-G69 PolarHBondContact N-O 3.34Å; E50-G69 WeakPolarHBondContact OE2-CA 3.31Å; G69-D71 PolarHBondContact O-N 2.8Å; G69-W72 WeakPolarHBondContact O-CB 3.48Å; G69-W72 PolarHBondContact O-N 2.88Å
70	R	97.5	Very high	96.6	Very high	175 Å²	175	47.1 Å²	47.1	66%	0.66	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-68.9	-15.6	178.7	74.1	-174.9	-178.8	-158.1	6	115.2	K68 W72	K68-R70 HydrophobicContact CB-CG 4.41Å; K68-R70 PolarHBondContact O-N 2.8Å; K68-R70 VanDerWaalsContact O-N 3.12Å; R70-W72 PolarHBondContact O-N 3.2Å
71	D	97.9	Very high	97	Very high	66 Å²	66	43.9 Å²	43.9	35%	0.353	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-81.8	1.4	177.9	-58.7	-12.7	0	0	0	110.8	K68 G69 V343 A344 A345	K68-D71 WeakPolarHBondContact O-CB 3.2Å; K68-D71 PolarHBondContact O-N 2.87Å; G69-D71 PolarHBondContact O-N 2.8Å; D71-V343 CarbonylContact O-C 3.57Å; D71-A344 CarbonylContact O-C 3.58Å; D71-A344 WeakPolarHBondContact O-CA 3.1Å; D71-A344 PolarHBondContact O-N 3.06Å; D71-A345 HydrophobicContact CB-CB 4.34Å
72	W	98.6	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.			trans	-103.8	133.3	179	-62.2	79.1	0	0	0	111.3	T47 L49 M66 K68 G69 R70 V74 I303 V343 A344 A345 K348 V350	T47-W72 WeakPolarHBondContact CB-O 3.41Å; T47-W72 PolarHBondContact OG1-O 3.29Å; L49-W72 HydrophobicContact CB-CB 4.05Å; L49-W72 HydrophobicContact CB-CD2 4.28Å; L49-W72 HydrophobicContact CB-CG 3.77Å; L49-W72 HydrophobicContact CD1-CD2 4.12Å; L49-W72 HydrophobicContact CD1-CE3 4.16Å; L49-W72 HydrophobicContact CD1-CG 4.38Å; L49-W72 HydrophobicContact CD2-CD2 4.02Å; L49-W72 HydrophobicContact CD2-CG 4.31Å; L49-W72 HydrophobicContact CD2-CZ2 4.04Å; L49-W72 HydrophobicContact CG-CD2 4.37Å; L49-W72 HydrophobicContact CG-CG 4.37Å; M66-W72 HydrophobicContact CB-CZ2 4.15Å; M66-W72 VanDerWaalsContact O-CZ2 3.26Å; M66-W72 WeakPolarHBondContact O-CZ2 3.38Å; M66-W72 PolarHBondContact O-NE1 3.4Å; M66-W72 HydrophobicContact SD-CH2 4.35Å; M66-W72 HydrophobicContact SD-CZ2 4.24Å; K68-W72 VanDerWaalsContact O-CD1 3.28Å; G69-W72 WeakPolarHBondContact O-CB 3.48Å; G69-W72 PolarHBondContact O-N 2.88Å; R70-W72 PolarHBondContact O-N 3.2Å; W72-V74 HydrophobicContact CB-CG2 4.3Å; W72-V74 HydrophobicContact CE3-CG2 3.9Å; W72-I303 HydrophobicContact CE3-CD1 4.45Å; W72-I303 HydrophobicContact CH2-CB 4.48Å; W72-I303 HydrophobicContact CH2-CD1 3.85Å; W72-I303 HydrophobicContact CH2-CG1 4.11Å; W72-I303 HydrophobicContact CH2-CG2 3.57Å; W72-I303 HydrophobicContact CZ3-CD1 3.71Å; W72-I303 HydrophobicContact CZ3-CG1 3.86Å; W72-I303 HydrophobicContact CZ3-CG2 4.14Å; W72-V343 WeakPolarHBondContact CA-O 3.49Å; W72-A344 HydrophobicContact CD2-CB 4.28Å; W72-A344 HydrophobicContact CE3-CB 3.78Å; W72-A344 HydrophobicContact CH2-CB 4.16Å; W72-A344 HydrophobicContact CZ3-CB 3.72Å; W72-A345 HydrophobicContact CZ2-CB 4.18Å; W72-K348 HydrophobicContact CH2-CB 3.66Å; W72-K348 HydrophobicContact CH2-CD 4.47Å; W72-K348 HydrophobicContact CH2-CG 3.89Å; W72-K348 HydrophobicContact CZ2-CB 4.01Å; W72-K348 HydrophobicContact CZ2-CG 3.81Å; W72-K348 HydrophobicContact CZ3-CB 4.48Å; W72-V350 HydrophobicContact CE3-CG2 4.23Å; W72-V350 HydrophobicContact CZ3-CG2 3.79Å
73	N	98.3	Very high	97	Very high	30 Å²	30	40 Å²	40	16%	0.16	21%	0.21	C	C	.	.			trans	-135.7	87.9	170.6	-61.2	-72.6	0	0	0	106.7	S45 Y229 N342 V343	S45-N73 PolarHBondContact OG-O 2.79Å; N73-Y229 VanDerWaalsContact CB-O 3.24Å; N73-Y229 WeakPolarHBondContact CB-O 3.12Å; N73-N342 PolarHBondContact ND2-O 3.14Å; N73-V343 PolarHBondContact N-O 3.34Å; N73-V343 WeakPolarHBondContact O-CB 3.34Å
74	V	98.3	Very high	96.8	Very high	2 Å²	2	39 Å²	39	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	107.5	-168.6	-177.3	0	0	0	0	110.2	S45 I46 L52 W72 I301 V350	S45-V74 PolarHBondContact OG-N 3.45Å; I46-V74 PolarHBondContact N-O 3.49Å; I46-V74 PolarHBondContact O-N 2.98Å; L52-V74 HydrophobicContact CD1-CB 4.48Å; L52-V74 HydrophobicContact CD1-CG1 4.31Å; L52-V74 HydrophobicContact CD2-CB 4Å; L52-V74 HydrophobicContact CD2-CG1 3.81Å; L52-V74 HydrophobicContact CD2-CG2 4.04Å; W72-V74 HydrophobicContact CB-CG2 4.3Å; W72-V74 HydrophobicContact CE3-CG2 3.9Å; V74-I301 HydrophobicContact CG1-CD1 4.1Å; V74-I301 HydrophobicContact CG1-CG2 3.88Å; V74-V350 HydrophobicContact CG1-CG1 4.23Å
75	D	98.3	Very high	96.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	131.9	174.6	-66.6	-11.5	0	0	0	111.5	S45 P78 Y226 L231	S45-D75 WeakPolarHBondContact CB-OD1 3.41Å; S45-D75 PolarHBondContact OG-OD1 3.36Å; D75-P78 HydrophobicContact CB-CB 4.24Å; D75-Y226 VanDerWaalsContact CG-OH 3.3Å; D75-Y226 PolarHBondContact OD2-OH 3Å; D75-L231 PolarHBondContact OD1-N 3.28Å; D75-L231 VanDerWaalsContact OD1-N 3.14Å; D75-L231 VanDerWaalsContact OD2-CB 3.26Å; D75-L231 WeakPolarHBondContact OD2-CB 3.48Å; D75-L231 WeakPolarHBondContact OD2-CD1 3.35Å; D75-L231 WeakPolarHBondContact OD2-CG 3.21Å; D75-L231 PolarHBondContact OD2-N 2.9Å
76	L	97.6	Very high	96.4	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.079	14%	0.143	C	C	.	.	S	Bend	trans	-73	-31.8	172.9	-63.2	177.9	0	0	0	112.4	A44 I46 L52 R55 F56 R299 I301	A44-L76 WeakPolarHBondContact O-CG 3.06Å; A44-L76 PolarHBondContact O-N 3.4Å; I46-L76 HydrophobicContact CD1-CD1 4.11Å; I46-L76 HydrophobicContact CD1-CG 4.39Å; I46-L76 HydrophobicContact CG1-CD1 4.17Å; I46-L76 HydrophobicContact CG1-CD2 3.9Å; I46-L76 HydrophobicContact CG1-CG 3.94Å; L52-L76 HydrophobicContact CD1-CD2 4.22Å; R55-L76 VanDerWaalsContact CZ-CD1 3.5Å; F56-L76 HydrophobicContact CE2-CD2 4.03Å; F56-L76 HydrophobicContact CZ-CD2 4.32Å; L76-R299 WeakPolarHBondContact O-CD 3.31Å; L76-I301 HydrophobicContact CD2-CD1 4.3Å
77	I	97.2	Very high	96.2	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.051	14%	0.144	C	C	.	.	S	Bend	trans	-133	77.8	179.6	-50.9	-178.8	0	0	0	108.7	E42 L231 Y404	E42-I77 HydrophobicContact CB-CD1 4.2Å; E42-I77 WeakPolarHBondContact O-CD1 3.27Å; I77-L231 WeakPolarHBondContact O-CD1 3.32Å; I77-Y404 HydrophobicContact CD1-CD2 4.03Å; I77-Y404 HydrophobicContact CD1-CG 4.36Å
78	P	92.4	Very high	96	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.032	13%	0.126	C	C	.	.			trans	-69.2	135.7	177.8	34.3	-42.6	0	0	0	111.1	D75 C335 I337 I352	D75-P78 HydrophobicContact CB-CB 4.24Å; P78-C335 WeakPolarHBondContact CB-SG 3.2Å; P78-C335 WeakPolarHBondContact CG-SG 3.43Å; P78-I337 HydrophobicContact CB-CD1 4.45Å; P78-I352 HydrophobicContact CB-CD1 3.86Å; P78-I352 HydrophobicContact CG-CB 3.66Å; P78-I352 HydrophobicContact CG-CD1 3.39Å; P78-I352 HydrophobicContact CG-CG1 4.05Å; P78-I352 HydrophobicContact CG-CG2 3.57Å
79	K	96.9	Very high	95.6	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	12%	0.118	C	C	.	.			trans	-144.9	138.1	176.2	-73.5	177.8	-179.7	-71	0	108.8	L231 D405 T407 T408 H409 F410	K79-L231 HydrophobicContact CB-CD1 4.38Å; K79-D405 PolarHBondContact NZ-O 3.5Å; K79-D405 IonicContact NZ-OD1 3.5Å; K79-D405 PolarHBondContact NZ-OD1 3.34Å; K79-T407 PolarHBondContact NZ-O 3.4Å; K79-T407 PolarHBondContact NZ-OG1 3Å; K79-T408 CarbonylContact C-O 3.58Å; K79-T408 WeakPolarHBondContact CA-O 3.49Å; K79-H409 WeakPolarHBondContact CD-O 3.39Å; K79-H409 PolarHBondContact NZ-O 3Å; K79-F410 HydrophobicContact CB-CD1 3.94Å; K79-F410 HydrophobicContact CB-CD2 3.7Å; K79-F410 HydrophobicContact CB-CE1 3.67Å; K79-F410 HydrophobicContact CB-CE2 3.45Å; K79-F410 VanDerWaalsContact CB-CE2 3.45Å; K79-F410 HydrophobicContact CB-CG 3.96Å; K79-F410 HydrophobicContact CB-CZ 3.46Å; K79-F410 VanDerWaalsContact CB-CZ 3.46Å; K79-F410 HydrophobicContact CD-CD1 3.6Å; K79-F410 HydrophobicContact CD-CE1 3.56Å; K79-F410 HydrophobicContact CD-CG 4.27Å; K79-F410 HydrophobicContact CD-CZ 4.25Å; K79-F410 HydrophobicContact CG-CD1 4.42Å; K79-F410 HydrophobicContact CG-CE1 4.21Å; K79-F410 HydrophobicContact CG-CZ 4.41Å; K79-F410 WeakPolarHBondContact O-CE2 3.42Å
80	F	97.7	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-89.3	148.4	175.3	-65.5	-34	0	0	0	112	I105 Y224 Y226 Q318 C335 I337 T408 H409 F410	F80-I105 HydrophobicContact CD1-CD1 3.83Å; F80-I105 HydrophobicContact CD1-CG1 3.8Å; F80-I105 HydrophobicContact CD2-CG1 4.29Å; F80-I105 HydrophobicContact CE1-CD1 3.32Å; F80-I105 HydrophobicContact CE1-CG1 3.73Å; F80-I105 HydrophobicContact CE2-CD1 4.41Å; F80-I105 HydrophobicContact CE2-CG1 4.2Å; F80-I105 HydrophobicContact CE2-CG2 4.12Å; F80-I105 HydrophobicContact CG-CG1 4.1Å; F80-I105 HydrophobicContact CZ-CD1 3.65Å; F80-I105 HydrophobicContact CZ-CG1 3.92Å; F80-I105 HydrophobicContact CZ-CG2 4.18Å; F80-Y224 HydrophobicContact CB-CD1 3.89Å; F80-Y224 HydrophobicContact CB-CG 3.99Å; F80-Y224 HydrophobicContact CD2-CD2 4.36Å; F80-Y224 HydrophobicContact CD2-CG 4.18Å; F80-Y224 HydrophobicContact CG-CG 4.4Å; F80-Y226 AromaticContact CD1-CD2 3.69Å; F80-Y226 HydrophobicContact CD1-CD2 3.69Å; F80-Y226 HydrophobicContact CD1-CG 4.16Å; F80-Y226 AromaticContact CE1-CD2 3.87Å; F80-Y226 HydrophobicContact CE1-CD2 3.87Å; F80-Y226 HydrophobicContact CE1-CG 4.16Å; F80-Q318 HydrophobicContact CD2-CB 4.14Å; F80-Q318 HydrophobicContact CE2-CB 3.92Å; F80-C335 HydrophobicContact CD2-CB 4.42Å; F80-C335 HydrophobicContact CE1-CB 4.33Å; F80-C335 HydrophobicContact CE2-CB 3.65Å; F80-C335 HydrophobicContact CZ-CB 3.6Å; F80-I337 HydrophobicContact CE1-CG2 3.82Å; F80-I337 HydrophobicContact CZ-CG2 4.2Å; F80-T408 PolarHBondContact N-O 3.46Å; F80-H409 VanDerWaalsContact O-CA 3.26Å; F80-H409 WeakPolarHBondContact O-CA 3.31Å; F80-F410 WeakPolarHBondContact O-CD2 3.35Å; F80-F410 PolarHBondContact O-N 2.79Å
81	L	97.3	Very high	94.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.9	175.6	-61.7	84.8	0	0	0	108.6	A83 L87 V88 L91 F102 Y224 L225 L231 F410	L81-A83 PolarHBondContact O-N 2.9Å; L81-L87 HydrophobicContact CD2-CD2 3.73Å; L81-L87 HydrophobicContact CD2-CG 4Å; L81-L87 HydrophobicContact CG-CD2 3.82Å; L81-V88 HydrophobicContact CB-CG2 3.97Å; L81-V88 HydrophobicContact CD2-CG2 4.16Å; L81-L91 HydrophobicContact CD2-CD1 3.59Å; L81-F102 HydrophobicContact CD1-CE1 4.02Å; 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 3.58Å; L81-Y224 WeakPolarHBondContact O-CA 3.48Å; L81-L225 HydrophobicContact CB-CB 4.22Å; L81-L225 WeakPolarHBondContact CD1-O 3.45Å; L81-L225 PolarHBondContact N-O 3.33Å; L81-L225 PolarHBondContact O-N 3.29Å; L81-L231 HydrophobicContact CD1-CD2 4.33Å; L81-F410 HydrophobicContact CD1-CD2 4.25Å; L81-F410 HydrophobicContact CD1-CE2 3.99Å; L81-F410 HydrophobicContact CG-CD2 3.95Å; L81-F410 HydrophobicContact CG-CE2 4.16Å
82	M	95.9	Very high	94.4	Very high	18 Å²	18	18.4 Å²	18.4	9%	0.089	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.4	168.7	-177.3	67.4	75.7	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 3.2Å; M82-G85 WeakPolarHBondContact O-CA 3.23Å; M82-G85 PolarHBondContact O-N 2.79Å; M82-V88 VanDerWaalsContact O-CG2 3.23Å; M82-V88 WeakPolarHBondContact O-CG2 3.3Å; M82-L191 HydrophobicContact CE-CD1 3.41Å; M82-L191 VanDerWaalsContact CE-CD1 3.41Å; M82-L211 HydrophobicContact CG-CD1 4.28Å; M82-L211 HydrophobicContact CG-CD2 4.12Å; M82-L211 HydrophobicContact CG-CG 3.98Å; M82-Y212 HydrophobicContact CE-CD2 4.14Å; M82-S215 WeakPolarHBondContact CG-OG 3.43Å; M82-S215 VanDerWaalsContact SD-CB 3.54Å; M82-S215 PolarHBondContact SD-OG 2.92Å; M82-S215 VanDerWaalsContact SD-OG 3.41Å; M82-P223 HydrophobicContact SD-CB 3.66Å; M82-P223 HydrophobicContact SD-CG 4.15Å; M82-Y224 HydrophobicContact CE-CE1 3.92Å; M82-Y224 HydrophobicContact SD-CE1 4.41Å
83	A	95.1	Very high	93.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38.7	-170.6	0	0	0	0	0	114.8	L81 Y219 P223 L225	L81-A83 PolarHBondContact O-N 2.9Å; A83-Y219 HydrophobicContact CB-CD2 3.63Å; A83-Y219 HydrophobicContact CB-CE2 3.4Å; A83-P223 WeakPolarHBondContact CB-O 3.21Å; A83-P223 PolarHBondContact N-O 3.44Å; A83-L225 HydrophobicContact CB-CD1 4.43Å; A83-L225 HydrophobicContact CB-CG 4.38Å
84	N	92.9	Very high	93	Very high	41 Å²	41	18 Å²	18	22%	0.219	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	11.9	174.1	-63.7	-9.8	0	0	0	112.2	M82 L211 E214 S215 R218	M82-N84 VanDerWaalsContact C-N 3.3Å; M82-N84 PolarHBondContact O-N 3.2Å; N84-L211 HydrophobicContact CB-CD1 3.74Å; N84-L211 WeakPolarHBondContact O-CD1 3.49Å; N84-E214 PolarHBondContact ND2-O 2.95Å; N84-S215 WeakPolarHBondContact CB-OG 3.32Å; N84-S215 PolarHBondContact N-OG 2.88Å; N84-R218 WeakPolarHBondContact OD1-CD 3.43Å; N84-R218 PolarHBondContact OD1-NE 3.26Å; N84-R218 PolarHBondContact OD1-NH1 3.05Å
85	G	92.1	Very high	92.4	Very high	3 Å²	3	19.1 Å²	19.1	3%	0.031	9%	0.093	C	C	.	.	S	Bend	trans	-74.9	170.2	-175.7	0	0	0	0	0	113.8	M82 L87 V88 R89	M82-G85 WeakPolarHBondContact O-CA 3.23Å; M82-G85 PolarHBondContact O-N 2.79Å; G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 3.06Å; G85-V88 PolarHBondContact O-N 2.64Å; G85-R89 PolarHBondContact O-N 3.25Å
86	Q	91.1	Very high	91.9	Very high	38 Å²	38	19 Å²	19	18%	0.178	9%	0.092	C	C	.	.	H	α-helix	trans	-59.4	-41.4	-174.3	-57.2	-174	37	0	0	112.3	V88 R89 M90 E411 C414 F431	Q86-V88 PolarHBondContact O-N 3.31Å; Q86-R89 WeakPolarHBondContact O-CB 3.27Å; Q86-R89 PolarHBondContact O-N 3.02Å; Q86-M90 WeakPolarHBondContact O-CG 3.42Å; Q86-M90 PolarHBondContact O-N 3.18Å; Q86-E411 PolarHBondContact NE2-OE1 3.02Å; Q86-C414 HydrophobicContact CB-CB 3.99Å; Q86-F431 HydrophobicContact CB-CZ 4.06Å
87	L	92.5	Very high	91.5	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-49.4	178.6	-175.3	54.3	0	0	0	111.9	L14 I18 L81 G85 R89 M90 L91 F410 C414	L14-L87 HydrophobicContact CD2-CD2 4.33Å; I18-L87 HydrophobicContact CD1-CD1 3.43Å; I18-L87 VanDerWaalsContact CD1-CD1 3.43Å; L81-L87 HydrophobicContact CD2-CD2 3.73Å; L81-L87 HydrophobicContact CD2-CG 4Å; L81-L87 HydrophobicContact CG-CD2 3.82Å; G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 3.06Å; L87-R89 PolarHBondContact O-N 2.98Å; L87-M90 WeakPolarHBondContact O-CA 3.38Å; L87-M90 WeakPolarHBondContact O-CB 3.17Å; L87-M90 PolarHBondContact O-N 3.41Å; L87-L91 HydrophobicContact CD1-CD2 4.37Å; L87-L91 HydrophobicContact CD1-CG 4.36Å; L87-L91 HydrophobicContact CG-CD1 4.42Å; L87-L91 HydrophobicContact CG-CG 4.4Å; L87-L91 WeakPolarHBondContact O-CG 3.36Å; L87-L91 PolarHBondContact O-N 3.05Å; L87-F410 HydrophobicContact CB-CB 4.4Å; L87-F410 HydrophobicContact CD2-CB 3.52Å; L87-F410 HydrophobicContact CD2-CD1 4.06Å; L87-F410 HydrophobicContact CD2-CD2 3.36Å; L87-F410 HydrophobicContact CD2-CE2 3.97Å; L87-F410 HydrophobicContact CD2-CG 3.38Å; L87-C414 VanDerWaalsContact CB-SG 3.52Å; L87-C414 PolarHBondContact N-SG 3.16Å; L87-C414 VanDerWaalsContact N-SG 3.45Å
88	V	92.9	Very high	91.1	Very high	16 Å²	16	28.1 Å²	28.1	10%	0.097	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-39.4	-179.9	175.5	0	0	0	0	110.5	L81 M82 G85 Q86 L91 L92 L225	L81-V88 HydrophobicContact CB-CG2 3.97Å; L81-V88 HydrophobicContact CD2-CG2 4.16Å; M82-V88 VanDerWaalsContact O-CG2 3.23Å; M82-V88 WeakPolarHBondContact O-CG2 3.3Å; G85-V88 PolarHBondContact O-N 2.64Å; Q86-V88 PolarHBondContact O-N 3.31Å; V88-L91 PolarHBondContact O-N 3.39Å; V88-L92 HydrophobicContact CG1-CD1 4.11Å; V88-L92 HydrophobicContact CG1-CG 4.49Å; V88-L92 VanDerWaalsContact O-CG 3.32Å; V88-L92 WeakPolarHBondContact O-CG 3.42Å; V88-L92 PolarHBondContact O-N 3.33Å; V88-L225 HydrophobicContact CG2-CD1 4.41Å
89	R	90.4	Very high	90.9	Very high	105 Å²	105	30.7 Å²	30.7	40%	0.396	14%	0.139	S	C	.	.	H	α-helix	trans	-62	-44.1	173.8	-62.3	-170.7	74.9	-177	1.7	111.9	G85 Q86 L87 L91 L92 I93 F431 E435	G85-R89 PolarHBondContact O-N 3.25Å; Q86-R89 WeakPolarHBondContact O-CB 3.27Å; Q86-R89 PolarHBondContact O-N 3.02Å; L87-R89 PolarHBondContact O-N 2.98Å; R89-L91 VanDerWaalsContact C-N 3.35Å; R89-L91 PolarHBondContact O-N 2.81Å; R89-L92 PolarHBondContact O-N 3.35Å; R89-I93 VanDerWaalsContact O-CG1 3.3Å; R89-I93 WeakPolarHBondContact O-CG1 3.03Å; R89-I93 PolarHBondContact O-N 3.02Å; R89-F431 HydrophobicContact CB-CD1 3.73Å; R89-F431 HydrophobicContact CB-CE1 3.62Å; R89-E435 IonicContact CZ-OE1 3.7Å; R89-E435 IonicContact NE-OE1 3.16Å; R89-E435 IonicContact NH2-OE1 3.4Å; R89-E435 PolarHBondContact NH2-OE1 3.37Å; R89-E435 VanDerWaalsContact NH2-OE1 3.1Å
90	M	88.9	Confident	90.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-43.8	174.9	-66	-179.6	-176.5	0	0	111.6	I18 Q86 L87 L92 I93 T94 I417 K418 F429 F431	I18-M90 HydrophobicContact CG2-SD 4.14Å; Q86-M90 WeakPolarHBondContact O-CG 3.42Å; Q86-M90 PolarHBondContact O-N 3.18Å; L87-M90 WeakPolarHBondContact O-CA 3.38Å; L87-M90 WeakPolarHBondContact O-CB 3.17Å; L87-M90 PolarHBondContact O-N 3.41Å; M90-L92 VanDerWaalsContact C-N 3.34Å; M90-L92 PolarHBondContact O-N 3.04Å; M90-I93 PolarHBondContact O-N 3.05Å; M90-T94 VanDerWaalsContact O-CG2 3.32Å; M90-T94 WeakPolarHBondContact O-CG2 3.27Å; M90-T94 PolarHBondContact O-N 3.07Å; M90-T94 PolarHBondContact O-OG1 3.02Å; M90-T94 VanDerWaalsContact O-OG1 3.12Å; M90-I417 HydrophobicContact CE-CG2 4.03Å; M90-I417 HydrophobicContact SD-CD1 4.5Å; M90-I417 HydrophobicContact SD-CG2 3.95Å; M90-K418 HydrophobicContact CE-CD 4.09Å; M90-K418 HydrophobicContact CE-CG 3.73Å; M90-F429 HydrophobicContact CE-CD1 4.48Å; M90-F429 HydrophobicContact CE-CE1 4.2Å; M90-F429 HydrophobicContact CE-CE2 4.48Å; M90-F429 HydrophobicContact CE-CZ 4.19Å; M90-F429 HydrophobicContact CG-CE1 4.3Å; M90-F429 HydrophobicContact CG-CZ 4.05Å; M90-F431 HydrophobicContact CE-CE1 4.45Å; M90-F431 HydrophobicContact CE-CZ 3.89Å; M90-F431 HydrophobicContact CG-CE1 3.67Å; M90-F431 HydrophobicContact CG-CZ 4.06Å
91	L	90.4	Very high	90.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-39	178.2	-60.2	179.3	0	0	0	112.5	L81 L87 V88 R89 T94 Q95 V96 T97 F102 L234 F238	L81-L91 HydrophobicContact CD2-CD1 3.59Å; L87-L91 HydrophobicContact CD1-CD2 4.37Å; L87-L91 HydrophobicContact CD1-CG 4.36Å; L87-L91 HydrophobicContact CG-CD1 4.42Å; L87-L91 HydrophobicContact CG-CG 4.4Å; L87-L91 WeakPolarHBondContact O-CG 3.36Å; L87-L91 PolarHBondContact O-N 3.05Å; V88-L91 PolarHBondContact O-N 3.39Å; R89-L91 VanDerWaalsContact C-N 3.35Å; R89-L91 PolarHBondContact O-N 2.81Å; L91-T94 PolarHBondContact O-OG1 3.44Å; L91-Q95 PolarHBondContact O-N 3.09Å; L91-Q95 VanDerWaalsContact O-N 3.17Å; L91-V96 HydrophobicContact CB-CG1 3.84Å; L91-V96 HydrophobicContact CD2-CG1 3.46Å; L91-V96 VanDerWaalsContact CD2-CG1 3.46Å; L91-V96 HydrophobicContact CG-CG1 4.21Å; L91-V96 PolarHBondContact O-N 3.21Å; L91-T97 HydrophobicContact CB-CG2 3.72Å; L91-F102 HydrophobicContact CD1-CE2 4.37Å; L91-F102 HydrophobicContact CD1-CZ 3.7Å; L91-L234 HydrophobicContact CD1-CD2 3.93Å; L91-L234 HydrophobicContact CD2-CD2 3.96Å; L91-F238 HydrophobicContact CD2-CE2 3.52Å; L91-F238 HydrophobicContact CD2-CZ 3.66Å
92	L	88.1	Confident	90.7	Very high	92 Å²	92	39.6 Å²	39.6	48%	0.482	18%	0.184	S	C	.	.	H	α-helix	trans	-67	-42.1	177.5	-73.7	168.3	0	0	0	111.8	V88 R89 M90 Q95 T97	V88-L92 HydrophobicContact CG1-CD1 4.11Å; V88-L92 HydrophobicContact CG1-CG 4.49Å; V88-L92 VanDerWaalsContact O-CG 3.32Å; V88-L92 WeakPolarHBondContact O-CG 3.42Å; V88-L92 PolarHBondContact O-N 3.33Å; R89-L92 PolarHBondContact O-N 3.35Å; M90-L92 VanDerWaalsContact C-N 3.34Å; M90-L92 PolarHBondContact O-N 3.04Å; L92-Q95 PolarHBondContact O-N 3.21Å; L92-T97 HydrophobicContact CD2-CG2 4.07Å; L92-T97 HydrophobicContact CG-CG2 4.38Å
93	I	83.6	Confident	90.8	Very high	19 Å²	19	42.1 Å²	42.1	10%	0.097	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-44.6	178.4	-73.8	166.7	0	0	0	110.9	R89 M90 Q95 F431 M434 E435	R89-I93 VanDerWaalsContact O-CG1 3.3Å; R89-I93 WeakPolarHBondContact O-CG1 3.03Å; R89-I93 PolarHBondContact O-N 3.02Å; M90-I93 PolarHBondContact O-N 3.05Å; I93-Q95 PolarHBondContact O-N 2.98Å; I93-F431 HydrophobicContact CD1-CB 4.23Å; I93-F431 HydrophobicContact CD1-CD1 3.55Å; I93-F431 HydrophobicContact CD1-CE1 4.39Å; I93-F431 HydrophobicContact CD1-CG 4.34Å; I93-M434 HydrophobicContact CD1-CB 4.23Å; I93-M434 HydrophobicContact CG2-CB 3.5Å; I93-M434 HydrophobicContact CG2-CG 4.44Å; I93-M434 HydrophobicContact CG2-SD 4.21Å; I93-E435 HydrophobicContact CD1-CG 4.02Å; I93-E435 HydrophobicContact CG1-CG 3.76Å
94	T	82.9	Confident	90.9	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.025	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.7	179.9	63.1	0	0	0	0	112.9	I22 M90 L91 V96 F238 L241	I22-T94 HydrophobicContact CG1-CG2 4.21Å; M90-T94 VanDerWaalsContact O-CG2 3.32Å; M90-T94 WeakPolarHBondContact O-CG2 3.27Å; M90-T94 PolarHBondContact O-N 3.07Å; M90-T94 PolarHBondContact O-OG1 3.02Å; M90-T94 VanDerWaalsContact O-OG1 3.12Å; L91-T94 PolarHBondContact O-OG1 3.44Å; T94-V96 PolarHBondContact O-N 3.32Å; T94-V96 VanDerWaalsContact O-N 3.13Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.49Å; T94-F238 HydrophobicContact CG2-CE1 4.06Å; T94-L241 HydrophobicContact CG2-CD2 4.45Å; T94-L241 WeakPolarHBondContact O-CD1 3.39Å; T94-L241 VanDerWaalsContact O-CD2 3.3Å; T94-L241 WeakPolarHBondContact O-CD2 3.32Å
95	Q	85.1	Confident	91.1	Very high	25 Å²	25	41.7 Å²	41.7	12%	0.117	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	14.3	-176.3	-51.9	-175.1	4.4	0	0	114.6	L91 L92 I93 T97 R98	L91-Q95 PolarHBondContact O-N 3.09Å; L91-Q95 VanDerWaalsContact O-N 3.17Å; L92-Q95 PolarHBondContact O-N 3.21Å; I93-Q95 PolarHBondContact O-N 2.98Å; Q95-T97 PolarHBondContact O-N 3.16Å; Q95-R98 WeakPolarHBondContact O-CB 3.43Å; Q95-R98 WeakPolarHBondContact O-CG 3.37Å; Q95-R98 PolarHBondContact O-N 3.15Å
96	V	88.4	Confident	91.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-66.6	-20.5	178.1	74.5	0	0	0	0	111.9	L91 T94 R98 Y99 L100 G237 F238	L91-V96 HydrophobicContact CB-CG1 3.84Å; L91-V96 HydrophobicContact CD2-CG1 3.46Å; L91-V96 VanDerWaalsContact CD2-CG1 3.46Å; L91-V96 HydrophobicContact CG-CG1 4.21Å; L91-V96 PolarHBondContact O-N 3.21Å; T94-V96 PolarHBondContact O-N 3.32Å; T94-V96 VanDerWaalsContact O-N 3.13Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.49Å; V96-R98 PolarHBondContact O-N 2.94Å; V96-Y99 HydrophobicContact CG2-CD2 4.1Å; V96-Y99 PolarHBondContact O-N 2.69Å; V96-L100 HydrophobicContact CG1-CD1 4.06Å; V96-L100 HydrophobicContact CG2-CD1 4.29Å; V96-G237 WeakPolarHBondContact CG2-O 3.37Å; V96-F238 HydrophobicContact CB-CE1 4.43Å; V96-F238 HydrophobicContact CB-CZ 4.41Å; V96-F238 HydrophobicContact CG1-CE1 4.3Å; V96-F238 HydrophobicContact CG1-CE2 4.03Å; V96-F238 HydrophobicContact CG1-CZ 3.82Å; V96-F238 HydrophobicContact CG2-CD2 4.33Å; V96-F238 HydrophobicContact CG2-CE2 4.49Å; V96-F238 HydrophobicContact CG2-CG 4.33Å
97	T	89.6	Confident	91.6	Very high	43 Å²	43	42.1 Å²	42.1	26%	0.264	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-57.8	-17.3	173.7	57.1	0	0	0	0	113.6	L91 L92 Q95 Y99 L100 F102	L91-T97 HydrophobicContact CB-CG2 3.72Å; L92-T97 HydrophobicContact CD2-CG2 4.07Å; L92-T97 HydrophobicContact CG-CG2 4.38Å; Q95-T97 PolarHBondContact O-N 3.16Å; T97-Y99 PolarHBondContact O-N 2.83Å; T97-L100 PolarHBondContact O-N 3.03Å; T97-L100 VanDerWaalsContact O-O 3.12Å; T97-F102 HydrophobicContact CG2-CE2 4.45Å
98	R	89.3	Confident	91.8	Very high	173 Å²	173	42 Å²	42	65%	0.653	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-65.4	-16	172.1	-66.9	177.1	175.9	176.8	0.9	113.5	Q95 V96	Q95-R98 WeakPolarHBondContact O-CB 3.43Å; Q95-R98 WeakPolarHBondContact O-CG 3.37Å; Q95-R98 PolarHBondContact O-N 3.15Å; V96-R98 PolarHBondContact O-N 2.94Å
99	Y	88.6	Confident	92	Very high	59 Å²	59	41.9 Å²	41.9	23%	0.231	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-110.9	4.4	-178.6	-47	-52	0	0	0	112.5	V96 T97 R240 I244	V96-Y99 HydrophobicContact CG2-CD2 4.1Å; V96-Y99 PolarHBondContact O-N 2.69Å; T97-Y99 PolarHBondContact O-N 2.83Å; Y99-R240 HydrophobicContact CE1-CG 4.46Å; Y99-R240 VanDerWaalsContact CE1-CZ 3.45Å; Y99-R240 HydrophobicContact CE2-CB 4.48Å; Y99-R240 HydrophobicContact CE2-CG 4.2Å; Y99-I244 WeakPolarHBondContact OH-CD1 3.39Å
100	L	94	Very high	92.4	Very high	10 Å²	10	37 Å²	37	5%	0.052	18%	0.175	C	C	.	.			trans	-132.5	126	-168.8	-59.5	169.4	0	0	0	109.9	V96 T97 F102 E233 L234	V96-L100 HydrophobicContact CG1-CD1 4.06Å; V96-L100 HydrophobicContact CG2-CD1 4.29Å; T97-L100 PolarHBondContact O-N 3.03Å; T97-L100 VanDerWaalsContact O-O 3.12Å; L100-F102 HydrophobicContact CB-CD2 4.26Å; L100-F102 HydrophobicContact CB-CE2 3.56Å; L100-F102 HydrophobicContact CB-CZ 3.99Å; L100-F102 HydrophobicContact CD1-CE2 4.04Å; L100-F102 HydrophobicContact CD1-CZ 3.88Å; L100-F102 HydrophobicContact CG-CE2 4.46Å; L100-E233 HydrophobicContact CD2-CB 3.65Å; L100-E233 WeakPolarHBondContact CD2-O 3.34Å; L100-L234 HydrophobicContact CD1-CD2 3.59Å; L100-L234 HydrophobicContact CD2-CD2 4.48Å
101	D	95.9	Very high	92.7	Very high	115 Å²	115	38.4 Å²	38.4	62%	0.615	18%	0.18	S	C	*	.			trans	-99.9	123	169.6	-72.6	-48.7	0	0	0	109.5	P227 L228	D101-P227 CarbonylContact O-C 3.57Å; D101-P227 WeakPolarHBondContact O-CA 3.44Å; D101-L228 HydrophobicContact CB-CB 4.38Å; D101-L228 HydrophobicContact CB-CD1 3.8Å; D101-L228 HydrophobicContact CB-CG 4.13Å; D101-L228 PolarHBondContact O-N 3.4Å
102	F	96.6	Very high	92.9	Very high	62 Å²	62	39.8 Å²	39.8	27%	0.272	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.1	179.2	-69.6	-83.6	0	0	0	111.6	L81 L91 T97 L100 L225 P227 L234	L81-F102 HydrophobicContact CD1-CE1 4.02Å; 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 4.37Å; L91-F102 HydrophobicContact CD1-CZ 3.7Å; T97-F102 HydrophobicContact CG2-CE2 4.45Å; L100-F102 HydrophobicContact CB-CD2 4.26Å; L100-F102 HydrophobicContact CB-CE2 3.56Å; L100-F102 HydrophobicContact CB-CZ 3.99Å; L100-F102 HydrophobicContact CD1-CE2 4.04Å; L100-F102 HydrophobicContact CD1-CZ 3.88Å; L100-F102 HydrophobicContact CG-CE2 4.46Å; F102-L225 HydrophobicContact CB-CB 4.43Å; F102-L225 HydrophobicContact CD1-CB 4.22Å; F102-P227 HydrophobicContact CD1-CB 4.27Å; F102-P227 HydrophobicContact CE1-CB 4.06Å; F102-P227 HydrophobicContact CE1-CG 4.45Å; F102-L234 HydrophobicContact CZ-CD2 4.33Å
103	K	97.4	Very high	93	Very high	72 Å²	72	43 Å²	43	31%	0.313	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142	170.9	-169.6	178.5	176.8	82.1	0	110	L225 Y226 L228 T340	K103-L225 WeakPolarHBondContact O-CA 3.5Å; K103-Y226 PolarHBondContact N-O 3.48Å; K103-Y226 PolarHBondContact O-N 2.85Å; K103-L228 HydrophobicContact CB-CD2 3.97Å; K103-L228 HydrophobicContact CD-CD2 4.18Å; K103-T340 WeakPolarHBondContact CD-O 3.23Å
104	V	97.7	Very high	93.3	Very high	31 Å²	31	44 Å²	44	19%	0.188	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.8	175.7	-177.1	0	0	0	0	109.3	Y219 K221 L225	V104-Y219 HydrophobicContact CG1-CG 4.35Å; V104-Y219 HydrophobicContact CG2-CD1 3.49Å; V104-Y219 VanDerWaalsContact CG2-CD1 3.49Å; V104-Y219 HydrophobicContact CG2-CD2 4.2Å; V104-Y219 HydrophobicContact CG2-CE1 4.14Å; V104-Y219 HydrophobicContact CG2-CG 3.53Å; V104-K221 HydrophobicContact CG1-CB 4.11Å; V104-L225 HydrophobicContact CB-CD2 4.4Å; V104-L225 HydrophobicContact CG2-CD2 3.77Å
105	I	98.1	Very high	93.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.			trans	-68.9	137.3	173.3	-59.7	-61.1	0	0	0	109.7	F80 G107 S222 Y224 Y226 S316 I337	F80-I105 HydrophobicContact CD1-CD1 3.83Å; F80-I105 HydrophobicContact CD1-CG1 3.8Å; F80-I105 HydrophobicContact CD2-CG1 4.29Å; F80-I105 HydrophobicContact CE1-CD1 3.32Å; F80-I105 HydrophobicContact CE1-CG1 3.73Å; F80-I105 HydrophobicContact CE2-CD1 4.41Å; F80-I105 HydrophobicContact CE2-CG1 4.2Å; F80-I105 HydrophobicContact CE2-CG2 4.12Å; F80-I105 HydrophobicContact CG-CG1 4.1Å; F80-I105 HydrophobicContact CZ-CD1 3.65Å; F80-I105 HydrophobicContact CZ-CG1 3.92Å; F80-I105 HydrophobicContact CZ-CG2 4.18Å; I105-G107 PolarHBondContact O-N 2.97Å; I105-S222 WeakPolarHBondContact CB-OG 3.34Å; I105-S222 VanDerWaalsContact O-CB 3.24Å; I105-S222 WeakPolarHBondContact O-CB 3.23Å; I105-S222 PolarHBondContact O-OG 2.86Å; I105-Y224 PolarHBondContact N-O 3.26Å; I105-Y226 HydrophobicContact CD1-CG 4.49Å; I105-S316 WeakPolarHBondContact CA-OG 3.14Å; I105-I337 HydrophobicContact CD1-CG2 4.12Å
106	E	97.4	Very high	94.4	Very high	48 Å²	48	45.1 Å²	45.1	22%	0.224	22%	0.222	C	C	.	.	S	Bend	trans	-78.4	-23.7	-166.7	-63.3	-169.4	156.7	0	0	114.6	K221 A314 N315 S316	E106-K221 HydrophobicContact CG-CD 4.34Å; E106-K221 IonicContact OE1-NZ 2.88Å; E106-A314 HydrophobicContact CB-CB 4.2Å; E106-N315 WeakPolarHBondContact OE2-CB 3.35Å; E106-N315 PolarHBondContact OE2-N 2.81Å; E106-N315 PolarHBondContact OE2-ND2 3.08Å; E106-N315 VanDerWaalsContact OE2-ND2 3.07Å; E106-S316 WeakPolarHBondContact CB-O 3.22Å; E106-S316 PolarHBondContact N-O 2.96Å; E106-S316 PolarHBondContact N-OG 2.99Å
107	G	95.3	Very high	94.8	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	156.1	179.7	0	0	0	0	0	114.9	I105 S316 C317 Q318	I105-G107 PolarHBondContact O-N 2.97Å; G107-S316 PolarHBondContact N-O 2.93Å; G107-C317 CarbonylContact O-C 3.45Å; G107-C317 WeakPolarHBondContact O-CA 3.36Å; G107-C317 WeakPolarHBondContact O-CB 3.02Å; G107-Q318 PolarHBondContact O-N 3.3Å
108	S	97.1	Very high	95	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.8	171.9	-177.4	0	0	0	0	108.3	K118 V119 Y212 Q318	S108-K118 WeakPolarHBondContact O-CA 3.41Å; S108-V119 PolarHBondContact O-N 3.28Å; S108-Y212 VanDerWaalsContact CB-OH 3.28Å; S108-Y212 WeakPolarHBondContact CB-OH 3.36Å; S108-Y212 PolarHBondContact OG-OH 3.04Å; S108-Q318 CarbonylContact C-O 3.57Å
109	F	97.5	Very high	95.3	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.057	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.7	-171.3	-56.7	-91.8	0	0	0	111	I116 Y117 K118 T311 C317 Q318 I319 I320	F109-I116 HydrophobicContact CB-CB 4.32Å; F109-I116 HydrophobicContact CB-CD1 4.49Å; F109-I116 HydrophobicContact CD1-CD1 4.48Å; F109-I116 HydrophobicContact CG-CD1 4.42Å; F109-Y117 CarbonylContact C-O 3.38Å; F109-Y117 WeakPolarHBondContact CA-O 3.34Å; F109-K118 HydrophobicContact CD1-CB 4.34Å; F109-K118 HydrophobicContact CE1-CB 4.28Å; F109-T311 HydrophobicContact CD2-CG2 4.18Å; F109-T311 HydrophobicContact CE1-CG2 4.38Å; F109-T311 HydrophobicContact CE2-CG2 3.82Å; F109-T311 HydrophobicContact CZ-CG2 3.95Å; F109-C317 HydrophobicContact CD2-CB 3.78Å; F109-C317 HydrophobicContact CE2-CB 3.58Å; F109-Q318 PolarHBondContact N-O 3.15Å; F109-I319 HydrophobicContact CB-CG1 4.19Å; F109-I319 VanDerWaalsContact O-CA 3.32Å; F109-I319 WeakPolarHBondContact O-CA 3.44Å; F109-I320 PolarHBondContact O-N 3.39Å
110	V	97.5	Very high	95.3	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.9	173.1	62.8	0	0	0	0	109.7	I116 Y117 V119 L131 F184 S188 I320 P322	V110-I116 CarbonylContact O-C 3.54Å; V110-I116 WeakPolarHBondContact O-CA 3.44Å; V110-Y117 PolarHBondContact N-O 3.03Å; V110-Y117 PolarHBondContact O-N 3Å; V110-V119 HydrophobicContact CB-CG2 3.99Å; V110-V119 HydrophobicContact CG1-CG2 4.12Å; V110-L131 HydrophobicContact CG1-CD1 3.58Å; V110-L131 HydrophobicContact CG1-CD2 4.06Å; V110-L131 HydrophobicContact CG1-CG 4.45Å; V110-F184 HydrophobicContact CB-CB 4.4Å; V110-F184 HydrophobicContact CG1-CB 4.05Å; V110-F184 HydrophobicContact CG2-CB 3.89Å; V110-S188 VanDerWaalsContact CG2-OG 3.28Å; V110-S188 WeakPolarHBondContact CG2-OG 3.38Å; V110-I320 CarbonylContact C-O 3.54Å; V110-I320 WeakPolarHBondContact CA-O 3.3Å; V110-P322 HydrophobicContact CG2-CG 3.78Å
111	Y	97.1	Very high	94.7	Very high	31 Å²	31	39.8 Å²	39.8	12%	0.122	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.7	175	-179.7	-84.3	0	0	0	111.4	G114 S115 I116 I320 I321 Q325 V326 L372	Y111-G114 VanDerWaalsContact CZ-CA 3.42Å; Y111-G114 WeakPolarHBondContact OH-CA 3.26Å; Y111-G114 PolarHBondContact OH-N 3.32Å; Y111-S115 CarbonylContact C-O 3.58Å; Y111-S115 WeakPolarHBondContact CA-O 3.23Å; Y111-I116 HydrophobicContact CD2-CG2 4.27Å; Y111-I320 PolarHBondContact N-O 3.24Å; Y111-I321 HydrophobicContact CD1-CG2 3.82Å; Y111-I321 HydrophobicContact CD2-CD1 4.42Å; Y111-I321 HydrophobicContact CE1-CG2 4.41Å; Y111-I321 HydrophobicContact CG-CG1 4.27Å; Y111-I321 HydrophobicContact CG-CG2 3.92Å; Y111-Q325 HydrophobicContact CD1-CB 3.92Å; Y111-Q325 HydrophobicContact CE1-CB 4.23Å; Y111-V326 HydrophobicContact CE1-CG1 4.16Å; Y111-L372 HydrophobicContact CD2-CD1 4.09Å; Y111-L372 HydrophobicContact CD2-CD2 4.42Å; Y111-L372 HydrophobicContact CE2-CD2 4.36Å
112	K	93.7	Very high	94.1	Very high	29 Å²	29	37.1 Å²	37.1	13%	0.126	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	122	172.1	-179.7	173.8	-179.5	165.3	0	109.1	G114 S115 Y117 L131 D180	K112-G114 PolarHBondContact O-N 2.88Å; K112-S115 PolarHBondContact N-O 3.5Å; K112-S115 PolarHBondContact O-N 3.41Å; K112-S115 VanDerWaalsContact O-N 3.12Å; K112-S115 VanDerWaalsContact O-O 3.14Å; K112-Y117 HydrophobicContact CB-CD2 4.07Å; K112-Y117 HydrophobicContact CB-CE2 3.92Å; K112-L131 HydrophobicContact CB-CD2 4.09Å; K112-L131 HydrophobicContact CD-CD2 3.82Å; K112-L131 PolarHBondContact NZ-O 3.03Å; K112-D180 WeakPolarHBondContact CE-OD2 3.44Å; K112-D180 IonicContact NZ-OD2 2.81Å; K112-D180 PolarHBondContact NZ-OD2 3.47Å
113	K	89.4	Confident	93.6	Very high	159 Å²	159	38 Å²	38	69%	0.691	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	48	172.8	-57.6	-179.4	-178.6	177.1	0	114.5
114	G	91.5	Very high	93	Very high	42 Å²	42	39.9 Å²	39.9	43%	0.433	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-3.7	176.3	0	0	0	0	0	115.8	Y111 K112	Y111-G114 VanDerWaalsContact CZ-CA 3.42Å; Y111-G114 WeakPolarHBondContact OH-CA 3.26Å; Y111-G114 PolarHBondContact OH-N 3.32Å; K112-G114 PolarHBondContact O-N 2.88Å
115	S	94.1	Very high	92.5	Very high	43 Å²	43	40.2 Å²	40.2	30%	0.301	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.3	179.9	-68.4	0	0	0	0	111.2	Y111 K112	Y111-S115 CarbonylContact C-O 3.58Å; Y111-S115 WeakPolarHBondContact CA-O 3.23Å; K112-S115 PolarHBondContact N-O 3.5Å; K112-S115 PolarHBondContact O-N 3.41Å; K112-S115 VanDerWaalsContact O-N 3.12Å; K112-S115 VanDerWaalsContact O-O 3.14Å
116	I	96.8	Very high	92	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.046	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.9	173.9	62.9	172.5	0	0	0	110.7	F109 V110 Y111 I308 K309 N310 T311 I319 L372	F109-I116 HydrophobicContact CB-CB 4.32Å; F109-I116 HydrophobicContact CB-CD1 4.49Å; F109-I116 HydrophobicContact CD1-CD1 4.48Å; F109-I116 HydrophobicContact CG-CD1 4.42Å; V110-I116 CarbonylContact O-C 3.54Å; V110-I116 WeakPolarHBondContact O-CA 3.44Å; Y111-I116 HydrophobicContact CD2-CG2 4.27Å; I116-I308 HydrophobicContact CD1-CG2 4.26Å; I116-K309 WeakPolarHBondContact CD1-O 3.37Å; I116-N310 HydrophobicContact CD1-CB 4.42Å; I116-N310 HydrophobicContact CG1-CB 3.94Å; I116-T311 HydrophobicContact CD1-CG2 3.62Å; I116-I319 HydrophobicContact CD1-CD1 4.02Å; I116-I319 HydrophobicContact CG2-CG2 3.74Å; I116-L372 HydrophobicContact CG2-CD1 3.76Å; I116-L372 HydrophobicContact CG2-CD2 4.19Å
117	Y	95.6	Very high	91.6	Very high	67 Å²	67	41.9 Å²	41.9	26%	0.263	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.7	-177.9	-58.4	-93.1	0	0	0	109.9	F109 V110 K112 V119 S130 L131	F109-Y117 CarbonylContact C-O 3.38Å; F109-Y117 WeakPolarHBondContact CA-O 3.34Å; V110-Y117 PolarHBondContact N-O 3.03Å; V110-Y117 PolarHBondContact O-N 3Å; K112-Y117 HydrophobicContact CB-CD2 4.07Å; K112-Y117 HydrophobicContact CB-CE2 3.92Å; Y117-V119 PolarHBondContact O-N 3.45Å; Y117-S130 VanDerWaalsContact CD1-OG 3.25Å; Y117-S130 WeakPolarHBondContact CD1-OG 3.16Å; Y117-L131 HydrophobicContact CD1-CD2 4.31Å; Y117-L131 HydrophobicContact CD1-CG 4.44Å; Y117-L131 HydrophobicContact CD2-CD2 3.42Å; Y117-L131 VanDerWaalsContact CD2-CD2 3.42Å; Y117-L131 HydrophobicContact CD2-CG 4.32Å; Y117-L131 HydrophobicContact CE2-CD2 4.22Å; Y117-L131 HydrophobicContact CG-CD2 3.48Å; Y117-L131 VanDerWaalsContact CG-CD2 3.48Å; Y117-L131 HydrophobicContact CG-CG 3.87Å
118	K	94.9	Very high	91.3	Very high	97 Å²	97	45.5 Å²	45.5	42%	0.422	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	132.2	174.3	-173.3	179.2	178.1	-168.8	0	109.9	S108 F109 P120 E125	S108-K118 WeakPolarHBondContact O-CA 3.41Å; F109-K118 HydrophobicContact CD1-CB 4.34Å; F109-K118 HydrophobicContact CE1-CB 4.28Å; K118-P120 WeakPolarHBondContact O-CD 3.31Å; K118-E125 VanDerWaalsContact CE-OE1 3.26Å; K118-E125 WeakPolarHBondContact CE-OE1 3.38Å; K118-E125 IonicContact NZ-OE1 2.75Å; K118-E125 PolarHBondContact NZ-OE1 2.57Å
119	V	94.1	Very high	91	Very high	2 Å²	2	46 Å²	46	1%	0.012	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-68.9	117.9	177.9	179.2	0	0	0	0	109.4	S108 V110 Y117 L189	S108-V119 PolarHBondContact O-N 3.28Å; V110-V119 HydrophobicContact CB-CG2 3.99Å; V110-V119 HydrophobicContact CG1-CG2 4.12Å; Y117-V119 PolarHBondContact O-N 3.45Å; V119-L189 HydrophobicContact CG1-CD2 3.52Å; V119-L189 HydrophobicContact CG1-CG 4.04Å
120	P	89.9	Confident	90.6	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.019	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-79.7	125.7	177.3	30	-30.5	0	0	0	110.3	K118 E125 A126 L131 M132 F140 F184	K118-P120 WeakPolarHBondContact O-CD 3.31Å; P120-E125 HydrophobicContact CB-CB 4.08Å; P120-A126 HydrophobicContact CB-CB 4.46Å; P120-L131 HydrophobicContact CG-CD1 4.34Å; P120-M132 HydrophobicContact CG-CE 3.85Å; P120-F140 HydrophobicContact CB-CE1 4.41Å; P120-F140 HydrophobicContact CG-CE1 4.03Å; P120-F184 HydrophobicContact CG-CE2 3.99Å; P120-F184 HydrophobicContact CG-CZ 4.2Å
121	S	80.9	Confident	90.2	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.028	28%	0.281	C	S	.	.			trans	-135.5	2.1	-178	58.4	0	0	0	0	114.3	E125 S213 L216	S121-E125 PolarHBondContact N-OE2 3.07Å; S121-E125 PolarHBondContact OG-OE2 2.91Å; S121-S213 PolarHBondContact O-OG 2.74Å; S121-S213 VanDerWaalsContact O-OG 3.08Å; S121-L216 WeakPolarHBondContact OG-CD2 3.12Å
122	T	82.6	Confident	89.9	Confident	59 Å²	59	48.9 Å²	48.9	36%	0.362	28%	0.278	S	S	.	.	S	Bend	trans	-122.3	163	168.8	66	0	0	0	0	110.3	T124 E125 A126 L216	T122-T124 VanDerWaalsContact C-N 3.28Å; T122-T124 PolarHBondContact O-N 3.37Å; T122-E125 PolarHBondContact O-N 3.49Å; T122-E125 WeakPolarHBondContact OG1-CB 3.43Å; T122-E125 VanDerWaalsContact OG1-CG 3.3Å; T122-E125 WeakPolarHBondContact OG1-CG 3.39Å; T122-E125 PolarHBondContact OG1-N 2.92Å; T122-A126 WeakPolarHBondContact O-CB 3.44Å; T122-A126 PolarHBondContact O-N 3.1Å; T122-L216 HydrophobicContact CG2-CD2 4.26Å
123	E	86.3	Confident	89.8	Confident	79 Å²	79	49.6 Å²	49.6	37%	0.369	29%	0.294	S	S	.	.	H	α-helix	trans	-56.7	-42.5	175.7	-62.5	-176.1	-136.2	0	0	112.7	A126 L127 R141 V145	E123-A126 PolarHBondContact O-N 3.04Å; E123-L127 WeakPolarHBondContact O-CG 3.06Å; E123-L127 PolarHBondContact O-N 2.83Å; E123-L127 VanDerWaalsContact O-N 3.14Å; E123-R141 HydrophobicContact CB-CG 4.05Å; E123-R141 HydrophobicContact CG-CG 4.01Å; E123-R141 IonicContact OE2-CZ 2.94Å; E123-R141 IonicContact OE2-NE 3.93Å; E123-R141 PolarHBondContact OE2-NE 3.46Å; E123-R141 IonicContact OE2-NH2 2.91Å; E123-R141 PolarHBondContact OE2-NH2 3.19Å; E123-V145 HydrophobicContact CG-CG2 3.95Å; E123-V145 WeakPolarHBondContact OE1-CG2 3.32Å
124	T	85.9	Confident	89.8	Confident	113 Å²	113	47.3 Å²	47.3	69%	0.693	29%	0.289	S	S	*	.	H	α-helix	trans	-64.7	-45.5	179.8	-55.1	0	0	0	0	111.1	T122 L127 A128	T122-T124 VanDerWaalsContact C-N 3.28Å; T122-T124 PolarHBondContact O-N 3.37Å; T124-L127 PolarHBondContact O-N 2.93Å; T124-A128 WeakPolarHBondContact O-CB 3.19Å; T124-A128 PolarHBondContact O-N 2.93Å; T124-A128 VanDerWaalsContact O-N 3.13Å
125	E	87.8	Confident	89.8	Confident	37 Å²	37	52.3 Å²	52.3	17%	0.173	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-38.7	176.8	-70.7	179.9	153.2	0	0	112.1	K118 P120 S121 T122 L127 A128 S129	K118-E125 VanDerWaalsContact CE-OE1 3.26Å; K118-E125 WeakPolarHBondContact CE-OE1 3.38Å; K118-E125 IonicContact NZ-OE1 2.75Å; K118-E125 PolarHBondContact NZ-OE1 2.57Å; P120-E125 HydrophobicContact CB-CB 4.08Å; S121-E125 PolarHBondContact N-OE2 3.07Å; S121-E125 PolarHBondContact OG-OE2 2.91Å; T122-E125 PolarHBondContact O-N 3.49Å; T122-E125 WeakPolarHBondContact OG1-CB 3.43Å; T122-E125 VanDerWaalsContact OG1-CG 3.3Å; T122-E125 WeakPolarHBondContact OG1-CG 3.39Å; T122-E125 PolarHBondContact OG1-N 2.92Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 3.44Å; E125-A128 PolarHBondContact O-N 3.5Å; E125-S129 VanDerWaalsContact O-CB 3.3Å; E125-S129 WeakPolarHBondContact O-CB 3.35Å; E125-S129 PolarHBondContact O-N 3.34Å
126	A	87.8	Confident	89.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-41.9	177.1	0	0	0	0	0	111.9	P120 T122 E123 K137 F140 L144	P120-A126 HydrophobicContact CB-CB 4.46Å; T122-A126 WeakPolarHBondContact O-CB 3.44Å; T122-A126 PolarHBondContact O-N 3.1Å; E123-A126 PolarHBondContact O-N 3.04Å; A126-K137 WeakPolarHBondContact O-CD 3.48Å; A126-K137 WeakPolarHBondContact O-CG 3.19Å; A126-F140 HydrophobicContact CB-CD1 3.85Å; A126-F140 HydrophobicContact CB-CE1 4.3Å; A126-L144 HydrophobicContact CB-CD1 4.09Å
127	L	87.9	Confident	89.6	Confident	84 Å²	84	53 Å²	53	44%	0.44	30%	0.297	S	S	.	.	H	α-helix	trans	-71.9	-32.6	177.4	-66.9	176.4	0	0	0	112.7	E123 T124 E125 K137	E123-L127 WeakPolarHBondContact O-CG 3.06Å; E123-L127 PolarHBondContact O-N 2.83Å; E123-L127 VanDerWaalsContact O-N 3.14Å; T124-L127 PolarHBondContact O-N 2.93Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 3.44Å; L127-K137 VanDerWaalsContact O-CD 3.28Å; L127-K137 WeakPolarHBondContact O-CD 3.36Å; L127-K137 PolarHBondContact O-NZ 3.47Å
128	A	89.3	Confident	89.5	Confident	79 Å²	79	56.4 Å²	56.4	65%	0.653	31%	0.309	S	S	*	.	H	α-helix	trans	-79.3	-27.2	177.9	0	0	0	0	0	113.7	T124 E125	T124-A128 WeakPolarHBondContact O-CB 3.19Å; T124-A128 PolarHBondContact O-N 2.93Å; T124-A128 VanDerWaalsContact O-N 3.13Å; E125-A128 PolarHBondContact O-N 3.5Å
129	S	89.6	Confident	89.6	Confident	13 Å²	13	55.4 Å²	55.4	9%	0.091	30%	0.302	C	S	.	.			trans	-61.4	134	-168.7	179.4	0	0	0	0	114	E125 L131 K137	E125-S129 VanDerWaalsContact O-CB 3.3Å; E125-S129 WeakPolarHBondContact O-CB 3.35Å; E125-S129 PolarHBondContact O-N 3.34Å; S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 PolarHBondContact O-N 3.37Å; S129-L131 WeakPolarHBondContact OG-CB 3.49Å; S129-L131 PolarHBondContact OG-N 3.01Å; S129-K137 WeakPolarHBondContact O-CE 3.29Å; S129-K137 PolarHBondContact O-NZ 2.66Å
130	S	89.8	Confident	89.7	Confident	90 Å²	90	55.3 Å²	55.3	63%	0.629	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	2	173.8	47.2	0	0	0	0	114.2	Y117 M132	Y117-S130 VanDerWaalsContact CD1-OG 3.25Å; Y117-S130 WeakPolarHBondContact CD1-OG 3.16Å; S130-M132 VanDerWaalsContact C-N 3.28Å; S130-M132 PolarHBondContact O-N 2.83Å
131	L	89.2	Confident	90	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.031	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.3	178.6	-78.7	170.2	0	0	0	114	V110 K112 Y117 P120 S129 F184	V110-L131 HydrophobicContact CG1-CD1 3.58Å; V110-L131 HydrophobicContact CG1-CD2 4.06Å; V110-L131 HydrophobicContact CG1-CG 4.45Å; K112-L131 HydrophobicContact CB-CD2 4.09Å; K112-L131 HydrophobicContact CD-CD2 3.82Å; K112-L131 PolarHBondContact NZ-O 3.03Å; Y117-L131 HydrophobicContact CD1-CD2 4.31Å; Y117-L131 HydrophobicContact CD1-CG 4.44Å; Y117-L131 HydrophobicContact CD2-CD2 3.42Å; Y117-L131 VanDerWaalsContact CD2-CD2 3.42Å; Y117-L131 HydrophobicContact CD2-CG 4.32Å; Y117-L131 HydrophobicContact CE2-CD2 4.22Å; Y117-L131 HydrophobicContact CG-CD2 3.48Å; Y117-L131 VanDerWaalsContact CG-CD2 3.48Å; Y117-L131 HydrophobicContact CG-CG 3.87Å; P120-L131 HydrophobicContact CG-CD1 4.34Å; S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 PolarHBondContact O-N 3.37Å; S129-L131 WeakPolarHBondContact OG-CB 3.49Å; S129-L131 PolarHBondContact OG-N 3.01Å; L131-F184 HydrophobicContact CD1-CD1 4.35Å; L131-F184 HydrophobicContact CD1-CG 4.5Å
132	M	91.7	Very high	90.7	Very high	11 Å²	11	66.3 Å²	66.3	5%	0.054	35%	0.346	C	S	.	.	S	Bend	trans	-127.4	149.9	-168.3	-70.8	169.6	-80.2	0	0	111.7	P120 S130 E136 K137 F140 V181 F184	P120-M132 HydrophobicContact CG-CE 3.85Å; S130-M132 VanDerWaalsContact C-N 3.28Å; S130-M132 PolarHBondContact O-N 2.83Å; M132-E136 HydrophobicContact CB-CB 4.27Å; M132-E136 HydrophobicContact CB-CG 4.3Å; M132-E136 HydrophobicContact CG-CG 4.16Å; M132-E136 HydrophobicContact SD-CG 4.43Å; M132-K137 HydrophobicContact CB-CG 3.6Å; M132-K137 HydrophobicContact CE-CG 4.48Å; M132-K137 WeakPolarHBondContact O-CE 3.46Å; M132-F140 HydrophobicContact CE-CB 4.39Å; M132-F140 HydrophobicContact CE-CD1 3.62Å; M132-F140 HydrophobicContact CE-CE1 4.21Å; M132-F140 HydrophobicContact CE-CG 4.15Å; M132-F140 HydrophobicContact SD-CB 3.58Å; M132-F140 VanDerWaalsContact SD-CB 3.58Å; M132-F140 HydrophobicContact SD-CD1 3.86Å; M132-F140 HydrophobicContact SD-CG 3.73Å; M132-V181 HydrophobicContact CG-CG2 3.78Å; M132-V181 HydrophobicContact SD-CG1 4.48Å; M132-V181 HydrophobicContact SD-CG2 3.92Å; M132-F184 HydrophobicContact CE-CE1 4.22Å; M132-F184 HydrophobicContact CE-CZ 3.79Å; M132-F184 HydrophobicContact CG-CE1 4.12Å; M132-F184 HydrophobicContact SD-CE1 4.01Å; M132-F184 HydrophobicContact SD-CZ 3.84Å
133	G	90.9	Very high	91.4	Very high	45 Å²	45	63.5 Å²	63.5	46%	0.464	33%	0.329	S	S	.	.			trans	-68.9	160.8	168.8	0	0	0	0	0	112.3	F135 E136 K137	G133-F135 VanDerWaalsContact C-N 3.33Å; G133-F135 PolarHBondContact O-N 2.92Å; G133-E136 PolarHBondContact O-N 2.83Å; G133-E136 VanDerWaalsContact O-N 3.1Å; G133-K137 WeakPolarHBondContact O-CG 3.23Å; G133-K137 PolarHBondContact O-N 2.84Å
134	L	89.1	Confident	91.9	Very high	111 Å²	111	60.2 Å²	60.2	58%	0.581	31%	0.314	S	S	*	.	H	α-helix	trans	-53.8	-42.8	-172.6	-176	65.6	0	0	0	114.4
135	F	91.4	Very high	92.3	Very high	146 Å²	146	56.9 Å²	56.9	64%	0.64	29%	0.293	S	S	*	.	H	α-helix	trans	-71.9	-40.5	179.3	-67.3	-77	0	0	0	112.1	G133 K137 R138 R139	G133-F135 VanDerWaalsContact C-N 3.33Å; G133-F135 PolarHBondContact O-N 2.92Å; F135-K137 PolarHBondContact O-N 3.36Å; F135-R138 WeakPolarHBondContact O-CB 3.42Å; F135-R138 PolarHBondContact O-N 2.93Å; F135-R138 VanDerWaalsContact O-N 3.17Å; F135-R139 PolarHBondContact O-N 2.97Å
136	E	93.3	Very high	92.7	Very high	35 Å²	35	55.3 Å²	55.3	16%	0.164	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-38.7	179.8	-170.6	168	-125.7	0	0	111.7	M132 G133 R138 R139 F140 G178 V181	M132-E136 HydrophobicContact CB-CB 4.27Å; M132-E136 HydrophobicContact CB-CG 4.3Å; M132-E136 HydrophobicContact CG-CG 4.16Å; M132-E136 HydrophobicContact SD-CG 4.43Å; G133-E136 PolarHBondContact O-N 2.83Å; G133-E136 VanDerWaalsContact O-N 3.1Å; E136-R138 VanDerWaalsContact C-N 3.26Å; E136-R138 PolarHBondContact O-N 3.02Å; E136-R139 PolarHBondContact O-N 3.34Å; E136-R139 VanDerWaalsContact O-N 3.09Å; E136-F140 WeakPolarHBondContact O-CB 3.27Å; E136-F140 PolarHBondContact O-N 2.99Å; E136-G178 PolarHBondContact OE1-N 2.89Å; E136-V181 HydrophobicContact CG-CG2 3.6Å; E136-V181 VanDerWaalsContact OE1-CG2 3.32Å; E136-V181 WeakPolarHBondContact OE1-CG2 3.41Å
137	K	93.9	Very high	93.1	Very high	32 Å²	32	55.4 Å²	55.4	14%	0.139	29%	0.287	C	S	.	.	H	α-helix	trans	-55.6	-39.6	172	-67.5	-174.3	-155	-161.3	0	113	A126 L127 S129 M132 G133 F135 R141	A126-K137 WeakPolarHBondContact O-CD 3.48Å; A126-K137 WeakPolarHBondContact O-CG 3.19Å; L127-K137 VanDerWaalsContact O-CD 3.28Å; L127-K137 WeakPolarHBondContact O-CD 3.36Å; L127-K137 PolarHBondContact O-NZ 3.47Å; S129-K137 WeakPolarHBondContact O-CE 3.29Å; S129-K137 PolarHBondContact O-NZ 2.66Å; M132-K137 HydrophobicContact CB-CG 3.6Å; M132-K137 HydrophobicContact CE-CG 4.48Å; M132-K137 WeakPolarHBondContact O-CE 3.46Å; G133-K137 WeakPolarHBondContact O-CG 3.23Å; G133-K137 PolarHBondContact O-N 2.84Å; F135-K137 PolarHBondContact O-N 3.36Å; K137-R141 WeakPolarHBondContact O-CB 3.37Å; K137-R141 PolarHBondContact O-N 2.83Å
138	R	94.1	Very high	93.4	Very high	138 Å²	138	54.4 Å²	54.4	52%	0.521	29%	0.291	S	S	.	.	H	α-helix	trans	-68.8	-37.4	178.9	-66.6	177.8	-179.4	176.3	0.2	111.5	F135 E136 K142	F135-R138 WeakPolarHBondContact O-CB 3.42Å; F135-R138 PolarHBondContact O-N 2.93Å; F135-R138 VanDerWaalsContact O-N 3.17Å; E136-R138 VanDerWaalsContact C-N 3.26Å; E136-R138 PolarHBondContact O-N 3.02Å; R138-K142 WeakPolarHBondContact O-CG 3.42Å; R138-K142 PolarHBondContact O-N 3.12Å
139	R	96.4	Very high	93.7	Very high	76 Å²	76	55.5 Å²	55.5	29%	0.287	29%	0.285	S	S	.	.	H	α-helix	trans	-68.9	-45.3	175.2	-65.5	-168.7	-60.2	-112.2	-7.5	111.3	F135 E136 R141 K142 F143 F175 D176 L177	F135-R139 PolarHBondContact O-N 2.97Å; E136-R139 PolarHBondContact O-N 3.34Å; E136-R139 VanDerWaalsContact O-N 3.09Å; R139-R141 VanDerWaalsContact C-N 3.35Å; R139-R141 PolarHBondContact O-N 3.3Å; R139-K142 WeakPolarHBondContact O-CB 3.2Å; R139-K142 PolarHBondContact O-N 3.03Å; R139-K142 VanDerWaalsContact O-N 3.08Å; R139-F143 PolarHBondContact O-N 3.31Å; R139-F175 WeakPolarHBondContact CB-O 3.47Å; R139-F175 WeakPolarHBondContact CD-O 3.12Å; R139-D176 WeakPolarHBondContact CD-OD2 3.47Å; R139-D176 VanDerWaalsContact CZ-O 3.29Å; R139-D176 IonicContact CZ-OD2 3.98Å; R139-D176 PolarHBondContact NE-O 3.08Å; R139-D176 IonicContact NE-OD2 2.72Å; R139-D176 PolarHBondContact NE-OD2 3.38Å; R139-D176 IonicContact NH1-OD2 2.76Å; R139-D176 PolarHBondContact NH1-OD2 3.45Å; R139-D176 PolarHBondContact NH2-O 2.82Å; R139-D176 IonicContact NH2-OD2 3.07Å; R139-L177 HydrophobicContact CB-CD2 3.87Å
140	F	96.8	Very high	94	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-40.5	176	-173.1	-112.7	0	0	0	112.4	P120 A126 M132 E136 K142 F143 L144 L177 V181 F184 T185 L189	P120-F140 HydrophobicContact CB-CE1 4.41Å; P120-F140 HydrophobicContact CG-CE1 4.03Å; A126-F140 HydrophobicContact CB-CD1 3.85Å; A126-F140 HydrophobicContact CB-CE1 4.3Å; M132-F140 HydrophobicContact CE-CB 4.39Å; M132-F140 HydrophobicContact CE-CD1 3.62Å; M132-F140 HydrophobicContact CE-CE1 4.21Å; M132-F140 HydrophobicContact CE-CG 4.15Å; M132-F140 HydrophobicContact SD-CB 3.58Å; M132-F140 VanDerWaalsContact SD-CB 3.58Å; M132-F140 HydrophobicContact SD-CD1 3.86Å; M132-F140 HydrophobicContact SD-CG 3.73Å; E136-F140 WeakPolarHBondContact O-CB 3.27Å; E136-F140 PolarHBondContact O-N 2.99Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 3.3Å; F140-F143 HydrophobicContact CD2-CD1 4.01Å; F140-F143 AromaticContact CE2-CD1 3.79Å; F140-F143 HydrophobicContact CE2-CD1 3.79Å; F140-F143 HydrophobicContact CE2-CE1 4.21Å; F140-F143 WeakPolarHBondContact O-CB 3.37Å; F140-F143 PolarHBondContact O-N 2.86Å; F140-F143 VanDerWaalsContact O-N 3.17Å; F140-L144 HydrophobicContact CD1-CD1 4.14Å; F140-L144 HydrophobicContact CD1-CG 4.34Å; F140-L144 HydrophobicContact CE1-CD1 3.65Å; F140-L144 HydrophobicContact CE1-CD2 4.2Å; F140-L144 HydrophobicContact CE1-CG 3.92Å; F140-L144 HydrophobicContact CE2-CD2 4.38Å; F140-L144 HydrophobicContact CE2-CG 4.5Å; F140-L144 HydrophobicContact CZ-CD1 4.15Å; F140-L144 HydrophobicContact CZ-CD2 3.83Å; F140-L144 HydrophobicContact CZ-CG 3.99Å; F140-L144 PolarHBondContact O-N 3.26Å; F140-L177 HydrophobicContact CB-CD2 4.36Å; F140-L177 HydrophobicContact CD2-CD1 4.18Å; F140-V181 HydrophobicContact CD2-CG1 3.5Å; F140-V181 VanDerWaalsContact CD2-CG1 3.5Å; F140-V181 HydrophobicContact CE2-CG1 3.97Å; F140-V181 HydrophobicContact CG-CG1 4.23Å; F140-F184 HydrophobicContact CD1-CZ 4.23Å; F140-F184 HydrophobicContact CD2-CZ 4.21Å; F140-F184 AromaticContact CE1-CE2 3.87Å; F140-F184 HydrophobicContact CE1-CE2 3.87Å; F140-F184 AromaticContact CE1-CZ 3.89Å; F140-F184 HydrophobicContact CE1-CZ 3.89Å; F140-F184 AromaticContact CE2-CE2 3.9Å; F140-F184 HydrophobicContact CE2-CE2 3.9Å; F140-F184 AromaticContact CE2-CZ 3.9Å; F140-F184 HydrophobicContact CE2-CZ 3.9Å; F140-F184 HydrophobicContact CG-CZ 4.38Å; F140-F184 AromaticContact CZ-CE2 3.45Å; F140-F184 HydrophobicContact CZ-CE2 3.45Å; F140-F184 VanDerWaalsContact CZ-CE2 3.45Å; F140-F184 AromaticContact CZ-CZ 3.73Å; F140-F184 HydrophobicContact CZ-CZ 3.73Å; F140-T185 HydrophobicContact CE2-CG2 4.5Å; F140-T185 VanDerWaalsContact CE2-OG1 3.31Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.34Å; F140-L189 HydrophobicContact CZ-CD1 3.88Å
141	R	95.6	Very high	94.2	Very high	99 Å²	99	54.3 Å²	54.3	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-55.7	-47	170.6	179	-175.2	171.3	-108.8	-2.3	111.7	E123 K137 R139 F143 L144 V145	E123-R141 HydrophobicContact CB-CG 4.05Å; E123-R141 HydrophobicContact CG-CG 4.01Å; E123-R141 IonicContact OE2-CZ 2.94Å; E123-R141 IonicContact OE2-NE 3.93Å; E123-R141 PolarHBondContact OE2-NE 3.46Å; E123-R141 IonicContact OE2-NH2 2.91Å; E123-R141 PolarHBondContact OE2-NH2 3.19Å; K137-R141 WeakPolarHBondContact O-CB 3.37Å; K137-R141 PolarHBondContact O-N 2.83Å; R139-R141 VanDerWaalsContact C-N 3.35Å; R139-R141 PolarHBondContact O-N 3.3Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 3.29Å; R141-L144 PolarHBondContact O-N 3.48Å; R141-V145 WeakPolarHBondContact O-CG2 3.44Å; R141-V145 PolarHBondContact O-N 3.44Å
142	K	96.1	Very high	94.3	Very high	140 Å²	140	59 Å²	59	61%	0.609	29%	0.292	S	S	*	.	H	α-helix	trans	-61.3	-39.7	177.8	-71.8	178.8	178.3	-172.6	0	111.8	R138 R139 F140 V145 F146 F175	R138-K142 WeakPolarHBondContact O-CG 3.42Å; R138-K142 PolarHBondContact O-N 3.12Å; R139-K142 WeakPolarHBondContact O-CB 3.2Å; R139-K142 PolarHBondContact O-N 3.03Å; R139-K142 VanDerWaalsContact O-N 3.08Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 3.3Å; K142-V145 PolarHBondContact O-N 3.17Å; K142-F146 PolarHBondContact O-N 3.13Å; K142-F175 HydrophobicContact CB-CD1 4.26Å; K142-F175 HydrophobicContact CB-CE1 4.32Å
143	F	97.1	Very high	94.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-47.1	173.7	168.8	-103.1	0	0	0	112	R139 F140 R141 V145 F146 V147 M168 V171 F172 F175 L177 T185 I209	R139-F143 PolarHBondContact O-N 3.31Å; F140-F143 HydrophobicContact CD2-CD1 4.01Å; F140-F143 AromaticContact CE2-CD1 3.79Å; F140-F143 HydrophobicContact CE2-CD1 3.79Å; F140-F143 HydrophobicContact CE2-CE1 4.21Å; F140-F143 WeakPolarHBondContact O-CB 3.37Å; F140-F143 PolarHBondContact O-N 2.86Å; F140-F143 VanDerWaalsContact O-N 3.17Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 3.29Å; F143-V145 VanDerWaalsContact C-N 3.3Å; F143-V145 PolarHBondContact O-N 2.85Å; F143-F146 WeakPolarHBondContact O-CB 3.32Å; F143-F146 PolarHBondContact O-N 3.21Å; F143-F146 VanDerWaalsContact O-N 3.11Å; F143-V147 HydrophobicContact CD1-CG2 4.4Å; F143-V147 HydrophobicContact CD2-CG2 4.22Å; F143-V147 HydrophobicContact CE1-CG2 3.91Å; F143-V147 HydrophobicContact CE2-CG2 3.71Å; F143-V147 HydrophobicContact CZ-CG2 3.54Å; F143-V147 WeakPolarHBondContact O-CG2 3.3Å; F143-V147 PolarHBondContact O-N 3.4Å; F143-M168 HydrophobicContact CE2-CE 3.74Å; F143-M168 HydrophobicContact CZ-CE 3.68Å; F143-V171 HydrophobicContact CD2-CG1 4.46Å; F143-V171 HydrophobicContact CE2-CG1 4Å; F143-F172 HydrophobicContact CE1-CE1 4.33Å; F143-F172 HydrophobicContact CE2-CD1 4.31Å; F143-F172 HydrophobicContact CE2-CE1 4.15Å; F143-F172 HydrophobicContact CZ-CD1 4.42Å; F143-F172 AromaticContact CZ-CE1 3.83Å; F143-F172 HydrophobicContact CZ-CE1 3.83Å; F143-F175 HydrophobicContact CB-CB 4.27Å; F143-F175 HydrophobicContact CB-CD1 4.05Å; F143-F175 HydrophobicContact CB-CD2 4.23Å; F143-F175 HydrophobicContact CB-CG 3.91Å; F143-F175 AromaticContact CD2-CD2 3.7Å; F143-F175 HydrophobicContact CD2-CD2 3.7Å; F143-F175 AromaticContact CD2-CE2 3.98Å; F143-F175 HydrophobicContact CD2-CE2 3.98Å; F143-F175 HydrophobicContact CD2-CG 4.24Å; F143-F175 HydrophobicContact CG-CD2 4.45Å; F143-L177 HydrophobicContact CB-CD1 4.08Å; F143-L177 HydrophobicContact CD1-CD1 4.2Å; F143-L177 HydrophobicContact CD2-CD1 4.39Å; F143-L177 HydrophobicContact CG-CD1 3.95Å; F143-T185 HydrophobicContact CE1-CG2 3.79Å; F143-T185 HydrophobicContact CZ-CG2 4.21Å; F143-I209 HydrophobicContact CE1-CD1 4.14Å; F143-I209 HydrophobicContact CZ-CD1 3.74Å
144	L	95.3	Very high	94.6	Very high	10 Å²	10	65.4 Å²	65.4	5%	0.052	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-38.8	176.6	-68.8	-177.8	0	0	0	112.5	A126 F140 R141 F146 V147 A148 L189	A126-L144 HydrophobicContact CB-CD1 4.09Å; F140-L144 HydrophobicContact CD1-CD1 4.14Å; F140-L144 HydrophobicContact CD1-CG 4.34Å; F140-L144 HydrophobicContact CE1-CD1 3.65Å; F140-L144 HydrophobicContact CE1-CD2 4.2Å; F140-L144 HydrophobicContact CE1-CG 3.92Å; F140-L144 HydrophobicContact CE2-CD2 4.38Å; F140-L144 HydrophobicContact CE2-CG 4.5Å; F140-L144 HydrophobicContact CZ-CD1 4.15Å; F140-L144 HydrophobicContact CZ-CD2 3.83Å; F140-L144 HydrophobicContact CZ-CG 3.99Å; F140-L144 PolarHBondContact O-N 3.26Å; R141-L144 PolarHBondContact O-N 3.48Å; L144-F146 VanDerWaalsContact C-N 3.33Å; L144-V147 PolarHBondContact O-N 3.4Å; L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 3Å; L144-L189 HydrophobicContact CD2-CD1 4.44Å
145	V	95.3	Very high	94.8	Very high	43 Å²	43	64.8 Å²	64.8	26%	0.261	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-40.8	174.6	172.1	0	0	0	0	111.1	E123 R141 K142 F143 N149	E123-V145 HydrophobicContact CG-CG2 3.95Å; E123-V145 WeakPolarHBondContact OE1-CG2 3.32Å; R141-V145 WeakPolarHBondContact O-CG2 3.44Å; R141-V145 PolarHBondContact O-N 3.44Å; K142-V145 PolarHBondContact O-N 3.17Å; F143-V145 VanDerWaalsContact C-N 3.3Å; F143-V145 PolarHBondContact O-N 2.85Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.48Å; V145-N149 WeakPolarHBondContact O-CB 3.41Å; V145-N149 PolarHBondContact O-N 3.24Å; V145-N149 VanDerWaalsContact O-N 3.15Å; V145-N149 PolarHBondContact O-ND2 2.91Å
146	F	96.6	Very high	95	Very high	3 Å²	3	66.4 Å²	66.4	1%	0.013	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-50.2	174	165	-102.3	0	0	0	111.4	K142 F143 L144 A148 N149 F150 E159 V161 V171 F175 L206	K142-F146 PolarHBondContact O-N 3.13Å; F143-F146 WeakPolarHBondContact O-CB 3.32Å; F143-F146 PolarHBondContact O-N 3.21Å; F143-F146 VanDerWaalsContact O-N 3.11Å; L144-F146 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 3.23Å; F146-N149 PolarHBondContact O-N 2.92Å; F146-F150 HydrophobicContact CE1-CD2 4.25Å; F146-F150 AromaticContact CE2-CD2 3.85Å; F146-F150 HydrophobicContact CE2-CD2 3.85Å; F146-F150 HydrophobicContact CE2-CE2 4.38Å; F146-F150 AromaticContact CZ-CD2 3.57Å; F146-F150 HydrophobicContact CZ-CD2 3.57Å; F146-F150 AromaticContact CZ-CE2 3.93Å; F146-F150 HydrophobicContact CZ-CE2 3.93Å; F146-F150 WeakPolarHBondContact O-CB 3.49Å; F146-F150 PolarHBondContact O-N 3.22Å; F146-E159 HydrophobicContact CD2-CB 4.39Å; F146-E159 HydrophobicContact CD2-CG 4.17Å; F146-E159 HydrophobicContact CE2-CB 4.21Å; F146-E159 HydrophobicContact CE2-CG 4.41Å; F146-V161 HydrophobicContact CE2-CG2 4.43Å; F146-V161 HydrophobicContact CZ-CB 4.32Å; F146-V161 HydrophobicContact CZ-CG2 3.94Å; F146-V171 HydrophobicContact CE1-CG1 4.05Å; F146-F175 HydrophobicContact CB-CE1 4.07Å; F146-F175 HydrophobicContact CB-CE2 4.19Å; F146-F175 HydrophobicContact CB-CZ 3.43Å; F146-F175 VanDerWaalsContact CB-CZ 3.43Å; F146-F175 AromaticContact CD1-CE2 3.65Å; F146-F175 HydrophobicContact CD1-CE2 3.65Å; F146-F175 AromaticContact CD1-CZ 3.76Å; F146-F175 HydrophobicContact CD1-CZ 3.76Å; F146-F175 HydrophobicContact CD2-CZ 4.09Å; F146-F175 HydrophobicContact CE1-CE2 4.17Å; F146-F175 AromaticContact CG-CE2 3.89Å; F146-F175 HydrophobicContact CG-CE2 3.89Å; F146-F175 AromaticContact CG-CZ 3.48Å; F146-F175 HydrophobicContact CG-CZ 3.48Å; F146-F175 VanDerWaalsContact CG-CZ 3.48Å; F146-L206 HydrophobicContact CD1-CD2 4.48Å; F146-L206 HydrophobicContact CE1-CD1 4.31Å; F146-L206 HydrophobicContact CE1-CD2 3.89Å
147	V	95.9	Very high	95.1	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-44.8	179.2	177.3	0	0	0	0	111.7	F143 L144 N149 F150 L206 I209 K210	F143-V147 HydrophobicContact CD1-CG2 4.4Å; F143-V147 HydrophobicContact CD2-CG2 4.22Å; F143-V147 HydrophobicContact CE1-CG2 3.91Å; F143-V147 HydrophobicContact CE2-CG2 3.71Å; F143-V147 HydrophobicContact CZ-CG2 3.54Å; F143-V147 WeakPolarHBondContact O-CG2 3.3Å; F143-V147 PolarHBondContact O-N 3.4Å; L144-V147 PolarHBondContact O-N 3.4Å; V147-N149 VanDerWaalsContact C-N 3.31Å; V147-N149 PolarHBondContact O-N 3.42Å; V147-F150 WeakPolarHBondContact O-CB 3.47Å; V147-F150 PolarHBondContact O-N 3.05Å; V147-L206 HydrophobicContact CG2-CD2 3.82Å; V147-I209 HydrophobicContact CG1-CB 4.04Å; V147-I209 HydrophobicContact CG1-CG2 3.83Å; V147-I209 HydrophobicContact CG2-CG2 4.38Å; V147-K210 HydrophobicContact CG1-CB 4.15Å
148	A	93.4	Very high	95.1	Very high	63 Å²	63	65.9 Å²	65.9	52%	0.521	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-37.9	-178.7	0	0	0	0	0	112.6	L144 F146	L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 3Å; F146-A148 PolarHBondContact O-N 3.23Å
149	N	95.4	Very high	95.2	Very high	102 Å²	102	64.5 Å²	64.5	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-86.8	-9.2	-179.7	-68.1	-48.9	0	0	0	113.7	V145 F146 V147 D151 T157	V145-N149 WeakPolarHBondContact CG1-ND2 3.48Å; V145-N149 WeakPolarHBondContact O-CB 3.41Å; V145-N149 PolarHBondContact O-N 3.24Å; V145-N149 VanDerWaalsContact O-N 3.15Å; V145-N149 PolarHBondContact O-ND2 2.91Å; F146-N149 PolarHBondContact O-N 2.92Å; V147-N149 VanDerWaalsContact C-N 3.31Å; V147-N149 PolarHBondContact O-N 3.42Å; N149-D151 PolarHBondContact O-N 2.92Å; N149-T157 WeakPolarHBondContact O-CB 3.49Å; N149-T157 WeakPolarHBondContact O-CG2 3.42Å
150	F	95.9	Very high	95	Very high	8 Å²	8	64.7 Å²	64.7	4%	0.035	35%	0.351	C	S	.	.			trans	-62.7	123.9	-175.9	-168.5	-87.5	0	0	0	111.5	F146 V147 E152 M158 P163 M203 L206 K210	F146-F150 HydrophobicContact CE1-CD2 4.25Å; F146-F150 AromaticContact CE2-CD2 3.85Å; F146-F150 HydrophobicContact CE2-CD2 3.85Å; F146-F150 HydrophobicContact CE2-CE2 4.38Å; F146-F150 AromaticContact CZ-CD2 3.57Å; F146-F150 HydrophobicContact CZ-CD2 3.57Å; F146-F150 AromaticContact CZ-CE2 3.93Å; F146-F150 HydrophobicContact CZ-CE2 3.93Å; F146-F150 WeakPolarHBondContact O-CB 3.49Å; F146-F150 PolarHBondContact O-N 3.22Å; V147-F150 WeakPolarHBondContact O-CB 3.47Å; V147-F150 PolarHBondContact O-N 3.05Å; F150-E152 HydrophobicContact CE1-CB 4.43Å; F150-M158 HydrophobicContact CE2-CB 4.04Å; F150-M158 HydrophobicContact CE2-CG 3.87Å; F150-M158 HydrophobicContact CZ-CG 4.01Å; F150-P163 HydrophobicContact CE1-CB 4.26Å; F150-P163 HydrophobicContact CZ-CB 3.76Å; F150-P163 HydrophobicContact CZ-CG 3.94Å; F150-M203 HydrophobicContact CE1-SD 3.9Å; F150-L206 HydrophobicContact CD1-CD1 4.16Å; F150-L206 HydrophobicContact CD2-CD1 3.89Å; F150-L206 HydrophobicContact CE1-CD1 4.08Å; F150-L206 HydrophobicContact CE2-CD1 3.79Å; F150-L206 HydrophobicContact CG-CD1 4.09Å; F150-L206 HydrophobicContact CZ-CD1 3.9Å; F150-K210 PolarHBondContact O-NZ 2.76Å; F150-K210 VanDerWaalsContact O-NZ 3.08Å
151	D	94.4	Very high	94.9	Very high	70 Å²	70	65.1 Å²	65.1	37%	0.374	35%	0.354	S	S	.	.			trans	-134.2	117.7	172.7	-174.4	-10.9	0	0	0	109	N149 N153 D154 T157	N149-D151 PolarHBondContact O-N 2.92Å; D151-N153 PolarHBondContact O-N 3.46Å; D151-N153 VanDerWaalsContact O-N 3.14Å; D151-N153 WeakPolarHBondContact OD1-CB 3.44Å; D151-N153 PolarHBondContact OD1-N 3.46Å; D151-N153 PolarHBondContact OD1-ND2 3.22Å; D151-D154 HydrophobicContact CB-CB 4.29Å; D151-D154 PolarHBondContact O-N 3.17Å; D151-D154 VanDerWaalsContact O-N 3.08Å; D151-T157 HydrophobicContact CB-CG2 4.4Å; D151-T157 PolarHBondContact N-OG1 3.07Å; D151-T157 PolarHBondContact O-OG1 2.77Å
152	E	92.7	Very high	94.9	Very high	104 Å²	104	63.1 Å²	63.1	49%	0.486	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.2	178.9	64.7	178.6	171.6	0	0	113.4	F150 M203	F150-E152 HydrophobicContact CE1-CB 4.43Å; E152-M203 HydrophobicContact CB-CE 3.97Å; E152-M203 HydrophobicContact CB-SD 4.49Å; E152-M203 HydrophobicContact CG-CE 4.09Å; E152-M203 WeakPolarHBondContact OE2-CE 3.35Å
153	N	94	Very high	94.8	Very high	129 Å²	129	56.6 Å²	56.6	69%	0.69	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-8.1	178.9	-55	-72.1	0	0	0	112.8	D151	D151-N153 PolarHBondContact O-N 3.46Å; D151-N153 VanDerWaalsContact O-N 3.14Å; D151-N153 WeakPolarHBondContact OD1-CB 3.44Å; D151-N153 PolarHBondContact OD1-N 3.46Å; D151-N153 PolarHBondContact OD1-ND2 3.22Å
154	D	94.9	Very high	94.7	Very high	62 Å²	62	61.9 Å²	61.9	33%	0.332	35%	0.351	S	S	.	.			trans	-121.2	99.8	175.4	-174.3	-3.9	0	0	0	111.7	D151 K156 T157	D151-D154 HydrophobicContact CB-CB 4.29Å; D151-D154 PolarHBondContact O-N 3.17Å; D151-D154 VanDerWaalsContact O-N 3.08Å; D154-K156 PolarHBondContact O-N 3.35Å; D154-K156 WeakPolarHBondContact OD1-CB 3.29Å; D154-K156 PolarHBondContact OD1-N 3.18Å; D154-T157 HydrophobicContact CB-CG2 3.96Å; D154-T157 PolarHBondContact O-N 2.9Å; D154-T157 PolarHBondContact O-OG1 3.33Å
155	P	93.3	Very high	94.8	Very high	98 Å²	98	69 Å²	69	64%	0.636	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-24.3	177.1	-29.4	36.6	0	0	0	116	M158	P155-M158 VanDerWaalsContact CA-SD 3.55Å; P155-M158 HydrophobicContact CB-SD 4.43Å
156	K	94.6	Very high	94.9	Very high	179 Å²	179	68.4 Å²	68.4	78%	0.778	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-36.9	178.5	-66.1	177.5	-178.8	172.2	0	111.9	D154 M158	D154-K156 PolarHBondContact O-N 3.35Å; D154-K156 WeakPolarHBondContact OD1-CB 3.29Å; D154-K156 PolarHBondContact OD1-N 3.18Å; K156-M158 VanDerWaalsContact C-N 3.28Å; K156-M158 PolarHBondContact O-N 3.2Å
157	T	95.4	Very high	95	Very high	30 Å²	30	69.7 Å²	69.7	18%	0.184	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.3	-178.9	71.2	0	0	0	0	112.5	N149 D151 D154 E159	N149-T157 WeakPolarHBondContact O-CB 3.49Å; N149-T157 WeakPolarHBondContact O-CG2 3.42Å; D151-T157 HydrophobicContact CB-CG2 4.4Å; D151-T157 PolarHBondContact N-OG1 3.07Å; D151-T157 PolarHBondContact O-OG1 2.77Å; D154-T157 HydrophobicContact CB-CG2 3.96Å; D154-T157 PolarHBondContact O-N 2.9Å; D154-T157 PolarHBondContact O-OG1 3.33Å; T157-E159 PolarHBondContact O-N 2.87Å
158	M	95	Very high	95.1	Very high	27 Å²	27	69.5 Å²	69.5	13%	0.133	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.6	-178.1	-57.9	163.9	75.3	0	0	112.3	F150 P155 K156 G160 V161 P163	F150-M158 HydrophobicContact CE2-CB 4.04Å; F150-M158 HydrophobicContact CE2-CG 3.87Å; F150-M158 HydrophobicContact CZ-CG 4.01Å; P155-M158 VanDerWaalsContact CA-SD 3.55Å; P155-M158 HydrophobicContact CB-SD 4.43Å; K156-M158 VanDerWaalsContact C-N 3.28Å; K156-M158 PolarHBondContact O-N 3.2Å; M158-G160 PolarHBondContact O-N 3.33Å; M158-G160 VanDerWaalsContact O-N 3.07Å; M158-V161 WeakPolarHBondContact CE-O 3.27Å; M158-V161 VanDerWaalsContact O-CB 3.27Å; M158-V161 WeakPolarHBondContact O-CB 3.32Å; M158-V161 WeakPolarHBondContact O-CG2 3.48Å; M158-V161 PolarHBondContact O-N 3.46Å; M158-P163 HydrophobicContact CE-CG 3.62Å
159	E	94.3	Very high	95.3	Very high	108 Å²	108	71.4 Å²	71.4	51%	0.505	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	41.4	177.3	-63.8	-172.9	-178.7	0	0	113.7	F146 T157 K174	F146-E159 HydrophobicContact CD2-CB 4.39Å; F146-E159 HydrophobicContact CD2-CG 4.17Å; F146-E159 HydrophobicContact CE2-CB 4.21Å; F146-E159 HydrophobicContact CE2-CG 4.41Å; T157-E159 PolarHBondContact O-N 2.87Å; E159-K174 PolarHBondContact O-NZ 3.17Å; E159-K174 IonicContact OE2-NZ 3.1Å; E159-K174 PolarHBondContact OE2-NZ 3.06Å
160	G	92.2	Very high	95.5	Very high	81 Å²	81	70.2 Å²	70.2	84%	0.835	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	7.5	179.6	0	0	0	0	0	116.1	M158	M158-G160 PolarHBondContact O-N 3.33Å; M158-G160 VanDerWaalsContact O-N 3.07Å
161	V	95.6	Very high	95.6	Very high	9 Å²	9	69.9 Å²	69.9	6%	0.055	37%	0.371	C	S	.	.			trans	-85.4	133.1	170.4	177	0	0	0	0	109.3	F146 M158 T166 V171 K174 C202	F146-V161 HydrophobicContact CE2-CG2 4.43Å; F146-V161 HydrophobicContact CZ-CB 4.32Å; F146-V161 HydrophobicContact CZ-CG2 3.94Å; M158-V161 WeakPolarHBondContact CE-O 3.27Å; M158-V161 VanDerWaalsContact O-CB 3.27Å; M158-V161 WeakPolarHBondContact O-CB 3.32Å; M158-V161 WeakPolarHBondContact O-CG2 3.48Å; M158-V161 PolarHBondContact O-N 3.46Å; V161-T166 HydrophobicContact CG1-CG2 4.01Å; V161-V171 HydrophobicContact CG1-CG2 3.97Å; V161-V171 HydrophobicContact CG2-CG2 4.41Å; V161-K174 HydrophobicContact CG2-CD 4.17Å; V161-C202 VanDerWaalsContact CG1-SG 3.58Å
162	D	95.9	Very high	95.8	Very high	56 Å²	56	66.6 Å²	66.6	30%	0.299	35%	0.353	S	S	.	.			trans	-97.5	105.8	168.4	-178.7	-17.6	0	0	0	108	N164 K165 T166	D162-N164 PolarHBondContact O-N 3.37Å; D162-N164 PolarHBondContact OD1-N 3.41Å; D162-K165 HydrophobicContact CB-CB 4.26Å; D162-K165 PolarHBondContact O-N 2.91Å; D162-K165 VanDerWaalsContact OD2-CD 3.27Å; D162-K165 WeakPolarHBondContact OD2-CD 3.44Å; D162-K165 WeakPolarHBondContact OD2-CE 3.42Å; D162-K165 IonicContact OD2-NZ 2.8Å; D162-K165 PolarHBondContact OD2-NZ 3.08Å; D162-T166 PolarHBondContact N-OG1 3.4Å; D162-T166 VanDerWaalsContact O-CB 3.29Å; D162-T166 WeakPolarHBondContact O-CB 3.42Å; D162-T166 PolarHBondContact O-N 3.23Å; D162-T166 PolarHBondContact O-OG1 3.07Å
163	P	94.1	Very high	96	Very high	4 Å²	4	69.5 Å²	69.5	3%	0.026	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.5	-170.9	21	-31.9	0	0	0	113.9	F150 M158 P201 C202 M203	F150-P163 HydrophobicContact CE1-CB 4.26Å; F150-P163 HydrophobicContact CZ-CB 3.76Å; F150-P163 HydrophobicContact CZ-CG 3.94Å; M158-P163 HydrophobicContact CE-CG 3.62Å; P163-P201 WeakPolarHBondContact O-CB 3.29Å; P163-C202 PolarHBondContact O-N 3.24Å; P163-M203 HydrophobicContact CB-CB 3.97Å; P163-M203 HydrophobicContact CB-CG 4.32Å; P163-M203 HydrophobicContact CB-SD 3.66Å; P163-M203 HydrophobicContact CG-SD 4.39Å; P163-M203 WeakPolarHBondContact O-CB 3.46Å; P163-M203 PolarHBondContact O-N 2.98Å
164	N	94.9	Very high	96.2	Very high	110 Å²	110	67.7 Å²	67.7	59%	0.588	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-5.5	-177.7	-64.7	-53.7	0	0	0	112.9	D162	D162-N164 PolarHBondContact O-N 3.37Å; D162-N164 PolarHBondContact OD1-N 3.41Å
165	K	96.1	Very high	96.4	Very high	159 Å²	159	65.8 Å²	65.8	69%	0.691	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	-38.6	-177	-61.7	-175.1	-166.1	146.1	0	114.4	D162 T167	D162-K165 HydrophobicContact CB-CB 4.26Å; D162-K165 PolarHBondContact O-N 2.91Å; D162-K165 VanDerWaalsContact OD2-CD 3.27Å; D162-K165 WeakPolarHBondContact OD2-CD 3.44Å; D162-K165 WeakPolarHBondContact OD2-CE 3.42Å; D162-K165 IonicContact OD2-NZ 2.8Å; D162-K165 PolarHBondContact OD2-NZ 3.08Å; K165-T167 PolarHBondContact O-N 2.68Å
166	T	98.1	Very high	96.5	Very high	32 Å²	32	65.8 Å²	65.8	20%	0.196	33%	0.334	C	S	.	.	S	Bend	trans	-68.1	127.9	178.5	-55.9	0	0	0	0	109	V161 D162 D170 V171 C202	V161-T166 HydrophobicContact CG1-CG2 4.01Å; D162-T166 PolarHBondContact N-OG1 3.4Å; D162-T166 VanDerWaalsContact O-CB 3.29Å; D162-T166 WeakPolarHBondContact O-CB 3.42Å; D162-T166 PolarHBondContact O-N 3.23Å; D162-T166 PolarHBondContact O-OG1 3.07Å; T166-D170 HydrophobicContact CG2-CB 3.76Å; T166-V171 HydrophobicContact CG2-CG2 4.07Å; T166-C202 PolarHBondContact O-N 3.14Å
167	T	98.5	Very high	96.6	Very high	29 Å²	29	58 Å²	58	18%	0.178	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-73.4	154.9	179.4	67.4	0	0	0	0	111	K165 R169 D170 V171 L198 L200	K165-T167 PolarHBondContact O-N 2.68Å; T167-R169 PolarHBondContact O-N 3.28Å; T167-D170 PolarHBondContact O-N 2.9Å; T167-D170 VanDerWaalsContact O-N 3.13Å; T167-D170 PolarHBondContact OG1-N 3.48Å; T167-D170 VanDerWaalsContact OG1-N 3.12Å; T167-D170 PolarHBondContact OG1-OD2 3.02Å; T167-V171 PolarHBondContact O-N 3.35Å; T167-V171 VanDerWaalsContact O-N 3.14Å; T167-L198 WeakPolarHBondContact CB-O 3.33Å; T167-L200 VanDerWaalsContact CA-O 3.29Å; T167-L200 WeakPolarHBondContact CA-O 3.36Å
168	M	98.6	Very high	96.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-31.1	174.9	-166	61.7	-157	0	0	112	F143 D170 V171 F172 Y197 L198 L200 C202 S205 L206 I209	F143-M168 HydrophobicContact CE2-CE 3.74Å; F143-M168 HydrophobicContact CZ-CE 3.68Å; M168-D170 PolarHBondContact O-N 3.49Å; M168-V171 HydrophobicContact CE-CB 4.3Å; M168-V171 HydrophobicContact CE-CG1 4.06Å; M168-V171 WeakPolarHBondContact O-CB 3.44Å; M168-V171 PolarHBondContact O-N 3.16Å; M168-V171 HydrophobicContact SD-CB 4.17Å; M168-V171 HydrophobicContact SD-CG1 4.41Å; M168-V171 HydrophobicContact SD-CG2 4.5Å; M168-F172 HydrophobicContact CE-CD1 3.83Å; M168-F172 HydrophobicContact CE-CD2 4.47Å; M168-F172 HydrophobicContact CE-CE1 3.32Å; M168-F172 HydrophobicContact CE-CE2 4.02Å; M168-F172 HydrophobicContact CE-CG 4.4Å; M168-F172 HydrophobicContact CE-CZ 3.44Å; M168-F172 VanDerWaalsContact CE-CZ 3.44Å; M168-F172 HydrophobicContact CG-CD2 4.18Å; M168-F172 HydrophobicContact CG-CE2 3.71Å; M168-F172 HydrophobicContact CG-CZ 4.02Å; M168-F172 WeakPolarHBondContact O-CD2 3.36Å; M168-F172 WeakPolarHBondContact O-CG 3.29Å; M168-F172 PolarHBondContact O-N 3.34Å; M168-Y197 HydrophobicContact CB-CD2 4.09Å; M168-Y197 HydrophobicContact CB-CE2 4.37Å; M168-Y197 HydrophobicContact CG-CD2 3.92Å; M168-Y197 HydrophobicContact CG-CE2 3.85Å; M168-L198 PolarHBondContact N-O 3.29Å; M168-L200 PolarHBondContact N-O 2.99Å; M168-L200 VanDerWaalsContact N-O 3.17Å; M168-C202 HydrophobicContact CB-CB 4.34Å; M168-C202 HydrophobicContact SD-CB 3.77Å; M168-S205 VanDerWaalsContact SD-CB 3.58Å; M168-L206 HydrophobicContact CE-CD2 4.4Å; M168-L206 HydrophobicContact SD-CD2 4.47Å; M168-I209 HydrophobicContact CE-CD1 4.21Å
169	R	98.4	Very high	96.5	Very high	103 Å²	103	61 Å²	61	39%	0.389	32%	0.319	S	S	.	.	H	α-helix	trans	-58.1	-44.8	171.8	-172.5	-175.9	-56.3	-74.1	2	112.1	T167 V171 F172 K173 L198 D199	T167-R169 PolarHBondContact O-N 3.28Å; R169-V171 VanDerWaalsContact C-N 3.34Å; R169-F172 PolarHBondContact O-N 3.46Å; R169-K173 WeakPolarHBondContact O-CB 3.49Å; R169-K173 PolarHBondContact O-N 2.55Å; R169-L198 HydrophobicContact CB-CB 4.31Å; R169-L198 WeakPolarHBondContact CB-O 3.19Å; R169-L198 PolarHBondContact N-O 3.33Å; R169-D199 IonicContact CZ-OD1 3.8Å; R169-D199 IonicContact CZ-OD2 3.4Å; R169-D199 IonicContact NE-OD1 3.74Å; R169-D199 PolarHBondContact NE-OD1 3.12Å; R169-D199 VanDerWaalsContact NH2-CG 3.3Å; R169-D199 IonicContact NH2-OD1 3.77Å; R169-D199 PolarHBondContact NH2-OD1 3.05Å; R169-D199 IonicContact NH2-OD2 2.71Å; R169-D199 PolarHBondContact NH2-OD2 2.77Å
170	D	98.4	Very high	96.4	Very high	76 Å²	76	58.1 Å²	58.1	41%	0.406	31%	0.307	S	S	.	.	H	α-helix	trans	-67.8	-35.4	178	-69.8	-42.1	0	0	0	112	T166 T167 M168 K173 K174	T166-D170 HydrophobicContact CG2-CB 3.76Å; T167-D170 PolarHBondContact O-N 2.9Å; T167-D170 VanDerWaalsContact O-N 3.13Å; T167-D170 PolarHBondContact OG1-N 3.48Å; T167-D170 VanDerWaalsContact OG1-N 3.12Å; T167-D170 PolarHBondContact OG1-OD2 3.02Å; M168-D170 PolarHBondContact O-N 3.49Å; D170-K173 PolarHBondContact O-N 2.79Å; D170-K174 WeakPolarHBondContact O-CB 3.49Å; D170-K174 PolarHBondContact O-N 3.06Å
171	V	98.4	Very high	96.5	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-48.9	171.7	177.8	0	0	0	0	110.4	F143 F146 V161 T166 T167 M168 R169 K173 K174 F175 C202	F143-V171 HydrophobicContact CD2-CG1 4.46Å; F143-V171 HydrophobicContact CE2-CG1 4Å; F146-V171 HydrophobicContact CE1-CG1 4.05Å; V161-V171 HydrophobicContact CG1-CG2 3.97Å; V161-V171 HydrophobicContact CG2-CG2 4.41Å; T166-V171 HydrophobicContact CG2-CG2 4.07Å; T167-V171 PolarHBondContact O-N 3.35Å; T167-V171 VanDerWaalsContact O-N 3.14Å; M168-V171 HydrophobicContact CE-CB 4.3Å; M168-V171 HydrophobicContact CE-CG1 4.06Å; M168-V171 WeakPolarHBondContact O-CB 3.44Å; M168-V171 PolarHBondContact O-N 3.16Å; M168-V171 HydrophobicContact SD-CB 4.17Å; M168-V171 HydrophobicContact SD-CG1 4.41Å; M168-V171 HydrophobicContact SD-CG2 4.5Å; R169-V171 VanDerWaalsContact C-N 3.34Å; V171-K173 VanDerWaalsContact C-N 3.3Å; V171-K173 PolarHBondContact O-N 2.56Å; V171-K174 WeakPolarHBondContact O-CB 3.5Å; V171-K174 PolarHBondContact O-N 2.85Å; V171-F175 HydrophobicContact CG1-CD2 4.3Å; V171-F175 HydrophobicContact CG1-CE2 4.2Å; V171-F175 VanDerWaalsContact O-CD2 3.29Å; V171-F175 WeakPolarHBondContact O-CD2 3.47Å; V171-F175 PolarHBondContact O-N 3.23Å; V171-C202 HydrophobicContact CG2-CB 3.7Å
172	F	98.3	Very high	96.5	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-39	176.9	-68.8	-42.1	0	0	0	113	F143 M168 R169 F175 D176 L177 I182 T185 Y197 L198	F143-F172 HydrophobicContact CE1-CE1 4.33Å; F143-F172 HydrophobicContact CE2-CD1 4.31Å; F143-F172 HydrophobicContact CE2-CE1 4.15Å; F143-F172 HydrophobicContact CZ-CD1 4.42Å; F143-F172 AromaticContact CZ-CE1 3.83Å; F143-F172 HydrophobicContact CZ-CE1 3.83Å; M168-F172 HydrophobicContact CE-CD1 3.83Å; M168-F172 HydrophobicContact CE-CD2 4.47Å; M168-F172 HydrophobicContact CE-CE1 3.32Å; M168-F172 HydrophobicContact CE-CE2 4.02Å; M168-F172 HydrophobicContact CE-CG 4.4Å; M168-F172 HydrophobicContact CE-CZ 3.44Å; M168-F172 VanDerWaalsContact CE-CZ 3.44Å; M168-F172 HydrophobicContact CG-CD2 4.18Å; M168-F172 HydrophobicContact CG-CE2 3.71Å; M168-F172 HydrophobicContact CG-CZ 4.02Å; M168-F172 WeakPolarHBondContact O-CD2 3.36Å; M168-F172 WeakPolarHBondContact O-CG 3.29Å; M168-F172 PolarHBondContact O-N 3.34Å; R169-F172 PolarHBondContact O-N 3.46Å; F172-F175 CarbonylContact O-C 3.55Å; F172-F175 PolarHBondContact O-N 3.37Å; F172-D176 PolarHBondContact O-N 3.11Å; F172-D176 VanDerWaalsContact O-N 3.12Å; F172-L177 HydrophobicContact CD1-CD1 3.84Å; F172-L177 HydrophobicContact CE1-CD1 4.37Å; F172-L177 PolarHBondContact O-N 2.83Å; F172-I182 HydrophobicContact CB-CD1 3.96Å; F172-I182 HydrophobicContact CB-CG1 4.03Å; F172-I182 HydrophobicContact CD1-CG1 4.42Å; F172-I182 HydrophobicContact CD2-CB 4.34Å; F172-I182 HydrophobicContact CD2-CD1 4.09Å; F172-I182 HydrophobicContact CD2-CG1 3.73Å; F172-I182 HydrophobicContact CD2-CG2 3.92Å; F172-I182 HydrophobicContact CE2-CB 4.37Å; F172-I182 HydrophobicContact CE2-CG1 4.2Å; F172-I182 HydrophobicContact CE2-CG2 3.77Å; F172-I182 HydrophobicContact CG-CD1 4.23Å; F172-I182 HydrophobicContact CG-CG1 3.84Å; F172-T185 HydrophobicContact CE1-CG2 3.81Å; F172-T185 HydrophobicContact CZ-CG2 3.87Å; F172-Y197 AromaticContact CE2-CE2 3.81Å; F172-Y197 HydrophobicContact CE2-CE2 3.81Å; F172-Y197 HydrophobicContact CZ-CE2 4.26Å; F172-L198 HydrophobicContact CD2-CD2 3.79Å; F172-L198 HydrophobicContact CE2-CD2 3.68Å
173	K	97.9	Very high	96.4	Very high	164 Å²	164	52.2 Å²	52.2	71%	0.713	26%	0.256	S	S	*	.	H	α-helix	trans	-63.5	-39.4	175.1	-173.2	178	179	-178.4	0	112.2	R169 D170 V171 F175 D176	R169-K173 WeakPolarHBondContact O-CB 3.49Å; R169-K173 PolarHBondContact O-N 2.55Å; D170-K173 PolarHBondContact O-N 2.79Å; V171-K173 VanDerWaalsContact C-N 3.3Å; V171-K173 PolarHBondContact O-N 2.56Å; K173-F175 PolarHBondContact O-N 2.82Å; K173-D176 PolarHBondContact O-N 3.14Å
174	K	97.8	Very high	96.4	Very high	91 Å²	91	52.2 Å²	52.2	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-56.4	-36.1	174.4	175.2	-177.1	168.6	-174.9	0	112	E159 V161 D170 V171	E159-K174 PolarHBondContact O-NZ 3.17Å; E159-K174 IonicContact OE2-NZ 3.1Å; E159-K174 PolarHBondContact OE2-NZ 3.06Å; V161-K174 HydrophobicContact CG2-CD 4.17Å; D170-K174 WeakPolarHBondContact O-CB 3.49Å; D170-K174 PolarHBondContact O-N 3.06Å; V171-K174 WeakPolarHBondContact O-CB 3.5Å; V171-K174 PolarHBondContact O-N 2.85Å
175	F	97.5	Very high	96.5	Very high	22 Å²	22	47 Å²	47	10%	0.096	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3.1	178.2	-68.6	-81	0	0	0	114.3	R139 K142 F143 F146 V171 F172 K173 L177	R139-F175 WeakPolarHBondContact CB-O 3.47Å; R139-F175 WeakPolarHBondContact CD-O 3.12Å; K142-F175 HydrophobicContact CB-CD1 4.26Å; K142-F175 HydrophobicContact CB-CE1 4.32Å; F143-F175 HydrophobicContact CB-CB 4.27Å; F143-F175 HydrophobicContact CB-CD1 4.05Å; F143-F175 HydrophobicContact CB-CD2 4.23Å; F143-F175 HydrophobicContact CB-CG 3.91Å; F143-F175 AromaticContact CD2-CD2 3.7Å; F143-F175 HydrophobicContact CD2-CD2 3.7Å; F143-F175 AromaticContact CD2-CE2 3.98Å; F143-F175 HydrophobicContact CD2-CE2 3.98Å; F143-F175 HydrophobicContact CD2-CG 4.24Å; F143-F175 HydrophobicContact CG-CD2 4.45Å; F146-F175 HydrophobicContact CB-CE1 4.07Å; F146-F175 HydrophobicContact CB-CE2 4.19Å; F146-F175 HydrophobicContact CB-CZ 3.43Å; F146-F175 VanDerWaalsContact CB-CZ 3.43Å; F146-F175 AromaticContact CD1-CE2 3.65Å; F146-F175 HydrophobicContact CD1-CE2 3.65Å; F146-F175 AromaticContact CD1-CZ 3.76Å; F146-F175 HydrophobicContact CD1-CZ 3.76Å; F146-F175 HydrophobicContact CD2-CZ 4.09Å; F146-F175 HydrophobicContact CE1-CE2 4.17Å; F146-F175 AromaticContact CG-CE2 3.89Å; F146-F175 HydrophobicContact CG-CE2 3.89Å; F146-F175 AromaticContact CG-CZ 3.48Å; F146-F175 HydrophobicContact CG-CZ 3.48Å; F146-F175 VanDerWaalsContact CG-CZ 3.48Å; V171-F175 HydrophobicContact CG1-CD2 4.3Å; V171-F175 HydrophobicContact CG1-CE2 4.2Å; V171-F175 VanDerWaalsContact O-CD2 3.29Å; V171-F175 WeakPolarHBondContact O-CD2 3.47Å; V171-F175 PolarHBondContact O-N 3.23Å; F172-F175 CarbonylContact O-C 3.55Å; F172-F175 PolarHBondContact O-N 3.37Å; K173-F175 PolarHBondContact O-N 2.82Å; F175-L177 VanDerWaalsContact C-N 3.31Å; F175-L177 HydrophobicContact CB-CD1 4.32Å; F175-L177 HydrophobicContact CB-CD2 4.2Å; F175-L177 HydrophobicContact CB-CG 3.87Å; F175-L177 PolarHBondContact O-N 3.22Å
176	D	97.2	Very high	96.5	Very high	99 Å²	99	39.4 Å²	39.4	53%	0.529	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	47.3	-178.5	179.8	52.5	0	0	0	112	R139 F172 K173	R139-D176 WeakPolarHBondContact CD-OD2 3.47Å; R139-D176 VanDerWaalsContact CZ-O 3.29Å; R139-D176 IonicContact CZ-OD2 3.98Å; R139-D176 PolarHBondContact NE-O 3.08Å; R139-D176 IonicContact NE-OD2 2.72Å; R139-D176 PolarHBondContact NE-OD2 3.38Å; R139-D176 IonicContact NH1-OD2 2.76Å; R139-D176 PolarHBondContact NH1-OD2 3.45Å; R139-D176 PolarHBondContact NH2-O 2.82Å; R139-D176 IonicContact NH2-OD2 3.07Å; F172-D176 PolarHBondContact O-N 3.11Å; F172-D176 VanDerWaalsContact O-N 3.12Å; K173-D176 PolarHBondContact O-N 3.14Å
177	L	96.9	Very high	96.5	Very high	14 Å²	14	37.9 Å²	37.9	7%	0.073	19%	0.186	C	C	.	.			trans	-88.8	131	177.1	-56.6	-173.3	0	0	0	110.7	R139 F140 F143 F172 F175 V181	R139-L177 HydrophobicContact CB-CD2 3.87Å; F140-L177 HydrophobicContact CB-CD2 4.36Å; F140-L177 HydrophobicContact CD2-CD1 4.18Å; F143-L177 HydrophobicContact CB-CD1 4.08Å; F143-L177 HydrophobicContact CD1-CD1 4.2Å; F143-L177 HydrophobicContact CD2-CD1 4.39Å; F143-L177 HydrophobicContact CG-CD1 3.95Å; F172-L177 HydrophobicContact CD1-CD1 3.84Å; F172-L177 HydrophobicContact CE1-CD1 4.37Å; F172-L177 PolarHBondContact O-N 2.83Å; F175-L177 VanDerWaalsContact C-N 3.31Å; F175-L177 HydrophobicContact CB-CD1 4.32Å; F175-L177 HydrophobicContact CB-CD2 4.2Å; F175-L177 HydrophobicContact CB-CG 3.87Å; F175-L177 PolarHBondContact O-N 3.22Å; L177-V181 HydrophobicContact CB-CB 4.29Å; L177-V181 HydrophobicContact CB-CG1 4.12Å; L177-V181 HydrophobicContact CD1-CG1 3.95Å; L177-V181 HydrophobicContact CD2-CG1 4.31Å; L177-V181 HydrophobicContact CG-CG1 4.35Å
178	G	94.8	Very high	96.3	Very high	27 Å²	27	36.5 Å²	36.5	28%	0.278	18%	0.177	S	C	.	.			trans	-77.6	166.7	178.5	0	0	0	0	0	113.2	E136 D180 V181 I182	E136-G178 PolarHBondContact OE1-N 2.89Å; G178-D180 VanDerWaalsContact C-N 3.32Å; G178-D180 PolarHBondContact O-N 3.12Å; G178-V181 WeakPolarHBondContact O-CA 3.12Å; G178-V181 WeakPolarHBondContact O-CB 3.46Å; G178-V181 PolarHBondContact O-N 3.36Å; G178-I182 WeakPolarHBondContact O-CG1 3.28Å; G178-I182 PolarHBondContact O-N 3.32Å
179	Q	93.2	Very high	96.2	Very high	94 Å²	94	36.6 Å²	36.6	44%	0.439	18%	0.178	S	C	.	.	H	α-helix	trans	-55.2	-43.3	-176.5	-172.1	62.2	47	0	0	113.1	V181 I182 D183	Q179-V181 PolarHBondContact O-N 2.86Å; Q179-I182 WeakPolarHBondContact O-CB 3.36Å; Q179-I182 PolarHBondContact O-N 3.37Å; Q179-I182 VanDerWaalsContact O-N 3.13Å; Q179-D183 PolarHBondContact NE2-OD1 3.2Å; Q179-D183 PolarHBondContact O-N 3.19Å
180	D	91.7	Very high	96.1	Very high	47 Å²	47	31.8 Å²	31.8	25%	0.251	16%	0.16	S	C	.	.	H	α-helix	trans	-58.3	-32.9	177.6	-77.4	-15.5	0	0	0	112.4	K112 G178 F184	K112-D180 WeakPolarHBondContact CE-OD2 3.44Å; K112-D180 IonicContact NZ-OD2 2.81Å; K112-D180 PolarHBondContact NZ-OD2 3.47Å; G178-D180 VanDerWaalsContact C-N 3.32Å; G178-D180 PolarHBondContact O-N 3.12Å; D180-F184 VanDerWaalsContact O-CD1 3.24Å; D180-F184 WeakPolarHBondContact O-CD1 3.33Å; D180-F184 PolarHBondContact O-N 3.12Å
181	V	94.3	Very high	95.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-77.1	-41.5	177.7	178.9	0	0	0	0	111.2	M132 E136 F140 L177 G178 Q179 D183 F184 T185	M132-V181 HydrophobicContact CG-CG2 3.78Å; M132-V181 HydrophobicContact SD-CG1 4.48Å; M132-V181 HydrophobicContact SD-CG2 3.92Å; E136-V181 HydrophobicContact CG-CG2 3.6Å; E136-V181 VanDerWaalsContact OE1-CG2 3.32Å; E136-V181 WeakPolarHBondContact OE1-CG2 3.41Å; F140-V181 HydrophobicContact CD2-CG1 3.5Å; F140-V181 VanDerWaalsContact CD2-CG1 3.5Å; F140-V181 HydrophobicContact CE2-CG1 3.97Å; F140-V181 HydrophobicContact CG-CG1 4.23Å; L177-V181 HydrophobicContact CB-CB 4.29Å; L177-V181 HydrophobicContact CB-CG1 4.12Å; L177-V181 HydrophobicContact CD1-CG1 3.95Å; L177-V181 HydrophobicContact CD2-CG1 4.31Å; L177-V181 HydrophobicContact CG-CG1 4.35Å; G178-V181 WeakPolarHBondContact O-CA 3.12Å; G178-V181 WeakPolarHBondContact O-CB 3.46Å; G178-V181 PolarHBondContact O-N 3.36Å; Q179-V181 PolarHBondContact O-N 2.86Å; V181-D183 VanDerWaalsContact C-N 3.31Å; V181-F184 VanDerWaalsContact CA-CE1 3.46Å; V181-F184 HydrophobicContact CB-CE1 3.94Å; V181-F184 HydrophobicContact CB-CZ 4.42Å; V181-F184 HydrophobicContact CG1-CE1 3.85Å; V181-F184 HydrophobicContact CG1-CZ 3.81Å; V181-F184 HydrophobicContact CG2-CE1 3.96Å; V181-T185 WeakPolarHBondContact O-CB 3.46Å; V181-T185 PolarHBondContact O-N 3.34Å; V181-T185 PolarHBondContact O-OG1 3.25Å
182	I	95.9	Very high	95.8	Very high	18 Å²	18	30.1 Å²	30.1	9%	0.092	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-47.7	174.9	-66.8	174.1	0	0	0	109.6	F172 G178 Q179 T185 G186 Y197 L198	F172-I182 HydrophobicContact CB-CD1 3.96Å; F172-I182 HydrophobicContact CB-CG1 4.03Å; F172-I182 HydrophobicContact CD1-CG1 4.42Å; F172-I182 HydrophobicContact CD2-CB 4.34Å; F172-I182 HydrophobicContact CD2-CD1 4.09Å; F172-I182 HydrophobicContact CD2-CG1 3.73Å; F172-I182 HydrophobicContact CD2-CG2 3.92Å; F172-I182 HydrophobicContact CE2-CB 4.37Å; F172-I182 HydrophobicContact CE2-CG1 4.2Å; F172-I182 HydrophobicContact CE2-CG2 3.77Å; F172-I182 HydrophobicContact CG-CD1 4.23Å; F172-I182 HydrophobicContact CG-CG1 3.84Å; G178-I182 WeakPolarHBondContact O-CG1 3.28Å; G178-I182 PolarHBondContact O-N 3.32Å; Q179-I182 WeakPolarHBondContact O-CB 3.36Å; Q179-I182 PolarHBondContact O-N 3.37Å; Q179-I182 VanDerWaalsContact O-N 3.13Å; I182-T185 PolarHBondContact O-N 3.25Å; I182-G186 PolarHBondContact O-N 2.81Å; I182-Y197 PolarHBondContact O-OH 3.02Å; I182-L198 HydrophobicContact CG2-CD1 4.39Å; I182-L198 HydrophobicContact CG2-CD2 3.7Å
183	D	93.5	Very high	95.4	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-53.5	-59.3	177.8	-73.5	-2.8	0	0	0	111	Q179 V181 T185 H187 P322 N324 Q325	Q179-D183 PolarHBondContact NE2-OD1 3.2Å; Q179-D183 PolarHBondContact O-N 3.19Å; V181-D183 VanDerWaalsContact C-N 3.31Å; D183-T185 VanDerWaalsContact C-N 3.28Å; D183-T185 PolarHBondContact O-N 3.32Å; D183-H187 VanDerWaalsContact O-CB 3.26Å; D183-H187 WeakPolarHBondContact O-CB 3.46Å; D183-H187 PolarHBondContact O-CD2 3.3Å; D183-H187 PolarHBondContact O-N 2.84Å; D183-P322 HydrophobicContact CB-CB 4.36Å; D183-N324 PolarHBondContact OD1-ND2 3.46Å; D183-N324 WeakPolarHBondContact OD2-CB 3.48Å; D183-Q325 PolarHBondContact OD2-NE2 2.89Å; D183-Q325 VanDerWaalsContact OD2-NE2 3.11Å
184	F	94.4	Very high	95	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.022	15%	0.146	C	C	.	.	H	α-helix	trans	-69.5	-27.6	-177.1	81.4	-109.2	0	0	0	112.7	V110 P120 L131 M132 F140 D180 V181 S188 L189	V110-F184 HydrophobicContact CB-CB 4.4Å; V110-F184 HydrophobicContact CG1-CB 4.05Å; V110-F184 HydrophobicContact CG2-CB 3.89Å; P120-F184 HydrophobicContact CG-CE2 3.99Å; P120-F184 HydrophobicContact CG-CZ 4.2Å; L131-F184 HydrophobicContact CD1-CD1 4.35Å; L131-F184 HydrophobicContact CD1-CG 4.5Å; M132-F184 HydrophobicContact CE-CE1 4.22Å; M132-F184 HydrophobicContact CE-CZ 3.79Å; M132-F184 HydrophobicContact CG-CE1 4.12Å; M132-F184 HydrophobicContact SD-CE1 4.01Å; M132-F184 HydrophobicContact SD-CZ 3.84Å; F140-F184 HydrophobicContact CD1-CZ 4.23Å; F140-F184 HydrophobicContact CD2-CZ 4.21Å; F140-F184 AromaticContact CE1-CE2 3.87Å; F140-F184 HydrophobicContact CE1-CE2 3.87Å; F140-F184 AromaticContact CE1-CZ 3.89Å; F140-F184 HydrophobicContact CE1-CZ 3.89Å; F140-F184 AromaticContact CE2-CE2 3.9Å; F140-F184 HydrophobicContact CE2-CE2 3.9Å; F140-F184 AromaticContact CE2-CZ 3.9Å; F140-F184 HydrophobicContact CE2-CZ 3.9Å; F140-F184 HydrophobicContact CG-CZ 4.38Å; F140-F184 AromaticContact CZ-CE2 3.45Å; F140-F184 HydrophobicContact CZ-CE2 3.45Å; F140-F184 VanDerWaalsContact CZ-CE2 3.45Å; F140-F184 AromaticContact CZ-CZ 3.73Å; F140-F184 HydrophobicContact CZ-CZ 3.73Å; D180-F184 VanDerWaalsContact O-CD1 3.24Å; D180-F184 WeakPolarHBondContact O-CD1 3.33Å; D180-F184 PolarHBondContact O-N 3.12Å; V181-F184 VanDerWaalsContact CA-CE1 3.46Å; V181-F184 HydrophobicContact CB-CE1 3.94Å; V181-F184 HydrophobicContact CB-CZ 4.42Å; V181-F184 HydrophobicContact CG1-CE1 3.85Å; V181-F184 HydrophobicContact CG1-CZ 3.81Å; V181-F184 HydrophobicContact CG2-CE1 3.96Å; F184-S188 VanDerWaalsContact O-CA 3.3Å; F184-S188 WeakPolarHBondContact O-CA 3.27Å; F184-S188 WeakPolarHBondContact O-CB 3.42Å; F184-S188 PolarHBondContact O-N 2.6Å; F184-L189 PolarHBondContact O-N 3.19Å
185	T	96.4	Very high	94.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	I	π-helix	trans	-71	-50.6	178.8	-58.6	0	0	0	0	110.8	F140 F143 F172 V181 I182 D183 L189 A190 I209	F140-T185 HydrophobicContact CE2-CG2 4.5Å; F140-T185 VanDerWaalsContact CE2-OG1 3.31Å; F140-T185 WeakPolarHBondContact CE2-OG1 3.34Å; F143-T185 HydrophobicContact CE1-CG2 3.79Å; F143-T185 HydrophobicContact CZ-CG2 4.21Å; F172-T185 HydrophobicContact CE1-CG2 3.81Å; F172-T185 HydrophobicContact CZ-CG2 3.87Å; V181-T185 WeakPolarHBondContact O-CB 3.46Å; V181-T185 PolarHBondContact O-N 3.34Å; V181-T185 PolarHBondContact O-OG1 3.25Å; I182-T185 PolarHBondContact O-N 3.25Å; D183-T185 VanDerWaalsContact C-N 3.28Å; D183-T185 PolarHBondContact O-N 3.32Å; T185-L189 HydrophobicContact CG2-CD1 4.25Å; T185-L189 VanDerWaalsContact O-CB 3.32Å; T185-L189 WeakPolarHBondContact O-CB 3.13Å; T185-L189 PolarHBondContact O-N 3.34Å; T185-L189 VanDerWaalsContact O-N 3.16Å; T185-A190 PolarHBondContact O-N 2.91Å; T185-I209 HydrophobicContact CG2-CD1 3.74Å; T185-I209 HydrophobicContact CG2-CG1 4.43Å
186	G	96.9	Very high	94.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-64.3	-47.4	178.1	0	0	0	0	0	112.7	I182 A190 L191 Y192 Y197	I182-G186 PolarHBondContact O-N 2.81Å; G186-A190 CarbonylContact O-C 3.52Å; G186-A190 WeakPolarHBondContact O-CB 3.3Å; G186-L191 PolarHBondContact O-N 2.98Å; G186-Y192 PolarHBondContact O-N 3.06Å; G186-Y197 VanDerWaalsContact CA-OH 3.29Å; G186-Y197 WeakPolarHBondContact CA-OH 3.42Å
187	H	96.6	Very high	94.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-87.2	-31.1	-170.9	-66.1	-94.3	0	0	0	113.2	D183 L191 Y192 D195 I320 P322 D331	D183-H187 VanDerWaalsContact O-CB 3.26Å; D183-H187 WeakPolarHBondContact O-CB 3.46Å; D183-H187 PolarHBondContact O-CD2 3.3Å; D183-H187 PolarHBondContact O-N 2.84Å; H187-L191 WeakPolarHBondContact O-CA 3.47Å; H187-Y192 PolarHBondContact ND1-O 3.33Å; H187-D195 IonicContact NE2-OD1 2.74Å; H187-D195 PolarHBondContact NE2-OD1 3.31Å; H187-I320 HydrophobicContact CB-CG2 4.31Å; H187-I320 WeakPolarHBondContact O-CD1 3.49Å; H187-P322 HydrophobicContact CB-CB 4.24Å; H187-P322 HydrophobicContact CB-CG 4.19Å; H187-D331 IonicContact CE1-OD1 3.64Å; H187-D331 PolarHBondContact CE1-OD1 2.88Å; H187-D331 IonicContact CE1-OD2 3.61Å; H187-D331 IonicContact CG-OD1 2.77Å; H187-D331 IonicContact CG-OD2 3.05Å; H187-D331 IonicContact ND1-OD1 3.33Å; H187-D331 PolarHBondContact ND1-OD1 2.83Å; H187-D331 IonicContact ND1-OD2 3.91Å; H187-D331 PolarHBondContact ND1-OD2 3.14Å
188	S	95.4	Very high	94.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	I	π-helix	trans	-108.8	-21.6	-175.6	-46.7	0	0	0	0	115.5	V110 F184 L191 Y212	V110-S188 VanDerWaalsContact CG2-OG 3.28Å; V110-S188 WeakPolarHBondContact CG2-OG 3.38Å; F184-S188 VanDerWaalsContact O-CA 3.3Å; F184-S188 WeakPolarHBondContact O-CA 3.27Å; F184-S188 WeakPolarHBondContact O-CB 3.42Å; F184-S188 PolarHBondContact O-N 2.6Å; S188-L191 WeakPolarHBondContact O-CD2 3.32Å; S188-Y212 WeakPolarHBondContact O-CE2 3.45Å
189	L	95.7	Very high	94.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.149	C	C	.	.	I	π-helix	trans	-99.8	-52.4	171.2	-62.7	174.4	0	0	0	111.3	V119 F140 L144 F184 T185 L191 I209 Y212	V119-L189 HydrophobicContact CG1-CD2 3.52Å; V119-L189 HydrophobicContact CG1-CG 4.04Å; F140-L189 HydrophobicContact CZ-CD1 3.88Å; L144-L189 HydrophobicContact CD2-CD1 4.44Å; F184-L189 PolarHBondContact O-N 3.19Å; T185-L189 HydrophobicContact CG2-CD1 4.25Å; T185-L189 VanDerWaalsContact O-CB 3.32Å; T185-L189 WeakPolarHBondContact O-CB 3.13Å; T185-L189 PolarHBondContact O-N 3.34Å; T185-L189 VanDerWaalsContact O-N 3.16Å; L189-L191 VanDerWaalsContact C-N 3.31Å; L189-I209 HydrophobicContact CB-CG1 4.25Å; L189-I209 HydrophobicContact CB-CG2 4.39Å; L189-I209 HydrophobicContact CD1-CG2 4.42Å; L189-Y212 HydrophobicContact CD2-CD1 3.45Å; L189-Y212 VanDerWaalsContact CD2-CD1 3.45Å; L189-Y212 HydrophobicContact CD2-CD2 4.2Å; L189-Y212 HydrophobicContact CD2-CE1 3.47Å; L189-Y212 VanDerWaalsContact CD2-CE1 3.47Å; L189-Y212 HydrophobicContact CD2-CE2 4.19Å; L189-Y212 HydrophobicContact CD2-CG 3.86Å; L189-Y212 WeakPolarHBondContact O-CB 3.36Å; L189-Y212 WeakPolarHBondContact O-CD2 3.33Å
190	A	96.3	Very high	95.2	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.017	15%	0.152	C	C	.	.	S	Bend	trans	-81.8	-11.7	-180	0	0	0	0	0	113.7	T185 G186 Y192 R208 I209	T185-A190 PolarHBondContact O-N 2.91Å; G186-A190 CarbonylContact O-C 3.52Å; G186-A190 WeakPolarHBondContact O-CB 3.3Å; A190-Y192 HydrophobicContact CB-CD2 3.57Å; A190-Y192 HydrophobicContact CB-CE2 3.6Å; A190-Y192 PolarHBondContact O-N 3.44Å; A190-R208 HydrophobicContact CB-CB 4.02Å; A190-R208 WeakPolarHBondContact O-CD 3.43Å; A190-R208 PolarHBondContact O-NH1 2.96Å; A190-R208 VanDerWaalsContact O-NH1 3.09Å; A190-I209 HydrophobicContact CB-CG1 3.86Å
191	L	95.5	Very high	95.5	Very high	15 Å²	15	32 Å²	32	8%	0.079	16%	0.159	C	C	.	.			trans	55.8	36.8	176.5	-53	178.6	0	0	0	113.4	M82 G186 H187 S188 L189 Y224 I320	M82-L191 HydrophobicContact CE-CD1 3.41Å; M82-L191 VanDerWaalsContact CE-CD1 3.41Å; G186-L191 PolarHBondContact O-N 2.98Å; H187-L191 WeakPolarHBondContact O-CA 3.47Å; S188-L191 WeakPolarHBondContact O-CD2 3.32Å; L189-L191 VanDerWaalsContact C-N 3.31Å; L191-Y224 HydrophobicContact CD1-CE1 4.28Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.46Å; L191-I320 HydrophobicContact CD2-CD1 3.7Å
192	Y	94.8	Very high	95.6	Very high	28 Å²	28	32 Å²	32	11%	0.11	16%	0.159	C	C	.	.			trans	-74.6	148.7	168.2	-70.3	-68.6	0	0	0	110.6	G186 H187 A190 Y197 D204 S205 R208	G186-Y192 PolarHBondContact O-N 3.06Å; H187-Y192 PolarHBondContact ND1-O 3.33Å; A190-Y192 HydrophobicContact CB-CD2 3.57Å; A190-Y192 HydrophobicContact CB-CE2 3.6Å; A190-Y192 PolarHBondContact O-N 3.44Å; Y192-Y197 HydrophobicContact CD1-CG 4.32Å; Y192-Y197 AromaticContact CD2-CD1 3.58Å; Y192-Y197 HydrophobicContact CD2-CD1 3.58Å; Y192-Y197 AromaticContact CD2-CD2 3.62Å; Y192-Y197 HydrophobicContact CD2-CD2 3.62Å; Y192-Y197 HydrophobicContact CD2-CE1 4.17Å; Y192-Y197 HydrophobicContact CD2-CE2 4.18Å; Y192-Y197 AromaticContact CD2-CG 3.28Å; Y192-Y197 HydrophobicContact CD2-CG 3.28Å; Y192-Y197 HydrophobicContact CE1-CG 4.49Å; Y192-Y197 VanDerWaalsContact CE2-CB 3.48Å; Y192-Y197 HydrophobicContact CE2-CD1 4.24Å; Y192-Y197 AromaticContact CE2-CD2 3.53Å; Y192-Y197 HydrophobicContact CE2-CD2 3.53Å; Y192-Y197 HydrophobicContact CE2-CE2 4.35Å; Y192-Y197 AromaticContact CE2-CG 3.47Å; Y192-Y197 HydrophobicContact CE2-CG 3.47Å; Y192-Y197 VanDerWaalsContact CE2-CG 3.47Å; Y192-Y197 AromaticContact CG-CD1 3.75Å; Y192-Y197 HydrophobicContact CG-CD1 3.75Å; Y192-Y197 AromaticContact CG-CG 3.75Å; Y192-Y197 HydrophobicContact CG-CG 3.75Å; Y192-D204 PolarHBondContact OH-OD2 3.09Å; Y192-S205 VanDerWaalsContact CE2-OG 3.32Å; Y192-S205 WeakPolarHBondContact CE2-OG 3.22Å; Y192-S205 WeakPolarHBondContact OH-CA 3.36Å; Y192-S205 PolarHBondContact OH-N 3.18Å; Y192-S205 PolarHBondContact OH-OG 3.37Å; Y192-R208 VanDerWaalsContact CZ-CD 3.46Å; Y192-R208 WeakPolarHBondContact OH-CD 3.31Å
193	R	90.2	Very high	95.7	Very high	118 Å²	118	32.4 Å²	32.4	45%	0.445	16%	0.161	S	C	.	.	S	Bend	trans	-91.5	-20.6	-179.6	-59	174.8	-65.1	-174.1	4.3	112.8	Q323 D405 T407	R193-Q323 PolarHBondContact O-OE1 2.88Å; R193-D405 IonicContact CZ-OD2 3.93Å; R193-D405 IonicContact NH1-OD2 2.66Å; R193-D405 PolarHBondContact NH1-OD2 3.24Å; R193-T407 HydrophobicContact CG-CG2 3.68Å
194	T	90	Very high	95.8	Very high	35 Å²	35	36 Å²	36	22%	0.215	18%	0.18	C	C	.	.	S	Bend	trans	-145.7	162	-175.2	64.8	0	0	0	0	109.7	E196 Y197	T194-E196 PolarHBondContact O-N 3.4Å; T194-Y197 WeakPolarHBondContact O-CD1 3.45Å
195	D	95.6	Very high	95.9	Very high	35 Å²	35	35.8 Å²	35.8	19%	0.187	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-77.6	7.3	179.4	-85.3	-33.7	0	0	0	114.7	H187 Y197 L198 N324	H187-D195 IonicContact NE2-OD1 2.74Å; H187-D195 PolarHBondContact NE2-OD1 3.31Å; D195-Y197 PolarHBondContact O-N 3.32Å; D195-L198 HydrophobicContact CB-CD1 3.9Å; D195-L198 HydrophobicContact CB-CG 4.45Å; D195-L198 VanDerWaalsContact O-CB 3.32Å; D195-L198 WeakPolarHBondContact O-CB 3.48Å; D195-L198 WeakPolarHBondContact O-CG 3.5Å; D195-L198 PolarHBondContact O-N 3.24Å; D195-L198 VanDerWaalsContact O-N 3.09Å; D195-N324 PolarHBondContact OD2-ND2 2.69Å
196	E	94.9	Very high	95.9	Very high	145 Å²	145	35.9 Å²	35.9	68%	0.678	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-58.4	-31.5	-179.9	-70.1	176.9	-168.6	0	0	112.6	T194 L198 D199	T194-E196 PolarHBondContact O-N 3.4Å; E196-L198 PolarHBondContact O-N 2.94Å; E196-L198 VanDerWaalsContact O-N 3.12Å; E196-D199 PolarHBondContact O-N 2.86Å
197	Y	96.6	Very high	95.9	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.016	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-60.1	-22.6	178.5	79.8	-80.9	0	0	0	113.7	M168 F172 I182 G186 Y192 T194 D195 D199 L200	M168-Y197 HydrophobicContact CB-CD2 4.09Å; M168-Y197 HydrophobicContact CB-CE2 4.37Å; M168-Y197 HydrophobicContact CG-CD2 3.92Å; M168-Y197 HydrophobicContact CG-CE2 3.85Å; F172-Y197 AromaticContact CE2-CE2 3.81Å; F172-Y197 HydrophobicContact CE2-CE2 3.81Å; F172-Y197 HydrophobicContact CZ-CE2 4.26Å; I182-Y197 PolarHBondContact O-OH 3.02Å; G186-Y197 VanDerWaalsContact CA-OH 3.29Å; G186-Y197 WeakPolarHBondContact CA-OH 3.42Å; Y192-Y197 HydrophobicContact CD1-CG 4.32Å; Y192-Y197 AromaticContact CD2-CD1 3.58Å; Y192-Y197 HydrophobicContact CD2-CD1 3.58Å; Y192-Y197 AromaticContact CD2-CD2 3.62Å; Y192-Y197 HydrophobicContact CD2-CD2 3.62Å; Y192-Y197 HydrophobicContact CD2-CE1 4.17Å; Y192-Y197 HydrophobicContact CD2-CE2 4.18Å; Y192-Y197 AromaticContact CD2-CG 3.28Å; Y192-Y197 HydrophobicContact CD2-CG 3.28Å; Y192-Y197 HydrophobicContact CE1-CG 4.49Å; Y192-Y197 VanDerWaalsContact CE2-CB 3.48Å; Y192-Y197 HydrophobicContact CE2-CD1 4.24Å; Y192-Y197 AromaticContact CE2-CD2 3.53Å; Y192-Y197 HydrophobicContact CE2-CD2 3.53Å; Y192-Y197 HydrophobicContact CE2-CE2 4.35Å; Y192-Y197 AromaticContact CE2-CG 3.47Å; Y192-Y197 HydrophobicContact CE2-CG 3.47Å; Y192-Y197 VanDerWaalsContact CE2-CG 3.47Å; Y192-Y197 AromaticContact CG-CD1 3.75Å; Y192-Y197 HydrophobicContact CG-CD1 3.75Å; Y192-Y197 AromaticContact CG-CG 3.75Å; Y192-Y197 HydrophobicContact CG-CG 3.75Å; T194-Y197 WeakPolarHBondContact O-CD1 3.45Å; D195-Y197 PolarHBondContact O-N 3.32Å; Y197-D199 PolarHBondContact O-N 2.8Å; Y197-L200 PolarHBondContact O-N 3.28Å
198	L	97.9	Very high	95.8	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.5	-34.7	-179	-69.9	176.8	0	0	0	112	T167 M168 R169 F172 I182 D195 E196	T167-L198 WeakPolarHBondContact CB-O 3.33Å; M168-L198 PolarHBondContact N-O 3.29Å; R169-L198 HydrophobicContact CB-CB 4.31Å; R169-L198 WeakPolarHBondContact CB-O 3.19Å; R169-L198 PolarHBondContact N-O 3.33Å; F172-L198 HydrophobicContact CD2-CD2 3.79Å; F172-L198 HydrophobicContact CE2-CD2 3.68Å; I182-L198 HydrophobicContact CG2-CD1 4.39Å; I182-L198 HydrophobicContact CG2-CD2 3.7Å; D195-L198 HydrophobicContact CB-CD1 3.9Å; D195-L198 HydrophobicContact CB-CG 4.45Å; D195-L198 VanDerWaalsContact O-CB 3.32Å; D195-L198 WeakPolarHBondContact O-CB 3.48Å; D195-L198 WeakPolarHBondContact O-CG 3.5Å; D195-L198 PolarHBondContact O-N 3.24Å; D195-L198 VanDerWaalsContact O-N 3.09Å; E196-L198 PolarHBondContact O-N 2.94Å; E196-L198 VanDerWaalsContact O-N 3.12Å
199	D	98	Very high	95.9	Very high	100 Å²	100	41.5 Å²	41.5	54%	0.535	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-102.9	7.4	-176	-58.8	-49.8	0	0	0	112.6	R169 E196 Y197	R169-D199 IonicContact CZ-OD1 3.8Å; R169-D199 IonicContact CZ-OD2 3.4Å; R169-D199 IonicContact NE-OD1 3.74Å; R169-D199 PolarHBondContact NE-OD1 3.12Å; R169-D199 VanDerWaalsContact NH2-CG 3.3Å; R169-D199 IonicContact NH2-OD1 3.77Å; R169-D199 PolarHBondContact NH2-OD1 3.05Å; R169-D199 IonicContact NH2-OD2 2.71Å; R169-D199 PolarHBondContact NH2-OD2 2.77Å; E196-D199 PolarHBondContact O-N 2.86Å; Y197-D199 PolarHBondContact O-N 2.8Å
200	L	97.8	Very high	95.8	Very high	97 Å²	97	44.4 Å²	44.4	51%	0.508	22%	0.219	S	C	.	.	S	Bend	trans	-94.6	159.5	172	-63.4	-179	0	0	0	111.5	T167 M168 Y197 C202	T167-L200 VanDerWaalsContact CA-O 3.29Å; T167-L200 WeakPolarHBondContact CA-O 3.36Å; M168-L200 PolarHBondContact N-O 2.99Å; M168-L200 VanDerWaalsContact N-O 3.17Å; Y197-L200 PolarHBondContact O-N 3.28Å; L200-C202 PolarHBondContact O-N 2.9Å
201	P	98.1	Very high	95.7	Very high	60 Å²	60	46 Å²	46	39%	0.39	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-52.8	136.4	172	-26.6	35.6	0	0	0	112.5	P163 M203	P163-P201 WeakPolarHBondContact O-CB 3.29Å; P201-M203 PolarHBondContact O-N 3.28Å
202	C	97.8	Very high	95.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-71.5	-12.7	-168.8	68.7	0	0	0	0	114.8	V161 P163 T166 M168 V171 L200 D204 S205 L206	V161-C202 VanDerWaalsContact CG1-SG 3.58Å; P163-C202 PolarHBondContact O-N 3.24Å; T166-C202 PolarHBondContact O-N 3.14Å; M168-C202 HydrophobicContact CB-CB 4.34Å; M168-C202 HydrophobicContact SD-CB 3.77Å; V171-C202 HydrophobicContact CG2-CB 3.7Å; L200-C202 PolarHBondContact O-N 2.9Å; C202-D204 PolarHBondContact O-N 3.37Å; C202-S205 PolarHBondContact O-N 3.13Å; C202-S205 VanDerWaalsContact O-N 3.17Å; C202-L206 HydrophobicContact CB-CD1 4.34Å; C202-L206 HydrophobicContact CB-CG 4.37Å; C202-L206 VanDerWaalsContact O-CG 3.29Å; C202-L206 WeakPolarHBondContact O-CG 3.29Å; C202-L206 PolarHBondContact O-N 3.47Å
203	M	96.8	Very high	95.6	Very high	28 Å²	28	45.7 Å²	45.7	14%	0.138	23%	0.23	C	C	.	.	H	α-helix	trans	-52.5	-50.9	-174.5	-170.3	60.2	-174.5	0	0	113.2	F150 E152 P163 P201 S205 L206 N207	F150-M203 HydrophobicContact CE1-SD 3.9Å; E152-M203 HydrophobicContact CB-CE 3.97Å; E152-M203 HydrophobicContact CB-SD 4.49Å; E152-M203 HydrophobicContact CG-CE 4.09Å; E152-M203 WeakPolarHBondContact OE2-CE 3.35Å; P163-M203 HydrophobicContact CB-CB 3.97Å; P163-M203 HydrophobicContact CB-CG 4.32Å; P163-M203 HydrophobicContact CB-SD 3.66Å; P163-M203 HydrophobicContact CG-SD 4.39Å; P163-M203 WeakPolarHBondContact O-CB 3.46Å; P163-M203 PolarHBondContact O-N 2.98Å; P201-M203 PolarHBondContact O-N 3.28Å; M203-S205 VanDerWaalsContact C-N 3.35Å; M203-S205 PolarHBondContact O-N 2.8Å; M203-L206 PolarHBondContact O-N 3.31Å; M203-N207 WeakPolarHBondContact CE-ND2 3.31Å; M203-N207 WeakPolarHBondContact O-CB 3.44Å; M203-N207 PolarHBondContact O-N 2.87Å; M203-N207 PolarHBondContact O-ND2 3.17Å
204	D	95.2	Very high	95.7	Very high	79 Å²	79	44.4 Å²	44.4	42%	0.422	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-42.7	-178.9	-176.9	56.3	0	0	0	111.2	Y192 C202 L206 N207 R208	Y192-D204 PolarHBondContact OH-OD2 3.09Å; C202-D204 PolarHBondContact O-N 3.37Å; D204-L206 PolarHBondContact O-N 3.34Å; D204-N207 PolarHBondContact O-N 2.93Å; D204-R208 WeakPolarHBondContact O-CB 3.32Å; D204-R208 VanDerWaalsContact O-CG 3.29Å; D204-R208 WeakPolarHBondContact O-CG 3.38Å; D204-R208 PolarHBondContact O-N 3.25Å; D204-R208 IonicContact OD1-NE 3.52Å; D204-R208 WeakPolarHBondContact OD2-CD 3.36Å; D204-R208 IonicContact OD2-CZ 3.87Å; D204-R208 IonicContact OD2-NE 2.77Å; D204-R208 PolarHBondContact OD2-NE 3.12Å
205	S	97.3	Very high	96	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-43.3	178.2	-55.8	0	0	0	0	112.1	M168 Y192 C202 M203 R208 I209	M168-S205 VanDerWaalsContact SD-CB 3.58Å; Y192-S205 VanDerWaalsContact CE2-OG 3.32Å; Y192-S205 WeakPolarHBondContact CE2-OG 3.22Å; Y192-S205 WeakPolarHBondContact OH-CA 3.36Å; Y192-S205 PolarHBondContact OH-N 3.18Å; Y192-S205 PolarHBondContact OH-OG 3.37Å; C202-S205 PolarHBondContact O-N 3.13Å; C202-S205 VanDerWaalsContact O-N 3.17Å; M203-S205 VanDerWaalsContact C-N 3.35Å; M203-S205 PolarHBondContact O-N 2.8Å; S205-R208 PolarHBondContact O-N 3.06Å; S205-I209 WeakPolarHBondContact O-CD1 3.4Å; S205-I209 VanDerWaalsContact O-CG1 3.22Å; S205-I209 WeakPolarHBondContact O-CG1 3.32Å; S205-I209 PolarHBondContact O-N 3.11Å
206	L	97.2	Very high	95.8	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-44.6	176.3	-66.4	175.8	0	0	0	111	F146 V147 F150 M168 C202 M203 D204 I209 K210	F146-L206 HydrophobicContact CD1-CD2 4.48Å; F146-L206 HydrophobicContact CE1-CD1 4.31Å; F146-L206 HydrophobicContact CE1-CD2 3.89Å; V147-L206 HydrophobicContact CG2-CD2 3.82Å; F150-L206 HydrophobicContact CD1-CD1 4.16Å; F150-L206 HydrophobicContact CD2-CD1 3.89Å; F150-L206 HydrophobicContact CE1-CD1 4.08Å; F150-L206 HydrophobicContact CE2-CD1 3.79Å; F150-L206 HydrophobicContact CG-CD1 4.09Å; F150-L206 HydrophobicContact CZ-CD1 3.9Å; M168-L206 HydrophobicContact CE-CD2 4.4Å; M168-L206 HydrophobicContact SD-CD2 4.47Å; C202-L206 HydrophobicContact CB-CD1 4.34Å; C202-L206 HydrophobicContact CB-CG 4.37Å; C202-L206 VanDerWaalsContact O-CG 3.29Å; C202-L206 WeakPolarHBondContact O-CG 3.29Å; C202-L206 PolarHBondContact O-N 3.47Å; M203-L206 PolarHBondContact O-N 3.31Å; D204-L206 PolarHBondContact O-N 3.34Å; L206-I209 PolarHBondContact O-N 3.01Å; L206-K210 VanDerWaalsContact O-CB 3.32Å; L206-K210 WeakPolarHBondContact O-CB 3.48Å; L206-K210 PolarHBondContact O-N 2.94Å
207	N	95.6	Very high	95.6	Very high	73 Å²	73	38.6 Å²	38.6	39%	0.39	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-41.8	177.1	-75.2	-22	0	0	0	112.5	M203 D204 K210 L211	M203-N207 WeakPolarHBondContact CE-ND2 3.31Å; M203-N207 WeakPolarHBondContact O-CB 3.44Å; M203-N207 PolarHBondContact O-N 2.87Å; M203-N207 PolarHBondContact O-ND2 3.17Å; D204-N207 PolarHBondContact O-N 2.93Å; N207-K210 PolarHBondContact O-N 2.88Å; N207-L211 VanDerWaalsContact O-CB 3.28Å; N207-L211 WeakPolarHBondContact O-CB 3.44Å; N207-L211 PolarHBondContact O-N 2.96Å
208	R	95.9	Very high	95.3	Very high	44 Å²	44	45.1 Å²	45.1	17%	0.166	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-43.7	176.4	-74.4	165.3	168.1	-103.8	-5.3	112.2	A190 Y192 D204 S205 L211 Y212	A190-R208 HydrophobicContact CB-CB 4.02Å; A190-R208 WeakPolarHBondContact O-CD 3.43Å; A190-R208 PolarHBondContact O-NH1 2.96Å; A190-R208 VanDerWaalsContact O-NH1 3.09Å; Y192-R208 VanDerWaalsContact CZ-CD 3.46Å; Y192-R208 WeakPolarHBondContact OH-CD 3.31Å; D204-R208 WeakPolarHBondContact O-CB 3.32Å; D204-R208 VanDerWaalsContact O-CG 3.29Å; D204-R208 WeakPolarHBondContact O-CG 3.38Å; D204-R208 PolarHBondContact O-N 3.25Å; D204-R208 IonicContact OD1-NE 3.52Å; D204-R208 WeakPolarHBondContact OD2-CD 3.36Å; D204-R208 IonicContact OD2-CZ 3.87Å; D204-R208 IonicContact OD2-NE 2.77Å; D204-R208 PolarHBondContact OD2-NE 3.12Å; S205-R208 PolarHBondContact O-N 3.06Å; R208-L211 WeakPolarHBondContact O-CB 3.49Å; R208-L211 PolarHBondContact O-N 3.41Å; R208-Y212 PolarHBondContact O-N 2.91Å
209	I	96.3	Very high	94.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-43.1	176.9	-62.7	165.2	0	0	0	110.2	F143 V147 M168 T185 L189 A190 S205 L206 Y212 S213	F143-I209 HydrophobicContact CE1-CD1 4.14Å; F143-I209 HydrophobicContact CZ-CD1 3.74Å; V147-I209 HydrophobicContact CG1-CB 4.04Å; V147-I209 HydrophobicContact CG1-CG2 3.83Å; V147-I209 HydrophobicContact CG2-CG2 4.38Å; M168-I209 HydrophobicContact CE-CD1 4.21Å; T185-I209 HydrophobicContact CG2-CD1 3.74Å; T185-I209 HydrophobicContact CG2-CG1 4.43Å; L189-I209 HydrophobicContact CB-CG1 4.25Å; L189-I209 HydrophobicContact CB-CG2 4.39Å; L189-I209 HydrophobicContact CD1-CG2 4.42Å; A190-I209 HydrophobicContact CB-CG1 3.86Å; S205-I209 WeakPolarHBondContact O-CD1 3.4Å; S205-I209 VanDerWaalsContact O-CG1 3.22Å; S205-I209 WeakPolarHBondContact O-CG1 3.32Å; S205-I209 PolarHBondContact O-N 3.11Å; L206-I209 PolarHBondContact O-N 3.01Å; I209-Y212 WeakPolarHBondContact O-CB 3.39Å; I209-Y212 PolarHBondContact O-N 3.38Å; I209-S213 PolarHBondContact O-N 3.4Å
210	K	94.6	Very high	94.3	Very high	62 Å²	62	47.3 Å²	47.3	27%	0.27	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-46.1	175.8	-170.4	172.7	-175.6	173.7	0	111.4	V147 F150 L206 N207 Y212 S213 E214	V147-K210 HydrophobicContact CG1-CB 4.15Å; F150-K210 PolarHBondContact O-NZ 2.76Å; F150-K210 VanDerWaalsContact O-NZ 3.08Å; L206-K210 VanDerWaalsContact O-CB 3.32Å; L206-K210 WeakPolarHBondContact O-CB 3.48Å; L206-K210 PolarHBondContact O-N 2.94Å; N207-K210 PolarHBondContact O-N 2.88Å; K210-Y212 VanDerWaalsContact C-N 3.31Å; K210-Y212 PolarHBondContact O-N 2.93Å; K210-S213 PolarHBondContact O-N 3.37Å; K210-S213 VanDerWaalsContact O-N 3.16Å; K210-E214 WeakPolarHBondContact CE-OE1 3.34Å; K210-E214 HydrophobicContact CG-CG 4.39Å; K210-E214 WeakPolarHBondContact CG-OE1 3.35Å; K210-E214 WeakPolarHBondContact O-CB 3.39Å; K210-E214 WeakPolarHBondContact O-CG 3.42Å; K210-E214 PolarHBondContact O-N 3.3Å
211	L	94.1	Very high	93.8	Very high	35 Å²	35	47.6 Å²	47.6	18%	0.183	25%	0.252	C	S	.	.	H	α-helix	trans	-56.5	-42.5	175.3	173.6	63.7	0	0	0	112.1	M82 N84 N207 R208 S215	M82-L211 HydrophobicContact CG-CD1 4.28Å; M82-L211 HydrophobicContact CG-CD2 4.12Å; M82-L211 HydrophobicContact CG-CG 3.98Å; N84-L211 HydrophobicContact CB-CD1 3.74Å; N84-L211 WeakPolarHBondContact O-CD1 3.49Å; N207-L211 VanDerWaalsContact O-CB 3.28Å; N207-L211 WeakPolarHBondContact O-CB 3.44Å; N207-L211 PolarHBondContact O-N 2.96Å; R208-L211 WeakPolarHBondContact O-CB 3.49Å; R208-L211 PolarHBondContact O-N 3.41Å; L211-S215 WeakPolarHBondContact O-CB 3.3Å; L211-S215 PolarHBondContact O-N 3.15Å; L211-S215 PolarHBondContact O-OG 3.16Å
212	Y	95.5	Very high	93.7	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-51.1	175.4	-173.1	-71	0	0	0	111	M82 S108 S188 L189 R208 I209 K210 E214 S215 L216 P223	M82-Y212 HydrophobicContact CE-CD2 4.14Å; S108-Y212 VanDerWaalsContact CB-OH 3.28Å; S108-Y212 WeakPolarHBondContact CB-OH 3.36Å; S108-Y212 PolarHBondContact OG-OH 3.04Å; S188-Y212 WeakPolarHBondContact O-CE2 3.45Å; L189-Y212 HydrophobicContact CD2-CD1 3.45Å; L189-Y212 VanDerWaalsContact CD2-CD1 3.45Å; L189-Y212 HydrophobicContact CD2-CD2 4.2Å; L189-Y212 HydrophobicContact CD2-CE1 3.47Å; L189-Y212 VanDerWaalsContact CD2-CE1 3.47Å; L189-Y212 HydrophobicContact CD2-CE2 4.19Å; L189-Y212 HydrophobicContact CD2-CG 3.86Å; L189-Y212 WeakPolarHBondContact O-CB 3.36Å; L189-Y212 WeakPolarHBondContact O-CD2 3.33Å; R208-Y212 PolarHBondContact O-N 2.91Å; I209-Y212 WeakPolarHBondContact O-CB 3.39Å; I209-Y212 PolarHBondContact O-N 3.38Å; K210-Y212 VanDerWaalsContact C-N 3.31Å; K210-Y212 PolarHBondContact O-N 2.93Å; Y212-E214 PolarHBondContact O-N 3.47Å; Y212-S215 WeakPolarHBondContact O-CB 3.37Å; Y212-S215 PolarHBondContact O-N 3.4Å; Y212-L216 PolarHBondContact O-N 3.35Å; Y212-P223 HydrophobicContact CD1-CB 4.47Å; Y212-P223 HydrophobicContact CD1-CG 4.24Å; Y212-P223 HydrophobicContact CD2-CG 3.85Å; Y212-P223 HydrophobicContact CE1-CB 4.49Å; Y212-P223 HydrophobicContact CE1-CG 3.91Å; Y212-P223 HydrophobicContact CE2-CG 3.51Å; Y212-P223 HydrophobicContact CG-CB 4.47Å; Y212-P223 HydrophobicContact CG-CG 4.2Å
213	S	92.8	Very high	93.6	Very high	35 Å²	35	44.8 Å²	44.8	25%	0.245	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-42.1	-179	-71.5	0	0	0	0	112.4	S121 I209 K210 L216 A217	S121-S213 PolarHBondContact O-OG 2.74Å; S121-S213 VanDerWaalsContact O-OG 3.08Å; I209-S213 PolarHBondContact O-N 3.4Å; K210-S213 PolarHBondContact O-N 3.37Å; K210-S213 VanDerWaalsContact O-N 3.16Å; S213-L216 PolarHBondContact O-N 3.09Å; S213-A217 WeakPolarHBondContact O-CB 3.49Å; S213-A217 PolarHBondContact O-N 3.35Å
214	E	92.6	Very high	93.7	Very high	90 Å²	90	43.4 Å²	43.4	42%	0.421	23%	0.228	S	C	.	.	H	α-helix	trans	-65.5	-39.9	176	-70.4	175.3	178.6	0	0	112.1	N84 K210 Y212 A217 R218	N84-E214 PolarHBondContact ND2-O 2.95Å; K210-E214 WeakPolarHBondContact CE-OE1 3.34Å; K210-E214 HydrophobicContact CG-CG 4.39Å; K210-E214 WeakPolarHBondContact CG-OE1 3.35Å; K210-E214 WeakPolarHBondContact O-CB 3.39Å; K210-E214 WeakPolarHBondContact O-CG 3.42Å; K210-E214 PolarHBondContact O-N 3.3Å; Y212-E214 PolarHBondContact O-N 3.47Å; E214-A217 PolarHBondContact O-N 3.26Å; E214-R218 PolarHBondContact O-N 2.88Å
215	S	94.4	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-41.8	176	-68.9	0	0	0	0	111.6	M82 N84 L211 Y212 P223	M82-S215 WeakPolarHBondContact CG-OG 3.43Å; M82-S215 VanDerWaalsContact SD-CB 3.54Å; M82-S215 PolarHBondContact SD-OG 2.92Å; M82-S215 VanDerWaalsContact SD-OG 3.41Å; N84-S215 WeakPolarHBondContact CB-OG 3.32Å; N84-S215 PolarHBondContact N-OG 2.88Å; L211-S215 WeakPolarHBondContact O-CB 3.3Å; L211-S215 PolarHBondContact O-N 3.15Å; L211-S215 PolarHBondContact O-OG 3.16Å; Y212-S215 WeakPolarHBondContact O-CB 3.37Å; Y212-S215 PolarHBondContact O-N 3.4Å; S215-P223 VanDerWaalsContact CB-CB 3.45Å
216	L	92.6	Very high	93.9	Very high	9 Å²	9	40 Å²	40	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-45.7	173.4	178.3	68.6	0	0	0	111	S121 T122 Y212 S213 R218 Y219 G220 K221 S222 P223	S121-L216 WeakPolarHBondContact OG-CD2 3.12Å; T122-L216 HydrophobicContact CG2-CD2 4.26Å; Y212-L216 PolarHBondContact O-N 3.35Å; S213-L216 PolarHBondContact O-N 3.09Å; L216-R218 PolarHBondContact O-N 3.07Å; L216-R218 VanDerWaalsContact O-N 3.12Å; L216-Y219 PolarHBondContact O-N 3.02Å; L216-G220 WeakPolarHBondContact O-CA 3.49Å; L216-G220 PolarHBondContact O-N 3.39Å; L216-K221 VanDerWaalsContact CD1-C 3.47Å; L216-S222 VanDerWaalsContact CD1-CA 3.43Å; L216-P223 HydrophobicContact CB-CB 4.34Å
217	A	90.9	Very high	93.9	Very high	84 Å²	84	40 Å²	40	69%	0.694	21%	0.209	S	C	*	.	H	α-helix	trans	-58.1	-29	-176.9	0	0	0	0	0	112.8	S213 E214	S213-A217 WeakPolarHBondContact O-CB 3.49Å; S213-A217 PolarHBondContact O-N 3.35Å; E214-A217 PolarHBondContact O-N 3.26Å
218	R	89.3	Confident	94	Very high	142 Å²	142	38.5 Å²	38.5	54%	0.536	20%	0.201	S	C	.	.	H	α-helix	trans	-66	-34.8	176.5	-178.2	172.7	-96.1	-175.4	-8.1	113.6	N84 E214 L216	N84-R218 WeakPolarHBondContact OD1-CD 3.43Å; N84-R218 PolarHBondContact OD1-NE 3.26Å; N84-R218 PolarHBondContact OD1-NH1 3.05Å; E214-R218 PolarHBondContact O-N 2.88Å; L216-R218 PolarHBondContact O-N 3.07Å; L216-R218 VanDerWaalsContact O-N 3.12Å
219	Y	89.1	Confident	94.1	Very high	97 Å²	97	41.8 Å²	41.8	38%	0.38	21%	0.214	S	C	.	.	H	α-helix	trans	-127.2	-10.6	-170.6	-63	-64.8	0	0	0	115.7	A83 V104 L216 K221 L225	A83-Y219 HydrophobicContact CB-CD2 3.63Å; A83-Y219 HydrophobicContact CB-CE2 3.4Å; V104-Y219 HydrophobicContact CG1-CG 4.35Å; V104-Y219 HydrophobicContact CG2-CD1 3.49Å; V104-Y219 VanDerWaalsContact CG2-CD1 3.49Å; V104-Y219 HydrophobicContact CG2-CD2 4.2Å; V104-Y219 HydrophobicContact CG2-CE1 4.14Å; V104-Y219 HydrophobicContact CG2-CG 3.53Å; L216-Y219 PolarHBondContact O-N 3.02Å; Y219-K221 PolarHBondContact O-N 3.35Å; Y219-L225 HydrophobicContact CD2-CD2 4.05Å; Y219-L225 HydrophobicContact CE1-CD2 4.49Å; Y219-L225 HydrophobicContact CE2-CD1 3.95Å; Y219-L225 HydrophobicContact CE2-CD2 3.65Å; Y219-L225 HydrophobicContact CE2-CG 4.02Å
220	G	85.7	Confident	94.1	Very high	53 Å²	53	41.7 Å²	41.7	55%	0.546	21%	0.214	S	C	.	.	S	Bend	trans	74.2	-20.7	170.5	0	0	0	0	0	117.4	L216	L216-G220 WeakPolarHBondContact O-CA 3.49Å; L216-G220 PolarHBondContact O-N 3.39Å
221	K	89.1	Confident	94.2	Very high	102 Å²	102	39.2 Å²	39.2	44%	0.443	20%	0.203	S	C	.	.	S	Bend	trans	-93.9	-59.5	-177.7	-65.8	-170.5	178.9	-172.8	0	113.1	V104 E106 L216 Y219	V104-K221 HydrophobicContact CG1-CB 4.11Å; E106-K221 HydrophobicContact CG-CD 4.34Å; E106-K221 IonicContact OE1-NZ 2.88Å; L216-K221 VanDerWaalsContact CD1-C 3.47Å; Y219-K221 PolarHBondContact O-N 3.35Å
222	S	95.3	Very high	94.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	20%	0.198	C	C	.	.			trans	-146.1	166.7	174.7	81.4	0	0	0	0	108.3	I105 L216 Y224	I105-S222 WeakPolarHBondContact CB-OG 3.34Å; I105-S222 VanDerWaalsContact O-CB 3.24Å; I105-S222 WeakPolarHBondContact O-CB 3.23Å; I105-S222 PolarHBondContact O-OG 2.86Å; L216-S222 VanDerWaalsContact CD1-CA 3.43Å; S222-Y224 PolarHBondContact O-N 2.86Å; S222-Y224 PolarHBondContact OG-N 3.36Å
223	P	96.3	Very high	94.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-82.1	8.7	177.1	39.3	-41.4	0	0	0	113	M82 A83 Y212 S215 L216	M82-P223 HydrophobicContact SD-CB 3.66Å; M82-P223 HydrophobicContact SD-CG 4.15Å; A83-P223 WeakPolarHBondContact CB-O 3.21Å; A83-P223 PolarHBondContact N-O 3.44Å; Y212-P223 HydrophobicContact CD1-CB 4.47Å; Y212-P223 HydrophobicContact CD1-CG 4.24Å; Y212-P223 HydrophobicContact CD2-CG 3.85Å; Y212-P223 HydrophobicContact CE1-CB 4.49Å; Y212-P223 HydrophobicContact CE1-CG 3.91Å; Y212-P223 HydrophobicContact CE2-CG 3.51Å; Y212-P223 HydrophobicContact CG-CB 4.47Å; Y212-P223 HydrophobicContact CG-CG 4.2Å; S215-P223 VanDerWaalsContact CB-CB 3.45Å; L216-P223 HydrophobicContact CB-CB 4.34Å
224	Y	97.9	Very high	94.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.9	-167.1	-60.3	-57.7	0	0	0	112.8	F80 L81 M82 I105 L191 S222 Q318	F80-Y224 HydrophobicContact CB-CD1 3.89Å; F80-Y224 HydrophobicContact CB-CG 3.99Å; F80-Y224 HydrophobicContact CD2-CD2 4.36Å; F80-Y224 HydrophobicContact CD2-CG 4.18Å; F80-Y224 HydrophobicContact CG-CG 4.4Å; L81-Y224 CarbonylContact O-C 3.58Å; L81-Y224 WeakPolarHBondContact O-CA 3.48Å; M82-Y224 HydrophobicContact CE-CE1 3.92Å; M82-Y224 HydrophobicContact SD-CE1 4.41Å; I105-Y224 PolarHBondContact N-O 3.26Å; L191-Y224 HydrophobicContact CD1-CE1 4.28Å; L191-Y224 WeakPolarHBondContact CD2-OH 3.46Å; S222-Y224 PolarHBondContact O-N 2.86Å; S222-Y224 PolarHBondContact OG-N 3.36Å; Y224-Q318 HydrophobicContact CD2-CB 4.15Å; Y224-Q318 HydrophobicContact CE2-CB 3.94Å; Y224-Q318 HydrophobicContact CE2-CG 4.16Å; Y224-Q318 PolarHBondContact OH-NE2 3.3Å
225	L	98.1	Very high	94.2	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.5	171.3	-61.9	176.5	0	0	0	110	L81 A83 V88 F102 K103 V104 Y219	L81-L225 HydrophobicContact CB-CB 4.22Å; L81-L225 WeakPolarHBondContact CD1-O 3.45Å; L81-L225 PolarHBondContact N-O 3.33Å; L81-L225 PolarHBondContact O-N 3.29Å; A83-L225 HydrophobicContact CB-CD1 4.43Å; A83-L225 HydrophobicContact CB-CG 4.38Å; V88-L225 HydrophobicContact CG2-CD1 4.41Å; F102-L225 HydrophobicContact CB-CB 4.43Å; F102-L225 HydrophobicContact CD1-CB 4.22Å; K103-L225 WeakPolarHBondContact O-CA 3.5Å; V104-L225 HydrophobicContact CB-CD2 4.4Å; V104-L225 HydrophobicContact CG2-CD2 3.77Å; Y219-L225 HydrophobicContact CD2-CD2 4.05Å; Y219-L225 HydrophobicContact CE1-CD2 4.49Å; Y219-L225 HydrophobicContact CE2-CD1 3.95Å; Y219-L225 HydrophobicContact CE2-CD2 3.65Å; Y219-L225 HydrophobicContact CE2-CG 4.02Å
226	Y	98.2	Very high	94	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138.8	171.6	-172.8	-97.2	0	0	0	110	D75 F80 K103 I105 L231 I337 H341 V343	D75-Y226 VanDerWaalsContact CG-OH 3.3Å; D75-Y226 PolarHBondContact OD2-OH 3Å; F80-Y226 AromaticContact CD1-CD2 3.69Å; F80-Y226 HydrophobicContact CD1-CD2 3.69Å; F80-Y226 HydrophobicContact CD1-CG 4.16Å; F80-Y226 AromaticContact CE1-CD2 3.87Å; F80-Y226 HydrophobicContact CE1-CD2 3.87Å; F80-Y226 HydrophobicContact CE1-CG 4.16Å; K103-Y226 PolarHBondContact N-O 3.48Å; K103-Y226 PolarHBondContact O-N 2.85Å; I105-Y226 HydrophobicContact CD1-CG 4.49Å; Y226-L231 HydrophobicContact CD2-CD2 4.3Å; Y226-L231 HydrophobicContact CD2-CG 4.49Å; Y226-L231 HydrophobicContact CE2-CD1 4.33Å; Y226-L231 HydrophobicContact CE2-CD2 4.08Å; Y226-L231 HydrophobicContact CE2-CG 3.78Å; Y226-I337 HydrophobicContact CD1-CG2 3.91Å; Y226-I337 HydrophobicContact CE1-CB 4.36Å; Y226-I337 HydrophobicContact CE1-CD1 4.48Å; Y226-I337 HydrophobicContact CE1-CG1 4.2Å; Y226-I337 HydrophobicContact CE1-CG2 3.95Å; Y226-I337 HydrophobicContact CG-CG2 4.2Å; Y226-H341 HydrophobicContact CD1-CB 4.34Å; Y226-H341 AromaticContact CD1-CD2 3.76Å; Y226-H341 HydrophobicContact CE1-CB 4.5Å; Y226-V343 HydrophobicContact CE1-CG1 4Å
227	P	97.9	Very high	94	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	142.5	-179.6	27.7	-34.6	0	0	0	111.4	D101 F102 G230 L231	D101-P227 CarbonylContact O-C 3.57Å; D101-P227 WeakPolarHBondContact O-CA 3.44Å; F102-P227 HydrophobicContact CD1-CB 4.27Å; F102-P227 HydrophobicContact CE1-CB 4.06Å; F102-P227 HydrophobicContact CE1-CG 4.45Å; P227-G230 VanDerWaalsContact CG-O 3.24Å; P227-G230 WeakPolarHBondContact CG-O 3.34Å; P227-G230 PolarHBondContact O-N 3.04Å; P227-L231 HydrophobicContact CG-CD2 3.92Å
228	L	98.1	Very high	94	Very high	41 Å²	41	34.5 Å²	34.5	22%	0.215	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	143.4	162.3	-62.3	-176.3	0	0	0	108.6	D101 K103 G230 H341	D101-L228 HydrophobicContact CB-CB 4.38Å; D101-L228 HydrophobicContact CB-CD1 3.8Å; D101-L228 HydrophobicContact CB-CG 4.13Å; D101-L228 PolarHBondContact O-N 3.4Å; K103-L228 HydrophobicContact CB-CD2 3.97Å; K103-L228 HydrophobicContact CD-CD2 4.18Å; L228-G230 PolarHBondContact O-N 3.41Å; L228-H341 CarbonylContact C-O 3.46Å; L228-H341 WeakPolarHBondContact CA-O 3.43Å
229	Y	97.6	Very high	94	Very high	113 Å²	113	28.1 Å²	28.1	44%	0.443	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	7.2	-174.8	-46.7	-80.2	0	0	0	115.6	N73 H341 N342	N73-Y229 VanDerWaalsContact CB-O 3.24Å; N73-Y229 WeakPolarHBondContact CB-O 3.12Å; Y229-H341 PolarHBondContact N-O 2.91Å; Y229-N342 HydrophobicContact CD1-CB 3.46Å; Y229-N342 VanDerWaalsContact CD1-CB 3.46Å; Y229-N342 HydrophobicContact CE1-CB 3.45Å; Y229-N342 VanDerWaalsContact CE1-CB 3.45Å; Y229-N342 WeakPolarHBondContact CE1-ND2 3.37Å; Y229-N342 HydrophobicContact CG-CB 4.13Å; Y229-N342 PolarHBondContact OH-ND2 2.74Å
230	G	97	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.			trans	87.8	177.8	172.1	0	0	0	0	0	114.3	P227 L228 G232 E233	P227-G230 VanDerWaalsContact CG-O 3.24Å; P227-G230 WeakPolarHBondContact CG-O 3.34Å; P227-G230 PolarHBondContact O-N 3.04Å; L228-G230 PolarHBondContact O-N 3.41Å; G230-G232 PolarHBondContact O-N 2.94Å; G230-E233 PolarHBondContact O-N 3.24Å
231	L	96.4	Very high	94.1	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.047	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.8	-173.3	-66.3	174.1	0	0	0	113.5	D75 I77 K79 L81 Y226 P227 E233 L234 P235 F410	D75-L231 PolarHBondContact OD1-N 3.28Å; D75-L231 VanDerWaalsContact OD1-N 3.14Å; D75-L231 VanDerWaalsContact OD2-CB 3.26Å; D75-L231 WeakPolarHBondContact OD2-CB 3.48Å; D75-L231 WeakPolarHBondContact OD2-CD1 3.35Å; D75-L231 WeakPolarHBondContact OD2-CG 3.21Å; D75-L231 PolarHBondContact OD2-N 2.9Å; I77-L231 WeakPolarHBondContact O-CD1 3.32Å; K79-L231 HydrophobicContact CB-CD1 4.38Å; L81-L231 HydrophobicContact CD1-CD2 4.33Å; Y226-L231 HydrophobicContact CD2-CD2 4.3Å; Y226-L231 HydrophobicContact CD2-CG 4.49Å; Y226-L231 HydrophobicContact CE2-CD1 4.33Å; Y226-L231 HydrophobicContact CE2-CD2 4.08Å; Y226-L231 HydrophobicContact CE2-CG 3.78Å; P227-L231 HydrophobicContact CG-CD2 3.92Å; L231-E233 PolarHBondContact O-N 3.21Å; L231-E233 VanDerWaalsContact O-N 3.12Å; L231-L234 HydrophobicContact CB-CD1 4.46Å; L231-L234 HydrophobicContact CD2-CD1 3.54Å; L231-L234 WeakPolarHBondContact O-CB 3.5Å; L231-L234 PolarHBondContact O-N 2.86Å; L231-P235 WeakPolarHBondContact O-CD 3.42Å; L231-F410 HydrophobicContact CD1-CE2 4.22Å; L231-F410 HydrophobicContact CD1-CZ 3.72Å; L231-F410 HydrophobicContact CD2-CE2 3.72Å; L231-F410 HydrophobicContact CD2-CZ 3.78Å; L231-F410 HydrophobicContact CG-CZ 4.38Å
232	G	94.2	Very high	93.9	Very high	7 Å²	7	23.5 Å²	23.5	7%	0.072	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-23	173	0	0	0	0	0	113.8	G230 L234 Q236	G230-G232 PolarHBondContact O-N 2.94Å; G232-L234 VanDerWaalsContact C-N 3.33Å; G232-Q236 WeakPolarHBondContact O-CG 3.29Å; G232-Q236 PolarHBondContact O-NE2 3.35Å
233	E	95	Very high	93.5	Very high	54 Å²	54	26.3 Å²	26.3	25%	0.252	13%	0.129	S	C	.	.	H	α-helix	trans	-70.2	-27.9	175.2	-65.3	-59.8	95.9	0	0	112.7	L100 G230 L231 Q236 G237	L100-E233 HydrophobicContact CD2-CB 3.65Å; L100-E233 WeakPolarHBondContact CD2-O 3.34Å; G230-E233 PolarHBondContact O-N 3.24Å; L231-E233 PolarHBondContact O-N 3.21Å; L231-E233 VanDerWaalsContact O-N 3.12Å; E233-Q236 PolarHBondContact O-N 2.74Å; E233-Q236 PolarHBondContact OE1-NE2 3.21Å; E233-G237 PolarHBondContact O-N 3.36Å
234	L	93.9	Very high	93	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-65.3	-55.1	-178.3	-69.5	165	0	0	0	111.8	L14 L91 L100 F102 L231 G232 Q236 G237 F238	L14-L234 HydrophobicContact CD1-CB 3.56Å; L14-L234 HydrophobicContact CD1-CD1 3.93Å; L14-L234 HydrophobicContact CD1-CG 4.27Å; L14-L234 HydrophobicContact CD2-CD1 4.02Å; L91-L234 HydrophobicContact CD1-CD2 3.93Å; L91-L234 HydrophobicContact CD2-CD2 3.96Å; L100-L234 HydrophobicContact CD1-CD2 3.59Å; L100-L234 HydrophobicContact CD2-CD2 4.48Å; F102-L234 HydrophobicContact CZ-CD2 4.33Å; L231-L234 HydrophobicContact CB-CD1 4.46Å; L231-L234 HydrophobicContact CD2-CD1 3.54Å; L231-L234 WeakPolarHBondContact O-CB 3.5Å; L231-L234 PolarHBondContact O-N 2.86Å; G232-L234 VanDerWaalsContact C-N 3.33Å; L234-Q236 VanDerWaalsContact C-N 3.26Å; L234-Q236 PolarHBondContact O-N 3.37Å; L234-G237 PolarHBondContact O-N 2.79Å; L234-F238 VanDerWaalsContact O-CD2 3.31Å; L234-F238 WeakPolarHBondContact O-CD2 3.34Å; L234-F238 PolarHBondContact O-N 2.98Å
235	P	92	Very high	92.5	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-55.2	-39.7	173.6	-28.1	35.8	0	0	0	113.7	Y39 L231 F238 A239	Y39-P235 HydrophobicContact CD1-CB 4.46Å; Y39-P235 HydrophobicContact CG-CB 4.48Å; L231-P235 WeakPolarHBondContact O-CD 3.42Å; P235-F238 PolarHBondContact O-N 3.12Å; P235-A239 WeakPolarHBondContact O-CB 3.44Å; P235-A239 PolarHBondContact O-N 3.27Å
236	Q	89.6	Confident	91.7	Very high	87 Å²	87	36.2 Å²	36.2	41%	0.407	19%	0.188	S	C	.	.	H	α-helix	trans	-64.5	-44.2	178.7	-69.9	176.6	65.2	0	0	112.1	Y39 G232 E233 L234 F238 A239 R240	Y39-Q236 HydrophobicContact CD2-CG 3.8Å; Y39-Q236 HydrophobicContact CE2-CG 4.29Å; Y39-Q236 HydrophobicContact CG-CG 4.36Å; G232-Q236 WeakPolarHBondContact O-CG 3.29Å; G232-Q236 PolarHBondContact O-NE2 3.35Å; E233-Q236 PolarHBondContact O-N 2.74Å; E233-Q236 PolarHBondContact OE1-NE2 3.21Å; L234-Q236 VanDerWaalsContact C-N 3.26Å; L234-Q236 PolarHBondContact O-N 3.37Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 3.32Å; Q236-A239 PolarHBondContact O-N 3.2Å; Q236-R240 PolarHBondContact O-N 3.34Å
237	G	92.5	Very high	91.2	Very high	4 Å²	4	36.5 Å²	36.5	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-59	-43.4	174.8	0	0	0	0	0	111.8	V96 E233 L234 R240 L241	V96-G237 WeakPolarHBondContact CG2-O 3.37Å; E233-G237 PolarHBondContact O-N 3.36Å; L234-G237 PolarHBondContact O-N 2.79Å; G237-R240 PolarHBondContact O-N 2.82Å; G237-L241 WeakPolarHBondContact O-CB 3.29Å; G237-L241 PolarHBondContact O-N 3.12Å
238	F	91.3	Very high	90.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-36.9	176.8	-84.8	-70.1	0	0	0	113.5	C17 I18 L91 T94 V96 L234 P235 Q236 R240 L241 S242	C17-F238 HydrophobicContact CB-CB 3.72Å; C17-F238 HydrophobicContact CB-CD2 4.26Å; C17-F238 HydrophobicContact CB-CG 4.14Å; C17-F238 WeakPolarHBondContact O-CD1 3.35Å; I18-F238 HydrophobicContact CB-CE2 4.4Å; I18-F238 HydrophobicContact CB-CZ 4.15Å; I18-F238 HydrophobicContact CD1-CE2 4.37Å; I18-F238 HydrophobicContact CG1-CD2 4.1Å; I18-F238 HydrophobicContact CG1-CE1 4.23Å; I18-F238 HydrophobicContact CG1-CE2 3.37Å; I18-F238 HydrophobicContact CG1-CZ 3.45Å; I18-F238 VanDerWaalsContact CG1-CZ 3.45Å; I18-F238 HydrophobicContact CG2-CZ 4.47Å; L91-F238 HydrophobicContact CD2-CE2 3.52Å; L91-F238 HydrophobicContact CD2-CZ 3.66Å; T94-F238 HydrophobicContact CG2-CE1 4.06Å; V96-F238 HydrophobicContact CB-CE1 4.43Å; V96-F238 HydrophobicContact CB-CZ 4.41Å; V96-F238 HydrophobicContact CG1-CE1 4.3Å; V96-F238 HydrophobicContact CG1-CE2 4.03Å; V96-F238 HydrophobicContact CG1-CZ 3.82Å; V96-F238 HydrophobicContact CG2-CD2 4.33Å; V96-F238 HydrophobicContact CG2-CE2 4.49Å; V96-F238 HydrophobicContact CG2-CG 4.33Å; L234-F238 VanDerWaalsContact O-CD2 3.31Å; L234-F238 WeakPolarHBondContact O-CD2 3.34Å; L234-F238 PolarHBondContact O-N 2.98Å; P235-F238 PolarHBondContact O-N 3.12Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 3.32Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.95Å; F238-L241 HydrophobicContact CD1-CD2 4.08Å; F238-L241 HydrophobicContact CE1-CD2 4.23Å; F238-L241 WeakPolarHBondContact O-CB 3.32Å; F238-L241 PolarHBondContact O-N 2.87Å; F238-S242 WeakPolarHBondContact O-CB 3.45Å; F238-S242 PolarHBondContact O-N 2.84Å
239	A	88.3	Confident	90.7	Very high	8 Å²	8	38.8 Å²	38.8	7%	0.066	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-45.3	172.9	0	0	0	0	0	111.1	Y39 P235 Q236 S242 A243 Y249	Y39-A239 HydrophobicContact CE1-CB 3.89Å; P235-A239 WeakPolarHBondContact O-CB 3.44Å; P235-A239 PolarHBondContact O-N 3.27Å; Q236-A239 PolarHBondContact O-N 3.2Å; A239-S242 PolarHBondContact O-N 3.05Å; A239-A243 PolarHBondContact O-N 3.36Å; A239-Y249 HydrophobicContact CB-CD1 3.59Å; A239-Y249 HydrophobicContact CB-CD2 4.33Å; A239-Y249 HydrophobicContact CB-CE1 3.56Å; A239-Y249 HydrophobicContact CB-CE2 4.37Å; A239-Y249 HydrophobicContact CB-CG 3.93Å
240	R	89.3	Confident	90.5	Very high	151 Å²	151	35.2 Å²	35.2	57%	0.57	19%	0.191	S	C	*	.	H	α-helix	trans	-62.2	-44.8	174.6	-176.7	175.8	-177.6	173.3	1	112.1	Y99 Q236 G237 F238 A243 I244	Y99-R240 HydrophobicContact CE1-CG 4.46Å; Y99-R240 VanDerWaalsContact CE1-CZ 3.45Å; Y99-R240 HydrophobicContact CE2-CB 4.48Å; Y99-R240 HydrophobicContact CE2-CG 4.2Å; Q236-R240 PolarHBondContact O-N 3.34Å; G237-R240 PolarHBondContact O-N 2.82Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.95Å; R240-A243 PolarHBondContact O-N 2.93Å; R240-I244 HydrophobicContact CG-CD1 4.47Å; R240-I244 WeakPolarHBondContact O-CG1 3.29Å; R240-I244 PolarHBondContact O-N 3.12Å
241	L	88.8	Confident	90.5	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-58.5	-50.2	177	-180	70.1	0	0	0	110.8	V25 T94 G237 F238 A243 I244 Y245	V25-L241 HydrophobicContact CG2-CD2 4.42Å; T94-L241 HydrophobicContact CG2-CD2 4.45Å; T94-L241 WeakPolarHBondContact O-CD1 3.39Å; T94-L241 VanDerWaalsContact O-CD2 3.3Å; T94-L241 WeakPolarHBondContact O-CD2 3.32Å; G237-L241 WeakPolarHBondContact O-CB 3.29Å; G237-L241 PolarHBondContact O-N 3.12Å; F238-L241 HydrophobicContact CD1-CD2 4.08Å; F238-L241 HydrophobicContact CE1-CD2 4.23Å; F238-L241 WeakPolarHBondContact O-CB 3.32Å; F238-L241 PolarHBondContact O-N 2.87Å; L241-A243 VanDerWaalsContact C-N 3.27Å; L241-A243 PolarHBondContact O-N 3.19Å; L241-I244 WeakPolarHBondContact O-CB 3.39Å; L241-I244 PolarHBondContact O-N 3.33Å; L241-I244 VanDerWaalsContact O-N 3.09Å; L241-Y245 HydrophobicContact CD1-CD2 4.18Å; L241-Y245 HydrophobicContact CD1-CE2 3.72Å; L241-Y245 HydrophobicContact CG-CD2 4.39Å; L241-Y245 HydrophobicContact CG-CE2 4.34Å; L241-Y245 WeakPolarHBondContact O-CD2 3.46Å; L241-Y245 PolarHBondContact O-N 3.25Å
242	S	85.4	Confident	90.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-38.7	-178.8	-167.1	0	0	0	0	111.8	S24 F238 A239 I244 Y245 G246 G247	S24-S242 PolarHBondContact OG-OG 3.17Å; F238-S242 WeakPolarHBondContact O-CB 3.45Å; F238-S242 PolarHBondContact O-N 2.84Å; A239-S242 PolarHBondContact O-N 3.05Å; S242-I244 VanDerWaalsContact C-N 3.31Å; S242-I244 PolarHBondContact O-N 2.94Å; S242-Y245 CarbonylContact O-C 3.59Å; S242-Y245 PolarHBondContact O-N 2.87Å; S242-G246 PolarHBondContact O-N 3.25Å; S242-G247 WeakPolarHBondContact O-CA 3.33Å; S242-G247 PolarHBondContact O-N 2.86Å
243	A	85	Confident	90.6	Very high	60 Å²	60	43.3 Å²	43.3	50%	0.496	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-36.3	175.4	0	0	0	0	0	113.2	A239 R240 L241 Y245 G246 G247	A239-A243 PolarHBondContact O-N 3.36Å; R240-A243 PolarHBondContact O-N 2.93Å; L241-A243 VanDerWaalsContact C-N 3.27Å; L241-A243 PolarHBondContact O-N 3.19Å; A243-Y245 VanDerWaalsContact C-N 3.26Å; A243-Y245 PolarHBondContact O-N 2.88Å; A243-G246 PolarHBondContact O-N 2.77Å; A243-G246 VanDerWaalsContact O-N 3.11Å; A243-G247 WeakPolarHBondContact CA-O 3.41Å
244	I	87.5	Confident	90.6	Very high	102 Å²	102	43.6 Å²	43.6	52%	0.523	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-34.3	176.8	-69.2	165.5	0	0	0	111.6	Y99 R240 L241 S242 G246	Y99-I244 WeakPolarHBondContact OH-CD1 3.39Å; R240-I244 HydrophobicContact CG-CD1 4.47Å; R240-I244 WeakPolarHBondContact O-CG1 3.29Å; R240-I244 PolarHBondContact O-N 3.12Å; L241-I244 WeakPolarHBondContact O-CB 3.39Å; L241-I244 PolarHBondContact O-N 3.33Å; L241-I244 VanDerWaalsContact O-N 3.09Å; S242-I244 VanDerWaalsContact C-N 3.31Å; S242-I244 PolarHBondContact O-N 2.94Å; I244-G246 VanDerWaalsContact C-N 3.29Å; I244-G246 PolarHBondContact O-N 3.39Å
245	Y	86.1	Confident	90.8	Very high	63 Å²	63	45.4 Å²	45.4	25%	0.247	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	14.1	177.7	-72.2	-87	0	0	0	113.2	V25 L241 S242 A243 G247 F442	V25-Y245 HydrophobicContact CG2-CD2 4.29Å; V25-Y245 HydrophobicContact CG2-CE2 3.81Å; L241-Y245 HydrophobicContact CD1-CD2 4.18Å; L241-Y245 HydrophobicContact CD1-CE2 3.72Å; L241-Y245 HydrophobicContact CG-CD2 4.39Å; L241-Y245 HydrophobicContact CG-CE2 4.34Å; L241-Y245 WeakPolarHBondContact O-CD2 3.46Å; L241-Y245 PolarHBondContact O-N 3.25Å; S242-Y245 CarbonylContact O-C 3.59Å; S242-Y245 PolarHBondContact O-N 2.87Å; A243-Y245 VanDerWaalsContact C-N 3.26Å; A243-Y245 PolarHBondContact O-N 2.88Å; Y245-G247 VanDerWaalsContact C-N 3.34Å; Y245-F442 VanDerWaalsContact OH-CE2 3.27Å; Y245-F442 WeakPolarHBondContact OH-CE2 2.91Å; Y245-F442 VanDerWaalsContact OH-CZ 3.27Å; Y245-F442 WeakPolarHBondContact OH-CZ 3.32Å
246	G	82.7	Confident	91	Very high	49 Å²	49	50 Å²	50	51%	0.505	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	10.3	177.4	0	0	0	0	0	115	S242 A243 I244	S242-G246 PolarHBondContact O-N 3.25Å; A243-G246 PolarHBondContact O-N 2.77Å; A243-G246 VanDerWaalsContact O-N 3.11Å; I244-G246 VanDerWaalsContact C-N 3.29Å; I244-G246 PolarHBondContact O-N 3.39Å
247	G	86.6	Confident	91.3	Very high	7 Å²	7	50.7 Å²	50.7	7%	0.072	27%	0.271	C	S	.	.			trans	-72.1	148.7	169.9	0	0	0	0	0	111.7	V30 S242 A243 Y245	V30-G247 CarbonylContact O-C 3.59Å; V30-G247 VanDerWaalsContact O-CA 3.23Å; V30-G247 WeakPolarHBondContact O-CA 3.5Å; S242-G247 WeakPolarHBondContact O-CA 3.33Å; S242-G247 PolarHBondContact O-N 2.86Å; A243-G247 WeakPolarHBondContact CA-O 3.41Å; Y245-G247 VanDerWaalsContact C-N 3.34Å
248	T	91.3	Very high	91.6	Very high	50 Å²	50	51.7 Å²	51.7	31%	0.307	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.5	-178.8	-58	0	0	0	0	110.4	V30 L31 H32 M250	V30-T248 PolarHBondContact O-N 3.22Å; L31-T248 HydrophobicContact CD1-CG2 4.14Å; H32-T248 PolarHBondContact N-O 3.3Å; T248-M250 HydrophobicContact CG2-CE 3.48Å; T248-M250 VanDerWaalsContact CG2-CE 3.48Å; T248-M250 HydrophobicContact CG2-CG 4.19Å
249	Y	93.6	Very high	91.8	Very high	41 Å²	41	52.5 Å²	52.5	16%	0.161	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132	175.2	-91.4	-111.5	0	0	0	110.8	T12 S20 H32 Y39 A239	T12-Y249 HydrophobicContact CG2-CD1 4.43Å; T12-Y249 HydrophobicContact CG2-CE1 4.26Å; S20-Y249 PolarHBondContact OG-OH 2.74Å; H32-Y249 HydrophobicContact CB-CD1 3.97Å; H32-Y249 HydrophobicContact CB-CD2 3.69Å; H32-Y249 HydrophobicContact CB-CE1 3.92Å; H32-Y249 HydrophobicContact CB-CE2 3.53Å; H32-Y249 HydrophobicContact CB-CG 3.91Å; H32-Y249 AromaticContact CD2-CE1 3.76Å; H32-Y249 AromaticContact CE1-CE1 3.76Å; H32-Y249 AromaticContact CE1-CZ 3.69Å; H32-Y249 PolarHBondContact CE1-OH 3.25Å; H32-Y249 AromaticContact CG-CD1 3.92Å; H32-Y249 AromaticContact CG-CE1 3.47Å; H32-Y249 VanDerWaalsContact CG-CE1 3.47Å; H32-Y249 AromaticContact CG-CE2 3.79Å; H32-Y249 AromaticContact CG-CZ 3.42Å; H32-Y249 VanDerWaalsContact CG-CZ 3.42Å; H32-Y249 AromaticContact ND1-CE1 3.48Å; H32-Y249 WeakPolarHBondContact ND1-CE1 3.14Å; H32-Y249 AromaticContact ND1-CE2 3.7Å; H32-Y249 AromaticContact ND1-CZ 3.1Å; H32-Y249 PolarHBondContact ND1-OH 3.1Å; H32-Y249 AromaticContact NE2-CE1 3.91Å; H32-Y249 CarbonylContact O-C 3.57Å; H32-Y249 VanDerWaalsContact O-CA 3.27Å; H32-Y249 WeakPolarHBondContact O-CA 3.38Å; Y39-Y249 AromaticContact CE1-CD1 3.89Å; Y39-Y249 HydrophobicContact CE1-CD1 3.89Å; Y39-Y249 HydrophobicContact CE1-CE1 4.3Å; A239-Y249 HydrophobicContact CB-CD1 3.59Å; A239-Y249 HydrophobicContact CB-CD2 4.33Å; A239-Y249 HydrophobicContact CB-CE1 3.56Å; A239-Y249 HydrophobicContact CB-CE2 4.37Å; A239-Y249 HydrophobicContact CB-CG 3.93Å
250	M	94.8	Very high	92.3	Very high	37 Å²	37	55.1 Å²	55.1	18%	0.182	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	109.8	178.7	-55.6	-171.7	-177.4	0	0	110.8	M1 L31 H32 M33 D34 T248 K253	M1-M250 HydrophobicContact CE-CE 3.8Å; M1-M250 HydrophobicContact CE-SD 4.35Å; M1-M250 HydrophobicContact SD-CE 3.74Å; L31-M250 HydrophobicContact CD1-CE 3.84Å; L31-M250 HydrophobicContact CD1-CG 4.3Å; L31-M250 HydrophobicContact CD1-SD 4.16Å; H32-M250 PolarHBondContact O-N 3.43Å; M33-M250 CarbonylContact C-O 3.52Å; M33-M250 VanDerWaalsContact CA-O 3.29Å; M33-M250 WeakPolarHBondContact CA-O 3.47Å; M33-M250 HydrophobicContact CG-CB 4.21Å; D34-M250 PolarHBondContact N-O 2.98Å; T248-M250 HydrophobicContact CG2-CE 3.48Å; T248-M250 VanDerWaalsContact CG2-CE 3.48Å; T248-M250 HydrophobicContact CG2-CG 4.19Å; M250-K253 HydrophobicContact CB-CB 4.1Å; M250-K253 HydrophobicContact CB-CG 4.27Å
251	L	95.8	Very high	92.6	Very high	52 Å²	52	52.6 Å²	52.6	27%	0.272	29%	0.287	S	S	.	.	S	Bend	trans	-87.9	166.3	168.9	-64.1	-177.3	0	0	0	110.7	T12 D34 Y39 K253	T12-L251 HydrophobicContact CG2-CD2 4.1Å; D34-L251 HydrophobicContact CB-CD2 3.61Å; D34-L251 CarbonylContact O-C 3.48Å; Y39-L251 HydrophobicContact CD1-CD1 4.38Å; Y39-L251 HydrophobicContact CD1-CD2 3.96Å; Y39-L251 HydrophobicContact CD2-CD1 3.99Å; Y39-L251 HydrophobicContact CE1-CD1 4.1Å; Y39-L251 HydrophobicContact CE1-CD2 3.84Å; Y39-L251 HydrophobicContact CE1-CG 4.14Å; Y39-L251 HydrophobicContact CE2-CD1 3.69Å; Y39-L251 HydrophobicContact CG-CD1 4.32Å; Y39-L251 HydrophobicContact CG-CD2 4.5Å; L251-K253 PolarHBondContact O-N 3.27Å
252	N	96.2	Very high	92.9	Very high	108 Å²	108	60.9 Å²	60.9	58%	0.578	33%	0.331	S	S	*	.	S	Bend	trans	53	35.9	179.9	-166.7	56.6	0	0	0	112	D34 N36	D34-N252 PolarHBondContact O-N 3.2Å; D34-N252 VanDerWaalsContact O-N 3.14Å; N36-N252 PolarHBondContact O-N 3.49Å
253	K	96.2	Very high	93.4	Very high	26 Å²	26	63.3 Å²	63.3	11%	0.113	36%	0.356	C	S	.	.			trans	-111.9	99.9	-175	-166.1	64	172.8	-179	0	108.7	M33 D34 R35 M250 L251 S270 E271	M33-K253 HydrophobicContact SD-CG 4.1Å; D34-K253 PolarHBondContact O-N 3.03Å; R35-K253 WeakPolarHBondContact CA-O 3.1Å; M250-K253 HydrophobicContact CB-CB 4.1Å; M250-K253 HydrophobicContact CB-CG 4.27Å; L251-K253 PolarHBondContact O-N 3.27Å; K253-S270 WeakPolarHBondContact CD-OG 2.85Å; K253-S270 WeakPolarHBondContact CE-OG 3.4Å; K253-S270 WeakPolarHBondContact CG-OG 3.33Å; K253-E271 IonicContact NZ-OE2 3.32Å; K253-E271 PolarHBondContact NZ-OE2 3Å
254	P	96.2	Very high	94	Very high	60 Å²	60	64.9 Å²	64.9	39%	0.39	35%	0.351	S	S	.	.			trans	-68	139.1	-175.7	28.1	-34.4	0	0	0	110.6	S270 E271	P254-S270 WeakPolarHBondContact O-CB 3.38Å; P254-S270 PolarHBondContact O-OG 2.94Å; P254-E271 HydrophobicContact CG-CG 3.98Å
255	I	96.8	Very high	94.5	Very high	40 Å²	40	60 Å²	60	21%	0.205	33%	0.327	C	S	.	.			trans	-98.8	113.7	176.5	-53.8	-51.6	0	0	0	108.3	L10 M33 V268 Y286	L10-I255 HydrophobicContact CD1-CG2 4.33Å; L10-I255 HydrophobicContact CD2-CD1 3.88Å; L10-I255 HydrophobicContact CD2-CG1 4.13Å; M33-I255 HydrophobicContact CB-CD1 4.27Å; M33-I255 HydrophobicContact CE-CD1 4.02Å; M33-I255 HydrophobicContact SD-CD1 4.28Å; I255-V268 HydrophobicContact CD1-CG1 3.95Å; I255-V268 HydrophobicContact CG2-CG1 3.55Å; I255-Y286 HydrophobicContact CB-CD1 4.34Å; I255-Y286 HydrophobicContact CB-CE1 4.34Å; I255-Y286 HydrophobicContact CG1-CD1 3.99Å; I255-Y286 HydrophobicContact CG1-CE1 3.61Å
256	E	96.6	Very high	95.1	Very high	101 Å²	101	58.3 Å²	58.3	47%	0.472	32%	0.323	S	S	.	.			trans	-84.5	-41.7	-178.5	-66.1	174.4	-168.7	0	0	111.4	K269 E271 G272	E256-K269 HydrophobicContact CB-CG 4.45Å; E256-K269 PolarHBondContact N-O 3.37Å; E256-K269 WeakPolarHBondContact OE2-CE 3.42Å; E256-K269 IonicContact OE2-NZ 3.83Å; E256-E271 WeakPolarHBondContact OE1-CA 3.35Å; E256-E271 PolarHBondContact OE1-N 3.34Å; E256-G272 PolarHBondContact OE1-N 2.97Å
257	E	96.7	Very high	95.8	Very high	101 Å²	101	56 Å²	56	47%	0.472	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	137.9	-172.7	-172.8	-179.2	-177.5	0	0	111	V259 K269	E257-V259 HydrophobicContact CG-CG2 4.49Å; E257-K269 HydrophobicContact CB-CB 3.93Å; E257-K269 HydrophobicContact CB-CD 4.4Å; E257-K269 PolarHBondContact N-O 3.33Å; E257-K269 PolarHBondContact O-N 2.89Å
258	I	97.6	Very high	96.3	Very high	25 Å²	25	55.7 Å²	55.7	13%	0.128	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	113.5	163.3	-68.2	163.6	0	0	0	106.6	L10 M260 V265 L280 L287 I398	L10-I258 HydrophobicContact CD1-CD1 4.13Å; L10-I258 HydrophobicContact CD1-CG1 4.25Å; I258-M260 HydrophobicContact CG2-SD 4.03Å; I258-V265 HydrophobicContact CG2-CG2 3.87Å; I258-L280 HydrophobicContact CD1-CD2 3.88Å; I258-L280 HydrophobicContact CG1-CD2 4.02Å; I258-L280 HydrophobicContact CG2-CD2 3.67Å; I258-L287 HydrophobicContact CD1-CB 4.42Å; I258-L287 HydrophobicContact CD1-CD1 4Å; I258-I398 HydrophobicContact CG2-CD1 4.23Å
259	V	97.5	Very high	96.6	Very high	17 Å²	17	56.2 Å²	56.2	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.5	-171.1	-172	0	0	0	0	109.5	E257 V266 G267 K269 I274	E257-V259 HydrophobicContact CG-CG2 4.49Å; V259-V266 HydrophobicContact CB-CG2 4.02Å; V259-V266 HydrophobicContact CG1-CG2 3.63Å; V259-V266 WeakPolarHBondContact O-CG2 3.46Å; V259-V266 PolarHBondContact O-N 2.92Å; V259-G267 PolarHBondContact N-O 3.25Å; V259-K269 HydrophobicContact CG2-CB 4.35Å; V259-I274 HydrophobicContact CG2-CD1 4.43Å; V259-I274 HydrophobicContact CG2-CG2 4.25Å
260	M	97.2	Very high	96.7	Very high	63 Å²	63	54.5 Å²	54.5	31%	0.31	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.8	-178.5	-55.8	-62.5	-73.5	0	0	110.6	I258 G263 K264 V265 I398	I258-M260 HydrophobicContact CG2-SD 4.03Å; M260-G263 VanDerWaalsContact CE-O 3.25Å; M260-G263 WeakPolarHBondContact CE-O 3.05Å; M260-K264 CarbonylContact C-O 3.57Å; M260-K264 VanDerWaalsContact CA-O 3.32Å; M260-K264 WeakPolarHBondContact CA-O 3.45Å; M260-V265 HydrophobicContact CE-CB 4.49Å; M260-V265 VanDerWaalsContact SD-CA 3.55Å; M260-V265 HydrophobicContact SD-CB 3.83Å; M260-V265 HydrophobicContact SD-CG2 4.22Å; M260-I398 HydrophobicContact CE-CD1 3.82Å; M260-I398 HydrophobicContact SD-CD1 3.74Å
261	E	97	Very high	96.7	Very high	98 Å²	98	58 Å²	58	46%	0.458	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131	170.1	-67.5	172	-161.7	0	0	107.8	G263 K264 V266 R276	E261-G263 PolarHBondContact O-N 3.21Å; E261-G263 VanDerWaalsContact O-N 3.11Å; E261-K264 PolarHBondContact N-O 3.4Å; E261-K264 PolarHBondContact O-N 3.35Å; E261-K264 VanDerWaalsContact O-O 3.09Å; E261-V266 HydrophobicContact CB-CG1 3.8Å; E261-V266 HydrophobicContact CB-CG2 4.24Å; E261-V266 HydrophobicContact CG-CG1 4.11Å; E261-V266 HydrophobicContact CG-CG2 3.71Å; E261-R276 IonicContact OE1-CZ 3.79Å; E261-R276 IonicContact OE1-NH1 2.85Å; E261-R276 PolarHBondContact OE1-NH1 3.32Å; E261-R276 IonicContact OE1-NH2 3.81Å
262	D	95.3	Very high	96.7	Very high	178 Å²	178	58.2 Å²	58.2	95%	0.952	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	37.9	-178.1	-59.8	-38.9	0	0	0	114.5	K264	D262-K264 PolarHBondContact O-N 3.08Å
263	G	94.3	Very high	96.6	Very high	51 Å²	51	57.1 Å²	57.1	53%	0.526	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-0.1	179.5	0	0	0	0	0	115.1	M260 E261 S396	M260-G263 VanDerWaalsContact CE-O 3.25Å; M260-G263 WeakPolarHBondContact CE-O 3.05Å; E261-G263 PolarHBondContact O-N 3.21Å; E261-G263 VanDerWaalsContact O-N 3.11Å; G263-S396 WeakPolarHBondContact O-CA 3.26Å
264	K	97.9	Very high	96.6	Very high	93 Å²	93	58.3 Å²	58.3	40%	0.404	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	145.3	-179.3	177.6	171.9	167.2	167.1	0	111.8	M260 E261 D262 Q397	M260-K264 CarbonylContact C-O 3.57Å; M260-K264 VanDerWaalsContact CA-O 3.32Å; M260-K264 WeakPolarHBondContact CA-O 3.45Å; E261-K264 PolarHBondContact N-O 3.4Å; E261-K264 PolarHBondContact O-N 3.35Å; E261-K264 VanDerWaalsContact O-O 3.09Å; D262-K264 PolarHBondContact O-N 3.08Å; K264-Q397 HydrophobicContact CD-CG 3.97Å; K264-Q397 HydrophobicContact CG-CB 4.23Å; K264-Q397 HydrophobicContact CG-CG 4.08Å
265	V	98.2	Very high	96.6	Very high	1 Å²	1	56 Å²	56	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	136	174.9	70.2	0	0	0	0	111.1	I258 M260 L280 S396 Q397 I398	I258-V265 HydrophobicContact CG2-CG2 3.87Å; M260-V265 HydrophobicContact CE-CB 4.49Å; M260-V265 VanDerWaalsContact SD-CA 3.55Å; M260-V265 HydrophobicContact SD-CB 3.83Å; M260-V265 HydrophobicContact SD-CG2 4.22Å; V265-L280 HydrophobicContact CB-CB 4.49Å; V265-L280 HydrophobicContact CG1-CB 3.98Å; V265-L280 HydrophobicContact CG2-CB 4.06Å; V265-L280 HydrophobicContact CG2-CD2 4.15Å; V265-S396 PolarHBondContact N-O 2.85Å; V265-Q397 HydrophobicContact CG1-CB 4.01Å; V265-Q397 WeakPolarHBondContact CG1-O 3.33Å; V265-I398 HydrophobicContact CB-CD1 4.35Å; V265-I398 HydrophobicContact CB-CG1 3.88Å; V265-I398 HydrophobicContact CG1-CG1 4.12Å; V265-I398 HydrophobicContact CG2-CG1 4.5Å
266	V	98	Very high	96.7	Very high	26 Å²	26	58.7 Å²	58.7	16%	0.158	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-9.4	176.7	-65	0	0	0	0	113.3	V259 E261 R276 C277	V259-V266 HydrophobicContact CB-CG2 4.02Å; V259-V266 HydrophobicContact CG1-CG2 3.63Å; V259-V266 WeakPolarHBondContact O-CG2 3.46Å; V259-V266 PolarHBondContact O-N 2.92Å; E261-V266 HydrophobicContact CB-CG1 3.8Å; E261-V266 HydrophobicContact CB-CG2 4.24Å; E261-V266 HydrophobicContact CG-CG1 4.11Å; E261-V266 HydrophobicContact CG-CG2 3.71Å; V266-R276 CarbonylContact O-C 3.54Å; V266-R276 VanDerWaalsContact O-CA 3.27Å; V266-R276 WeakPolarHBondContact O-CA 3.26Å; V266-R276 WeakPolarHBondContact O-CD 3.45Å; V266-C277 CarbonylContact C-O 3.57Å; V266-C277 PolarHBondContact O-N 2.9Å
267	G	97.6	Very high	96.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171	-178.8	177.3	0	0	0	0	0	114	V259 A275	V259-G267 PolarHBondContact N-O 3.25Å; G267-A275 CarbonylContact C-O 3.55Å; G267-A275 WeakPolarHBondContact CA-O 3.11Å
268	V	97.9	Very high	96.8	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.8	177.1	-179	0	0	0	0	108.9	I8 L10 M33 I255 A275 L280	I8-V268 HydrophobicContact CB-CG2 4.48Å; I8-V268 HydrophobicContact CD1-CB 4.22Å; I8-V268 HydrophobicContact CD1-CG2 4.08Å; I8-V268 HydrophobicContact CG2-CB 4.49Å; I8-V268 HydrophobicContact CG2-CG2 3.85Å; L10-V268 HydrophobicContact CD1-CG2 4.34Å; L10-V268 HydrophobicContact CD2-CG1 4.3Å; L10-V268 HydrophobicContact CD2-CG2 4.48Å; M33-V268 HydrophobicContact CE-CB 4.02Å; M33-V268 HydrophobicContact CE-CG1 3.88Å; I255-V268 HydrophobicContact CD1-CG1 3.95Å; I255-V268 HydrophobicContact CG2-CG1 3.55Å; V268-A275 PolarHBondContact N-O 3.06Å; V268-A275 PolarHBondContact O-N 2.6Å; V268-L280 HydrophobicContact CG2-CD1 3.84Å
269	K	97.2	Very high	96.8	Very high	61 Å²	61	54.5 Å²	54.5	27%	0.265	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.8	176.9	-167.9	-176.8	176.6	-169.2	0	110.8	E256 E257 V259 E273 I274	E256-K269 HydrophobicContact CB-CG 4.45Å; E256-K269 PolarHBondContact N-O 3.37Å; E256-K269 WeakPolarHBondContact OE2-CE 3.42Å; E256-K269 IonicContact OE2-NZ 3.83Å; E257-K269 HydrophobicContact CB-CB 3.93Å; E257-K269 HydrophobicContact CB-CD 4.4Å; E257-K269 PolarHBondContact N-O 3.33Å; E257-K269 PolarHBondContact O-N 2.89Å; V259-K269 HydrophobicContact CG2-CB 4.35Å; K269-E273 CarbonylContact C-O 3.49Å; K269-E273 VanDerWaalsContact CA-O 3.25Å; K269-E273 WeakPolarHBondContact CA-O 3.49Å; K269-I274 HydrophobicContact CB-CG1 4.11Å; K269-I274 HydrophobicContact CG-CG1 3.96Å
270	S	96.7	Very high	96.9	Very high	5 Å²	5	53.7 Å²	53.7	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	128.4	177.1	-179.6	0	0	0	0	109.8	K253 P254 G272 E273	K253-S270 WeakPolarHBondContact CD-OG 2.85Å; K253-S270 WeakPolarHBondContact CE-OG 3.4Å; K253-S270 WeakPolarHBondContact CG-OG 3.33Å; P254-S270 WeakPolarHBondContact O-CB 3.38Å; P254-S270 PolarHBondContact O-OG 2.94Å; S270-G272 VanDerWaalsContact C-N 3.26Å; S270-G272 PolarHBondContact O-N 3.44Å; S270-E273 PolarHBondContact N-O 3.17Å; S270-E273 PolarHBondContact O-N 2.93Å
271	E	94.8	Very high	97	Very high	110 Å²	110	50.7 Å²	50.7	51%	0.514	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	42.6	178.4	-60.2	176.5	172.4	0	0	112.7	K253 P254 E256 E273	K253-E271 IonicContact NZ-OE2 3.32Å; K253-E271 PolarHBondContact NZ-OE2 3Å; P254-E271 HydrophobicContact CG-CG 3.98Å; E256-E271 WeakPolarHBondContact OE1-CA 3.35Å; E256-E271 PolarHBondContact OE1-N 3.34Å; E271-E273 PolarHBondContact O-N 3.16Å
272	G	93.9	Very high	97	Very high	57 Å²	57	46 Å²	46	59%	0.588	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	-4.4	-178.8	0	0	0	0	0	116.2	E256 S270	E256-G272 PolarHBondContact OE1-N 2.97Å; S270-G272 VanDerWaalsContact C-N 3.26Å; S270-G272 PolarHBondContact O-N 3.44Å
273	E	94.3	Very high	97.1	Very high	85 Å²	85	38.2 Å²	38.2	40%	0.397	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.4	177.5	-56.2	-166.3	134.6	0	0	111.8	M1 K269 S270 E271	M1-E273 PolarHBondContact N-OE1 3.35Å; M1-E273 PolarHBondContact N-OE2 3.35Å; K269-E273 CarbonylContact C-O 3.49Å; K269-E273 VanDerWaalsContact CA-O 3.25Å; K269-E273 WeakPolarHBondContact CA-O 3.49Å; S270-E273 PolarHBondContact N-O 3.17Å; S270-E273 PolarHBondContact O-N 2.93Å; E271-E273 PolarHBondContact O-N 3.16Å
274	I	96.3	Very high	97.2	Very high	50 Å²	50	36.1 Å²	36.1	26%	0.256	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.1	177	-59.4	173.6	0	0	0	109.6	V259 K269	V259-I274 HydrophobicContact CG2-CD1 4.43Å; V259-I274 HydrophobicContact CG2-CG2 4.25Å; K269-I274 HydrophobicContact CB-CG1 4.11Å; K269-I274 HydrophobicContact CG-CG1 3.96Å
275	A	97	Very high	97.2	Very high	11 Å²	11	33.9 Å²	33.9	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.1	166.3	0	0	0	0	0	109	Y5 I8 L31 G267 V268	Y5-A275 HydrophobicContact CD2-CB 4.34Å; Y5-A275 HydrophobicContact CE2-CB 4.17Å; I8-A275 HydrophobicContact CD1-CB 3.89Å; I8-A275 WeakPolarHBondContact CD1-O 3.46Å; L31-A275 HydrophobicContact CD2-CB 3.6Å; G267-A275 CarbonylContact C-O 3.55Å; G267-A275 WeakPolarHBondContact CA-O 3.11Å; V268-A275 PolarHBondContact N-O 3.06Å; V268-A275 PolarHBondContact O-N 2.6Å
276	R	97.9	Very high	97.1	Very high	98 Å²	98	35 Å²	35	37%	0.37	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.1	-177	-66.8	-71.5	-179	150.4	-6.8	111	E3 E4 Y5 E261 V266	E3-R276 PolarHBondContact O-N 3.13Å; E4-R276 HydrophobicContact CG-CB 4.31Å; Y5-R276 PolarHBondContact N-O 2.99Å; E261-R276 IonicContact OE1-CZ 3.79Å; E261-R276 IonicContact OE1-NH1 2.85Å; E261-R276 PolarHBondContact OE1-NH1 3.32Å; E261-R276 IonicContact OE1-NH2 3.81Å; V266-R276 CarbonylContact O-C 3.54Å; V266-R276 VanDerWaalsContact O-CA 3.27Å; V266-R276 WeakPolarHBondContact O-CA 3.26Å; V266-R276 WeakPolarHBondContact O-CD 3.45Å
277	C	98	Very high	97	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	163.9	176.9	69.6	0	0	0	0	114	Y5 I8 V266 Q279	Y5-C277 VanDerWaalsContact O-CA 3.29Å; Y5-C277 WeakPolarHBondContact O-CA 3.11Å; I8-C277 HydrophobicContact CB-CB 4.12Å; I8-C277 HydrophobicContact CD1-CB 3.62Å; I8-C277 HydrophobicContact CG1-CB 3.62Å; V266-C277 CarbonylContact C-O 3.57Å; V266-C277 PolarHBondContact O-N 2.9Å; C277-Q279 PolarHBondContact SG-O 2.82Å
278	K	98.1	Very high	96.8	Very high	98 Å²	98	38.8 Å²	38.8	43%	0.426	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-30.9	174.7	-59.4	171.1	-172.7	157	0	112.6	D6	D6-K278 WeakPolarHBondContact O-CB 3.47Å; D6-K278 PolarHBondContact O-N 2.71Å; D6-K278 IonicContact OD1-NZ 2.81Å; D6-K278 PolarHBondContact OD1-NZ 3.44Å
279	Q	98.5	Very high	96.7	Very high	32 Å²	32	44.7 Å²	44.7	15%	0.15	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.5	179.6	-60.9	-175.6	-59.1	0	0	109.9	D6 V7 I8 C277 Q397 F399 M424	D6-Q279 PolarHBondContact O-N 3.31Å; V7-Q279 WeakPolarHBondContact CA-O 3.45Å; I8-Q279 PolarHBondContact N-O 2.88Å; C277-Q279 PolarHBondContact SG-O 2.82Å; Q279-Q397 WeakPolarHBondContact CA-O 3.44Å; Q279-Q397 HydrophobicContact CG-CB 4.38Å; Q279-F399 HydrophobicContact CB-CD2 4.45Å; Q279-F399 HydrophobicContact CB-CE2 4.09Å; Q279-F399 HydrophobicContact CG-CE2 4.05Å; Q279-M424 HydrophobicContact CB-CE 4.28Å; Q279-M424 PolarHBondContact NE2-O 2.9Å
280	L	98.7	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.8	177.1	-178.4	66	0	0	0	109.8	I8 L10 I258 V265 V268 Q397 I398 F399	I8-L280 HydrophobicContact CB-CD1 3.88Å; I8-L280 HydrophobicContact CG2-CD1 3.65Å; I8-L280 CarbonylContact O-C 3.53Å; I8-L280 WeakPolarHBondContact O-CA 3.24Å; L10-L280 HydrophobicContact CD1-CD1 3.89Å; L10-L280 HydrophobicContact CD1-CD2 4.3Å; L10-L280 HydrophobicContact CG-CD1 3.79Å; I258-L280 HydrophobicContact CD1-CD2 3.88Å; I258-L280 HydrophobicContact CG1-CD2 4.02Å; I258-L280 HydrophobicContact CG2-CD2 3.67Å; V265-L280 HydrophobicContact CB-CB 4.49Å; V265-L280 HydrophobicContact CG1-CB 3.98Å; V265-L280 HydrophobicContact CG2-CB 4.06Å; V265-L280 HydrophobicContact CG2-CD2 4.15Å; V268-L280 HydrophobicContact CG2-CD1 3.84Å; L280-Q397 PolarHBondContact N-O 2.83Å; L280-I398 HydrophobicContact CB-CG1 4.35Å; L280-I398 HydrophobicContact CD2-CD1 4.5Å; L280-I398 HydrophobicContact CD2-CG1 4.27Å; L280-I398 HydrophobicContact CD2-CG2 4.24Å; L280-I398 CarbonylContact O-C 3.6Å; L280-I398 WeakPolarHBondContact O-CA 3.45Å; L280-F399 PolarHBondContact O-N 3.13Å
281	I	98.6	Very high	96.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138	167	-51.5	178.3	0	0	0	107.7	V7 I8 V9 L10 E16 L19 F399 M424	V7-I281 HydrophobicContact CG1-CD1 4.02Å; V7-I281 HydrophobicContact CG1-CG1 3.99Å; I8-I281 PolarHBondContact O-N 2.65Å; V9-I281 CarbonylContact C-O 3.44Å; V9-I281 WeakPolarHBondContact CA-O 3.11Å; V9-I281 HydrophobicContact CG1-CB 4.21Å; V9-I281 HydrophobicContact CG1-CG2 4.44Å; V9-I281 HydrophobicContact CG2-CB 4.21Å; V9-I281 HydrophobicContact CG2-CD1 4.1Å; V9-I281 HydrophobicContact CG2-CG1 4.4Å; L10-I281 PolarHBondContact N-O 3.01Å; E16-I281 HydrophobicContact CG-CG2 4.36Å; L19-I281 HydrophobicContact CB-CD1 3.81Å; L19-I281 HydrophobicContact CD1-CD1 4.32Å; L19-I281 HydrophobicContact CD1-CG2 4.03Å; I281-F399 WeakPolarHBondContact CA-O 3.34Å; I281-M424 HydrophobicContact CD1-CE 3.63Å; I281-M424 HydrophobicContact CD1-SD 3.43Å; I281-M424 WeakPolarHBondContact CD1-SD 3.32Å; I281-M424 HydrophobicContact CG1-CE 3.68Å; I281-M424 HydrophobicContact CG1-SD 3.65Å
282	C	98.3	Very high	96.7	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	-154	157.3	174.3	60.3	0	0	0	0	113.6	L10 Y286 F399 M400 S401	L10-C282 HydrophobicContact CB-CB 3.87Å; L10-C282 HydrophobicContact CD1-CB 4.45Å; L10-C282 HydrophobicContact CG-CB 4.48Å; L10-C282 WeakPolarHBondContact O-CA 3.45Å; C282-Y286 HydrophobicContact CB-CD2 4.38Å; C282-Y286 HydrophobicContact CB-CG 4.39Å; C282-F399 PolarHBondContact N-O 3.33Å; C282-M400 VanDerWaalsContact O-CA 3.23Å; C282-M400 WeakPolarHBondContact O-CA 3.39Å; C282-S401 PolarHBondContact O-N 3.37Å
283	D	97.3	Very high	96.8	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.07	22%	0.224	C	C	.	.			trans	-77.1	161.1	162.3	76.8	62.1	0	0	0	111.5	L10 S285 Y286 S401	L10-D283 PolarHBondContact O-N 3.08Å; D283-S285 PolarHBondContact O-N 3.27Å; D283-S285 WeakPolarHBondContact OD1-CA 3.37Å; D283-S285 WeakPolarHBondContact OD1-CB 3.35Å; D283-S285 PolarHBondContact OD1-N 3.31Å; D283-S285 PolarHBondContact OD1-OG 2.98Å; D283-Y286 PolarHBondContact O-N 2.89Å; D283-Y286 VanDerWaalsContact OD2-CE2 3.27Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.24Å; D283-S401 WeakPolarHBondContact CA-OG 3.26Å
284	P	97.1	Very high	97	Very high	7 Å²	7	45.9 Å²	45.9	5%	0.045	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-54.2	-29.9	-176.2	-29.9	36.8	0	0	0	115.3	Y286 L287 M288 Y387 M400 S401	P284-Y286 PolarHBondContact O-N 2.77Å; P284-Y286 VanDerWaalsContact O-N 3.08Å; P284-L287 CarbonylContact O-C 3.56Å; P284-L287 PolarHBondContact O-N 3.31Å; P284-L287 VanDerWaalsContact O-N 3.07Å; P284-M288 PolarHBondContact O-N 2.89Å; P284-Y387 HydrophobicContact CB-CG 4.38Å; P284-M400 HydrophobicContact CB-SD 4.1Å; P284-M400 HydrophobicContact CG-CG 4.2Å; P284-M400 HydrophobicContact CG-SD 4.11Å; P284-S401 WeakPolarHBondContact CG-O 3.42Å
285	S	96.8	Very high	97	Very high	47 Å²	47	44.6 Å²	44.6	33%	0.329	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-64.1	-18.3	-175.2	78.1	0	0	0	0	113.6	R35 D283	R35-S285 PolarHBondContact NH2-O 2.9Å; R35-S285 PolarHBondContact NH2-OG 2.49Å; R35-S285 VanDerWaalsContact NH2-OG 3.14Å; D283-S285 PolarHBondContact O-N 3.27Å; D283-S285 WeakPolarHBondContact OD1-CA 3.37Å; D283-S285 WeakPolarHBondContact OD1-CB 3.35Å; D283-S285 PolarHBondContact OD1-N 3.31Å; D283-S285 PolarHBondContact OD1-OG 2.98Å
286	Y	97.1	Very high	97	Very high	24 Å²	24	47.3 Å²	47.3	9%	0.094	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-85.1	-18.3	178.4	-71.9	-86.8	0	0	0	113.5	L10 G11 D34 R35 I255 C282 D283 P284	L10-Y286 HydrophobicContact CB-CD1 3.73Å; L10-Y286 HydrophobicContact CB-CD2 3.9Å; L10-Y286 HydrophobicContact CB-CE1 3.82Å; L10-Y286 HydrophobicContact CB-CE2 4Å; L10-Y286 HydrophobicContact CB-CG 3.75Å; L10-Y286 HydrophobicContact CD1-CD1 3.81Å; L10-Y286 HydrophobicContact CD1-CE1 4.45Å; L10-Y286 HydrophobicContact CD1-CG 4.13Å; L10-Y286 HydrophobicContact CG-CD1 4.33Å; G11-Y286 PolarHBondContact N-OH 2.8Å; D34-Y286 PolarHBondContact OD1-OH 3.01Å; R35-Y286 PolarHBondContact N-OH 2.74Å; R35-Y286 VanDerWaalsContact NH2-CA 3.31Å; I255-Y286 HydrophobicContact CB-CD1 4.34Å; I255-Y286 HydrophobicContact CB-CE1 4.34Å; I255-Y286 HydrophobicContact CG1-CD1 3.99Å; I255-Y286 HydrophobicContact CG1-CE1 3.61Å; C282-Y286 HydrophobicContact CB-CD2 4.38Å; C282-Y286 HydrophobicContact CB-CG 4.39Å; D283-Y286 PolarHBondContact O-N 2.89Å; D283-Y286 VanDerWaalsContact OD2-CE2 3.27Å; D283-Y286 WeakPolarHBondContact OD2-CE2 3.24Å; P284-Y286 PolarHBondContact O-N 2.77Å; P284-Y286 VanDerWaalsContact O-N 3.08Å
287	L	94.8	Very high	97	Very high	22 Å²	22	42.7 Å²	42.7	12%	0.115	23%	0.225	C	C	.	.			trans	-153.2	63.2	-174.2	-160.3	67.1	0	0	0	111.6	I258 P284 D289 R290 I398 M400	I258-L287 HydrophobicContact CD1-CB 4.42Å; I258-L287 HydrophobicContact CD1-CD1 4Å; P284-L287 CarbonylContact O-C 3.56Å; P284-L287 PolarHBondContact O-N 3.31Å; P284-L287 VanDerWaalsContact O-N 3.07Å; L287-D289 VanDerWaalsContact CD1-OD1 3.22Å; L287-D289 WeakPolarHBondContact CD1-OD1 3.47Å; L287-D289 WeakPolarHBondContact CG-OD1 3.41Å; L287-D289 PolarHBondContact O-N 2.97Å; L287-R290 HydrophobicContact CD2-CB 3.93Å; L287-R290 VanDerWaalsContact CD2-CD 3.46Å; L287-R290 HydrophobicContact CD2-CG 3.72Å; L287-R290 HydrophobicContact CG-CB 4.02Å; L287-R290 HydrophobicContact CG-CG 3.88Å; L287-R290 PolarHBondContact O-N 2.95Å; L287-I398 HydrophobicContact CD2-CD1 3.81Å; L287-I398 HydrophobicContact CD2-CG2 4.02Å; L287-M400 HydrophobicContact CB-CE 3.83Å; L287-M400 VanDerWaalsContact O-CE 3.23Å; L287-M400 WeakPolarHBondContact O-CE 3.43Å
288	M	94.7	Very high	97.1	Very high	84 Å²	84	42.3 Å²	42.3	41%	0.414	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-61.2	-24.8	-174.7	-66.9	-57.9	-56	0	0	114.3	P284 R290 S291 Y387	P284-M288 PolarHBondContact O-N 2.89Å; M288-R290 PolarHBondContact O-N 2.88Å; M288-S291 PolarHBondContact O-N 3.14Å; M288-S291 PolarHBondContact O-OG 3.05Å; M288-Y387 HydrophobicContact CE-CD1 3.69Å; M288-Y387 HydrophobicContact CE-CD2 4.08Å; M288-Y387 HydrophobicContact CE-CE1 3.32Å; M288-Y387 HydrophobicContact CE-CE2 3.73Å; M288-Y387 HydrophobicContact CE-CG 4.07Å
289	D	94.1	Very high	97.1	Very high	125 Å²	125	37.8 Å²	37.8	67%	0.668	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-71.5	-17.7	176	63.2	-47.1	0	0	0	113.3	L287	L287-D289 VanDerWaalsContact CD1-OD1 3.22Å; L287-D289 WeakPolarHBondContact CD1-OD1 3.47Å; L287-D289 WeakPolarHBondContact CG-OD1 3.41Å; L287-D289 PolarHBondContact O-N 2.97Å
290	R	94.7	Very high	97.1	Very high	68 Å²	68	36.5 Å²	36.5	26%	0.257	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-106.3	20.1	173.7	-59.4	-159.7	-171	-140.7	-6.1	113.5	L287 M288 T390 D391 M400	L287-R290 HydrophobicContact CD2-CB 3.93Å; L287-R290 VanDerWaalsContact CD2-CD 3.46Å; L287-R290 HydrophobicContact CD2-CG 3.72Å; L287-R290 HydrophobicContact CG-CB 4.02Å; L287-R290 HydrophobicContact CG-CG 3.88Å; L287-R290 PolarHBondContact O-N 2.95Å; M288-R290 PolarHBondContact O-N 2.88Å; R290-T390 PolarHBondContact O-N 3.18Å; R290-T390 PolarHBondContact O-OG1 3.4Å; R290-T390 VanDerWaalsContact O-OG1 3.07Å; R290-D391 IonicContact CZ-OD2 2.85Å; R290-D391 IonicContact NH1-OD2 3.96Å; R290-D391 PolarHBondContact NH1-OD2 2.95Å; R290-M400 HydrophobicContact CB-CE 4.13Å
291	S	96.1	Very high	97.1	Very high	15 Å²	15	36.5 Å²	36.5	11%	0.105	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.2	174.1	76.7	0	0	0	0	111	M288 A388	M288-S291 PolarHBondContact O-N 3.14Å; M288-S291 PolarHBondContact O-OG 3.05Å; S291-A388 CarbonylContact C-O 3.58Å; S291-A388 WeakPolarHBondContact CA-O 3.49Å
292	T	97.7	Very high	97.1	Very high	71 Å²	71	36.5 Å²	36.5	44%	0.436	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.5	173.9	-168.7	0	0	0	0	110.1	V294 Y387 A388 T390	T292-V294 HydrophobicContact CG2-CG1 4.07Å; T292-V294 PolarHBondContact O-N 3.28Å; T292-Y387 VanDerWaalsContact O-CA 3.31Å; T292-Y387 WeakPolarHBondContact O-CA 3.47Å; T292-A388 PolarHBondContact N-O 3.13Å; T292-A388 PolarHBondContact O-N 3.21Å; T292-T390 HydrophobicContact CG2-CG2 3.87Å
293	K	97.6	Very high	97.1	Very high	96 Å²	96	36.6 Å²	36.6	42%	0.417	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120.7	176.6	-178.8	173.2	177.1	164.8	0	109.1	Q296 D385 Q386 Y387	K293-Q296 VanDerWaalsContact NZ-NE2 3.13Å; K293-D385 HydrophobicContact CD-CB 4.34Å; K293-D385 VanDerWaalsContact CE-CG 3.4Å; K293-D385 VanDerWaalsContact CE-OD1 3.29Å; K293-D385 WeakPolarHBondContact CE-OD1 3.43Å; K293-D385 WeakPolarHBondContact CE-OD2 3.42Å; K293-D385 IonicContact NZ-OD1 3.81Å; K293-D385 PolarHBondContact NZ-OD1 3.32Å; K293-D385 IonicContact NZ-OD2 3.05Å; K293-D385 PolarHBondContact NZ-OD2 2.9Å; K293-Q386 CarbonylContact C-O 3.55Å; K293-Q386 WeakPolarHBondContact CA-O 3.37Å; K293-Y387 HydrophobicContact CB-CD1 4.25Å; K293-Y387 HydrophobicContact CB-CE1 3.85Å
294	V	96.8	Very high	97.2	Very high	93 Å²	93	36 Å²	36	56%	0.564	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	-6.2	-178.3	-64.2	0	0	0	0	113.5	T292 Q386 A388	T292-V294 HydrophobicContact CG2-CG1 4.07Å; T292-V294 PolarHBondContact O-N 3.28Å; V294-Q386 HydrophobicContact CG2-CB 3.88Å; V294-Q386 WeakPolarHBondContact CG2-O 3.49Å; V294-Q386 PolarHBondContact N-O 2.88Å; V294-A388 HydrophobicContact CG1-CB 3.61Å; V294-A388 HydrophobicContact CG2-CB 4.28Å
295	G	96.6	Very high	97.3	Very high	24 Å²	24	38.2 Å²	38.2	25%	0.247	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-166.6	177.6	0	0	0	0	0	112.8	Q386	G295-Q386 PolarHBondContact O-N 2.69Å
296	Q	98.1	Very high	97.3	Very high	67 Å²	67	38 Å²	38	31%	0.313	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.2	172.6	-63.3	-174.5	-65.9	0	0	109.5	K293 T356 V357 I383 S384 D385	K293-Q296 VanDerWaalsContact NZ-NE2 3.13Å; Q296-T356 WeakPolarHBondContact O-CA 3.33Å; Q296-V357 HydrophobicContact CB-CB 3.95Å; Q296-V357 HydrophobicContact CB-CG2 3.83Å; Q296-V357 PolarHBondContact O-N 2.74Å; Q296-I383 HydrophobicContact CB-CG2 4.43Å; Q296-S384 CarbonylContact C-O 3.49Å; Q296-S384 VanDerWaalsContact CA-O 3.32Å; Q296-S384 WeakPolarHBondContact CA-O 3.43Å; Q296-D385 VanDerWaalsContact CG-OD1 3.3Å; Q296-D385 WeakPolarHBondContact CG-OD1 3.29Å; Q296-D385 PolarHBondContact NE2-OD1 3.49Å
297	V	98.3	Very high	97.4	Very high	2 Å²	2	38 Å²	38	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.6	175.7	173.4	0	0	0	0	108.7	R299 T355 I383 S384 Q386 A406	V297-R299 HydrophobicContact CG1-CG 3.97Å; V297-T355 WeakPolarHBondContact CA-O 3.33Å; V297-I383 WeakPolarHBondContact O-CA 3.39Å; V297-S384 PolarHBondContact N-O 2.87Å; V297-S384 PolarHBondContact O-N 2.96Å; V297-Q386 HydrophobicContact CG2-CG 3.73Å; V297-A406 HydrophobicContact CG1-CB 3.77Å; V297-A406 HydrophobicContact CG2-CB 3.95Å
298	I	98.5	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.4	165.1	179.5	172.8	0	0	0	108.9	V300 S354 T355 V357 P362 E363 V366 V381 S382 I383	I298-V300 HydrophobicContact CD1-CG2 3.93Å; I298-V300 HydrophobicContact CG1-CG2 4.03Å; I298-S354 VanDerWaalsContact O-CA 3.22Å; I298-S354 WeakPolarHBondContact O-CA 3.23Å; I298-T355 HydrophobicContact CG2-CG2 3.6Å; I298-T355 PolarHBondContact N-O 2.98Å; I298-T355 PolarHBondContact O-N 3.26Å; I298-V357 HydrophobicContact CB-CG2 4.26Å; I298-V357 HydrophobicContact CG2-CG2 4.35Å; I298-P362 HydrophobicContact CB-CB 4.16Å; I298-P362 VanDerWaalsContact CD1-C 3.47Å; I298-P362 HydrophobicContact CD1-CB 3.9Å; I298-P362 WeakPolarHBondContact CD1-O 3.36Å; I298-P362 HydrophobicContact CG2-CB 4.43Å; I298-E363 HydrophobicContact CD1-CG 4.05Å; I298-V366 HydrophobicContact CD1-CG1 4.35Å; I298-V366 HydrophobicContact CD1-CG2 4.14Å; I298-V366 HydrophobicContact CG2-CG1 3.75Å; I298-V381 HydrophobicContact CD1-CG1 4.28Å; I298-S382 CarbonylContact C-O 3.58Å; I298-S382 WeakPolarHBondContact CA-O 3.46Å; I298-I383 HydrophobicContact CB-CG1 4.26Å; I298-I383 HydrophobicContact CG1-CG1 4.24Å
299	R	98.6	Very high	97.7	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.2	167.3	-56.8	-169.8	173.7	83.2	-0.3	110.2	L76 V297 V353 S382 Y404 D405	L76-R299 WeakPolarHBondContact O-CD 3.31Å; V297-R299 HydrophobicContact CG1-CG 3.97Å; R299-V353 CarbonylContact C-O 3.56Å; R299-V353 VanDerWaalsContact CA-O 3.24Å; R299-V353 WeakPolarHBondContact CA-O 3.38Å; R299-S382 PolarHBondContact N-O 3.41Å; R299-S382 PolarHBondContact O-N 3.39Å; R299-S382 PolarHBondContact O-OG 3.26Å; R299-Y404 PolarHBondContact NH2-O 3.01Å; R299-D405 PolarHBondContact NH2-O 3.1Å
300	V	98.7	Very high	97.7	Very high	4 Å²	4	39 Å²	39	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	106.5	175.9	-171.7	0	0	0	0	109.2	I298 I352 V353 V366 M370 K379 F380 V381	I298-V300 HydrophobicContact CD1-CG2 3.93Å; I298-V300 HydrophobicContact CG1-CG2 4.03Å; V300-I352 WeakPolarHBondContact O-CA 3.24Å; V300-V353 HydrophobicContact CB-CB 4.37Å; V300-V353 PolarHBondContact N-O 3.17Å; V300-V353 PolarHBondContact O-N 2.65Å; V300-V366 HydrophobicContact CG2-CG2 3.98Å; V300-M370 HydrophobicContact CB-SD 4.3Å; V300-M370 HydrophobicContact CG1-CE 4.23Å; V300-M370 HydrophobicContact CG1-SD 3.97Å; V300-K379 HydrophobicContact CG1-CB 4.41Å; V300-F380 WeakPolarHBondContact CA-O 3.3Å; V300-V381 HydrophobicContact CG1-CG2 4.1Å; V300-V381 HydrophobicContact CG2-CG1 4.39Å; V300-V381 HydrophobicContact CG2-CG2 4.21Å
301	I	98.8	Very high	97.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.9	174.1	-48.9	-179.2	0	0	0	107.7	F56 V74 L76 V350 I352 K379 F380	F56-I301 HydrophobicContact CE2-CD1 4.43Å; F56-I301 HydrophobicContact CZ-CD1 4.25Å; V74-I301 HydrophobicContact CG1-CD1 4.1Å; V74-I301 HydrophobicContact CG1-CG2 3.88Å; L76-I301 HydrophobicContact CD2-CD1 4.3Å; I301-V350 HydrophobicContact CG2-CG1 3.82Å; I301-I352 HydrophobicContact CB-CG1 4.23Å; I301-I352 HydrophobicContact CG1-CG1 4.11Å; I301-I352 HydrophobicContact CG1-CG2 4.4Å; I301-I352 HydrophobicContact CG2-CG1 3.95Å; I301-K379 CarbonylContact O-C 3.51Å; I301-K379 VanDerWaalsContact O-CA 3.32Å; I301-K379 WeakPolarHBondContact O-CA 3.49Å; I301-F380 HydrophobicContact CB-CB 4.1Å; I301-F380 HydrophobicContact CB-CD2 4.07Å; I301-F380 HydrophobicContact CG2-CD2 4.16Å; I301-F380 PolarHBondContact N-O 3.17Å; I301-F380 PolarHBondContact O-N 3.46Å
302	C	98.8	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.9	-177.3	-58.4	0	0	0	0	109.9	V350 A351 M370 L373 V376 Q378	C302-V350 WeakPolarHBondContact O-CA 3.5Å; C302-A351 WeakPolarHBondContact CA-O 3.32Å; C302-A351 HydrophobicContact CB-CB 4.4Å; C302-A351 WeakPolarHBondContact CB-O 3.48Å; C302-A351 PolarHBondContact N-O 2.9Å; C302-A351 PolarHBondContact O-N 2.85Å; C302-M370 VanDerWaalsContact SG-CE 3.52Å; C302-L373 HydrophobicContact CB-CD1 4.12Å; C302-V376 HydrophobicContact CB-CG1 3.77Å; C302-V376 HydrophobicContact CB-CG2 4.22Å; C302-Q378 WeakPolarHBondContact CA-O 3.37Å
303	I	98.7	Very high	97.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.6	170.1	-63.9	176	0	0	0	109.2	L49 M66 W72 Y349 E377 Q378 F380	L49-I303 HydrophobicContact CD1-CD1 3.89Å; L49-I303 HydrophobicContact CD2-CD1 4.49Å; M66-I303 HydrophobicContact CE-CB 4.42Å; M66-I303 HydrophobicContact CE-CD1 4.43Å; M66-I303 HydrophobicContact CE-CG2 3.95Å; M66-I303 HydrophobicContact SD-CD1 4.29Å; M66-I303 HydrophobicContact SD-CG2 3.66Å; W72-I303 HydrophobicContact CE3-CD1 4.45Å; W72-I303 HydrophobicContact CH2-CB 4.48Å; W72-I303 HydrophobicContact CH2-CD1 3.85Å; W72-I303 HydrophobicContact CH2-CG1 4.11Å; W72-I303 HydrophobicContact CH2-CG2 3.57Å; W72-I303 HydrophobicContact CZ3-CD1 3.71Å; W72-I303 HydrophobicContact CZ3-CG1 3.86Å; W72-I303 HydrophobicContact CZ3-CG2 4.14Å; I303-Y349 WeakPolarHBondContact CA-O 3.2Å; I303-E377 WeakPolarHBondContact O-CB 3.26Å; I303-E377 PolarHBondContact O-N 2.81Å; I303-Q378 HydrophobicContact CB-CB 4.39Å; I303-Q378 PolarHBondContact N-O 2.8Å; I303-F380 HydrophobicContact CD1-CE2 3.63Å; I303-F380 HydrophobicContact CD1-CZ 4Å; I303-F380 HydrophobicContact CG1-CE2 4.01Å
304	M	98.6	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.2	180	-47.5	176.1	-53.9	0	0	111.1	I308 M336 K348 Y349 A351 L373	M304-I308 HydrophobicContact CE-CD1 4.46Å; M304-I308 HydrophobicContact CE-CG1 3.82Å; M304-M336 HydrophobicContact CE-CG 4.2Å; M304-K348 WeakPolarHBondContact O-CA 3.33Å; M304-Y349 PolarHBondContact N-O 2.72Å; M304-Y349 PolarHBondContact O-N 3.29Å; M304-A351 HydrophobicContact CE-CB 3.78Å; M304-A351 HydrophobicContact SD-CB 4.18Å; M304-L373 HydrophobicContact SD-CB 3.87Å; M304-L373 HydrophobicContact SD-CD2 4.05Å; M304-L373 HydrophobicContact SD-CG 4.43Å
305	S	98.3	Very high	97.7	Very high	55 Å²	55	36.1 Å²	36.1	39%	0.385	21%	0.205	S	C	.	.	S	Bend	trans	-109.7	19.6	172.1	-72.3	0	0	0	0	113.4	K348 E377	S305-K348 WeakPolarHBondContact OG-CD 3.38Å; S305-K348 PolarHBondContact OG-NZ 3.27Å; S305-E377 VanDerWaalsContact CB-OE1 3.22Å; S305-E377 WeakPolarHBondContact CB-OE1 3.37Å; S305-E377 VanDerWaalsContact OG-CD 3.23Å; S305-E377 PolarHBondContact OG-OE1 3.17Å
306	H	98.4	Very high	97.8	Very high	41 Å²	41	35 Å²	35	19%	0.19	19%	0.193	C	C	.	.	S	Bend	trans	-145.3	153.9	178.2	61.6	80.3	0	0	0	110.1	Y349 L373 P375	H306-Y349 VanDerWaalsContact C-CE2 3.49Å; H306-Y349 WeakPolarHBondContact O-CD2 3.3Å; H306-L373 PolarHBondContact CE1-O 3.18Å; H306-L373 VanDerWaalsContact CE1-O 3.29Å; H306-P375 VanDerWaalsContact NE2-CD 3.26Å; H306-P375 WeakPolarHBondContact NE2-CD 3.4Å; H306-P375 PolarHBondContact NE2-O 2.85Å
307	P	98.3	Very high	97.8	Very high	25 Å²	25	31.8 Å²	31.8	16%	0.162	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-65.3	159.6	167.7	30	-35.1	0	0	0	110.4	K309 D313 Y349	P307-K309 PolarHBondContact O-N 3.31Å; P307-D313 HydrophobicContact CB-CB 4.46Å; P307-D313 HydrophobicContact CG-CB 4.04Å; P307-D313 WeakPolarHBondContact CG-OD1 3.4Å; P307-Y349 HydrophobicContact CB-CE1 4.11Å
308	I	98.4	Very high	97.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-67.8	134.7	175.4	-60.2	174.7	0	0	0	108.8	I116 M304 T311 I319 M336 A351 L373	I116-I308 HydrophobicContact CD1-CG2 4.26Å; M304-I308 HydrophobicContact CE-CD1 4.46Å; M304-I308 HydrophobicContact CE-CG1 3.82Å; I308-T311 HydrophobicContact CB-CG2 3.81Å; I308-T311 HydrophobicContact CG2-CG2 3.96Å; I308-T311 WeakPolarHBondContact O-CB 3.45Å; I308-T311 WeakPolarHBondContact O-CG2 3.43Å; I308-T311 PolarHBondContact O-N 3.39Å; I308-T311 PolarHBondContact O-OG1 3.47Å; I308-I319 HydrophobicContact CD1-CD1 3.82Å; I308-I319 HydrophobicContact CG2-CD1 4.04Å; I308-M336 HydrophobicContact CD1-CB 3.8Å; I308-M336 HydrophobicContact CD1-CE 4.49Å; I308-M336 HydrophobicContact CD1-CG 4.06Å; I308-M336 HydrophobicContact CG1-CE 4.47Å; I308-M336 HydrophobicContact CG1-CG 4.48Å; I308-A351 HydrophobicContact CD1-CB 4.46Å; I308-L373 HydrophobicContact CD1-CD2 3.44Å; I308-L373 VanDerWaalsContact CD1-CD2 3.44Å; I308-L373 HydrophobicContact CG1-CD2 3.71Å; I308-L373 HydrophobicContact CG2-CD2 4.47Å
309	K	97	Very high	97.8	Very high	134 Å²	134	31.7 Å²	31.7	58%	0.583	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	149.2	179	-66.6	175.5	-174.4	160.8	0	110.9	I116 P307 T311	I116-K309 WeakPolarHBondContact CD1-O 3.37Å; P307-K309 PolarHBondContact O-N 3.31Å; K309-T311 PolarHBondContact O-N 3.38Å
310	N	95.3	Very high	97.8	Very high	118 Å²	118	31.5 Å²	31.5	63%	0.631	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	21.6	-179.6	-54.5	-40.7	0	0	0	115	I116	I116-N310 HydrophobicContact CD1-CB 4.42Å; I116-N310 HydrophobicContact CG1-CB 3.94Å
311	T	96.3	Very high	97.7	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.025	18%	0.176	C	C	.	.	S	Bend	trans	-105.6	8.3	173.2	66.5	0	0	0	0	114.1	F109 I116 I308 K309 D313 A314	F109-T311 HydrophobicContact CD2-CG2 4.18Å; F109-T311 HydrophobicContact CE1-CG2 4.38Å; F109-T311 HydrophobicContact CE2-CG2 3.82Å; F109-T311 HydrophobicContact CZ-CG2 3.95Å; I116-T311 HydrophobicContact CD1-CG2 3.62Å; I308-T311 HydrophobicContact CB-CG2 3.81Å; I308-T311 HydrophobicContact CG2-CG2 3.96Å; I308-T311 WeakPolarHBondContact O-CB 3.45Å; I308-T311 WeakPolarHBondContact O-CG2 3.43Å; I308-T311 PolarHBondContact O-N 3.39Å; I308-T311 PolarHBondContact O-OG1 3.47Å; K309-T311 PolarHBondContact O-N 3.38Å; T311-D313 VanDerWaalsContact C-N 3.31Å; T311-D313 PolarHBondContact O-N 3.27Å; T311-A314 WeakPolarHBondContact O-CB 3.41Å; T311-A314 PolarHBondContact O-N 2.95Å; T311-A314 PolarHBondContact OG1-N 2.76Å
312	S	94.3	Very high	97.7	Very high	120 Å²	120	31.3 Å²	31.3	84%	0.839	18%	0.176	S	C	*	.	S	Bend	trans	56.4	44.4	-171.6	-59	0	0	0	0	112.5	A314	S312-A314 PolarHBondContact O-N 3.04Å
313	D	96	Very high	97.5	Very high	122 Å²	122	32.2 Å²	32.2	65%	0.652	18%	0.18	S	C	*	.	S	Bend	trans	53.7	36	-178.8	-56.3	-37	0	0	0	113.6	P307 T311 N315	P307-D313 HydrophobicContact CB-CB 4.46Å; P307-D313 HydrophobicContact CG-CB 4.04Å; P307-D313 WeakPolarHBondContact CG-OD1 3.4Å; T311-D313 VanDerWaalsContact C-N 3.31Å; T311-D313 PolarHBondContact O-N 3.27Å; D313-N315 PolarHBondContact O-N 2.96Å
314	A	97.4	Very high	97.3	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	20%	0.196	C	C	.	.			trans	-60	136.3	178.1	0	0	0	0	0	110.9	E106 T311 S312 S316 M336	E106-A314 HydrophobicContact CB-CB 4.2Å; T311-A314 WeakPolarHBondContact O-CB 3.41Å; T311-A314 PolarHBondContact O-N 2.95Å; T311-A314 PolarHBondContact OG1-N 2.76Å; S312-A314 PolarHBondContact O-N 3.04Å; A314-S316 VanDerWaalsContact C-N 3.3Å; A314-M336 WeakPolarHBondContact O-CE 3.31Å
315	N	98.2	Very high	97.2	Very high	30 Å²	30	37.2 Å²	37.2	16%	0.16	21%	0.205	C	C	.	.	S	Bend	trans	-84.4	-9.2	175.2	-61.5	-81.3	0	0	0	112.8	E106 D313 S338 Y339 T340	E106-N315 WeakPolarHBondContact OE2-CB 3.35Å; E106-N315 PolarHBondContact OE2-N 2.81Å; E106-N315 PolarHBondContact OE2-ND2 3.08Å; E106-N315 VanDerWaalsContact OE2-ND2 3.07Å; D313-N315 PolarHBondContact O-N 2.96Å; N315-S338 VanDerWaalsContact O-CB 3.26Å; N315-S338 WeakPolarHBondContact O-CB 3.47Å; N315-S338 PolarHBondContact O-OG 2.9Å; N315-Y339 PolarHBondContact OD1-OH 3.32Å; N315-Y339 VanDerWaalsContact OD1-OH 3.09Å; N315-T340 HydrophobicContact CB-CG2 3.61Å; N315-T340 WeakPolarHBondContact CB-OG1 3.38Å
316	S	98.6	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-159.3	142.3	172	53.1	0	0	0	0	110	I105 E106 G107 A314 M336 H341	I105-S316 WeakPolarHBondContact CA-OG 3.14Å; E106-S316 WeakPolarHBondContact CB-O 3.22Å; E106-S316 PolarHBondContact N-O 2.96Å; E106-S316 PolarHBondContact N-OG 2.99Å; G107-S316 PolarHBondContact N-O 2.93Å; A314-S316 VanDerWaalsContact C-N 3.3Å; S316-M336 CarbonylContact C-O 3.54Å; S316-M336 WeakPolarHBondContact CA-O 3.49Å; S316-M336 WeakPolarHBondContact CB-O 3.48Å; S316-H341 WeakPolarHBondContact CB-CE1 3.31Å; S316-H341 PolarHBondContact OG-CE1 2.76Å; S316-H341 VanDerWaalsContact OG-CE1 3.26Å
317	C	98.4	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	159.6	176	66.5	0	0	0	0	113.8	G107 F109 C335 M336	G107-C317 CarbonylContact O-C 3.45Å; G107-C317 WeakPolarHBondContact O-CA 3.36Å; G107-C317 WeakPolarHBondContact O-CB 3.02Å; F109-C317 HydrophobicContact CD2-CB 3.78Å; F109-C317 HydrophobicContact CE2-CB 3.58Å; C317-C335 WeakPolarHBondContact O-CA 3.47Å; C317-M336 PolarHBondContact N-O 3.04Å; C317-M336 PolarHBondContact O-N 3.13Å
318	Q	98.4	Very high	96.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.1	161.5	178.5	127.1	-80.9	0	0	109.2	F80 G107 S108 F109 Y224 I320 V334 T408	F80-Q318 HydrophobicContact CD2-CB 4.14Å; F80-Q318 HydrophobicContact CE2-CB 3.92Å; G107-Q318 PolarHBondContact O-N 3.3Å; S108-Q318 CarbonylContact C-O 3.57Å; F109-Q318 PolarHBondContact N-O 3.15Å; Y224-Q318 HydrophobicContact CD2-CB 4.15Å; Y224-Q318 HydrophobicContact CE2-CB 3.94Å; Y224-Q318 HydrophobicContact CE2-CG 4.16Å; Y224-Q318 PolarHBondContact OH-NE2 3.3Å; Q318-I320 HydrophobicContact CG-CD1 4.23Å; Q318-I320 HydrophobicContact CG-CG1 3.99Å; Q318-V334 CarbonylContact C-O 3.57Å; Q318-T408 PolarHBondContact OE1-OG1 2.76Å
319	I	98.4	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.2	167	-49.9	171.6	0	0	0	107.6	F109 I116 I308 V334 L372	F109-I319 HydrophobicContact CB-CG1 4.19Å; F109-I319 VanDerWaalsContact O-CA 3.32Å; F109-I319 WeakPolarHBondContact O-CA 3.44Å; I116-I319 HydrophobicContact CD1-CD1 4.02Å; I116-I319 HydrophobicContact CG2-CG2 3.74Å; I308-I319 HydrophobicContact CD1-CD1 3.82Å; I308-I319 HydrophobicContact CG2-CD1 4.04Å; I319-V334 HydrophobicContact CB-CB 4.04Å; I319-V334 HydrophobicContact CB-CG2 4.45Å; I319-V334 HydrophobicContact CD1-CB 4.4Å; I319-V334 HydrophobicContact CG1-CB 4.5Å; I319-V334 PolarHBondContact N-O 2.83Å; I319-V334 PolarHBondContact O-N 2.86Å; I319-L372 HydrophobicContact CG2-CD1 4.49Å
320	I	98.2	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.6	174	-63.5	168.2	0	0	0	107.9	F109 V110 Y111 H187 L191 Q318 P322 Y333	F109-I320 PolarHBondContact O-N 3.39Å; V110-I320 CarbonylContact C-O 3.54Å; V110-I320 WeakPolarHBondContact CA-O 3.3Å; Y111-I320 PolarHBondContact N-O 3.24Å; H187-I320 HydrophobicContact CB-CG2 4.31Å; H187-I320 WeakPolarHBondContact O-CD1 3.49Å; L191-I320 HydrophobicContact CD2-CD1 3.7Å; Q318-I320 HydrophobicContact CG-CD1 4.23Å; Q318-I320 HydrophobicContact CG-CG1 3.99Å; I320-P322 WeakPolarHBondContact O-CD 3.2Å; I320-Y333 HydrophobicContact CG1-CD1 4.15Å; I320-Y333 HydrophobicContact CG1-CE1 4.42Å
321	I	97.8	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	96.6	174	-48.7	-172.2	0	0	0	107.5	Y111 Q323 V326 D331 I332 A369 L372	Y111-I321 HydrophobicContact CD1-CG2 3.82Å; Y111-I321 HydrophobicContact CD2-CD1 4.42Å; Y111-I321 HydrophobicContact CE1-CG2 4.41Å; Y111-I321 HydrophobicContact CG-CG1 4.27Å; Y111-I321 HydrophobicContact CG-CG2 3.92Å; I321-Q323 PolarHBondContact O-N 3.5Å; I321-V326 HydrophobicContact CG2-CB 4.43Å; I321-V326 HydrophobicContact CG2-CG1 3.53Å; I321-V326 HydrophobicContact CG2-CG2 3.99Å; I321-D331 WeakPolarHBondContact O-CA 3.28Å; I321-I332 HydrophobicContact CB-CB 4.01Å; I321-I332 WeakPolarHBondContact CB-O 3.46Å; I321-I332 HydrophobicContact CD1-CB 4.26Å; I321-I332 HydrophobicContact CD1-CG2 4.41Å; I321-I332 HydrophobicContact CG1-CB 4.37Å; I321-I332 PolarHBondContact N-O 2.89Å; I321-I332 PolarHBondContact O-N 3.09Å; I321-A369 HydrophobicContact CD1-CB 3.7Å; I321-L372 HydrophobicContact CD1-CD1 4.32Å
322	P	97.1	Very high	96.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.209	C	C	.	.			trans	-58.9	137.6	-179.8	-23.7	34.1	0	0	0	111	V110 D183 H187 I320 N324 Q325 D331	V110-P322 HydrophobicContact CG2-CG 3.78Å; D183-P322 HydrophobicContact CB-CB 4.36Å; H187-P322 HydrophobicContact CB-CB 4.24Å; H187-P322 HydrophobicContact CB-CG 4.19Å; I320-P322 WeakPolarHBondContact O-CD 3.2Å; P322-N324 PolarHBondContact O-N 2.74Å; P322-N324 VanDerWaalsContact O-N 3.09Å; P322-Q325 HydrophobicContact CB-CG 4.2Å; P322-Q325 HydrophobicContact CG-CG 4.39Å; P322-Q325 WeakPolarHBondContact O-CB 3.28Å; P322-Q325 PolarHBondContact O-N 2.94Å; P322-D331 WeakPolarHBondContact CA-OD1 3.3Å
323	Q	95.6	Very high	97	Very high	18 Å²	18	34 Å²	34	8%	0.084	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-50.1	-38.3	-176.5	63.7	179.6	85.4	0	0	113.4	R193 I321 Q325 V326 N327 R328 K329 D331	R193-Q323 PolarHBondContact O-OE1 2.88Å; I321-Q323 PolarHBondContact O-N 3.5Å; Q323-Q325 VanDerWaalsContact C-N 3.26Å; Q323-Q325 PolarHBondContact O-N 3.43Å; Q323-V326 CarbonylContact O-C 3.53Å; Q323-V326 PolarHBondContact O-N 2.77Å; Q323-N327 PolarHBondContact O-N 2.91Å; Q323-R328 HydrophobicContact CB-CB 4.25Å; Q323-R328 WeakPolarHBondContact CB-O 3.22Å; Q323-R328 PolarHBondContact NE2-O 3.23Å; Q323-R328 PolarHBondContact O-N 3.32Å; Q323-K329 VanDerWaalsContact CD-O 3.27Å; Q323-K329 PolarHBondContact NE2-O 2.69Å; Q323-K329 VanDerWaalsContact NE2-O 3.13Å; Q323-K329 PolarHBondContact OE1-O 3.04Å; Q323-D331 PolarHBondContact N-OD1 3.44Å
324	N	95.3	Very high	97.2	Very high	65 Å²	65	28.1 Å²	28.1	35%	0.348	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-67.7	-24.9	-178.8	-66.7	-24.5	0	0	0	112.5	D183 D195 P322 V326	D183-N324 PolarHBondContact OD1-ND2 3.46Å; D183-N324 WeakPolarHBondContact OD2-CB 3.48Å; D195-N324 PolarHBondContact OD2-ND2 2.69Å; P322-N324 PolarHBondContact O-N 2.74Å; P322-N324 VanDerWaalsContact O-N 3.09Å; N324-V326 VanDerWaalsContact C-N 3.3Å; N324-V326 PolarHBondContact O-N 2.69Å
325	Q	95.4	Very high	97.2	Very high	41 Å²	41	27.9 Å²	27.9	19%	0.192	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-79.7	-14	178.9	-60.6	-65.5	-50.3	0	0	113	Y111 D183 P322 Q323	Y111-Q325 HydrophobicContact CD1-CB 3.92Å; Y111-Q325 HydrophobicContact CE1-CB 4.23Å; D183-Q325 PolarHBondContact OD2-NE2 2.89Å; D183-Q325 VanDerWaalsContact OD2-NE2 3.11Å; P322-Q325 HydrophobicContact CB-CG 4.2Å; P322-Q325 HydrophobicContact CG-CG 4.39Å; P322-Q325 WeakPolarHBondContact O-CB 3.28Å; P322-Q325 PolarHBondContact O-N 2.94Å; Q323-Q325 VanDerWaalsContact C-N 3.26Å; Q323-Q325 PolarHBondContact O-N 3.43Å
326	V	96	Very high	97.2	Very high	31 Å²	31	26.4 Å²	26.4	19%	0.188	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	14.7	-177.4	-68.7	0	0	0	0	113	Y111 I321 Q323 N324 R328 I332 P368	Y111-V326 HydrophobicContact CE1-CG1 4.16Å; I321-V326 HydrophobicContact CG2-CB 4.43Å; I321-V326 HydrophobicContact CG2-CG1 3.53Å; I321-V326 HydrophobicContact CG2-CG2 3.99Å; Q323-V326 CarbonylContact O-C 3.53Å; Q323-V326 PolarHBondContact O-N 2.77Å; N324-V326 VanDerWaalsContact C-N 3.3Å; N324-V326 PolarHBondContact O-N 2.69Å; V326-R328 HydrophobicContact CG2-CB 4.22Å; V326-R328 HydrophobicContact CG2-CG 3.88Å; V326-R328 PolarHBondContact O-N 3.14Å; V326-I332 HydrophobicContact CG2-CD1 4.21Å; V326-P368 HydrophobicContact CB-CG 4.34Å; V326-P368 HydrophobicContact CG1-CB 3.77Å; V326-P368 HydrophobicContact CG1-CG 3.81Å
327	N	95.6	Very high	97.2	Very high	158 Å²	158	26.5 Å²	26.5	85%	0.845	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	48.8	178.4	-169.3	55	0	0	0	113.3	Q323	Q323-N327 PolarHBondContact O-N 2.91Å
328	R	96.2	Very high	97.2	Very high	25 Å²	25	26.5 Å²	26.5	9%	0.094	13%	0.13	C	C	.	.			trans	-118	174.5	178.5	-68.3	-177.8	58.1	75.8	-10.5	111.5	Q323 V326 H330 T355 T356 E358 E365	Q323-R328 HydrophobicContact CB-CB 4.25Å; Q323-R328 WeakPolarHBondContact CB-O 3.22Å; Q323-R328 PolarHBondContact NE2-O 3.23Å; Q323-R328 PolarHBondContact O-N 3.32Å; V326-R328 HydrophobicContact CG2-CB 4.22Å; V326-R328 HydrophobicContact CG2-CG 3.88Å; V326-R328 PolarHBondContact O-N 3.14Å; R328-H330 WeakPolarHBondContact CB-O 3.36Å; R328-H330 PolarHBondContact NE-O 2.98Å; R328-T355 PolarHBondContact NH2-OG1 3.4Å; R328-T355 VanDerWaalsContact NH2-OG1 3.09Å; R328-T356 PolarHBondContact NH2-O 2.93Å; R328-E358 IonicContact CZ-OE1 3.21Å; R328-E358 IonicContact CZ-OE2 2.8Å; R328-E358 IonicContact NH1-OE2 2.7Å; R328-E358 IonicContact NH2-OE1 2.78Å; R328-E365 IonicContact CZ-OE2 3.85Å; R328-E365 IonicContact NH1-OE2 2.88Å; R328-E365 PolarHBondContact NH1-OE2 3.24Å; R328-E365 IonicContact NH2-OE2 2.84Å; R328-E365 PolarHBondContact NH2-OE2 2.71Å
329	K	95.6	Very high	97.2	Very high	150 Å²	150	29.1 Å²	29.1	65%	0.652	14%	0.14	S	C	*	.	S	Bend	trans	-100.5	-13.4	169.9	-62.8	178.4	-178.4	176.8	0	113.5	Q323 E358	Q323-K329 VanDerWaalsContact CD-O 3.27Å; Q323-K329 PolarHBondContact NE2-O 2.69Å; Q323-K329 VanDerWaalsContact NE2-O 3.13Å; Q323-K329 PolarHBondContact OE1-O 3.04Å; K329-E358 VanDerWaalsContact C-OE1 3.31Å; K329-E358 VanDerWaalsContact CA-OE1 3.29Å; K329-E358 WeakPolarHBondContact CA-OE1 3.33Å; K329-E358 WeakPolarHBondContact CB-OE1 3.43Å; K329-E358 PolarHBondContact N-OE1 3.05Å; K329-E358 PolarHBondContact N-OE2 2.77Å; K329-E358 VanDerWaalsContact N-OE2 3.15Å
330	H	95.6	Very high	97.2	Very high	57 Å²	57	30.5 Å²	30.5	26%	0.264	15%	0.148	S	C	.	.	S	Bend	trans	-134.4	143.4	177.6	-52.3	86.8	0	0	0	110.6	R328 E358	R328-H330 WeakPolarHBondContact CB-O 3.36Å; R328-H330 PolarHBondContact NE-O 2.98Å; H330-E358 IonicContact CE1-OE1 3.68Å; H330-E358 IonicContact CG-OE1 3.71Å; H330-E358 PolarHBondContact N-OE1 2.9Å; H330-E358 IonicContact ND1-OE1 3.95Å; H330-E358 PolarHBondContact ND1-OE1 3.29Å
331	D	97.2	Very high	97.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.148	C	C	.	.			trans	-61.3	158.2	175.8	-66.4	-8.7	0	0	0	112.9	H187 I321 P322 Q323 Y333 T355	H187-D331 IonicContact CE1-OD1 3.64Å; H187-D331 PolarHBondContact CE1-OD1 2.88Å; H187-D331 IonicContact CE1-OD2 3.61Å; H187-D331 IonicContact CG-OD1 2.77Å; H187-D331 IonicContact CG-OD2 3.05Å; H187-D331 IonicContact ND1-OD1 3.33Å; H187-D331 PolarHBondContact ND1-OD1 2.83Å; H187-D331 IonicContact ND1-OD2 3.91Å; H187-D331 PolarHBondContact ND1-OD2 3.14Å; I321-D331 WeakPolarHBondContact O-CA 3.28Å; P322-D331 WeakPolarHBondContact CA-OD1 3.3Å; Q323-D331 PolarHBondContact N-OD1 3.44Å; D331-Y333 HydrophobicContact CB-CE1 4.32Å; D331-Y333 HydrophobicContact CB-CE2 3.79Å; D331-T355 WeakPolarHBondContact O-CB 3.18Å; D331-T355 PolarHBondContact O-OG1 3.12Å
332	I	98.4	Very high	97.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.4	166.1	-49.8	164.7	0	0	0	107.9	I321 V326 V353 T355 E365 P368 A369	I321-I332 HydrophobicContact CB-CB 4.01Å; I321-I332 WeakPolarHBondContact CB-O 3.46Å; I321-I332 HydrophobicContact CD1-CB 4.26Å; I321-I332 HydrophobicContact CD1-CG2 4.41Å; I321-I332 HydrophobicContact CG1-CB 4.37Å; I321-I332 PolarHBondContact N-O 2.89Å; I321-I332 PolarHBondContact O-N 3.09Å; V326-I332 HydrophobicContact CG2-CD1 4.21Å; I332-V353 HydrophobicContact CG2-CG1 3.68Å; I332-T355 HydrophobicContact CG1-CG2 4.31Å; I332-E365 VanDerWaalsContact CD1-O 3.23Å; I332-E365 WeakPolarHBondContact CD1-O 3.26Å; I332-P368 HydrophobicContact CD1-CG 4.39Å; I332-A369 HydrophobicContact CG2-CB 3.86Å
333	Y	98.5	Very high	97.3	Very high	8 Å²	8	33.3 Å²	33.3	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.5	-179.8	-55.9	-90.1	0	0	0	110	I320 D331 V353 S354 A406 T407 T408	I320-Y333 HydrophobicContact CG1-CD1 4.15Å; I320-Y333 HydrophobicContact CG1-CE1 4.42Å; D331-Y333 HydrophobicContact CB-CE1 4.32Å; D331-Y333 HydrophobicContact CB-CE2 3.79Å; Y333-V353 CarbonylContact O-C 3.32Å; Y333-V353 VanDerWaalsContact O-CA 3.3Å; Y333-V353 WeakPolarHBondContact O-CA 3.24Å; Y333-S354 PolarHBondContact N-O 3.5Å; Y333-S354 PolarHBondContact O-N 3.02Å; Y333-A406 WeakPolarHBondContact CD2-O 3.48Å; Y333-T407 HydrophobicContact CE2-CG2 4.44Å; Y333-T408 VanDerWaalsContact CB-CG2 3.49Å; Y333-T408 HydrophobicContact CG-CG2 4.36Å
334	V	98.6	Very high	97.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.2	165.4	-168	0	0	0	0	108.2	Q318 I319 A351 I352 V353 A369 L373	Q318-V334 CarbonylContact C-O 3.57Å; I319-V334 HydrophobicContact CB-CB 4.04Å; I319-V334 HydrophobicContact CB-CG2 4.45Å; I319-V334 HydrophobicContact CD1-CB 4.4Å; I319-V334 HydrophobicContact CG1-CB 4.5Å; I319-V334 PolarHBondContact N-O 2.83Å; I319-V334 PolarHBondContact O-N 2.86Å; V334-A351 HydrophobicContact CG1-CB 4.29Å; V334-I352 WeakPolarHBondContact CA-O 3.41Å; V334-V353 HydrophobicContact CG1-CG2 4.29Å; V334-V353 HydrophobicContact CG2-CG1 4.44Å; V334-V353 HydrophobicContact CG2-CG2 4.09Å; V334-A369 HydrophobicContact CG2-CB 3.67Å; V334-L373 HydrophobicContact CG1-CD1 4.49Å; V334-L373 HydrophobicContact CG1-CD2 4.27Å
335	C	97.8	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.7	163	61	0	0	0	0	108.6	P78 F80 C317 A351 I352 T408	P78-C335 WeakPolarHBondContact CB-SG 3.2Å; P78-C335 WeakPolarHBondContact CG-SG 3.43Å; F80-C335 HydrophobicContact CD2-CB 4.42Å; F80-C335 HydrophobicContact CE1-CB 4.33Å; F80-C335 HydrophobicContact CE2-CB 3.65Å; F80-C335 HydrophobicContact CZ-CB 3.6Å; C317-C335 WeakPolarHBondContact O-CA 3.47Å; C335-A351 CarbonylContact O-C 3.59Å; C335-A351 WeakPolarHBondContact O-CA 3.48Å; C335-I352 PolarHBondContact N-O 3.01Å; C335-I352 VanDerWaalsContact N-O 3.14Å; C335-I352 PolarHBondContact O-N 3.49Å; C335-T408 HydrophobicContact CB-CG2 3.94Å
336	M	98.7	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.4	175.3	-179.2	-81.2	-76.8	0	0	109.3	M304 I308 A314 S316 C317 Y349 V350 A351	M304-M336 HydrophobicContact CE-CG 4.2Å; I308-M336 HydrophobicContact CD1-CB 3.8Å; I308-M336 HydrophobicContact CD1-CE 4.49Å; I308-M336 HydrophobicContact CD1-CG 4.06Å; I308-M336 HydrophobicContact CG1-CE 4.47Å; I308-M336 HydrophobicContact CG1-CG 4.48Å; A314-M336 WeakPolarHBondContact O-CE 3.31Å; S316-M336 CarbonylContact C-O 3.54Å; S316-M336 WeakPolarHBondContact CA-O 3.49Å; S316-M336 WeakPolarHBondContact CB-O 3.48Å; C317-M336 PolarHBondContact N-O 3.04Å; C317-M336 PolarHBondContact O-N 3.13Å; M336-Y349 HydrophobicContact CE-CD1 4.12Å; M336-Y349 HydrophobicContact SD-CD1 3.67Å; M336-Y349 HydrophobicContact SD-CG 4.48Å; M336-V350 WeakPolarHBondContact CA-O 3.49Å; M336-A351 HydrophobicContact CB-CB 4.09Å; M336-A351 HydrophobicContact CG-CB 4.08Å
337	I	98.6	Very high	97.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	165.6	170	54.8	-92.1	0	0	0	108.7	P78 F80 I105 Y226 V343 V350 I352	P78-I337 HydrophobicContact CB-CD1 4.45Å; F80-I337 HydrophobicContact CE1-CG2 3.82Å; F80-I337 HydrophobicContact CZ-CG2 4.2Å; I105-I337 HydrophobicContact CD1-CG2 4.12Å; Y226-I337 HydrophobicContact CD1-CG2 3.91Å; Y226-I337 HydrophobicContact CE1-CB 4.36Å; Y226-I337 HydrophobicContact CE1-CD1 4.48Å; Y226-I337 HydrophobicContact CE1-CG1 4.2Å; Y226-I337 HydrophobicContact CE1-CG2 3.95Å; Y226-I337 HydrophobicContact CG-CG2 4.2Å; I337-V343 HydrophobicContact CB-CG2 4.09Å; I337-V343 HydrophobicContact CG1-CG2 3.66Å; I337-V350 PolarHBondContact N-O 2.95Å; I337-V350 PolarHBondContact O-N 2.9Å; I337-I352 HydrophobicContact CD1-CD1 4.39Å
338	S	98.6	Very high	97.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-174.5	-171.1	64.8	0	0	0	0	111.9	N315 T340 H341 V343 K348	N315-S338 VanDerWaalsContact O-CB 3.26Å; N315-S338 WeakPolarHBondContact O-CB 3.47Å; N315-S338 PolarHBondContact O-OG 2.9Å; S338-T340 PolarHBondContact O-N 3.24Å; S338-T340 PolarHBondContact OG-N 3.36Å; S338-T340 PolarHBondContact OG-OG1 2.82Å; S338-H341 PolarHBondContact O-N 2.76Å; S338-V343 VanDerWaalsContact O-CG2 3.27Å; S338-V343 WeakPolarHBondContact O-CG2 3.32Å; S338-K348 WeakPolarHBondContact CA-O 3.45Å; S338-K348 WeakPolarHBondContact CB-O 3.46Å
339	Y	98.3	Very high	98	Very high	54 Å²	54	28.1 Å²	28.1	21%	0.212	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-46.6	-27.7	170.9	69.3	-84.6	0	0	0	114.7	N315 H341 N342 A344 A345 Q346 G347 K348	N315-Y339 PolarHBondContact OD1-OH 3.32Å; N315-Y339 VanDerWaalsContact OD1-OH 3.09Å; Y339-H341 PolarHBondContact O-N 3.4Å; Y339-N342 PolarHBondContact O-N 2.86Å; Y339-N342 PolarHBondContact O-OD1 2.87Å; Y339-A344 VanDerWaalsContact CA-O 3.31Å; Y339-A344 WeakPolarHBondContact CA-O 3.33Å; Y339-A344 WeakPolarHBondContact CB-O 3.33Å; Y339-A345 WeakPolarHBondContact CB-O 3.27Å; Y339-Q346 VanDerWaalsContact CD2-OE1 3.25Å; Y339-Q346 VanDerWaalsContact CE2-NE2 3.27Å; Y339-G347 VanDerWaalsContact CD1-N 3.31Å; Y339-K348 PolarHBondContact N-O 2.91Å; Y339-K348 VanDerWaalsContact N-O 3.16Å
340	T	98	Very high	98.2	Very high	30 Å²	30	21.1 Å²	21.1	18%	0.184	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-66.2	-15.1	176.2	61.2	0	0	0	0	114.8	K103 N315 S338	K103-T340 WeakPolarHBondContact CD-O 3.23Å; N315-T340 HydrophobicContact CB-CG2 3.61Å; N315-T340 WeakPolarHBondContact CB-OG1 3.38Å; S338-T340 PolarHBondContact O-N 3.24Å; S338-T340 PolarHBondContact OG-N 3.36Å; S338-T340 PolarHBondContact OG-OG1 2.82Å
341	H	98.5	Very high	98.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-106.6	8.1	173.7	-62.7	71.3	0	0	0	111.8	Y226 L228 Y229 S316 S338 Y339 V343	Y226-H341 HydrophobicContact CD1-CB 4.34Å; Y226-H341 AromaticContact CD1-CD2 3.76Å; Y226-H341 HydrophobicContact CE1-CB 4.5Å; L228-H341 CarbonylContact C-O 3.46Å; L228-H341 WeakPolarHBondContact CA-O 3.43Å; Y229-H341 PolarHBondContact N-O 2.91Å; S316-H341 WeakPolarHBondContact CB-CE1 3.31Å; S316-H341 PolarHBondContact OG-CE1 2.76Å; S316-H341 VanDerWaalsContact OG-CE1 3.26Å; S338-H341 PolarHBondContact O-N 2.76Å; Y339-H341 PolarHBondContact O-N 3.4Å; H341-V343 HydrophobicContact CB-CG1 4.32Å; H341-V343 HydrophobicContact CB-CG2 4.3Å; H341-V343 PolarHBondContact O-N 3.3Å
342	N	98.4	Very high	98.4	Very high	58 Å²	58	18.4 Å²	18.4	31%	0.31	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	30.3	-177.2	-51.9	-19.4	0	0	0	114.3	N73 Y229 Y339	N73-N342 PolarHBondContact ND2-O 3.14Å; Y229-N342 HydrophobicContact CD1-CB 3.46Å; Y229-N342 VanDerWaalsContact CD1-CB 3.46Å; Y229-N342 HydrophobicContact CE1-CB 3.45Å; Y229-N342 VanDerWaalsContact CE1-CB 3.45Å; Y229-N342 WeakPolarHBondContact CE1-ND2 3.37Å; Y229-N342 HydrophobicContact CG-CB 4.13Å; Y229-N342 PolarHBondContact OH-ND2 2.74Å; Y339-N342 PolarHBondContact O-N 2.86Å; Y339-N342 PolarHBondContact O-OD1 2.87Å
343	V	98.2	Very high	98.4	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.012	10%	0.097	C	C	.	.	S	Bend	trans	-103	-7.9	177.5	-64.1	0	0	0	0	113.7	D71 W72 N73 Y226 I337 S338 H341	D71-V343 CarbonylContact O-C 3.57Å; W72-V343 WeakPolarHBondContact CA-O 3.49Å; N73-V343 PolarHBondContact N-O 3.34Å; N73-V343 WeakPolarHBondContact O-CB 3.34Å; Y226-V343 HydrophobicContact CE1-CG1 4Å; I337-V343 HydrophobicContact CB-CG2 4.09Å; I337-V343 HydrophobicContact CG1-CG2 3.66Å; S338-V343 VanDerWaalsContact O-CG2 3.27Å; S338-V343 WeakPolarHBondContact O-CG2 3.32Å; H341-V343 HydrophobicContact CB-CG1 4.32Å; H341-V343 HydrophobicContact CB-CG2 4.3Å; H341-V343 PolarHBondContact O-N 3.3Å
344	A	98.6	Very high	98.4	Very high	5 Å²	5	18.2 Å²	18.2	4%	0.041	10%	0.097	C	C	.	.	S	Bend	trans	-150.3	157.4	-177.2	0	0	0	0	0	110.6	D71 W72 Y339 K348 V350	D71-A344 CarbonylContact O-C 3.58Å; D71-A344 WeakPolarHBondContact O-CA 3.1Å; D71-A344 PolarHBondContact O-N 3.06Å; W72-A344 HydrophobicContact CD2-CB 4.28Å; W72-A344 HydrophobicContact CE3-CB 3.78Å; W72-A344 HydrophobicContact CH2-CB 4.16Å; W72-A344 HydrophobicContact CZ3-CB 3.72Å; Y339-A344 VanDerWaalsContact CA-O 3.31Å; Y339-A344 WeakPolarHBondContact CA-O 3.33Å; Y339-A344 WeakPolarHBondContact CB-O 3.33Å; A344-K348 HydrophobicContact CB-CB 4Å; A344-V350 HydrophobicContact CB-CG2 4Å
345	A	98.4	Very high	98.4	Very high	6 Å²	6	18.2 Å²	18.2	5%	0.05	10%	0.097	C	C	.	.	S	Bend	trans	-59.1	154.4	173.7	0	0	0	0	0	112.2	M66 D71 W72 Y339 G347 K348	M66-A345 VanDerWaalsContact O-CB 3.29Å; M66-A345 WeakPolarHBondContact O-CB 3.23Å; D71-A345 HydrophobicContact CB-CB 4.34Å; W72-A345 HydrophobicContact CZ2-CB 4.18Å; Y339-A345 WeakPolarHBondContact CB-O 3.27Å; A345-G347 PolarHBondContact O-N 2.92Å; A345-K348 HydrophobicContact CB-CG 4.29Å; A345-K348 VanDerWaalsContact O-CB 3.23Å; A345-K348 WeakPolarHBondContact O-CB 3.31Å; A345-K348 PolarHBondContact O-N 2.58Å
346	Q	98	Very high	98.4	Very high	154 Å²	154	20 Å²	20	72%	0.72	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.5	128.1	-177.3	-174.8	63.2	27.4	0	0	112.6	Y339 K348	Y339-Q346 VanDerWaalsContact CD2-OE1 3.25Å; Y339-Q346 VanDerWaalsContact CE2-NE2 3.27Å; Q346-K348 VanDerWaalsContact C-N 3.28Å; Q346-K348 PolarHBondContact O-N 3.49Å
347	G	97.8	Very high	98.4	Very high	30 Å²	30	21.2 Å²	21.2	31%	0.309	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	0.9	-179.9	0	0	0	0	0	115.3	Y339 A345 Y349	Y339-G347 VanDerWaalsContact CD1-N 3.31Å; A345-G347 PolarHBondContact O-N 2.92Å; G347-Y349 WeakPolarHBondContact O-CE2 3.37Å
348	K	98.6	Very high	98.4	Very high	14 Å²	14	24.3 Å²	24.3	6%	0.061	13%	0.13	C	C	.	.			trans	-98.7	149	176.9	-58.5	-66.2	-174.4	173.4	0	112.6	S65 W72 M304 S305 S338 Y339 A344 A345 Q346 E377	S65-K348 WeakPolarHBondContact O-CE 3.38Å; S65-K348 PolarHBondContact O-NZ 3.22Å; W72-K348 HydrophobicContact CH2-CB 3.66Å; W72-K348 HydrophobicContact CH2-CD 4.47Å; W72-K348 HydrophobicContact CH2-CG 3.89Å; W72-K348 HydrophobicContact CZ2-CB 4.01Å; W72-K348 HydrophobicContact CZ2-CG 3.81Å; W72-K348 HydrophobicContact CZ3-CB 4.48Å; M304-K348 WeakPolarHBondContact O-CA 3.33Å; S305-K348 WeakPolarHBondContact OG-CD 3.38Å; S305-K348 PolarHBondContact OG-NZ 3.27Å; S338-K348 WeakPolarHBondContact CA-O 3.45Å; S338-K348 WeakPolarHBondContact CB-O 3.46Å; Y339-K348 PolarHBondContact N-O 2.91Å; Y339-K348 VanDerWaalsContact N-O 3.16Å; A344-K348 HydrophobicContact CB-CB 4Å; A345-K348 HydrophobicContact CB-CG 4.29Å; A345-K348 VanDerWaalsContact O-CB 3.23Å; A345-K348 WeakPolarHBondContact O-CB 3.31Å; A345-K348 PolarHBondContact O-N 2.58Å; Q346-K348 VanDerWaalsContact C-N 3.28Å; Q346-K348 PolarHBondContact O-N 3.49Å; K348-E377 VanDerWaalsContact NZ-CD 3.33Å; K348-E377 IonicContact NZ-OE1 3.15Å; K348-E377 PolarHBondContact NZ-OE1 3.24Å; K348-E377 VanDerWaalsContact NZ-OE1 3.15Å; K348-E377 IonicContact NZ-OE2 2.71Å; K348-E377 PolarHBondContact NZ-OE2 3.49Å
349	Y	98.8	Very high	98.3	Very high	20 Å²	20	27.5 Å²	27.5	8%	0.078	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.2	-179.9	-55.8	-103.9	0	0	0	109	I303 M304 H306 P307 M336 G347	I303-Y349 WeakPolarHBondContact CA-O 3.2Å; M304-Y349 PolarHBondContact N-O 2.72Å; M304-Y349 PolarHBondContact O-N 3.29Å; H306-Y349 VanDerWaalsContact C-CE2 3.49Å; H306-Y349 WeakPolarHBondContact O-CD2 3.3Å; P307-Y349 HydrophobicContact CB-CE1 4.11Å; M336-Y349 HydrophobicContact CE-CD1 4.12Å; M336-Y349 HydrophobicContact SD-CD1 3.67Å; M336-Y349 HydrophobicContact SD-CG 4.48Å; G347-Y349 WeakPolarHBondContact O-CE2 3.37Å
350	V	98.8	Very high	98.3	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	106.3	175.4	-175	0	0	0	0	107	W72 V74 I301 C302 M336 I337 A344 I352	W72-V350 HydrophobicContact CE3-CG2 4.23Å; W72-V350 HydrophobicContact CZ3-CG2 3.79Å; V74-V350 HydrophobicContact CG1-CG1 4.23Å; I301-V350 HydrophobicContact CG2-CG1 3.82Å; C302-V350 WeakPolarHBondContact O-CA 3.5Å; M336-V350 WeakPolarHBondContact CA-O 3.49Å; I337-V350 PolarHBondContact N-O 2.95Å; I337-V350 PolarHBondContact O-N 2.9Å; A344-V350 HydrophobicContact CB-CG2 4Å; V350-I352 HydrophobicContact CG1-CD1 3.76Å; V350-I352 HydrophobicContact CG1-CG1 3.97Å
351	A	98.7	Very high	98.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.9	173.4	0	0	0	0	0	109	C302 M304 I308 V334 C335 M336 L373	C302-A351 WeakPolarHBondContact CA-O 3.32Å; C302-A351 HydrophobicContact CB-CB 4.4Å; C302-A351 WeakPolarHBondContact CB-O 3.48Å; C302-A351 PolarHBondContact N-O 2.9Å; C302-A351 PolarHBondContact O-N 2.85Å; M304-A351 HydrophobicContact CE-CB 3.78Å; M304-A351 HydrophobicContact SD-CB 4.18Å; I308-A351 HydrophobicContact CD1-CB 4.46Å; V334-A351 HydrophobicContact CG1-CB 4.29Å; C335-A351 CarbonylContact O-C 3.59Å; C335-A351 WeakPolarHBondContact O-CA 3.48Å; M336-A351 HydrophobicContact CB-CB 4.09Å; M336-A351 HydrophobicContact CG-CB 4.08Å; A351-L373 HydrophobicContact CB-CD1 3.84Å; A351-L373 HydrophobicContact CB-CD2 3.88Å; A351-L373 HydrophobicContact CB-CG 4.49Å
352	I	98.7	Very high	98.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.6	-175.9	-62.1	150.4	0	0	0	107.5	P78 V300 I301 V334 C335 I337 V350	P78-I352 HydrophobicContact CB-CD1 3.86Å; P78-I352 HydrophobicContact CG-CB 3.66Å; P78-I352 HydrophobicContact CG-CD1 3.39Å; P78-I352 HydrophobicContact CG-CG1 4.05Å; P78-I352 HydrophobicContact CG-CG2 3.57Å; V300-I352 WeakPolarHBondContact O-CA 3.24Å; I301-I352 HydrophobicContact CB-CG1 4.23Å; I301-I352 HydrophobicContact CG1-CG1 4.11Å; I301-I352 HydrophobicContact CG1-CG2 4.4Å; I301-I352 HydrophobicContact CG2-CG1 3.95Å; V334-I352 WeakPolarHBondContact CA-O 3.41Å; C335-I352 PolarHBondContact N-O 3.01Å; C335-I352 VanDerWaalsContact N-O 3.14Å; C335-I352 PolarHBondContact O-N 3.49Å; I337-I352 HydrophobicContact CD1-CD1 4.39Å; V350-I352 HydrophobicContact CG1-CD1 3.76Å; V350-I352 HydrophobicContact CG1-CG1 3.97Å
353	V	98.8	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.4	179.4	-174.7	0	0	0	0	108.9	R299 V300 I332 Y333 V334 V366 A369 M370 L373	R299-V353 CarbonylContact C-O 3.56Å; R299-V353 VanDerWaalsContact CA-O 3.24Å; R299-V353 WeakPolarHBondContact CA-O 3.38Å; V300-V353 HydrophobicContact CB-CB 4.37Å; V300-V353 PolarHBondContact N-O 3.17Å; V300-V353 PolarHBondContact O-N 2.65Å; I332-V353 HydrophobicContact CG2-CG1 3.68Å; Y333-V353 CarbonylContact O-C 3.32Å; Y333-V353 VanDerWaalsContact O-CA 3.3Å; Y333-V353 WeakPolarHBondContact O-CA 3.24Å; V334-V353 HydrophobicContact CG1-CG2 4.29Å; V334-V353 HydrophobicContact CG2-CG1 4.44Å; V334-V353 HydrophobicContact CG2-CG2 4.09Å; V353-V366 HydrophobicContact CG1-CB 3.8Å; V353-V366 HydrophobicContact CG1-CG1 3.84Å; V353-A369 HydrophobicContact CB-CB 4.43Å; V353-A369 HydrophobicContact CG1-CB 3.47Å; V353-A369 VanDerWaalsContact CG1-CB 3.47Å; V353-A369 HydrophobicContact CG2-CB 4.05Å; V353-M370 HydrophobicContact CG2-SD 3.89Å; V353-L373 HydrophobicContact CG2-CD1 3.62Å
354	S	98.6	Very high	98.2	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.6	175.7	58.4	0	0	0	0	113.9	I298 Y333 A406	I298-S354 VanDerWaalsContact O-CA 3.22Å; I298-S354 WeakPolarHBondContact O-CA 3.23Å; Y333-S354 PolarHBondContact N-O 3.5Å; Y333-S354 PolarHBondContact O-N 3.02Å; S354-A406 PolarHBondContact OG-O 3.27Å
355	T	98.3	Very high	98.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	159.9	173.1	-169.2	0	0	0	0	110.4	V297 I298 R328 D331 I332 E365 V366	V297-T355 WeakPolarHBondContact CA-O 3.33Å; I298-T355 HydrophobicContact CG2-CG2 3.6Å; I298-T355 PolarHBondContact N-O 2.98Å; I298-T355 PolarHBondContact O-N 3.26Å; R328-T355 PolarHBondContact NH2-OG1 3.4Å; R328-T355 VanDerWaalsContact NH2-OG1 3.09Å; D331-T355 WeakPolarHBondContact O-CB 3.18Å; D331-T355 PolarHBondContact O-OG1 3.12Å; I332-T355 HydrophobicContact CG1-CG2 4.31Å; T355-E365 HydrophobicContact CG2-CB 4.47Å; T355-V366 HydrophobicContact CG2-CG1 3.79Å
356	T	97.8	Very high	98.1	Very high	37 Å²	37	45.3 Å²	45.3	23%	0.227	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	134.3	169.2	-53.6	0	0	0	0	109.3	Q296 R328	Q296-T356 WeakPolarHBondContact O-CA 3.33Å; R328-T356 PolarHBondContact NH2-O 2.93Å
357	V	98.4	Very high	98.1	Very high	25 Å²	25	42.2 Å²	42.2	15%	0.152	22%	0.224	C	C	.	.			trans	-72.5	130	-179.8	178.8	0	0	0	0	110.5	Q296 I298 T359 P362 I383	Q296-V357 HydrophobicContact CB-CB 3.95Å; Q296-V357 HydrophobicContact CB-CG2 3.83Å; Q296-V357 PolarHBondContact O-N 2.74Å; I298-V357 HydrophobicContact CB-CG2 4.26Å; I298-V357 HydrophobicContact CG2-CG2 4.35Å; V357-T359 VanDerWaalsContact CG1-O 3.31Å; V357-T359 WeakPolarHBondContact CG1-O 3.42Å; V357-P362 HydrophobicContact CG1-CB 4.18Å; V357-P362 HydrophobicContact CG1-CG 3.7Å; V357-P362 HydrophobicContact CG2-CB 4.08Å; V357-P362 HydrophobicContact CG2-CG 4.25Å; V357-I383 HydrophobicContact CG2-CG2 4.33Å
358	E	97.8	Very high	98.2	Very high	67 Å²	67	42.3 Å²	42.3	31%	0.313	22%	0.22	S	C	.	.			trans	-116.9	-15.5	178.9	-67.9	179.1	-168.3	0	0	113.6	R328 K329 H330 E365	R328-E358 IonicContact CZ-OE1 3.21Å; R328-E358 IonicContact CZ-OE2 2.8Å; R328-E358 IonicContact NH1-OE2 2.7Å; R328-E358 IonicContact NH2-OE1 2.78Å; K329-E358 VanDerWaalsContact C-OE1 3.31Å; K329-E358 VanDerWaalsContact CA-OE1 3.29Å; K329-E358 WeakPolarHBondContact CA-OE1 3.33Å; K329-E358 WeakPolarHBondContact CB-OE1 3.43Å; K329-E358 PolarHBondContact N-OE1 3.05Å; K329-E358 PolarHBondContact N-OE2 2.77Å; K329-E358 VanDerWaalsContact N-OE2 3.15Å; H330-E358 IonicContact CE1-OE1 3.68Å; H330-E358 IonicContact CG-OE1 3.71Å; H330-E358 PolarHBondContact N-OE1 2.9Å; H330-E358 IonicContact ND1-OE1 3.95Å; H330-E358 PolarHBondContact ND1-OE1 3.29Å; E358-E365 PolarHBondContact N-OE1 3.19Å; E358-E365 PolarHBondContact N-OE2 2.87Å
359	T	97.7	Very high	98.1	Very high	68 Å²	68	41.7 Å²	41.7	42%	0.417	22%	0.217	S	C	.	.	S	Bend	trans	-136.9	169.4	-171.3	78.3	0	0	0	0	112	V357 N361 E365	V357-T359 VanDerWaalsContact CG1-O 3.31Å; V357-T359 WeakPolarHBondContact CG1-O 3.42Å; T359-N361 PolarHBondContact O-N 2.99Å; T359-N361 PolarHBondContact OG1-N 2.99Å; T359-E365 WeakPolarHBondContact CA-OE1 3.42Å; T359-E365 VanDerWaalsContact CB-OE1 3.3Å; T359-E365 WeakPolarHBondContact CB-OE1 3.43Å; T359-E365 HydrophobicContact CG2-CG 4.28Å; T359-E365 PolarHBondContact N-OE1 3.13Å; T359-E365 PolarHBondContact OG1-OE1 2.9Å
360	D	97.3	Very high	98.1	Very high	177 Å²	177	41.5 Å²	41.5	95%	0.947	22%	0.217	S	C	*	.	S	Bend	trans	-75.4	0.6	175	-58.5	-34.9	0	0	0	113.4
361	N	97.2	Very high	98.1	Very high	89 Å²	89	45.7 Å²	45.7	48%	0.476	24%	0.239	S	C	.	.			trans	-128	73.1	176.8	-167	-11	0	0	0	112.1	T359 E363 M364	T359-N361 PolarHBondContact O-N 2.99Å; T359-N361 PolarHBondContact OG1-N 2.99Å; N361-E363 VanDerWaalsContact C-N 3.29Å; N361-E363 PolarHBondContact O-N 2.7Å; N361-M364 HydrophobicContact CB-CB 4.48Å; N361-M364 WeakPolarHBondContact ND2-CG 3.3Å; N361-M364 PolarHBondContact O-N 3.11Å; N361-M364 VanDerWaalsContact O-N 3.1Å
362	P	97.7	Very high	98.1	Very high	19 Å²	19	47.1 Å²	47.1	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-32	-170.2	-26.3	37.9	0	0	0	114.3	I298 V357 M364 E365 I383	I298-P362 HydrophobicContact CB-CB 4.16Å; I298-P362 VanDerWaalsContact CD1-C 3.47Å; I298-P362 HydrophobicContact CD1-CB 3.9Å; I298-P362 WeakPolarHBondContact CD1-O 3.36Å; I298-P362 HydrophobicContact CG2-CB 4.43Å; V357-P362 HydrophobicContact CG1-CB 4.18Å; V357-P362 HydrophobicContact CG1-CG 3.7Å; V357-P362 HydrophobicContact CG2-CB 4.08Å; V357-P362 HydrophobicContact CG2-CG 4.25Å; P362-M364 VanDerWaalsContact C-N 3.28Å; P362-M364 PolarHBondContact O-N 2.84Å; P362-E365 WeakPolarHBondContact O-CB 3.24Å; P362-E365 PolarHBondContact O-N 3.18Å; P362-I383 HydrophobicContact CB-CD1 3.99Å; P362-I383 HydrophobicContact CB-CG1 4.36Å; P362-I383 HydrophobicContact CG-CD1 3.86Å
363	E	97.6	Very high	98.1	Very high	116 Å²	116	47.1 Å²	47.1	54%	0.542	25%	0.246	S	C	.	.	H	α-helix	trans	-66.7	-29.8	178.9	-71.3	-171.7	-129.5	0	0	112.8	I298 N361 E365 V366 V381	I298-E363 HydrophobicContact CD1-CG 4.05Å; N361-E363 VanDerWaalsContact C-N 3.29Å; N361-E363 PolarHBondContact O-N 2.7Å; E363-E365 VanDerWaalsContact C-N 3.32Å; E363-V366 WeakPolarHBondContact O-CG2 3.37Å; E363-V381 HydrophobicContact CG-CG1 3.98Å
364	M	97.9	Very high	98	Very high	112 Å²	112	50.7 Å²	50.7	55%	0.552	26%	0.263	S	S	*	.	H	α-helix	trans	-73.6	-26.4	175.2	-72.4	-58.4	-56	0	0	112.4	N361 P362 V366 K367	N361-M364 HydrophobicContact CB-CB 4.48Å; N361-M364 WeakPolarHBondContact ND2-CG 3.3Å; N361-M364 PolarHBondContact O-N 3.11Å; N361-M364 VanDerWaalsContact O-N 3.1Å; P362-M364 VanDerWaalsContact C-N 3.28Å; P362-M364 PolarHBondContact O-N 2.84Å; M364-V366 VanDerWaalsContact C-N 3.27Å; M364-V366 PolarHBondContact O-N 3.32Å; M364-K367 HydrophobicContact CE-CD 3.79Å; M364-K367 VanDerWaalsContact O-CB 3.24Å; M364-K367 WeakPolarHBondContact O-CB 3.41Å; M364-K367 PolarHBondContact O-N 3.5Å
365	E	98.3	Very high	98	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.065	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-33	178.8	-62.7	-179.2	-144.3	0	0	112.1	R328 I332 T355 E358 T359 P362 E363 K367	R328-E365 IonicContact CZ-OE2 3.85Å; R328-E365 IonicContact NH1-OE2 2.88Å; R328-E365 PolarHBondContact NH1-OE2 3.24Å; R328-E365 IonicContact NH2-OE2 2.84Å; R328-E365 PolarHBondContact NH2-OE2 2.71Å; I332-E365 VanDerWaalsContact CD1-O 3.23Å; I332-E365 WeakPolarHBondContact CD1-O 3.26Å; T355-E365 HydrophobicContact CG2-CB 4.47Å; E358-E365 PolarHBondContact N-OE1 3.19Å; E358-E365 PolarHBondContact N-OE2 2.87Å; T359-E365 WeakPolarHBondContact CA-OE1 3.42Å; T359-E365 VanDerWaalsContact CB-OE1 3.3Å; T359-E365 WeakPolarHBondContact CB-OE1 3.43Å; T359-E365 HydrophobicContact CG2-CG 4.28Å; T359-E365 PolarHBondContact N-OE1 3.13Å; T359-E365 PolarHBondContact OG1-OE1 2.9Å; P362-E365 WeakPolarHBondContact O-CB 3.24Å; P362-E365 PolarHBondContact O-N 3.18Å; E363-E365 VanDerWaalsContact C-N 3.32Å; E365-K367 VanDerWaalsContact C-N 3.33Å
366	V	98.3	Very high	98	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.8	179.9	-65.1	0	0	0	0	113.6	I298 V300 V353 T355 E363 M364 P368 A369 M370	I298-V366 HydrophobicContact CD1-CG1 4.35Å; I298-V366 HydrophobicContact CD1-CG2 4.14Å; I298-V366 HydrophobicContact CG2-CG1 3.75Å; V300-V366 HydrophobicContact CG2-CG2 3.98Å; V353-V366 HydrophobicContact CG1-CB 3.8Å; V353-V366 HydrophobicContact CG1-CG1 3.84Å; T355-V366 HydrophobicContact CG2-CG1 3.79Å; E363-V366 WeakPolarHBondContact O-CG2 3.37Å; M364-V366 VanDerWaalsContact C-N 3.27Å; M364-V366 PolarHBondContact O-N 3.32Å; V366-P368 VanDerWaalsContact C-CD 3.44Å; V366-A369 WeakPolarHBondContact O-CB 3.48Å; V366-A369 PolarHBondContact O-N 3.45Å; V366-M370 HydrophobicContact CB-CG 4.49Å; V366-M370 HydrophobicContact CG2-CG 4.11Å; V366-M370 WeakPolarHBondContact O-CG 3.34Å; V366-M370 PolarHBondContact O-N 3.09Å
367	K	98.1	Very high	98	Very high	89 Å²	89	57.6 Å²	57.6	39%	0.387	30%	0.302	S	S	.	.	H	α-helix	trans	-51.2	-44.1	-178.4	177.2	166.4	172.5	39.9	0	114.2	M364 E365 A369 M370 D371	M364-K367 HydrophobicContact CE-CD 3.79Å; M364-K367 VanDerWaalsContact O-CB 3.24Å; M364-K367 WeakPolarHBondContact O-CB 3.41Å; M364-K367 PolarHBondContact O-N 3.5Å; E365-K367 VanDerWaalsContact C-N 3.33Å; K367-A369 PolarHBondContact O-N 3.02Å; K367-M370 PolarHBondContact O-N 2.78Å; K367-M370 VanDerWaalsContact O-N 3.12Å; K367-D371 IonicContact NZ-OD1 2.9Å; K367-D371 PolarHBondContact NZ-OD1 3.09Å; K367-D371 IonicContact NZ-OD2 2.77Å; K367-D371 PolarHBondContact NZ-OD2 2.94Å; K367-D371 VanDerWaalsContact O-CG 3.32Å; K367-D371 PolarHBondContact O-N 2.75Å
368	P	98.3	Very high	97.9	Very high	32 Å²	32	58.8 Å²	58.8	21%	0.208	31%	0.305	C	S	.	.	H	α-helix	trans	-58.1	-34.5	178.7	-26	35.9	0	0	0	113.8	V326 I332 V366	V326-P368 HydrophobicContact CB-CG 4.34Å; V326-P368 HydrophobicContact CG1-CB 3.77Å; V326-P368 HydrophobicContact CG1-CG 3.81Å; I332-P368 HydrophobicContact CD1-CG 4.39Å; V366-P368 VanDerWaalsContact C-CD 3.44Å
369	A	98.4	Very high	97.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-76.1	-43.5	174.4	0	0	0	0	0	111.5	I321 I332 V334 V353 V366 K367 D371 L372	I321-A369 HydrophobicContact CD1-CB 3.7Å; I332-A369 HydrophobicContact CG2-CB 3.86Å; V334-A369 HydrophobicContact CG2-CB 3.67Å; V353-A369 HydrophobicContact CB-CB 4.43Å; V353-A369 HydrophobicContact CG1-CB 3.47Å; V353-A369 VanDerWaalsContact CG1-CB 3.47Å; V353-A369 HydrophobicContact CG2-CB 4.05Å; V366-A369 WeakPolarHBondContact O-CB 3.48Å; V366-A369 PolarHBondContact O-N 3.45Å; K367-A369 PolarHBondContact O-N 3.02Å; A369-D371 VanDerWaalsContact C-N 3.27Å; A369-D371 PolarHBondContact O-N 3.24Å; A369-L372 VanDerWaalsContact O-CB 3.32Å; A369-L372 WeakPolarHBondContact O-CB 3.28Å; A369-L372 PolarHBondContact O-N 3.2Å
370	M	98.4	Very high	98	Very high	17 Å²	17	56.3 Å²	56.3	8%	0.084	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-38.9	179.4	-65	-56.1	-58.4	0	0	112.4	V300 C302 V353 V366 K367 L372 L373 E374 V376 K379	V300-M370 HydrophobicContact CB-SD 4.3Å; V300-M370 HydrophobicContact CG1-CE 4.23Å; V300-M370 HydrophobicContact CG1-SD 3.97Å; C302-M370 VanDerWaalsContact SG-CE 3.52Å; V353-M370 HydrophobicContact CG2-SD 3.89Å; V366-M370 HydrophobicContact CB-CG 4.49Å; V366-M370 HydrophobicContact CG2-CG 4.11Å; V366-M370 WeakPolarHBondContact O-CG 3.34Å; V366-M370 PolarHBondContact O-N 3.09Å; K367-M370 PolarHBondContact O-N 2.78Å; K367-M370 VanDerWaalsContact O-N 3.12Å; M370-L372 PolarHBondContact O-N 2.62Å; M370-L373 PolarHBondContact O-N 2.78Å; M370-L373 HydrophobicContact SD-CD1 4.45Å; M370-E374 PolarHBondContact O-N 3.25Å; M370-V376 HydrophobicContact CE-CG2 4.41Å; M370-K379 HydrophobicContact CE-CD 3.64Å; M370-K379 HydrophobicContact CE-CG 4.25Å
371	D	98.1	Very high	98	Very high	91 Å²	91	50.2 Å²	50.2	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-24.6	178	-69.7	-18	0	0	0	112.8	K367 A369 L373	K367-D371 IonicContact NZ-OD1 2.9Å; K367-D371 PolarHBondContact NZ-OD1 3.09Å; K367-D371 IonicContact NZ-OD2 2.77Å; K367-D371 PolarHBondContact NZ-OD2 2.94Å; K367-D371 VanDerWaalsContact O-CG 3.32Å; K367-D371 PolarHBondContact O-N 2.75Å; A369-D371 VanDerWaalsContact C-N 3.27Å; A369-D371 PolarHBondContact O-N 3.24Å; D371-L373 VanDerWaalsContact C-N 3.34Å
372	L	98.2	Very high	98	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.157	24%	0.244	C	C	.	.	H	α-helix	trans	-76	-23.1	175	-57.3	171.2	0	0	0	112.8	Y111 I116 I319 I321 A369 M370	Y111-L372 HydrophobicContact CD2-CD1 4.09Å; Y111-L372 HydrophobicContact CD2-CD2 4.42Å; Y111-L372 HydrophobicContact CE2-CD2 4.36Å; I116-L372 HydrophobicContact CG2-CD1 3.76Å; I116-L372 HydrophobicContact CG2-CD2 4.19Å; I319-L372 HydrophobicContact CG2-CD1 4.49Å; I321-L372 HydrophobicContact CD1-CD1 4.32Å; A369-L372 VanDerWaalsContact O-CB 3.32Å; A369-L372 WeakPolarHBondContact O-CB 3.28Å; A369-L372 PolarHBondContact O-N 3.2Å; M370-L372 PolarHBondContact O-N 2.62Å
373	L	98.4	Very high	98	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-95.4	-15.7	-170.8	-57.8	-175.6	0	0	0	113.6	C302 M304 H306 I308 V334 A351 V353 M370 D371 V376	C302-L373 HydrophobicContact CB-CD1 4.12Å; M304-L373 HydrophobicContact SD-CB 3.87Å; M304-L373 HydrophobicContact SD-CD2 4.05Å; M304-L373 HydrophobicContact SD-CG 4.43Å; H306-L373 PolarHBondContact CE1-O 3.18Å; 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 3.71Å; I308-L373 HydrophobicContact CG2-CD2 4.47Å; V334-L373 HydrophobicContact CG1-CD1 4.49Å; V334-L373 HydrophobicContact CG1-CD2 4.27Å; A351-L373 HydrophobicContact CB-CD1 3.84Å; A351-L373 HydrophobicContact CB-CD2 3.88Å; A351-L373 HydrophobicContact CB-CG 4.49Å; V353-L373 HydrophobicContact CG2-CD1 3.62Å; M370-L373 PolarHBondContact O-N 2.78Å; M370-L373 HydrophobicContact SD-CD1 4.45Å; D371-L373 VanDerWaalsContact C-N 3.34Å; L373-V376 HydrophobicContact CB-CG2 3.9Å
374	E	97.6	Very high	98	Very high	75 Å²	75	46.5 Å²	46.5	35%	0.35	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.1	139.8	-175	-68.8	-67.1	168.2	0	0	113.1	M370 V376 K379	M370-E374 PolarHBondContact O-N 3.25Å; E374-V376 PolarHBondContact OE2-N 3.1Å; E374-V376 VanDerWaalsContact OE2-N 3.1Å; E374-K379 IonicContact OE1-NZ 2.65Å; E374-K379 PolarHBondContact OE1-NZ 3.03Å
375	P	98.1	Very high	98	Very high	85 Å²	85	43.3 Å²	43.3	55%	0.552	23%	0.229	S	C	*	.	S	Bend	cis	-81.2	130.6	2.6	31.4	-36.6	0	0	0	115.6	H306	H306-P375 VanDerWaalsContact NE2-CD 3.26Å; H306-P375 WeakPolarHBondContact NE2-CD 3.4Å; H306-P375 PolarHBondContact NE2-O 2.85Å
376	V	98.2	Very high	98	Very high	25 Å²	25	43.3 Å²	43.3	15%	0.152	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-94.3	131.4	173.8	179.9	0	0	0	0	111.4	C302 M370 L373 E374 Q378 K379	C302-V376 HydrophobicContact CB-CG1 3.77Å; C302-V376 HydrophobicContact CB-CG2 4.22Å; M370-V376 HydrophobicContact CE-CG2 4.41Å; L373-V376 HydrophobicContact CB-CG2 3.9Å; E374-V376 PolarHBondContact OE2-N 3.1Å; E374-V376 VanDerWaalsContact OE2-N 3.1Å; V376-Q378 VanDerWaalsContact CG1-O 3.32Å; V376-Q378 WeakPolarHBondContact CG1-O 3.33Å; V376-K379 HydrophobicContact CB-CG 4.35Å; V376-K379 HydrophobicContact CG1-CD 4.32Å; V376-K379 HydrophobicContact CG1-CG 3.56Å
377	E	97.6	Very high	97.9	Very high	77 Å²	77	45.7 Å²	45.7	36%	0.36	24%	0.238	S	C	.	.	S	Bend	trans	-77.6	-42.7	179.3	-63.6	-167.4	168	0	0	112.9	M66 I303 S305 K348	M66-E377 HydrophobicContact CE-CB 3.85Å; M66-E377 WeakPolarHBondContact CE-OE2 3.3Å; I303-E377 WeakPolarHBondContact O-CB 3.26Å; I303-E377 PolarHBondContact O-N 2.81Å; S305-E377 VanDerWaalsContact CB-OE1 3.22Å; S305-E377 WeakPolarHBondContact CB-OE1 3.37Å; S305-E377 VanDerWaalsContact OG-CD 3.23Å; S305-E377 PolarHBondContact OG-OE1 3.17Å; K348-E377 VanDerWaalsContact NZ-CD 3.33Å; K348-E377 IonicContact NZ-OE1 3.15Å; K348-E377 PolarHBondContact NZ-OE1 3.24Å; K348-E377 VanDerWaalsContact NZ-OE1 3.15Å; K348-E377 IonicContact NZ-OE2 2.71Å; K348-E377 PolarHBondContact NZ-OE2 3.49Å
378	Q	97.9	Very high	97.9	Very high	49 Å²	49	42.2 Å²	42.2	23%	0.229	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	140.9	178.6	-176.9	57.7	31.8	0	0	110.8	L58 M66 C302 I303 V376 F380	L58-Q378 HydrophobicContact CD1-CG 4.34Å; M66-Q378 HydrophobicContact CE-CB 3.98Å; C302-Q378 WeakPolarHBondContact CA-O 3.37Å; I303-Q378 HydrophobicContact CB-CB 4.39Å; I303-Q378 PolarHBondContact N-O 2.8Å; V376-Q378 VanDerWaalsContact CG1-O 3.32Å; V376-Q378 WeakPolarHBondContact CG1-O 3.33Å; Q378-F380 HydrophobicContact CB-CE2 4.21Å; Q378-F380 HydrophobicContact CB-CZ 4.46Å; Q378-F380 HydrophobicContact CG-CD2 4.29Å; Q378-F380 HydrophobicContact CG-CE1 4.22Å; Q378-F380 HydrophobicContact CG-CE2 3.56Å; Q378-F380 HydrophobicContact CG-CZ 3.52Å
379	K	97.5	Very high	97.8	Very high	81 Å²	81	41.4 Å²	41.4	35%	0.352	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.5	177	-62.6	174.4	-171.3	179.6	0	110	V300 I301 M370 E374 V376	V300-K379 HydrophobicContact CG1-CB 4.41Å; I301-K379 CarbonylContact O-C 3.51Å; I301-K379 VanDerWaalsContact O-CA 3.32Å; I301-K379 WeakPolarHBondContact O-CA 3.49Å; M370-K379 HydrophobicContact CE-CD 3.64Å; M370-K379 HydrophobicContact CE-CG 4.25Å; E374-K379 IonicContact OE1-NZ 2.65Å; E374-K379 PolarHBondContact OE1-NZ 3.03Å; V376-K379 HydrophobicContact CB-CG 4.35Å; V376-K379 HydrophobicContact CG1-CD 4.32Å; V376-K379 HydrophobicContact CG1-CG 3.56Å
380	F	98.3	Very high	97.8	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111.7	172.1	-47.9	-103.3	0	0	0	107.8	L52 Y53 F56 L58 V300 I301 I303 Q378	L52-F380 HydrophobicContact CD2-CD1 4.13Å; L52-F380 HydrophobicContact CD2-CD2 4.13Å; L52-F380 HydrophobicContact CD2-CE1 3.79Å; L52-F380 HydrophobicContact CD2-CE2 3.82Å; L52-F380 HydrophobicContact CD2-CG 4.29Å; L52-F380 HydrophobicContact CD2-CZ 3.64Å; L52-F380 HydrophobicContact CG-CD1 3.97Å; L52-F380 HydrophobicContact CG-CE1 3.8Å; L52-F380 HydrophobicContact CG-CG 4.47Å; L52-F380 HydrophobicContact CG-CZ 4.18Å; Y53-F380 AromaticContact CD2-CE1 3.77Å; Y53-F380 HydrophobicContact CD2-CE1 3.77Å; Y53-F380 AromaticContact CD2-CZ 3.88Å; Y53-F380 HydrophobicContact CD2-CZ 3.88Å; Y53-F380 AromaticContact CE2-CE1 3.93Å; Y53-F380 HydrophobicContact CE2-CE1 3.93Å; Y53-F380 AromaticContact CE2-CZ 3.6Å; Y53-F380 HydrophobicContact CE2-CZ 3.6Å; Y53-F380 HydrophobicContact CG-CE1 4.37Å; F56-F380 HydrophobicContact CB-CD1 3.92Å; F56-F380 HydrophobicContact CD1-CB 3.73Å; F56-F380 HydrophobicContact CD2-CB 3.93Å; F56-F380 AromaticContact CD2-CD1 3.8Å; F56-F380 HydrophobicContact CD2-CD1 3.8Å; F56-F380 HydrophobicContact CD2-CG 4.26Å; F56-F380 HydrophobicContact CE1-CB 3.75Å; F56-F380 HydrophobicContact CE2-CB 3.98Å; F56-F380 HydrophobicContact CE2-CD1 4.48Å; F56-F380 HydrophobicContact CG-CB 3.8Å; F56-F380 AromaticContact CG-CD1 3.86Å; F56-F380 HydrophobicContact CG-CD1 3.86Å; F56-F380 HydrophobicContact CG-CG 4.33Å; F56-F380 HydrophobicContact CZ-CB 3.88Å; L58-F380 HydrophobicContact CD1-CD1 3.55Å; L58-F380 HydrophobicContact CD1-CE1 3.33Å; L58-F380 HydrophobicContact CD1-CZ 4.19Å; V300-F380 WeakPolarHBondContact CA-O 3.3Å; I301-F380 HydrophobicContact CB-CB 4.1Å; I301-F380 HydrophobicContact CB-CD2 4.07Å; I301-F380 HydrophobicContact CG2-CD2 4.16Å; I301-F380 PolarHBondContact N-O 3.17Å; I301-F380 PolarHBondContact O-N 3.46Å; I303-F380 HydrophobicContact CD1-CE2 3.63Å; I303-F380 HydrophobicContact CD1-CZ 4Å; I303-F380 HydrophobicContact CG1-CE2 4.01Å; Q378-F380 HydrophobicContact CB-CE2 4.21Å; Q378-F380 HydrophobicContact CB-CZ 4.46Å; Q378-F380 HydrophobicContact CG-CD2 4.29Å; Q378-F380 HydrophobicContact CG-CE1 4.22Å; Q378-F380 HydrophobicContact CG-CE2 3.56Å; Q378-F380 HydrophobicContact CG-CZ 3.52Å
381	V	98.1	Very high	97.6	Very high	49 Å²	49	46.4 Å²	46.4	30%	0.297	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131	-174.9	-178.1	0	0	0	0	109.3	F56 I298 V300 E363	F56-V381 WeakPolarHBondContact CD1-O 3.18Å; F56-V381 WeakPolarHBondContact CE1-O 3.32Å; I298-V381 HydrophobicContact CD1-CG1 4.28Å; V300-V381 HydrophobicContact CG1-CG2 4.1Å; V300-V381 HydrophobicContact CG2-CG1 4.39Å; V300-V381 HydrophobicContact CG2-CG2 4.21Å; E363-V381 HydrophobicContact CG-CG1 3.98Å
382	S	97.8	Very high	97.5	Very high	31 Å²	31	45.9 Å²	45.9	22%	0.217	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.9	171.4	55	0	0	0	0	110.2	I298 R299	I298-S382 CarbonylContact C-O 3.58Å; I298-S382 WeakPolarHBondContact CA-O 3.46Å; R299-S382 PolarHBondContact N-O 3.41Å; R299-S382 PolarHBondContact O-N 3.39Å; R299-S382 PolarHBondContact O-OG 3.26Å
383	I	97.9	Very high	97.4	Very high	80 Å²	80	44.4 Å²	44.4	41%	0.41	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.1	170.4	-60.5	160.8	0	0	0	106	Q296 V297 I298 V357 P362	Q296-I383 HydrophobicContact CB-CG2 4.43Å; V297-I383 WeakPolarHBondContact O-CA 3.39Å; I298-I383 HydrophobicContact CB-CG1 4.26Å; I298-I383 HydrophobicContact CG1-CG1 4.24Å; V357-I383 HydrophobicContact CG2-CG2 4.33Å; P362-I383 HydrophobicContact CB-CD1 3.99Å; P362-I383 HydrophobicContact CB-CG1 4.36Å; P362-I383 HydrophobicContact CG-CD1 3.86Å
384	S	96.7	Very high	97.3	Very high	35 Å²	35	48.3 Å²	48.3	25%	0.245	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.7	-174	-56.2	0	0	0	0	110.4	Q296 V297	Q296-S384 CarbonylContact C-O 3.49Å; Q296-S384 VanDerWaalsContact CA-O 3.32Å; Q296-S384 WeakPolarHBondContact CA-O 3.43Å; V297-S384 PolarHBondContact N-O 2.87Å; V297-S384 PolarHBondContact O-N 2.96Å
385	D	97.7	Very high	97.2	Very high	46 Å²	46	53 Å²	53	25%	0.246	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144	170.9	-73.1	-2.5	0	0	0	110.3	K293 Q296 Y387	K293-D385 HydrophobicContact CD-CB 4.34Å; K293-D385 VanDerWaalsContact CE-CG 3.4Å; K293-D385 VanDerWaalsContact CE-OD1 3.29Å; K293-D385 WeakPolarHBondContact CE-OD1 3.43Å; K293-D385 WeakPolarHBondContact CE-OD2 3.42Å; K293-D385 IonicContact NZ-OD1 3.81Å; K293-D385 PolarHBondContact NZ-OD1 3.32Å; K293-D385 IonicContact NZ-OD2 3.05Å; K293-D385 PolarHBondContact NZ-OD2 2.9Å; Q296-D385 VanDerWaalsContact CG-OD1 3.3Å; Q296-D385 WeakPolarHBondContact CG-OD1 3.29Å; Q296-D385 PolarHBondContact NE2-OD1 3.49Å; D385-Y387 HydrophobicContact CB-CD2 4.3Å; D385-Y387 HydrophobicContact CB-CE2 3.41Å; D385-Y387 VanDerWaalsContact CB-CE2 3.41Å; D385-Y387 PolarHBondContact OD2-OH 2.82Å
386	Q	97.5	Very high	97.2	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.065	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.1	176.1	-61.3	-65.4	-61.6	0	0	108.9	K293 V294 G295 V297 T403 Y404	K293-Q386 CarbonylContact C-O 3.55Å; K293-Q386 WeakPolarHBondContact CA-O 3.37Å; V294-Q386 HydrophobicContact CG2-CB 3.88Å; V294-Q386 WeakPolarHBondContact CG2-O 3.49Å; V294-Q386 PolarHBondContact N-O 2.88Å; G295-Q386 PolarHBondContact O-N 2.69Å; V297-Q386 HydrophobicContact CG2-CG 3.73Å; Q386-T403 VanDerWaalsContact NE2-CG2 3.29Å; Q386-T403 PolarHBondContact OE1-O 2.87Å; Q386-Y404 PolarHBondContact NE2-O 2.83Å; Q386-Y404 VanDerWaalsContact OE1-C 3.25Å; Q386-Y404 PolarHBondContact OE1-O 2.81Å
387	Y	97.9	Very high	97.2	Very high	51 Å²	51	49.7 Å²	49.7	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.8	-179.4	-65	-85	0	0	0	111.7	P284 M288 T292 K293 D385 T403	P284-Y387 HydrophobicContact CB-CG 4.38Å; M288-Y387 HydrophobicContact CE-CD1 3.69Å; M288-Y387 HydrophobicContact CE-CD2 4.08Å; M288-Y387 HydrophobicContact CE-CE1 3.32Å; M288-Y387 HydrophobicContact CE-CE2 3.73Å; M288-Y387 HydrophobicContact CE-CG 4.07Å; T292-Y387 VanDerWaalsContact O-CA 3.31Å; T292-Y387 WeakPolarHBondContact O-CA 3.47Å; K293-Y387 HydrophobicContact CB-CD1 4.25Å; K293-Y387 HydrophobicContact CB-CE1 3.85Å; D385-Y387 HydrophobicContact CB-CD2 4.3Å; D385-Y387 HydrophobicContact CB-CE2 3.41Å; D385-Y387 VanDerWaalsContact CB-CE2 3.41Å; D385-Y387 PolarHBondContact OD2-OH 2.82Å; Y387-T403 PolarHBondContact N-OG1 2.92Å; Y387-T403 PolarHBondContact O-N 3.2Å
388	A	97.1	Very high	97.3	Very high	17 Å²	17	46.1 Å²	46.1	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.2	170.3	0	0	0	0	0	110.1	S291 T292 V294 R402	S291-A388 CarbonylContact C-O 3.58Å; S291-A388 WeakPolarHBondContact CA-O 3.49Å; T292-A388 PolarHBondContact N-O 3.13Å; T292-A388 PolarHBondContact O-N 3.21Å; V294-A388 HydrophobicContact CG1-CB 3.61Å; V294-A388 HydrophobicContact CG2-CB 4.28Å; A388-R402 HydrophobicContact CB-CG 4.48Å
389	P	97.3	Very high	97.3	Very high	15 Å²	15	43.8 Å²	43.8	10%	0.097	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.3	178.1	25.6	-34.3	0	0	0	111.8	M392 M400	P389-M392 HydrophobicContact CG-SD 4.21Å; P389-M400 HydrophobicContact CB-CB 4.12Å; P389-M400 HydrophobicContact CB-CG 4.4Å; P389-M400 HydrophobicContact CB-SD 4.15Å
390	T	97	Very high	97.3	Very high	88 Å²	88	40.1 Å²	40.1	54%	0.54	23%	0.226	S	C	.	.	S	Bend	trans	-92.4	-20	166.2	55.7	0	0	0	0	112.1	R290 T292	R290-T390 PolarHBondContact O-N 3.18Å; R290-T390 PolarHBondContact O-OG1 3.4Å; R290-T390 VanDerWaalsContact O-OG1 3.07Å; T292-T390 HydrophobicContact CG2-CG2 3.87Å
391	D	94.6	Very high	97.3	Very high	34 Å²	34	40.1 Å²	40.1	18%	0.182	23%	0.226	C	C	.	.			trans	-110.1	120.3	174.2	177.4	6.7	0	0	0	109.9	R290 G393 S396	R290-D391 IonicContact CZ-OD2 2.85Å; R290-D391 IonicContact NH1-OD2 3.96Å; R290-D391 PolarHBondContact NH1-OD2 2.95Å; D391-G393 VanDerWaalsContact C-N 3.29Å; D391-G393 PolarHBondContact O-N 2.78Å; D391-G393 PolarHBondContact OD1-N 3.43Å; D391-S396 VanDerWaalsContact CG-OG 3.3Å; D391-S396 PolarHBondContact OD1-OG 3.38Å; D391-S396 WeakPolarHBondContact OD2-CB 3.41Å; D391-S396 PolarHBondContact OD2-OG 2.84Å
392	M	95.6	Very high	97.3	Very high	79 Å²	79	42.6 Å²	42.6	39%	0.389	23%	0.23	S	C	.	.			trans	-82.7	-4.7	-178.7	-61.1	-56	-77.3	0	0	113.3	P389 R423	P389-M392 HydrophobicContact CG-SD 4.21Å; M392-R423 VanDerWaalsContact CE-CD 3.43Å; M392-R423 WeakPolarHBondContact O-CD 3.49Å; M392-R423 PolarHBondContact O-NH1 3.43Å
393	G	96.9	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	91.4	0.2	170.2	0	0	0	0	0	115.8	D391 E395 Q397 I398 F399	D391-G393 VanDerWaalsContact C-N 3.29Å; D391-G393 PolarHBondContact O-N 2.78Å; D391-G393 PolarHBondContact OD1-N 3.43Å; G393-E395 PolarHBondContact O-N 2.77Å; G393-Q397 WeakPolarHBondContact O-CA 3.33Å; G393-Q397 PolarHBondContact O-N 2.95Å; G393-Q397 PolarHBondContact O-NE2 2.9Å; G393-I398 WeakPolarHBondContact CA-O 3.34Å; G393-F399 WeakPolarHBondContact O-CZ 3.09Å
394	A	95.6	Very high	97.2	Very high	81 Å²	81	38.8 Å²	38.8	67%	0.669	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-44	-177.4	0	0	0	0	0	112.3	Q397	A394-Q397 PolarHBondContact O-NE2 3Å
395	E	96.3	Very high	97.2	Very high	175 Å²	175	38.2 Å²	38.2	82%	0.818	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-49.1	178.6	-64.4	179.5	-176.7	0	0	111.3	G393 Q397	G393-E395 PolarHBondContact O-N 2.77Å; E395-Q397 VanDerWaalsContact C-N 3.27Å; E395-Q397 PolarHBondContact O-N 2.91Å
396	S	97.9	Very high	97	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.8	-175.3	64.7	0	0	0	0	114.2	G263 V265 D391 I398	G263-S396 WeakPolarHBondContact O-CA 3.26Å; V265-S396 PolarHBondContact N-O 2.85Å; D391-S396 VanDerWaalsContact CG-OG 3.3Å; D391-S396 PolarHBondContact OD1-OG 3.38Å; D391-S396 WeakPolarHBondContact OD2-CB 3.41Å; D391-S396 PolarHBondContact OD2-OG 2.84Å; S396-I398 PolarHBondContact O-N 3.14Å; S396-I398 PolarHBondContact OG-N 3.15Å
397	Q	98.6	Very high	96.8	Very high	37 Å²	37	35.7 Å²	35.7	17%	0.173	19%	0.19	C	C	.	.			trans	58	25.8	-170.2	-59.9	-66.2	-63.1	0	0	113.5	K264 V265 Q279 L280 G393 A394 E395 F399	K264-Q397 HydrophobicContact CD-CG 3.97Å; K264-Q397 HydrophobicContact CG-CB 4.23Å; K264-Q397 HydrophobicContact CG-CG 4.08Å; V265-Q397 HydrophobicContact CG1-CB 4.01Å; V265-Q397 WeakPolarHBondContact CG1-O 3.33Å; Q279-Q397 WeakPolarHBondContact CA-O 3.44Å; Q279-Q397 HydrophobicContact CG-CB 4.38Å; L280-Q397 PolarHBondContact N-O 2.83Å; G393-Q397 WeakPolarHBondContact O-CA 3.33Å; G393-Q397 PolarHBondContact O-N 2.95Å; G393-Q397 PolarHBondContact O-NE2 2.9Å; A394-Q397 PolarHBondContact O-NE2 3Å; E395-Q397 VanDerWaalsContact C-N 3.27Å; E395-Q397 PolarHBondContact O-N 2.91Å; Q397-F399 HydrophobicContact CB-CE2 4.36Å
398	I	98.5	Very high	96.4	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.5	170.1	-56.5	177.9	0	0	0	108.4	I258 M260 V265 L280 L287 G393 S396	I258-I398 HydrophobicContact CG2-CD1 4.23Å; M260-I398 HydrophobicContact CE-CD1 3.82Å; M260-I398 HydrophobicContact SD-CD1 3.74Å; V265-I398 HydrophobicContact CB-CD1 4.35Å; V265-I398 HydrophobicContact CB-CG1 3.88Å; V265-I398 HydrophobicContact CG1-CG1 4.12Å; V265-I398 HydrophobicContact CG2-CG1 4.5Å; L280-I398 HydrophobicContact CB-CG1 4.35Å; L280-I398 HydrophobicContact CD2-CD1 4.5Å; L280-I398 HydrophobicContact CD2-CG1 4.27Å; L280-I398 HydrophobicContact CD2-CG2 4.24Å; L280-I398 CarbonylContact O-C 3.6Å; L280-I398 WeakPolarHBondContact O-CA 3.45Å; L287-I398 HydrophobicContact CD2-CD1 3.81Å; L287-I398 HydrophobicContact CD2-CG2 4.02Å; G393-I398 WeakPolarHBondContact CA-O 3.34Å; S396-I398 PolarHBondContact O-N 3.14Å; S396-I398 PolarHBondContact OG-N 3.15Å
399	F	98.5	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	94.3	-176.2	-57.2	-83.4	0	0	0	109.6	Q279 L280 I281 C282 G393 Q397 I420 R423 M424	Q279-F399 HydrophobicContact CB-CD2 4.45Å; Q279-F399 HydrophobicContact CB-CE2 4.09Å; Q279-F399 HydrophobicContact CG-CE2 4.05Å; L280-F399 PolarHBondContact O-N 3.13Å; I281-F399 WeakPolarHBondContact CA-O 3.34Å; C282-F399 PolarHBondContact N-O 3.33Å; G393-F399 WeakPolarHBondContact O-CZ 3.09Å; Q397-F399 HydrophobicContact CB-CE2 4.36Å; F399-I420 HydrophobicContact CB-CG2 3.97Å; F399-R423 HydrophobicContact CD1-CB 3.78Å; F399-R423 VanDerWaalsContact CE1-C 3.41Å; F399-R423 HydrophobicContact CE1-CB 3.82Å; F399-R423 WeakPolarHBondContact CE1-O 3.45Å; F399-M424 HydrophobicContact CB-CG 3.94Å; F399-M424 HydrophobicContact CB-SD 4.38Å; F399-M424 HydrophobicContact CD1-CG 3.65Å; F399-M424 HydrophobicContact CD2-CE 4.27Å; F399-M424 HydrophobicContact CD2-CG 3.43Å; F399-M424 VanDerWaalsContact CD2-CG 3.43Å; F399-M424 HydrophobicContact CD2-SD 4.28Å; F399-M424 HydrophobicContact CE1-CB 4.47Å; F399-M424 HydrophobicContact CE1-CG 3.98Å; F399-M424 HydrophobicContact CE2-CB 4.44Å; F399-M424 HydrophobicContact CE2-CG 3.76Å; F399-M424 HydrophobicContact CG-CG 3.36Å; F399-M424 HydrophobicContact CG-SD 4.32Å; F399-M424 HydrophobicContact CZ-CB 4.4Å; F399-M424 HydrophobicContact CZ-CG 4.02Å
400	M	98.2	Very high	96	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	141.9	-179.1	177.9	-167.5	-65.2	0	0	111.6	C282 P284 L287 R290 P389 R423	C282-M400 VanDerWaalsContact O-CA 3.23Å; C282-M400 WeakPolarHBondContact O-CA 3.39Å; P284-M400 HydrophobicContact CB-SD 4.1Å; P284-M400 HydrophobicContact CG-CG 4.2Å; P284-M400 HydrophobicContact CG-SD 4.11Å; L287-M400 HydrophobicContact CB-CE 3.83Å; L287-M400 VanDerWaalsContact O-CE 3.23Å; L287-M400 WeakPolarHBondContact O-CE 3.43Å; R290-M400 HydrophobicContact CB-CE 4.13Å; P389-M400 HydrophobicContact CB-CB 4.12Å; P389-M400 HydrophobicContact CB-CG 4.4Å; P389-M400 HydrophobicContact CB-SD 4.15Å; M400-R423 PolarHBondContact O-NH2 2.63Å; M400-R423 VanDerWaalsContact O-NH2 3.15Å
401	S	98.2	Very high	95.7	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.021	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-84.7	167.5	172.4	62.6	0	0	0	0	113.3	E16 C282 D283 P284 D416	E16-S401 WeakPolarHBondContact OE1-CB 3.13Å; E16-S401 PolarHBondContact OE1-OG 3.12Å; C282-S401 PolarHBondContact O-N 3.37Å; D283-S401 WeakPolarHBondContact CA-OG 3.26Å; P284-S401 WeakPolarHBondContact CG-O 3.42Å; S401-D416 WeakPolarHBondContact CA-OD2 3.24Å; S401-D416 WeakPolarHBondContact CB-OD2 3.14Å
402	R	97.9	Very high	95.6	Very high	101 Å²	101	29.7 Å²	29.7	38%	0.381	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-91.6	147.3	173	-65.8	172.8	174.3	96.9	-3.1	110.2	A388 D416 D419	A388-R402 HydrophobicContact CB-CG 4.48Å; R402-D416 WeakPolarHBondContact CD-OD1 3.44Å; R402-D416 WeakPolarHBondContact CG-OD1 3.35Å; R402-D416 IonicContact CZ-OD1 2.69Å; R402-D416 PolarHBondContact N-OD2 3.29Å; R402-D416 IonicContact NE-OD1 3.95Å; R402-D416 IonicContact NH1-OD1 3.82Å; R402-D416 PolarHBondContact NH1-OD1 2.84Å; R402-D419 IonicContact NH1-OD2 3.32Å; R402-D419 PolarHBondContact NH1-OD2 3.2Å
403	T	97	Very high	95.6	Very high	14 Å²	14	26.2 Å²	26.2	9%	0.086	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-60.2	144.5	170.4	-55	0	0	0	0	111	E42 Q386 Y387 D405	E42-T403 WeakPolarHBondContact OE2-CG2 3.33Å; Q386-T403 VanDerWaalsContact NE2-CG2 3.29Å; Q386-T403 PolarHBondContact OE1-O 2.87Å; Y387-T403 PolarHBondContact N-OG1 2.92Å; Y387-T403 PolarHBondContact O-N 3.2Å; T403-D405 PolarHBondContact O-N 2.91Å
404	Y	96.7	Very high	95.4	Very high	16 Å²	16	26.3 Å²	26.3	6%	0.063	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-64.4	120.5	177.5	-60.2	-78.4	0	0	0	112.1	L14 T15 I77 R299 Q386 T413	L14-Y404 PolarHBondContact N-OH 2.74Å; T15-Y404 PolarHBondContact N-OH 3.4Å; T15-Y404 VanDerWaalsContact N-OH 3.12Å; I77-Y404 HydrophobicContact CD1-CD2 4.03Å; I77-Y404 HydrophobicContact CD1-CG 4.36Å; R299-Y404 PolarHBondContact NH2-O 3.01Å; Q386-Y404 PolarHBondContact NE2-O 2.83Å; Q386-Y404 VanDerWaalsContact OE1-C 3.25Å; Q386-Y404 PolarHBondContact OE1-O 2.81Å; Y404-T413 HydrophobicContact CD1-CG2 4.33Å; Y404-T413 HydrophobicContact CE1-CG2 3.81Å
405	D	95.3	Very high	95.4	Very high	24 Å²	24	25.4 Å²	25.4	13%	0.128	12%	0.122	C	C	.	.			trans	-69	178.8	178.5	72.3	14.2	0	0	0	113.8	K79 R193 R299 T403 T407 T412	K79-D405 PolarHBondContact NZ-O 3.5Å; K79-D405 IonicContact NZ-OD1 3.5Å; K79-D405 PolarHBondContact NZ-OD1 3.34Å; R193-D405 IonicContact CZ-OD2 3.93Å; R193-D405 IonicContact NH1-OD2 2.66Å; R193-D405 PolarHBondContact NH1-OD2 3.24Å; R299-D405 PolarHBondContact NH2-O 3.1Å; T403-D405 PolarHBondContact O-N 2.91Å; D405-T407 PolarHBondContact O-N 3.45Å; D405-T407 WeakPolarHBondContact OD1-CB 3.41Å; D405-T407 PolarHBondContact OD1-N 3.49Å; D405-T407 PolarHBondContact OD1-OG1 3.24Å; D405-T412 PolarHBondContact OD1-OG1 2.87Å; D405-T412 WeakPolarHBondContact OD2-CB 3.48Å; D405-T412 WeakPolarHBondContact OD2-CG2 3.46Å; D405-T412 PolarHBondContact OD2-OG1 3.42Å
406	A	94.9	Very high	95.4	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.033	9%	0.085	C	C	.	.	S	Bend	trans	-72.7	-7.4	-179.4	0	0	0	0	0	114.9	V297 Y333 S354	V297-A406 HydrophobicContact CG1-CB 3.77Å; V297-A406 HydrophobicContact CG2-CB 3.95Å; Y333-A406 WeakPolarHBondContact CD2-O 3.48Å; S354-A406 PolarHBondContact OG-O 3.27Å
407	T	93.1	Very high	95.4	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.018	8%	0.084	C	C	.	.			trans	-67.5	149.8	-177.7	65.1	0	0	0	0	110.7	K79 R193 Y333 D405 H409	K79-T407 PolarHBondContact NZ-O 3.4Å; K79-T407 PolarHBondContact NZ-OG1 3Å; R193-T407 HydrophobicContact CG-CG2 3.68Å; Y333-T407 HydrophobicContact CE2-CG2 4.44Å; D405-T407 PolarHBondContact O-N 3.45Å; D405-T407 WeakPolarHBondContact OD1-CB 3.41Å; D405-T407 PolarHBondContact OD1-N 3.49Å; D405-T407 PolarHBondContact OD1-OG1 3.24Å; T407-H409 VanDerWaalsContact C-N 3.31Å; T407-H409 PolarHBondContact OG1-O 2.61Å; T407-H409 VanDerWaalsContact OG1-O 3.13Å
408	T	89.4	Confident	95.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.087	C	C	.	.	S	Bend	trans	-97.4	26.2	176	46.7	0	0	0	0	112.1	K79 F80 Q318 Y333 C335	K79-T408 CarbonylContact C-O 3.58Å; K79-T408 WeakPolarHBondContact CA-O 3.49Å; F80-T408 PolarHBondContact N-O 3.46Å; Q318-T408 PolarHBondContact OE1-OG1 2.76Å; Y333-T408 VanDerWaalsContact CB-CG2 3.49Å; Y333-T408 HydrophobicContact CG-CG2 4.36Å; C335-T408 HydrophobicContact CB-CG2 3.94Å
409	H	92.4	Very high	95.2	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.028	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-141.5	168.8	172.7	55.3	77.4	0	0	0	110.9	K79 F80 T407	K79-H409 WeakPolarHBondContact CD-O 3.39Å; K79-H409 PolarHBondContact NZ-O 3Å; F80-H409 VanDerWaalsContact O-CA 3.26Å; F80-H409 WeakPolarHBondContact O-CA 3.31Å; T407-H409 VanDerWaalsContact C-N 3.31Å; T407-H409 PolarHBondContact OG1-O 2.61Å; T407-H409 VanDerWaalsContact OG1-O 3.13Å
410	F	93.5	Very high	95.2	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.035	10%	0.098	C	C	.	.	S	Bend	trans	-95.7	3.8	-170.9	-77.4	-69.6	0	0	0	116.6	L14 K79 F80 L81 L87 L231 T412 T413 C414	L14-F410 HydrophobicContact CD2-CD1 3.77Å; L14-F410 HydrophobicContact CD2-CE1 3.17Å; L14-F410 HydrophobicContact CD2-CE2 4.33Å; L14-F410 HydrophobicContact CD2-CZ 3.47Å; L14-F410 VanDerWaalsContact CD2-CZ 3.47Å; K79-F410 HydrophobicContact CB-CD1 3.94Å; K79-F410 HydrophobicContact CB-CD2 3.7Å; K79-F410 HydrophobicContact CB-CE1 3.67Å; K79-F410 HydrophobicContact CB-CE2 3.45Å; K79-F410 VanDerWaalsContact CB-CE2 3.45Å; K79-F410 HydrophobicContact CB-CG 3.96Å; K79-F410 HydrophobicContact CB-CZ 3.46Å; K79-F410 VanDerWaalsContact CB-CZ 3.46Å; K79-F410 HydrophobicContact CD-CD1 3.6Å; K79-F410 HydrophobicContact CD-CE1 3.56Å; K79-F410 HydrophobicContact CD-CG 4.27Å; K79-F410 HydrophobicContact CD-CZ 4.25Å; K79-F410 HydrophobicContact CG-CD1 4.42Å; K79-F410 HydrophobicContact CG-CE1 4.21Å; K79-F410 HydrophobicContact CG-CZ 4.41Å; K79-F410 WeakPolarHBondContact O-CE2 3.42Å; F80-F410 WeakPolarHBondContact O-CD2 3.35Å; F80-F410 PolarHBondContact O-N 2.79Å; L81-F410 HydrophobicContact CD1-CD2 4.25Å; L81-F410 HydrophobicContact CD1-CE2 3.99Å; L81-F410 HydrophobicContact CG-CD2 3.95Å; L81-F410 HydrophobicContact CG-CE2 4.16Å; L87-F410 HydrophobicContact CB-CB 4.4Å; L87-F410 HydrophobicContact CD2-CB 3.52Å; L87-F410 HydrophobicContact CD2-CD1 4.06Å; L87-F410 HydrophobicContact CD2-CD2 3.36Å; L87-F410 HydrophobicContact CD2-CE2 3.97Å; L87-F410 HydrophobicContact CD2-CG 3.38Å; L231-F410 HydrophobicContact CD1-CE2 4.22Å; L231-F410 HydrophobicContact CD1-CZ 3.72Å; L231-F410 HydrophobicContact CD2-CE2 3.72Å; L231-F410 HydrophobicContact CD2-CZ 3.78Å; L231-F410 HydrophobicContact CG-CZ 4.38Å; F410-T412 PolarHBondContact O-N 3.07Å; F410-T413 HydrophobicContact CD1-CG2 4.18Å; F410-T413 WeakPolarHBondContact O-CB 3.05Å; F410-T413 PolarHBondContact O-N 2.96Å; F410-T413 VanDerWaalsContact O-N 3.11Å; F410-C414 PolarHBondContact O-N 3.47Å; F410-C414 PolarHBondContact O-SG 3.23Å
411	E	90.1	Very high	95.1	Very high	30 Å²	30	20.1 Å²	20.1	14%	0.14	10%	0.098	C	C	.	.	H	α-helix	trans	-56.6	-48.4	-173.9	-166.4	63.5	-168.4	0	0	113.1	Q86 T413 C414 D415	Q86-E411 PolarHBondContact NE2-OE1 3.02Å; E411-T413 VanDerWaalsContact C-N 3.29Å; E411-T413 PolarHBondContact O-N 2.91Å; E411-C414 WeakPolarHBondContact O-CB 3.38Å; E411-C414 PolarHBondContact O-N 3.11Å; E411-D415 PolarHBondContact O-N 3.31Å
412	T	92.3	Very high	95	Very high	33 Å²	33	24.4 Å²	24.4	20%	0.202	12%	0.116	C	C	.	.	H	α-helix	trans	-67.3	-30	178.8	56.2	0	0	0	0	112.8	D405 F410 D416	D405-T412 PolarHBondContact OD1-OG1 2.87Å; D405-T412 WeakPolarHBondContact OD2-CB 3.48Å; D405-T412 WeakPolarHBondContact OD2-CG2 3.46Å; D405-T412 PolarHBondContact OD2-OG1 3.42Å; F410-T412 PolarHBondContact O-N 3.07Å; T412-D416 PolarHBondContact O-N 2.94Å; T412-D416 VanDerWaalsContact O-N 3.16Å
413	T	95.4	Very high	95	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.043	11%	0.105	C	C	.	.	H	α-helix	trans	-67.3	-37.9	170.9	-55.4	0	0	0	0	111.5	Y404 F410 E411 D416 I417	Y404-T413 HydrophobicContact CD1-CG2 4.33Å; Y404-T413 HydrophobicContact CE1-CG2 3.81Å; F410-T413 HydrophobicContact CD1-CG2 4.18Å; F410-T413 WeakPolarHBondContact O-CB 3.05Å; F410-T413 PolarHBondContact O-N 2.96Å; F410-T413 VanDerWaalsContact O-N 3.11Å; E411-T413 VanDerWaalsContact C-N 3.29Å; E411-T413 PolarHBondContact O-N 2.91Å; T413-D416 PolarHBondContact O-N 3.4Å; T413-I417 HydrophobicContact CG2-CD1 4.18Å; T413-I417 WeakPolarHBondContact O-CD1 3.38Å; T413-I417 VanDerWaalsContact O-CG1 3.31Å; T413-I417 WeakPolarHBondContact O-CG1 3.02Å; T413-I417 PolarHBondContact O-N 3Å
414	C	94.2	Very high	95	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	10%	0.104	C	C	.	.	H	α-helix	trans	-66.6	-39.9	175.8	-63.6	0	0	0	0	112	Q86 L87 F410 E411 D416 I417 K418	Q86-C414 HydrophobicContact CB-CB 3.99Å; L87-C414 VanDerWaalsContact CB-SG 3.52Å; L87-C414 PolarHBondContact N-SG 3.16Å; L87-C414 VanDerWaalsContact N-SG 3.45Å; F410-C414 PolarHBondContact O-N 3.47Å; F410-C414 PolarHBondContact O-SG 3.23Å; E411-C414 WeakPolarHBondContact O-CB 3.38Å; E411-C414 PolarHBondContact O-N 3.11Å; C414-D416 VanDerWaalsContact C-N 3.29Å; C414-D416 PolarHBondContact O-N 3.23Å; C414-I417 PolarHBondContact O-N 3.12Å; C414-K418 WeakPolarHBondContact O-CG 3.47Å; C414-K418 PolarHBondContact O-N 3.1Å
415	D	94.2	Very high	94.9	Very high	63 Å²	63	23.1 Å²	23.1	34%	0.337	12%	0.116	S	C	.	.	H	α-helix	trans	-60.2	-41.8	174.9	-68.1	-26.9	0	0	0	110.9	E411 K418 D419	E411-D415 PolarHBondContact O-N 3.31Å; D415-K418 PolarHBondContact O-N 3.22Å; D415-D419 WeakPolarHBondContact O-CB 3.4Å; D415-D419 PolarHBondContact O-N 3.24Å
416	D	97.5	Very high	94.9	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.032	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-43.4	176.1	-162.6	45.6	0	0	0	112.5	S401 R402 T412 T413 C414 K418 D419 I420	S401-D416 WeakPolarHBondContact CA-OD2 3.24Å; S401-D416 WeakPolarHBondContact CB-OD2 3.14Å; R402-D416 WeakPolarHBondContact CD-OD1 3.44Å; R402-D416 WeakPolarHBondContact CG-OD1 3.35Å; R402-D416 IonicContact CZ-OD1 2.69Å; R402-D416 PolarHBondContact N-OD2 3.29Å; R402-D416 IonicContact NE-OD1 3.95Å; R402-D416 IonicContact NH1-OD1 3.82Å; R402-D416 PolarHBondContact NH1-OD1 2.84Å; T412-D416 PolarHBondContact O-N 2.94Å; T412-D416 VanDerWaalsContact O-N 3.16Å; T413-D416 PolarHBondContact O-N 3.4Å; C414-D416 VanDerWaalsContact C-N 3.29Å; C414-D416 PolarHBondContact O-N 3.23Å; D416-K418 VanDerWaalsContact C-N 3.33Å; D416-K418 PolarHBondContact O-N 2.79Å; D416-D419 PolarHBondContact O-N 3.4Å; D416-I420 WeakPolarHBondContact O-CD1 3.25Å; D416-I420 VanDerWaalsContact O-CG1 3.26Å; D416-I420 WeakPolarHBondContact O-CG1 2.83Å; D416-I420 PolarHBondContact O-N 3.47Å
417	I	96.6	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-45.6	175.3	-69.6	160.1	0	0	0	111.1	T15 I18 L19 I22 M90 T413 C414 I420 Y421	T15-I417 HydrophobicContact CG2-CG1 3.86Å; I18-I417 HydrophobicContact CB-CD1 4.14Å; I18-I417 HydrophobicContact CD1-CD1 3.48Å; I18-I417 VanDerWaalsContact CD1-CD1 3.48Å; I18-I417 HydrophobicContact CG1-CD1 4.41Å; I18-I417 HydrophobicContact CG2-CD1 4.07Å; I18-I417 HydrophobicContact CG2-CG2 3.93Å; L19-I417 HydrophobicContact CD2-CG2 4.08Å; L19-I417 HydrophobicContact CG-CG2 4.3Å; I22-I417 HydrophobicContact CD1-CG2 4.4Å; M90-I417 HydrophobicContact CE-CG2 4.03Å; M90-I417 HydrophobicContact SD-CD1 4.5Å; M90-I417 HydrophobicContact SD-CG2 3.95Å; T413-I417 HydrophobicContact CG2-CD1 4.18Å; T413-I417 WeakPolarHBondContact O-CD1 3.38Å; T413-I417 VanDerWaalsContact O-CG1 3.31Å; T413-I417 WeakPolarHBondContact O-CG1 3.02Å; T413-I417 PolarHBondContact O-N 3Å; C414-I417 PolarHBondContact O-N 3.12Å; I417-I420 PolarHBondContact O-N 3.12Å; I417-Y421 VanDerWaalsContact O-CB 3.32Å; I417-Y421 WeakPolarHBondContact O-CB 3.44Å; I417-Y421 PolarHBondContact O-N 2.82Å
418	K	95.8	Very high	94.8	Very high	55 Å²	55	33.8 Å²	33.8	24%	0.239	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-41.3	179.3	-73.1	165	59.3	-163.6	0	111.8	M90 C414 D415 D416 Y421 K422 F429	M90-K418 HydrophobicContact CE-CD 4.09Å; M90-K418 HydrophobicContact CE-CG 3.73Å; C414-K418 WeakPolarHBondContact O-CG 3.47Å; C414-K418 PolarHBondContact O-N 3.1Å; D415-K418 PolarHBondContact O-N 3.22Å; D416-K418 VanDerWaalsContact C-N 3.33Å; D416-K418 PolarHBondContact O-N 2.79Å; K418-Y421 PolarHBondContact O-N 2.8Å; K418-K422 WeakPolarHBondContact O-CB 3.32Å; K418-K422 PolarHBondContact O-N 3.12Å; K418-F429 HydrophobicContact CB-CB 4.34Å; K418-F429 HydrophobicContact CG-CB 3.89Å; K418-F429 HydrophobicContact CG-CD1 4.48Å; K418-F429 HydrophobicContact CG-CG 4.1Å
419	D	97.5	Very high	94.8	Very high	46 Å²	46	34.4 Å²	34.4	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-50.7	174.9	175.4	65.6	0	0	0	111.1	R402 D415 D416 Y421 K422 R423	R402-D419 IonicContact NH1-OD2 3.32Å; R402-D419 PolarHBondContact NH1-OD2 3.2Å; D415-D419 WeakPolarHBondContact O-CB 3.4Å; D415-D419 PolarHBondContact O-N 3.24Å; D416-D419 PolarHBondContact O-N 3.4Å; D419-Y421 PolarHBondContact O-N 3.2Å; D419-K422 PolarHBondContact O-N 3.03Å; D419-R423 VanDerWaalsContact O-CG 3.29Å; D419-R423 WeakPolarHBondContact O-CG 3.45Å; D419-R423 PolarHBondContact O-N 3.4Å; D419-R423 IonicContact OD1-NE 2.73Å; D419-R423 IonicContact OD2-CZ 2.63Å; D419-R423 IonicContact OD2-NE 3.33Å; D419-R423 PolarHBondContact OD2-NE 2.96Å; D419-R423 IonicContact OD2-NH2 2.86Å; D419-R423 PolarHBondContact OD2-NH2 3.29Å; D419-R423 VanDerWaalsContact OD2-NH2 3.16Å
420	I	98.1	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-48.5	176.6	-66.3	159.2	0	0	0	110.6	T15 L19 F399 D416 I417 K422 R423 M424	T15-I420 HydrophobicContact CG2-CD1 3.72Å; L19-I420 HydrophobicContact CD1-CB 3.88Å; L19-I420 HydrophobicContact CD1-CD1 3.74Å; L19-I420 HydrophobicContact CD1-CG1 4.42Å; L19-I420 HydrophobicContact CD1-CG2 3.44Å; L19-I420 VanDerWaalsContact CD1-CG2 3.44Å; L19-I420 HydrophobicContact CD2-CB 4.35Å; L19-I420 HydrophobicContact CD2-CG2 4.06Å; L19-I420 HydrophobicContact CG-CG2 4.41Å; F399-I420 HydrophobicContact CB-CG2 3.97Å; D416-I420 WeakPolarHBondContact O-CD1 3.25Å; D416-I420 VanDerWaalsContact O-CG1 3.26Å; D416-I420 WeakPolarHBondContact O-CG1 2.83Å; D416-I420 PolarHBondContact O-N 3.47Å; I417-I420 PolarHBondContact O-N 3.12Å; I420-K422 VanDerWaalsContact C-N 3.3Å; I420-K422 PolarHBondContact O-N 3.23Å; I420-R423 PolarHBondContact O-N 2.85Å; I420-M424 HydrophobicContact CG2-CG 4.15Å; I420-M424 HydrophobicContact CG2-SD 3.86Å; I420-M424 WeakPolarHBondContact O-CB 3.48Å; I420-M424 VanDerWaalsContact O-CG 3.27Å; I420-M424 WeakPolarHBondContact O-CG 3.45Å; I420-M424 PolarHBondContact O-N 3.4Å
421	Y	96.8	Very high	93.9	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-43.4	178.4	176.8	-87.6	0	0	0	112	I22 M23 K26 I417 K418 D419 M424 T425 F429 M434	I22-Y421 HydrophobicContact CG2-CD2 3.99Å; I22-Y421 HydrophobicContact CG2-CE2 3.76Å; M23-Y421 HydrophobicContact CE-CD2 3.81Å; M23-Y421 HydrophobicContact CE-CE2 4.23Å; K26-Y421 HydrophobicContact CD-CE2 4.12Å; K26-Y421 PolarHBondContact NZ-OH 3.02Å; I417-Y421 VanDerWaalsContact O-CB 3.32Å; I417-Y421 WeakPolarHBondContact O-CB 3.44Å; I417-Y421 PolarHBondContact O-N 2.82Å; K418-Y421 PolarHBondContact O-N 2.8Å; D419-Y421 PolarHBondContact O-N 3.2Å; Y421-M424 PolarHBondContact O-N 2.87Å; Y421-T425 HydrophobicContact CD2-CG2 4.2Å; Y421-T425 HydrophobicContact CE1-CG2 4.31Å; Y421-T425 HydrophobicContact CE2-CG2 3.96Å; Y421-T425 HydrophobicContact CG-CG2 4.49Å; Y421-T425 WeakPolarHBondContact O-CB 3.32Å; Y421-T425 WeakPolarHBondContact O-CG2 3.32Å; Y421-T425 PolarHBondContact O-N 3.24Å; Y421-T425 PolarHBondContact O-OG1 3.49Å; Y421-F429 HydrophobicContact CD1-CB 3.91Å; Y421-F429 AromaticContact CD1-CD2 3.77Å; Y421-F429 HydrophobicContact CD1-CD2 3.77Å; Y421-F429 HydrophobicContact CD1-CG 4.31Å; Y421-F429 HydrophobicContact CD2-CD2 4.02Å; Y421-F429 HydrophobicContact CD2-CE2 4.4Å; Y421-F429 HydrophobicContact CE1-CB 4.25Å; Y421-F429 HydrophobicContact CE1-CD2 4.1Å; Y421-F429 HydrophobicContact CE2-CD2 4.32Å; Y421-F429 AromaticContact CG-CD2 3.72Å; Y421-F429 HydrophobicContact CG-CD2 3.72Å; Y421-M434 HydrophobicContact CE1-CE 4.39Å; Y421-M434 HydrophobicContact CE2-CE 3.86Å
422	K	97.2	Very high	93.3	Very high	93 Å²	93	39 Å²	39	40%	0.404	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-45.3	176.6	179.6	-179.6	176.6	172.9	0	111.6	K418 D419 I420 M424 T425 G426 T427 E428	K418-K422 WeakPolarHBondContact O-CB 3.32Å; K418-K422 PolarHBondContact O-N 3.12Å; D419-K422 PolarHBondContact O-N 3.03Å; I420-K422 VanDerWaalsContact C-N 3.3Å; I420-K422 PolarHBondContact O-N 3.23Å; K422-M424 VanDerWaalsContact C-N 3.3Å; K422-M424 PolarHBondContact O-N 2.64Å; K422-T425 PolarHBondContact O-N 3.04Å; K422-G426 VanDerWaalsContact O-CA 3.3Å; K422-G426 WeakPolarHBondContact O-CA 3.37Å; K422-G426 PolarHBondContact O-N 2.9Å; K422-T427 WeakPolarHBondContact CA-O 3.35Å; K422-E428 WeakPolarHBondContact CD-OE1 3.47Å; K422-E428 WeakPolarHBondContact CE-OE1 3.23Å; K422-E428 IonicContact NZ-OE1 3.31Å; K422-E428 PolarHBondContact NZ-OE1 3.29Å
423	R	97.5	Very high	92.5	Very high	43 Å²	43	40.7 Å²	40.7	16%	0.162	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-39.8	176.8	-69.5	-175.5	-68.9	132.8	-14	112	M392 F399 M400 D419 I420	M392-R423 VanDerWaalsContact CE-CD 3.43Å; M392-R423 WeakPolarHBondContact O-CD 3.49Å; M392-R423 PolarHBondContact O-NH1 3.43Å; F399-R423 HydrophobicContact CD1-CB 3.78Å; F399-R423 VanDerWaalsContact CE1-C 3.41Å; F399-R423 HydrophobicContact CE1-CB 3.82Å; F399-R423 WeakPolarHBondContact CE1-O 3.45Å; M400-R423 PolarHBondContact O-NH2 2.63Å; M400-R423 VanDerWaalsContact O-NH2 3.15Å; D419-R423 VanDerWaalsContact O-CG 3.29Å; D419-R423 WeakPolarHBondContact O-CG 3.45Å; D419-R423 PolarHBondContact O-N 3.4Å; D419-R423 IonicContact OD1-NE 2.73Å; D419-R423 IonicContact OD2-CZ 2.63Å; D419-R423 IonicContact OD2-NE 3.33Å; D419-R423 PolarHBondContact OD2-NE 2.96Å; D419-R423 IonicContact OD2-NH2 2.86Å; D419-R423 PolarHBondContact OD2-NH2 3.29Å; D419-R423 VanDerWaalsContact OD2-NH2 3.16Å; I420-R423 PolarHBondContact O-N 2.85Å
424	M	96.9	Very high	91.3	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.059	23%	0.23	C	C	.	.	H	α-helix	trans	-70.7	-41	179.5	-74.7	-174	77.6	0	0	113.9	V7 M23 Q279 I281 F399 I420 Y421 K422	V7-M424 HydrophobicContact CG1-CE 4.1Å; V7-M424 HydrophobicContact CG2-CE 4.3Å; M23-M424 HydrophobicContact CE-CB 4.38Å; M23-M424 HydrophobicContact CE-CE 3.97Å; M23-M424 HydrophobicContact CE-SD 3.81Å; Q279-M424 HydrophobicContact CB-CE 4.28Å; Q279-M424 PolarHBondContact NE2-O 2.9Å; I281-M424 HydrophobicContact CD1-CE 3.63Å; I281-M424 HydrophobicContact CD1-SD 3.43Å; I281-M424 WeakPolarHBondContact CD1-SD 3.32Å; I281-M424 HydrophobicContact CG1-CE 3.68Å; I281-M424 HydrophobicContact CG1-SD 3.65Å; F399-M424 HydrophobicContact CB-CG 3.94Å; F399-M424 HydrophobicContact CB-SD 4.38Å; F399-M424 HydrophobicContact CD1-CG 3.65Å; F399-M424 HydrophobicContact CD2-CE 4.27Å; F399-M424 HydrophobicContact CD2-CG 3.43Å; F399-M424 VanDerWaalsContact CD2-CG 3.43Å; F399-M424 HydrophobicContact CD2-SD 4.28Å; F399-M424 HydrophobicContact CE1-CB 4.47Å; F399-M424 HydrophobicContact CE1-CG 3.98Å; F399-M424 HydrophobicContact CE2-CB 4.44Å; F399-M424 HydrophobicContact CE2-CG 3.76Å; F399-M424 HydrophobicContact CG-CG 3.36Å; F399-M424 HydrophobicContact CG-SD 4.32Å; F399-M424 HydrophobicContact CZ-CB 4.4Å; F399-M424 HydrophobicContact CZ-CG 4.02Å; I420-M424 HydrophobicContact CG2-CG 4.15Å; I420-M424 HydrophobicContact CG2-SD 3.86Å; I420-M424 WeakPolarHBondContact O-CB 3.48Å; I420-M424 VanDerWaalsContact O-CG 3.27Å; I420-M424 WeakPolarHBondContact O-CG 3.45Å; I420-M424 PolarHBondContact O-N 3.4Å; Y421-M424 PolarHBondContact O-N 2.87Å; K422-M424 VanDerWaalsContact C-N 3.3Å; K422-M424 PolarHBondContact O-N 2.64Å
425	T	94.9	Very high	90.2	Very high	49 Å²	49	45.4 Å²	45.4	30%	0.301	25%	0.247	S	C	.	.	H	α-helix	trans	-104.6	-17.5	-167.9	64.4	0	0	0	0	113.7	M23 Y421 K422 T427	M23-T425 HydrophobicContact CE-CG2 4.12Å; Y421-T425 HydrophobicContact CD2-CG2 4.2Å; Y421-T425 HydrophobicContact CE1-CG2 4.31Å; Y421-T425 HydrophobicContact CE2-CG2 3.96Å; Y421-T425 HydrophobicContact CG-CG2 4.49Å; Y421-T425 WeakPolarHBondContact O-CB 3.32Å; Y421-T425 WeakPolarHBondContact O-CG2 3.32Å; Y421-T425 PolarHBondContact O-N 3.24Å; Y421-T425 PolarHBondContact O-OG1 3.49Å; K422-T425 PolarHBondContact O-N 3.04Å; T425-T427 PolarHBondContact O-N 3.36Å; T425-T427 PolarHBondContact OG1-N 3.09Å; T425-T427 PolarHBondContact OG1-O 3.46Å; T425-T427 PolarHBondContact OG1-OG1 2.92Å
426	G	94.9	Very high	88.6	Confident	68 Å²	68	51.4 Å²	51.4	70%	0.701	27%	0.265	S	S	*	.	S	Bend	trans	74.1	6.5	-171.6	0	0	0	0	0	114.3	K422	K422-G426 VanDerWaalsContact O-CA 3.3Å; K422-G426 WeakPolarHBondContact O-CA 3.37Å; K422-G426 PolarHBondContact O-N 2.9Å
427	T	93.4	Very high	86.7	Confident	71 Å²	71	55.8 Å²	55.8	44%	0.436	28%	0.284	S	S	.	.	S	Bend	trans	-128.2	147.3	-175.4	55.4	0	0	0	0	111.9	K422 T425	K422-T427 WeakPolarHBondContact CA-O 3.35Å; T425-T427 PolarHBondContact O-N 3.36Å; T425-T427 PolarHBondContact OG1-N 3.09Å; T425-T427 PolarHBondContact OG1-O 3.46Å; T425-T427 PolarHBondContact OG1-OG1 2.92Å
428	E	92.7	Very high	84.8	Confident	116 Å²	116	60.6 Å²	60.6	54%	0.542	31%	0.305	S	S	.	.			trans	-59.5	150	172.8	-66.8	-61.4	158.4	0	0	111.5	K422 D430	K422-E428 WeakPolarHBondContact CD-OE1 3.47Å; K422-E428 WeakPolarHBondContact CE-OE1 3.23Å; K422-E428 IonicContact NZ-OE1 3.31Å; K422-E428 PolarHBondContact NZ-OE1 3.29Å; E428-D430 PolarHBondContact O-N 2.95Å; E428-D430 VanDerWaalsContact O-N 3.1Å
429	F	88.5	Confident	82.6	Confident	15 Å²	15	62.8 Å²	62.8	7%	0.066	32%	0.319	C	S	.	.			trans	-73.4	102.6	172.4	-169.9	-79.7	0	0	0	109.6	I22 M90 K418 Y421 F431 M434	I22-F429 HydrophobicContact CD1-CE2 3.72Å; I22-F429 HydrophobicContact CD1-CZ 4.28Å; I22-F429 HydrophobicContact CG1-CE2 4.42Å; M90-F429 HydrophobicContact CE-CD1 4.48Å; M90-F429 HydrophobicContact CE-CE1 4.2Å; M90-F429 HydrophobicContact CE-CE2 4.48Å; M90-F429 HydrophobicContact CE-CZ 4.19Å; M90-F429 HydrophobicContact CG-CE1 4.3Å; M90-F429 HydrophobicContact CG-CZ 4.05Å; K418-F429 HydrophobicContact CB-CB 4.34Å; K418-F429 HydrophobicContact CG-CB 3.89Å; K418-F429 HydrophobicContact CG-CD1 4.48Å; K418-F429 HydrophobicContact CG-CG 4.1Å; Y421-F429 HydrophobicContact CD1-CB 3.91Å; Y421-F429 AromaticContact CD1-CD2 3.77Å; Y421-F429 HydrophobicContact CD1-CD2 3.77Å; Y421-F429 HydrophobicContact CD1-CG 4.31Å; Y421-F429 HydrophobicContact CD2-CD2 4.02Å; Y421-F429 HydrophobicContact CD2-CE2 4.4Å; Y421-F429 HydrophobicContact CE1-CB 4.25Å; Y421-F429 HydrophobicContact CE1-CD2 4.1Å; Y421-F429 HydrophobicContact CE2-CD2 4.32Å; Y421-F429 AromaticContact CG-CD2 3.72Å; Y421-F429 HydrophobicContact CG-CD2 3.72Å; F429-F431 HydrophobicContact CD1-CD1 4.44Å; F429-F431 AromaticContact CD1-CD2 3.84Å; F429-F431 HydrophobicContact CD1-CD2 3.84Å; F429-F431 HydrophobicContact CD1-CE1 4.29Å; F429-F431 AromaticContact CD1-CE2 3.67Å; F429-F431 HydrophobicContact CD1-CE2 3.67Å; F429-F431 HydrophobicContact CD1-CG 4.22Å; F429-F431 AromaticContact CD1-CZ 3.9Å; F429-F431 HydrophobicContact CD1-CZ 3.9Å; F429-F431 AromaticContact CE1-CD1 3.76Å; F429-F431 HydrophobicContact CE1-CD1 3.76Å; F429-F431 AromaticContact CE1-CD2 3.99Å; F429-F431 HydrophobicContact CE1-CD2 3.99Å; F429-F431 AromaticContact CE1-CE1 3.6Å; F429-F431 HydrophobicContact CE1-CE1 3.6Å; F429-F431 AromaticContact CE1-CE2 3.86Å; F429-F431 HydrophobicContact CE1-CE2 3.86Å; F429-F431 AromaticContact CE1-CG 3.94Å; F429-F431 HydrophobicContact CE1-CG 3.94Å; F429-F431 AromaticContact CE1-CZ 3.65Å; F429-F431 HydrophobicContact CE1-CZ 3.65Å; F429-M434 HydrophobicContact CD1-CE 4.27Å; F429-M434 HydrophobicContact CD2-CE 3.51Å; F429-M434 HydrophobicContact CE1-CE 3.95Å; F429-M434 HydrophobicContact CE1-SD 4Å; F429-M434 HydrophobicContact CE2-CE 3.13Å; F429-M434 HydrophobicContact CE2-SD 3.74Å; F429-M434 HydrophobicContact CG-CE 4.07Å; F429-M434 HydrophobicContact CZ-CE 3.39Å; F429-M434 HydrophobicContact CZ-SD 3.38Å; F429-M434 WeakPolarHBondContact CZ-SD 3.4Å
430	D	85.6	Confident	80.2	Confident	74 Å²	74	67.1 Å²	67.1	40%	0.396	34%	0.343	S	S	.	.			trans	-96.5	106.6	177.6	-173.5	-6.4	0	0	0	111.4	E428 A432 E433 M434	E428-D430 PolarHBondContact O-N 2.95Å; E428-D430 VanDerWaalsContact O-N 3.1Å; D430-A432 VanDerWaalsContact C-N 3.28Å; D430-A432 PolarHBondContact O-N 2.8Å; D430-A432 WeakPolarHBondContact OD1-CA 3.29Å; D430-A432 WeakPolarHBondContact OD1-CB 3.26Å; D430-A432 PolarHBondContact OD1-N 3.08Å; D430-E433 HydrophobicContact CB-CB 3.9Å; D430-E433 PolarHBondContact O-N 3.45Å; D430-E433 PolarHBondContact OD1-N 3.24Å; D430-M434 WeakPolarHBondContact O-CG 3.26Å; D430-M434 PolarHBondContact O-N 3.49Å
431	F	81.8	Confident	78	Confident	25 Å²	25	71.4 Å²	71.4	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-38.1	174.4	-73.1	-89.2	0	0	0	112.4	Q86 R89 M90 I93 F429 M434 E435	Q86-F431 HydrophobicContact CB-CZ 4.06Å; R89-F431 HydrophobicContact CB-CD1 3.73Å; R89-F431 HydrophobicContact CB-CE1 3.62Å; M90-F431 HydrophobicContact CE-CE1 4.45Å; M90-F431 HydrophobicContact CE-CZ 3.89Å; M90-F431 HydrophobicContact CG-CE1 3.67Å; M90-F431 HydrophobicContact CG-CZ 4.06Å; I93-F431 HydrophobicContact CD1-CB 4.23Å; I93-F431 HydrophobicContact CD1-CD1 3.55Å; I93-F431 HydrophobicContact CD1-CE1 4.39Å; I93-F431 HydrophobicContact CD1-CG 4.34Å; F429-F431 HydrophobicContact CD1-CD1 4.44Å; F429-F431 AromaticContact CD1-CD2 3.84Å; F429-F431 HydrophobicContact CD1-CD2 3.84Å; F429-F431 HydrophobicContact CD1-CE1 4.29Å; F429-F431 AromaticContact CD1-CE2 3.67Å; F429-F431 HydrophobicContact CD1-CE2 3.67Å; F429-F431 HydrophobicContact CD1-CG 4.22Å; F429-F431 AromaticContact CD1-CZ 3.9Å; F429-F431 HydrophobicContact CD1-CZ 3.9Å; F429-F431 AromaticContact CE1-CD1 3.76Å; F429-F431 HydrophobicContact CE1-CD1 3.76Å; F429-F431 AromaticContact CE1-CD2 3.99Å; F429-F431 HydrophobicContact CE1-CD2 3.99Å; F429-F431 AromaticContact CE1-CE1 3.6Å; F429-F431 HydrophobicContact CE1-CE1 3.6Å; F429-F431 AromaticContact CE1-CE2 3.86Å; F429-F431 HydrophobicContact CE1-CE2 3.86Å; F429-F431 AromaticContact CE1-CG 3.94Å; F429-F431 HydrophobicContact CE1-CG 3.94Å; F429-F431 AromaticContact CE1-CZ 3.65Å; F429-F431 HydrophobicContact CE1-CZ 3.65Å; F431-M434 PolarHBondContact O-N 3.29Å; F431-E435 WeakPolarHBondContact O-CB 3.32Å; F431-E435 VanDerWaalsContact O-CG 3.31Å; F431-E435 WeakPolarHBondContact O-CG 3.25Å; F431-E435 PolarHBondContact O-N 3.21Å
432	A	77.1	Confident	75.7	Confident	40 Å²	40	76 Å²	76	33%	0.331	39%	0.385	S	S	.	.	H	α-helix	trans	-71.7	-38.3	-177.1	0	0	0	0	0	111.9	D430 M434 E435 R436	D430-A432 VanDerWaalsContact C-N 3.28Å; D430-A432 PolarHBondContact O-N 2.8Å; D430-A432 WeakPolarHBondContact OD1-CA 3.29Å; D430-A432 WeakPolarHBondContact OD1-CB 3.26Å; D430-A432 PolarHBondContact OD1-N 3.08Å; A432-M434 VanDerWaalsContact C-N 3.32Å; A432-M434 PolarHBondContact O-N 2.7Å; A432-E435 PolarHBondContact O-N 2.95Å; A432-R436 WeakPolarHBondContact O-CG 3.2Å; A432-R436 PolarHBondContact O-N 3.32Å
433	E	75.4	Confident	73.1	Confident	69 Å²	69	74.4 Å²	74.4	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-44.5	174.2	-167.8	-161.5	149.2	0	0	111	D430 R436 K437	D430-E433 HydrophobicContact CB-CB 3.9Å; D430-E433 PolarHBondContact O-N 3.45Å; D430-E433 PolarHBondContact OD1-N 3.24Å; E433-R436 PolarHBondContact O-N 2.98Å; E433-K437 PolarHBondContact O-N 3.2Å; E433-K437 VanDerWaalsContact O-N 3.1Å; E433-K437 WeakPolarHBondContact OE1-CE 3.45Å; E433-K437 IonicContact OE1-NZ 3.16Å; E433-K437 PolarHBondContact OE1-NZ 2.81Å
434	M	71.4	Confident	70.5	Confident	27 Å²	27	79.3 Å²	79.3	13%	0.133	42%	0.424	C	S	.	.	H	α-helix	trans	-68.3	-37.3	179.5	-60.6	-166.6	-168	0	0	112.3	I22 I93 Y421 F429 D430 F431 A432 R436 K438	I22-M434 HydrophobicContact CG2-CE 4.19Å; I22-M434 HydrophobicContact CG2-SD 4.48Å; I93-M434 HydrophobicContact CD1-CB 4.23Å; I93-M434 HydrophobicContact CG2-CB 3.5Å; I93-M434 HydrophobicContact CG2-CG 4.44Å; I93-M434 HydrophobicContact CG2-SD 4.21Å; Y421-M434 HydrophobicContact CE1-CE 4.39Å; Y421-M434 HydrophobicContact CE2-CE 3.86Å; F429-M434 HydrophobicContact CD1-CE 4.27Å; F429-M434 HydrophobicContact CD2-CE 3.51Å; F429-M434 HydrophobicContact CE1-CE 3.95Å; F429-M434 HydrophobicContact CE1-SD 4Å; F429-M434 HydrophobicContact CE2-CE 3.13Å; F429-M434 HydrophobicContact CE2-SD 3.74Å; F429-M434 HydrophobicContact CG-CE 4.07Å; F429-M434 HydrophobicContact CZ-CE 3.39Å; F429-M434 HydrophobicContact CZ-SD 3.38Å; F429-M434 WeakPolarHBondContact CZ-SD 3.4Å; D430-M434 WeakPolarHBondContact O-CG 3.26Å; D430-M434 PolarHBondContact O-N 3.49Å; F431-M434 PolarHBondContact O-N 3.29Å; A432-M434 VanDerWaalsContact C-N 3.32Å; A432-M434 PolarHBondContact O-N 2.7Å; M434-R436 VanDerWaalsContact C-N 3.32Å; M434-R436 PolarHBondContact O-N 2.97Å; M434-K438 PolarHBondContact O-N 3.15Å
435	E	70.8	Confident	67.8	Low	80 Å²	80	83.7 Å²	83.7	37%	0.374	46%	0.462	S	S	.	.	H	α-helix	trans	-64.9	-32.4	172.7	-74.8	174.2	-168	0	0	112.4	R89 I93 F431 A432 K438	R89-E435 IonicContact CZ-OE1 3.7Å; R89-E435 IonicContact NE-OE1 3.16Å; R89-E435 IonicContact NH2-OE1 3.4Å; R89-E435 PolarHBondContact NH2-OE1 3.37Å; R89-E435 VanDerWaalsContact NH2-OE1 3.1Å; I93-E435 HydrophobicContact CD1-CG 4.02Å; I93-E435 HydrophobicContact CG1-CG 3.76Å; F431-E435 WeakPolarHBondContact O-CB 3.32Å; F431-E435 VanDerWaalsContact O-CG 3.31Å; F431-E435 WeakPolarHBondContact O-CG 3.25Å; F431-E435 PolarHBondContact O-N 3.21Å; A432-E435 PolarHBondContact O-N 2.95Å; E435-K438 WeakPolarHBondContact O-CB 3.22Å
436	R	59.6	Low	65.2	Low	189 Å²	189	85.4 Å²	85.4	71%	0.713	48%	0.482	S	S	*	.	H	α-helix	trans	-73.7	-45.4	177.5	-74.7	175.6	-171.8	179.1	4.4	112.9	A432 E433 M434 K438 N439	A432-R436 WeakPolarHBondContact O-CG 3.2Å; A432-R436 PolarHBondContact O-N 3.32Å; E433-R436 PolarHBondContact O-N 2.98Å; M434-R436 VanDerWaalsContact C-N 3.32Å; M434-R436 PolarHBondContact O-N 2.97Å; R436-K438 PolarHBondContact O-N 2.79Å; R436-K438 VanDerWaalsContact O-N 3.12Å; R436-N439 PolarHBondContact O-N 2.46Å
437	K	57.7	Low	62.7	Low	98 Å²	98	89.4 Å²	89.4	43%	0.426	49%	0.487	S	S	.	.	H	α-helix	trans	-61.2	-20.7	177.1	-78.7	177.6	173	164	0	113.1	E433 N439 D440 I441	E433-K437 PolarHBondContact O-N 3.2Å; E433-K437 VanDerWaalsContact O-N 3.1Å; E433-K437 WeakPolarHBondContact OE1-CE 3.45Å; E433-K437 IonicContact OE1-NZ 3.16Å; E433-K437 PolarHBondContact OE1-NZ 2.81Å; K437-N439 VanDerWaalsContact C-N 3.31Å; K437-N439 PolarHBondContact O-N 2.71Å; K437-D440 PolarHBondContact O-N 2.88Å; K437-I441 WeakPolarHBondContact O-CG1 3.45Å; K437-I441 PolarHBondContact O-N 2.88Å
438	K	56.8	Low	59.8	Low	101 Å²	101	99 Å²	99	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-54.9	-43.3	170.4	-175.7	-172.3	166	-173.1	0	112.8	M434 E435 R436 D440	M434-K438 PolarHBondContact O-N 3.15Å; E435-K438 WeakPolarHBondContact O-CB 3.22Å; R436-K438 PolarHBondContact O-N 2.79Å; R436-K438 VanDerWaalsContact O-N 3.12Å; K438-D440 VanDerWaalsContact C-N 3.3Å; K438-D440 PolarHBondContact O-N 3.14Å
439	N	50.1	Low	58.1	Low	101 Å²	101	98.2 Å²	98.2	54%	0.54	53%	0.526	S	S	.	.	H	α-helix	trans	-74.4	-23.9	-175.1	-67.4	-3.2	0	0	0	112	R436 K437	R436-N439 PolarHBondContact O-N 2.46Å; K437-N439 VanDerWaalsContact C-N 3.31Å; K437-N439 PolarHBondContact O-N 2.71Å
440	D	47.3	Very low	56.5	Low	138 Å²	138	102.5 Å²	102.5	74%	0.738	55%	0.55	S	S	*	*	H	α-helix	trans	-87.8	-26.5	-176.6	-67.9	-23.9	0	0	0	113.4	K437 K438	K437-D440 PolarHBondContact O-N 2.88Å; K438-D440 VanDerWaalsContact C-N 3.3Å; K438-D440 PolarHBondContact O-N 3.14Å
441	I	51.2	Low	54.9	Low	90 Å²	90	104.1 Å²	104.1	46%	0.462	56%	0.559	S	S	.	*	H	α-helix	trans	-87.1	-30.4	-175.3	-63.6	169.6	0	0	0	112.1	K437	K437-I441 WeakPolarHBondContact O-CG1 3.45Å; K437-I441 PolarHBondContact O-N 2.88Å
442	F	50.2	Low	53.3	Low	97 Å²	97	108.8 Å²	108.8	43%	0.425	59%	0.585	S	S	.	*	S	Bend	trans	-122	80.1	178.9	-61.1	-84.6	0	0	0	107.8	Y245 D444	Y245-F442 VanDerWaalsContact OH-CE2 3.27Å; Y245-F442 WeakPolarHBondContact OH-CE2 2.91Å; Y245-F442 VanDerWaalsContact OH-CZ 3.27Å; Y245-F442 WeakPolarHBondContact OH-CZ 3.32Å; F442-D444 PolarHBondContact O-N 3.02Å
443	G	41.4	Very low	51.8	Low	60 Å²	60	113.1 Å²	113.1	62%	0.619	60%	0.601	S	S	*	*			trans	-45.5	137.8	178.6	0	0	0	0	0	111.6	A445	G443-A445 PolarHBondContact O-N 3.1Å
444	D	42.4	Very low	50.3	Low	145 Å²	145	116 Å²	116	78%	0.775	62%	0.62	S	S	*	*			trans	-45.9	102.3	-179.9	-72	-43.3	0	0	0	111.4	F442	F442-D444 PolarHBondContact O-N 3.02Å
445	A	41	Very low	48.8	Very low	104 Å²	104	122.4 Å²	122.4	86%	0.86	66%	0.655	S	S	*	*			trans	-112.5	53.9	162	0	0	0	0	0	108.2	G443	G443-A445 PolarHBondContact O-N 3.1Å
446	A	40	Very low	47.1	Very low	86 Å²	86	125.6 Å²	125.6	71%	0.711	68%	0.676	S	S	*	*			trans	-158.2	60	167.4	0	0	0	0	0	110.2
447	D	42.3	Very low	46	Very low	151 Å²	151	120.3 Å²	120.3	81%	0.807	67%	0.673	S	S	*	*			trans	-139.6	87.3	152.3	-95.4	-23.7	0	0	0	107.9
448	Q	32	Very low	45	Very low	273 Å²	273	122.4 Å²	122.4	100%	1.276	70%	0.696	S	S	*	*			trans	-163.5	0	147.7	-109.1	173.6	50.5	0	0	110.7

Retrieved 448 of 448 residues in 167.9 ms (Link to these results)

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