A0A087X8R8_POEFO Loading...

UDP-glucose 4-epimerase

Catalyzes two distinct but analogous reactions: the reversible epimerization of UDP-glucose to UDP-galactose and the reversible epimerization of UDP-N-acetylglucosamine to UDP-N-acetylgalactosamine. The reaction with UDP-Gal plays a critical role in the Leloir pathway of galactose catabolism in which galactose is converted to the glycolytic intermediate glucose 6-phosphate. It contributes to the catabolism of dietary galactose and enables the endogenous biosynthesis of both UDP-Gal and UDP-GalNAc when exogenous sources are limited. Both UDP-sugar interconversions are important in the synthesis of glycoproteins and glycolipids.

AlphaFold DB , UniProt , Accession A0A087X8R8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 aa.

Structure Viewer

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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	64.9	Low	94	Very high	244 Å²	244	40.3 Å²	40.3	100%	1.202	22%	0.216	S	C	*	.				0	145.9	0	-79	-174.9	-85.8	0	0	107.7
2	A	85.5	Confident	94.3	Very high	53 Å²	53	38.4 Å²	38.4	44%	0.438	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-62.6	141	176.3	0	0	0	0	0	110.4	Q28	A2-Q28 HydrophobicContact CB-CB 4.16Å
3	E	95.6	Very high	94.6	Very high	75 Å²	75	37.2 Å²	37.2	35%	0.35	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-69.1	127.9	177.7	-79.4	174.6	-136.7	0	0	110.2	Y27 Q28 K261	E3-Y27 HydrophobicContact CB-CD1 3.79Å; E3-Y27 HydrophobicContact CB-CE1 4.03Å; E3-Q28 PolarHBondContact O-N 2.89Å; E3-K261 VanDerWaalsContact CD-NZ 3.32Å; E3-K261 IonicContact OE1-NZ 2.68Å; E3-K261 PolarHBondContact OE1-NZ 3.19Å; E3-K261 VanDerWaalsContact OE2-CE 3.28Å; E3-K261 WeakPolarHBondContact OE2-CE 3.38Å; E3-K261 IonicContact OE2-NZ 3.18Å; E3-K261 PolarHBondContact OE2-NZ 3.34Å
4	K	98.3	Very high	94.9	Very high	56 Å²	56	36.8 Å²	36.8	24%	0.243	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126	179.3	-68.6	-171.1	179.3	-168.9	0	111.2	Q28 F84 S85	K4-Q28 VanDerWaalsContact CA-O 3.29Å; K4-Q28 WeakPolarHBondContact CA-O 3.24Å; K4-Q28 VanDerWaalsContact CE-OE1 3.24Å; K4-Q28 HydrophobicContact CG-CB 4.21Å; K4-Q28 HydrophobicContact CG-CG 4.39Å; K4-F84 HydrophobicContact CB-CD1 4.02Å; K4-F84 HydrophobicContact CB-CE1 4.49Å; K4-F84 WeakPolarHBondContact O-CA 3.44Å; K4-S85 PolarHBondContact O-N 3.18Å; K4-S85 PolarHBondContact O-OG 2.81Å
5	V	98.8	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.1	178.2	-179.3	0	0	0	0	109	V7 L22 Y27 Q28 P29 V30 A86 M88 L257	V5-V7 HydrophobicContact CG1-CG2 4.35Å; V5-L22 HydrophobicContact CB-CD1 4.41Å; V5-L22 HydrophobicContact CB-CD2 4.24Å; V5-L22 HydrophobicContact CG1-CD1 4.22Å; V5-L22 HydrophobicContact CG1-CD2 4.33Å; V5-L22 HydrophobicContact CG2-CD2 4.08Å; V5-Y27 HydrophobicContact CG2-CD1 3.74Å; V5-Y27 HydrophobicContact CG2-CE1 4.43Å; V5-Y27 HydrophobicContact CG2-CG 4.33Å; V5-Q28 PolarHBondContact N-O 3.48Å; V5-P29 CarbonylContact O-C 3.4Å; V5-P29 WeakPolarHBondContact O-CA 3.48Å; V5-V30 PolarHBondContact O-N 3.18Å; V5-A86 WeakPolarHBondContact CA-O 3.47Å; V5-M88 HydrophobicContact CG1-CG 3.96Å; V5-L257 HydrophobicContact CG2-CD1 4.06Å
6	L	98.9	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.5	170.7	175.3	63.7	0	0	0	108.9	T8 V30 V32 L78 F79 F84 A86 V87 M88 L117	L6-T8 HydrophobicContact CD2-CG2 4.11Å; L6-T8 HydrophobicContact CG-CG2 4.04Å; L6-V30 WeakPolarHBondContact CA-O 3.37Å; L6-V32 HydrophobicContact CD1-CG1 3.72Å; L6-V32 HydrophobicContact CD1-CG2 4.12Å; L6-L78 HydrophobicContact CD1-CD2 3.83Å; L6-F79 HydrophobicContact CD2-CE2 3.42Å; L6-F79 VanDerWaalsContact CD2-CE2 3.42Å; L6-F79 HydrophobicContact CD2-CZ 3.53Å; L6-F84 HydrophobicContact CB-CD1 3.92Å; L6-F84 HydrophobicContact CB-CD2 4.26Å; L6-F84 HydrophobicContact CB-CE1 3.92Å; L6-F84 HydrophobicContact CB-CE2 4.23Å; L6-F84 HydrophobicContact CB-CG 4.1Å; L6-F84 HydrophobicContact CB-CZ 4.06Å; L6-F84 HydrophobicContact CD1-CZ 4.15Å; L6-F84 HydrophobicContact CD2-CE2 4.4Å; L6-A86 PolarHBondContact N-O 2.91Å; L6-V87 HydrophobicContact CB-CB 4.45Å; L6-V87 HydrophobicContact CB-CG1 4.22Å; L6-V87 HydrophobicContact CB-CG2 4.06Å; L6-V87 HydrophobicContact CD2-CG1 4.05Å; L6-V87 HydrophobicContact CD2-CG2 4.12Å; L6-V87 HydrophobicContact CG-CG1 4.18Å; L6-V87 CarbonylContact O-C 3.55Å; L6-V87 WeakPolarHBondContact O-CA 3.25Å; L6-M88 PolarHBondContact O-N 3.33Å; L6-L117 HydrophobicContact CD2-CD1 4.18Å
7	V	98.9	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	101.1	177.3	-172.5	0	0	0	0	108.8	V5 V19 L22 P29 V30 V31 V32 F90	V5-V7 HydrophobicContact CG1-CG2 4.35Å; V7-V19 HydrophobicContact CB-CG2 4.4Å; V7-V19 HydrophobicContact CG1-CG2 4.11Å; V7-V19 HydrophobicContact CG2-CG2 4.36Å; V7-L22 HydrophobicContact CG2-CD1 3.48Å; V7-L22 VanDerWaalsContact CG2-CD1 3.48Å; V7-P29 HydrophobicContact CG2-CB 4.11Å; V7-V30 PolarHBondContact N-O 2.84Å; V7-V31 HydrophobicContact CB-CG2 4.47Å; V7-V32 PolarHBondContact O-N 2.68Å; V7-F90 HydrophobicContact CG1-CD2 3.85Å; V7-F90 HydrophobicContact CG1-CE2 3.79Å
8	T	98.9	Very high	95.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138	178	89.5	0	0	0	0	110.7	L6 G10 V32 L69 V87 M88 H89 F90 A91 L117	L6-T8 HydrophobicContact CD2-CG2 4.11Å; L6-T8 HydrophobicContact CG-CG2 4.04Å; T8-G10 PolarHBondContact O-N 3.49Å; T8-V32 CarbonylContact C-O 3.57Å; T8-V32 HydrophobicContact CG2-CG2 3.8Å; T8-L69 HydrophobicContact CG2-CD1 4.19Å; T8-L69 HydrophobicContact CG2-CD2 4.21Å; T8-V87 HydrophobicContact CG2-CG1 4.18Å; T8-M88 PolarHBondContact N-O 3.26Å; T8-H89 PolarHBondContact OG1-ND1 3.04Å; T8-F90 CarbonylContact O-C 3.45Å; T8-F90 WeakPolarHBondContact O-CA 3.49Å; T8-F90 WeakPolarHBondContact O-CB 3.48Å; T8-F90 WeakPolarHBondContact O-CD2 3.43Å; T8-F90 PolarHBondContact O-N 3.34Å; T8-F90 PolarHBondContact OG1-N 2.87Å; T8-A91 PolarHBondContact O-N 3.48Å; T8-A91 VanDerWaalsContact O-N 3.11Å; T8-A91 VanDerWaalsContact OG1-CB 3.25Å; T8-A91 WeakPolarHBondContact OG1-CB 3.4Å; T8-A91 PolarHBondContact OG1-N 3.42Å; T8-L117 HydrophobicContact CG2-CD1 4.42Å; T8-L117 HydrophobicContact CG2-CD2 4.13Å
9	G	98.4	Very high	95.9	Very high	11 Å²	11	27.3 Å²	27.3	11%	0.113	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	23.9	-171	0	0	0	0	0	112	A11 G12 V32 D33	G9-A11 PolarHBondContact O-N 3.34Å; G9-G12 PolarHBondContact O-N 3.08Å; G9-V32 PolarHBondContact N-O 3.17Å; G9-D33 VanDerWaalsContact CA-OD2 3.22Å; G9-D33 WeakPolarHBondContact CA-OD2 3.46Å
10	G	98.3	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.5	-170.4	0	0	0	0	0	114.3	T8 G15 S16 V32	T8-G10 PolarHBondContact O-N 3.49Å; G10-G15 CarbonylContact O-C 3.58Å; G10-G15 VanDerWaalsContact O-C 3.26Å; G10-S16 VanDerWaalsContact O-CA 3.23Å; G10-S16 WeakPolarHBondContact O-CA 3.4Å; G10-S16 PolarHBondContact O-N 3Å; G10-V32 PolarHBondContact N-O 3.39Å
11	A	97.6	Very high	96.2	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.033	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-14	172.2	0	0	0	0	0	113.1	G9 D33 A38 A48 S50 I51 F64	G9-A11 PolarHBondContact O-N 3.34Å; A11-D33 HydrophobicContact CB-CB 3.81Å; A11-D33 WeakPolarHBondContact CB-OD2 3.32Å; A11-D33 PolarHBondContact N-OD2 3.19Å; A11-A38 HydrophobicContact CB-CB 3.74Å; A11-A48 HydrophobicContact CB-CB 3.35Å; A11-S50 PolarHBondContact O-OG 3.5Å; A11-I51 HydrophobicContact CB-CG1 4.4Å; A11-F64 HydrophobicContact CB-CE2 4.16Å
12	G	97.1	Very high	97.8	Very high	18 Å²	18	13.9 Å²	13.9	19%	0.186	8%	0.082	C	C	.	.	S	Bend	trans	-70.6	-179.8	177.4	0	0	0	0	0	113.7	G9 S16	G9-G12 PolarHBondContact O-N 3.08Å; G12-S16 WeakPolarHBondContact O-CB 3.28Å; G12-S16 PolarHBondContact O-N 3.36Å; G12-S16 PolarHBondContact O-OG 3.41Å
13	Y	98.4	Very high	98.4	Very high	23 Å²	23	13 Å²	13	9%	0.09	7%	0.07	C	C	.	.	H	α-helix	trans	-56.4	-62.9	-174.1	174.9	-140.2	0	0	0	113.7	S16 H17 P190 I191 G192 E201 V246	Y13-S16 PolarHBondContact O-OG 3.39Å; Y13-H17 AromaticContact CD2-CE1 3.76Å; Y13-H17 AromaticContact CE2-CE1 3.69Å; Y13-H17 PolarHBondContact O-ND1 3.12Å; Y13-P190 HydrophobicContact CE1-CB 4.29Å; Y13-I191 VanDerWaalsContact OH-CA 3.28Å; Y13-I191 WeakPolarHBondContact OH-CA 3.14Å; Y13-I191 PolarHBondContact OH-O 2.86Å; Y13-G192 PolarHBondContact OH-N 3.01Å; Y13-G192 PolarHBondContact OH-O 3.15Å; Y13-E201 HydrophobicContact CD1-CB 3.89Å; Y13-E201 HydrophobicContact CD1-CG 3.79Å; Y13-E201 HydrophobicContact CD2-CB 3.59Å; Y13-E201 HydrophobicContact CD2-CG 4.21Å; Y13-E201 HydrophobicContact CE1-CB 4.04Å; Y13-E201 HydrophobicContact CE1-CG 4.28Å; Y13-E201 HydrophobicContact CE2-CB 3.74Å; Y13-E201 HydrophobicContact CG-CB 3.66Å; Y13-E201 HydrophobicContact CG-CG 3.73Å; Y13-V246 HydrophobicContact CD2-CG2 4.32Å; Y13-V246 HydrophobicContact CE1-CB 4.31Å; Y13-V246 HydrophobicContact CE1-CG2 4.13Å; Y13-V246 HydrophobicContact CE2-CB 4.03Å; Y13-V246 HydrophobicContact CE2-CG1 3.85Å; Y13-V246 HydrophobicContact CE2-CG2 3.84Å; Y13-V246 WeakPolarHBondContact OH-CB 2.92Å; Y13-V246 WeakPolarHBondContact OH-CG1 3.4Å
14	I	98.7	Very high	98.5	Very high	31 Å²	31	15 Å²	15	16%	0.159	8%	0.079	C	C	.	.	H	α-helix	trans	-70.8	-43.6	-177.5	-52.9	168.4	0	0	0	110.1	S16 H17 C18 F90 Y187 P190 V246 L249	I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.04Å; I14-H17 PolarHBondContact O-N 3.16Å; I14-H17 VanDerWaalsContact O-N 3.13Å; I14-C18 PolarHBondContact O-N 2.94Å; I14-C18 PolarHBondContact O-SG 3.31Å; I14-C18 VanDerWaalsContact O-SG 3.38Å; I14-F90 HydrophobicContact CB-CD1 4.29Å; I14-F90 HydrophobicContact CB-CE1 4.32Å; I14-F90 HydrophobicContact CG2-CD1 4.14Å; I14-F90 HydrophobicContact CG2-CE1 3.7Å; I14-Y187 HydrophobicContact CD1-CD2 3.99Å; I14-Y187 HydrophobicContact CD1-CE2 4.18Å; I14-P190 HydrophobicContact CD1-CB 4.48Å; I14-P190 HydrophobicContact CD1-CG 3.8Å; I14-P190 HydrophobicContact CG1-CG 4.25Å; I14-V246 HydrophobicContact CG1-CG2 4.41Å; I14-L249 HydrophobicContact CD1-CD2 4.03Å; I14-L249 HydrophobicContact CG1-CD2 4.32Å; I14-L249 HydrophobicContact CG2-CD2 3.89Å; I14-L249 HydrophobicContact CG2-CG 4.39Å
15	G	98.7	Very high	98.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-55.3	-43.8	-178.9	0	0	0	0	0	113.1	G10 H17 C18 V19	G10-G15 CarbonylContact O-C 3.58Å; G10-G15 VanDerWaalsContact O-C 3.26Å; G15-H17 PolarHBondContact O-N 3.3Å; G15-C18 WeakPolarHBondContact O-CB 3.42Å; G15-C18 PolarHBondContact O-N 3.33Å; G15-V19 WeakPolarHBondContact O-CG2 3.34Å; G15-V19 PolarHBondContact O-N 3.19Å
16	S	98.8	Very high	98.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.007	11%	0.112	C	C	.	.	H	α-helix	trans	-66.1	-36.3	179.3	58.1	0	0	0	0	112.8	G10 G12 Y13 I14 V19 V20 I54	G10-S16 VanDerWaalsContact O-CA 3.23Å; G10-S16 WeakPolarHBondContact O-CA 3.4Å; G10-S16 PolarHBondContact O-N 3Å; G12-S16 WeakPolarHBondContact O-CB 3.28Å; G12-S16 PolarHBondContact O-N 3.36Å; G12-S16 PolarHBondContact O-OG 3.41Å; Y13-S16 PolarHBondContact O-OG 3.39Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.04Å; S16-V19 WeakPolarHBondContact O-CB 3.15Å; S16-V19 PolarHBondContact O-N 3.42Å; S16-V20 PolarHBondContact O-N 2.89Å; S16-I54 VanDerWaalsContact O-CD1 3.22Å; S16-I54 WeakPolarHBondContact O-CD1 3.5Å
17	H	98.9	Very high	98.4	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-68.9	-37.8	173.7	-67.2	72.2	0	0	0	111.1	Y13 I14 G15 V19 V20 E21 H194 V246 A250	Y13-H17 AromaticContact CD2-CE1 3.76Å; Y13-H17 AromaticContact CE2-CE1 3.69Å; Y13-H17 PolarHBondContact O-ND1 3.12Å; I14-H17 PolarHBondContact O-N 3.16Å; I14-H17 VanDerWaalsContact O-N 3.13Å; G15-H17 PolarHBondContact O-N 3.3Å; H17-V19 VanDerWaalsContact C-N 3.3Å; H17-V19 PolarHBondContact O-N 2.99Å; H17-V20 WeakPolarHBondContact O-CB 3.4Å; H17-V20 PolarHBondContact O-N 3.22Å; H17-E21 WeakPolarHBondContact O-CG 3.11Å; H17-E21 PolarHBondContact O-N 3.37Å; H17-E21 VanDerWaalsContact O-N 3.14Å; H17-H194 PolarHBondContact NE2-N 3.23Å; H17-V246 HydrophobicContact CB-CG2 4.07Å; H17-A250 HydrophobicContact CB-CB 3.99Å
18	C	98.9	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-33.4	172.9	-65.4	0	0	0	0	112.6	I14 G15 E21 L22 M88 F90 A250	I14-C18 PolarHBondContact O-N 2.94Å; I14-C18 PolarHBondContact O-SG 3.31Å; I14-C18 VanDerWaalsContact O-SG 3.38Å; G15-C18 WeakPolarHBondContact O-CB 3.42Å; G15-C18 PolarHBondContact O-N 3.33Å; C18-E21 PolarHBondContact O-N 3.06Å; C18-L22 VanDerWaalsContact O-CB 3.29Å; C18-L22 WeakPolarHBondContact O-CB 3.23Å; C18-L22 VanDerWaalsContact O-CG 3.23Å; C18-L22 WeakPolarHBondContact O-CG 3.39Å; C18-L22 PolarHBondContact O-N 2.88Å; C18-M88 HydrophobicContact CB-SD 4.27Å; C18-F90 HydrophobicContact CB-CE2 4.16Å; C18-F90 HydrophobicContact CB-CZ 3.83Å; C18-F90 WeakPolarHBondContact SG-CZ 3.38Å; C18-A250 VanDerWaalsContact SG-CA 3.57Å
19	V	98.9	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-41.4	173.6	169.7	0	0	0	0	111.3	V7 G15 S16 H17 I23 P29 V31 I51 I54 I62	V7-V19 HydrophobicContact CB-CG2 4.4Å; V7-V19 HydrophobicContact CG1-CG2 4.11Å; V7-V19 HydrophobicContact CG2-CG2 4.36Å; G15-V19 WeakPolarHBondContact O-CG2 3.34Å; G15-V19 PolarHBondContact O-N 3.19Å; S16-V19 WeakPolarHBondContact O-CB 3.15Å; S16-V19 PolarHBondContact O-N 3.42Å; H17-V19 VanDerWaalsContact C-N 3.3Å; H17-V19 PolarHBondContact O-N 2.99Å; V19-I23 HydrophobicContact CG1-CD1 4.02Å; V19-I23 WeakPolarHBondContact O-CD1 3.18Å; V19-I23 WeakPolarHBondContact O-CG1 3.29Å; V19-I23 PolarHBondContact O-N 2.96Å; V19-P29 HydrophobicContact CG1-CB 4.44Å; V19-P29 HydrophobicContact CG1-CG 4.05Å; V19-V31 HydrophobicContact CG1-CG2 4.42Å; V19-V31 HydrophobicContact CG2-CG2 3.63Å; V19-I51 HydrophobicContact CG1-CD1 4.36Å; V19-I51 HydrophobicContact CG2-CD1 4.39Å; V19-I54 HydrophobicContact CB-CD1 4.36Å; V19-I54 HydrophobicContact CG1-CD1 4.27Å; V19-I54 HydrophobicContact CG1-CG2 4.44Å; V19-I62 HydrophobicContact CG1-CD1 3.83Å; V19-I62 HydrophobicContact CG1-CG2 4.46Å
20	V	98.8	Very high	98.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-56.2	173.4	176.7	0	0	0	0	110.2	S16 H17 L22 I23 E24 I54 L58 I199	S16-V20 PolarHBondContact O-N 2.89Å; H17-V20 WeakPolarHBondContact O-CB 3.4Å; H17-V20 PolarHBondContact O-N 3.22Å; V20-L22 VanDerWaalsContact C-N 3.27Å; V20-L22 PolarHBondContact O-N 2.99Å; V20-I23 PolarHBondContact O-N 2.91Å; V20-I23 VanDerWaalsContact O-N 3.13Å; V20-E24 HydrophobicContact CG1-CG 4.39Å; V20-E24 WeakPolarHBondContact O-CG 3.42Å; V20-E24 PolarHBondContact O-N 3.34Å; V20-I54 HydrophobicContact CG2-CB 4.44Å; V20-I54 HydrophobicContact CG2-CD1 3.88Å; V20-I54 HydrophobicContact CG2-CG1 3.72Å; V20-I54 HydrophobicContact CG2-CG2 3.85Å; V20-L58 HydrophobicContact CG1-CD1 4.29Å; V20-I199 HydrophobicContact CG2-CD1 3.79Å
21	E	98.8	Very high	98.4	Very high	16 Å²	16	22.1 Å²	22.1	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-31.5	-175.7	-61.4	-64.6	151.5	0	0	112.6	H17 C18 A25 V247 A250 K251 I254	H17-E21 WeakPolarHBondContact O-CG 3.11Å; H17-E21 PolarHBondContact O-N 3.37Å; H17-E21 VanDerWaalsContact O-N 3.14Å; C18-E21 PolarHBondContact O-N 3.06Å; E21-A25 WeakPolarHBondContact O-CB 3.47Å; E21-A25 PolarHBondContact O-N 2.69Å; E21-V247 WeakPolarHBondContact OE1-CG1 3.45Å; E21-A250 HydrophobicContact CB-CB 4.45Å; E21-A250 HydrophobicContact CG-CB 3.65Å; E21-K251 HydrophobicContact CG-CG 4.16Å; E21-K251 WeakPolarHBondContact OE2-CE 3.38Å; E21-K251 WeakPolarHBondContact OE2-CG 3.39Å; E21-I254 HydrophobicContact CB-CD1 4.09Å; E21-I254 HydrophobicContact CB-CG1 3.84Å
22	L	98.7	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-48.6	173.4	-85.3	169.4	0	0	0	111.5	V5 V7 C18 V20 A25 G26 Y27 P29 M88 I254 L257	V5-L22 HydrophobicContact CB-CD1 4.41Å; V5-L22 HydrophobicContact CB-CD2 4.24Å; V5-L22 HydrophobicContact CG1-CD1 4.22Å; V5-L22 HydrophobicContact CG1-CD2 4.33Å; V5-L22 HydrophobicContact CG2-CD2 4.08Å; V7-L22 HydrophobicContact CG2-CD1 3.48Å; V7-L22 VanDerWaalsContact CG2-CD1 3.48Å; C18-L22 VanDerWaalsContact O-CB 3.29Å; C18-L22 WeakPolarHBondContact O-CB 3.23Å; C18-L22 VanDerWaalsContact O-CG 3.23Å; C18-L22 WeakPolarHBondContact O-CG 3.39Å; C18-L22 PolarHBondContact O-N 2.88Å; V20-L22 VanDerWaalsContact C-N 3.27Å; V20-L22 PolarHBondContact O-N 2.99Å; L22-A25 CarbonylContact O-C 3.55Å; L22-A25 PolarHBondContact O-N 3.18Å; L22-G26 PolarHBondContact O-N 3.42Å; L22-Y27 HydrophobicContact CD2-CD2 4Å; L22-Y27 HydrophobicContact CD2-CG 3.83Å; L22-Y27 WeakPolarHBondContact O-CB 3.34Å; L22-Y27 PolarHBondContact O-N 2.95Å; L22-P29 HydrophobicContact CD1-CB 4.16Å; L22-M88 HydrophobicContact CD1-CE 4.17Å; L22-M88 HydrophobicContact CD1-SD 3.97Å; L22-M88 HydrophobicContact CD2-CE 3.78Å; L22-M88 HydrophobicContact CG-CE 4.07Å; L22-M88 HydrophobicContact CG-SD 4.44Å; L22-I254 HydrophobicContact CB-CD1 4.47Å; L22-I254 HydrophobicContact CD2-CD1 3.85Å; L22-I254 HydrophobicContact CG-CD1 3.93Å; L22-L257 HydrophobicContact CD2-CD1 3.48Å; L22-L257 VanDerWaalsContact CD2-CD1 3.48Å
23	I	98.6	Very high	98.5	Very high	35 Å²	35	21.8 Å²	21.8	18%	0.179	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-45.7	-179.2	-67.3	164.9	0	0	0	110	V19 V20 A25 G26 P29 I54 L58 T60 I62	V19-I23 HydrophobicContact CG1-CD1 4.02Å; V19-I23 WeakPolarHBondContact O-CD1 3.18Å; V19-I23 WeakPolarHBondContact O-CG1 3.29Å; V19-I23 PolarHBondContact O-N 2.96Å; V20-I23 PolarHBondContact O-N 2.91Å; V20-I23 VanDerWaalsContact O-N 3.13Å; I23-A25 PolarHBondContact O-N 3.17Å; I23-G26 PolarHBondContact O-N 3.49Å; I23-P29 HydrophobicContact CD1-CG 3.94Å; I23-P29 HydrophobicContact CG1-CG 3.66Å; I23-I54 HydrophobicContact CD1-CG2 4.33Å; I23-L58 HydrophobicContact CB-CD1 3.85Å; I23-L58 HydrophobicContact CD1-CD1 3.9Å; I23-L58 HydrophobicContact CG1-CD1 4.49Å; I23-L58 HydrophobicContact CG2-CD1 3.72Å; I23-T60 HydrophobicContact CD1-CG2 4.08Å; I23-T60 HydrophobicContact CG2-CG2 4.13Å; I23-I62 HydrophobicContact CD1-CD1 3.67Å; I23-I62 HydrophobicContact CD1-CG1 3.82Å
24	E	98.1	Very high	98.4	Very high	116 Å²	116	23.3 Å²	23.3	54%	0.542	14%	0.135	S	C	.	.	H	α-helix	trans	-62.6	-32.1	177.3	-68.5	-169.8	158.7	0	0	112.4	V20 G26 L58	V20-E24 HydrophobicContact CG1-CG 4.39Å; V20-E24 WeakPolarHBondContact O-CG 3.42Å; V20-E24 PolarHBondContact O-N 3.34Å; E24-G26 VanDerWaalsContact C-N 3.26Å; E24-G26 PolarHBondContact O-N 3.46Å; E24-L58 HydrophobicContact CG-CD2 4.35Å
25	A	97.9	Very high	98.2	Very high	49 Å²	49	23 Å²	23	41%	0.405	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.8	173.6	0	0	0	0	0	114.2	E21 L22 I23 Y27 I254	E21-A25 WeakPolarHBondContact O-CB 3.47Å; E21-A25 PolarHBondContact O-N 2.69Å; L22-A25 CarbonylContact O-C 3.55Å; L22-A25 PolarHBondContact O-N 3.18Å; I23-A25 PolarHBondContact O-N 3.17Å; A25-Y27 HydrophobicContact CB-CD2 3.85Å; A25-Y27 HydrophobicContact CB-CE2 4.05Å; A25-I254 HydrophobicContact CB-CD1 4.47Å; A25-I254 HydrophobicContact CB-CG2 3.85Å
26	G	97.8	Very high	97.9	Very high	53 Å²	53	26.4 Å²	26.4	55%	0.546	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	13.6	175.9	0	0	0	0	0	115.4	L22 I23 E24	L22-G26 PolarHBondContact O-N 3.42Å; I23-G26 PolarHBondContact O-N 3.49Å; E24-G26 VanDerWaalsContact C-N 3.26Å; E24-G26 PolarHBondContact O-N 3.46Å
27	Y	98.3	Very high	97.6	Very high	27 Å²	27	29.4 Å²	29.4	11%	0.106	17%	0.172	C	C	.	.			trans	-84.7	161	171.2	-66.2	-91.9	0	0	0	111.2	E3 V5 L22 A25 P29 L257	E3-Y27 HydrophobicContact CB-CD1 3.79Å; E3-Y27 HydrophobicContact CB-CE1 4.03Å; V5-Y27 HydrophobicContact CG2-CD1 3.74Å; V5-Y27 HydrophobicContact CG2-CE1 4.43Å; V5-Y27 HydrophobicContact CG2-CG 4.33Å; L22-Y27 HydrophobicContact CD2-CD2 4Å; L22-Y27 HydrophobicContact CD2-CG 3.83Å; L22-Y27 WeakPolarHBondContact O-CB 3.34Å; L22-Y27 PolarHBondContact O-N 2.95Å; A25-Y27 HydrophobicContact CB-CD2 3.85Å; A25-Y27 HydrophobicContact CB-CE2 4.05Å; Y27-P29 WeakPolarHBondContact O-CD 3.49Å; Y27-L257 HydrophobicContact CD1-CD1 4.36Å; Y27-L257 HydrophobicContact CE1-CD1 4.11Å; Y27-L257 HydrophobicContact CE2-CD1 4.34Å
28	Q	98.4	Very high	97.3	Very high	80 Å²	80	29.9 Å²	29.9	37%	0.374	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	98.8	174.3	-174.7	176	12.3	0	0	110.2	A2 E3 K4 V5	A2-Q28 HydrophobicContact CB-CB 4.16Å; E3-Q28 PolarHBondContact O-N 2.89Å; K4-Q28 VanDerWaalsContact CA-O 3.29Å; K4-Q28 WeakPolarHBondContact CA-O 3.24Å; K4-Q28 VanDerWaalsContact CE-OE1 3.24Å; K4-Q28 HydrophobicContact CG-CB 4.21Å; K4-Q28 HydrophobicContact CG-CG 4.39Å; V5-Q28 PolarHBondContact N-O 3.48Å
29	P	98.5	Very high	96.9	Very high	7 Å²	7	30.5 Å²	30.5	5%	0.045	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	140.9	176.9	28.3	-33	0	0	0	111.5	V5 V7 V19 L22 I23 Y27 V31	V5-P29 CarbonylContact O-C 3.4Å; V5-P29 WeakPolarHBondContact O-CA 3.48Å; V7-P29 HydrophobicContact CG2-CB 4.11Å; V19-P29 HydrophobicContact CG1-CB 4.44Å; V19-P29 HydrophobicContact CG1-CG 4.05Å; L22-P29 HydrophobicContact CD1-CB 4.16Å; I23-P29 HydrophobicContact CD1-CG 3.94Å; I23-P29 HydrophobicContact CG1-CG 3.66Å; Y27-P29 WeakPolarHBondContact O-CD 3.49Å; P29-V31 HydrophobicContact CB-CG2 4.48Å
30	V	98.7	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.4	159.9	179.5	0	0	0	0	106.7	V5 L6 V7 E63 L78 F84	V5-V30 PolarHBondContact O-N 3.18Å; L6-V30 WeakPolarHBondContact CA-O 3.37Å; V7-V30 PolarHBondContact N-O 2.84Å; V30-E63 HydrophobicContact CG1-CB 4.46Å; V30-E63 HydrophobicContact CG1-CG 4.2Å; V30-E63 HydrophobicContact CG2-CB 4.44Å; V30-L78 HydrophobicContact CG1-CD1 4.32Å; V30-F84 HydrophobicContact CB-CE1 3.74Å; V30-F84 HydrophobicContact CB-CZ 4.16Å; V30-F84 HydrophobicContact CG1-CE1 4.32Å; V30-F84 HydrophobicContact CG1-CZ 4.24Å; V30-F84 HydrophobicContact CG2-CE1 3.74Å; V30-F84 HydrophobicContact CG2-CZ 4.37Å
31	V	98.8	Very high	95.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.8	-171.8	178.9	0	0	0	0	110	V7 V19 P29 I51 I62 E63 F64 H65	V7-V31 HydrophobicContact CB-CG2 4.47Å; V19-V31 HydrophobicContact CG1-CG2 4.42Å; V19-V31 HydrophobicContact CG2-CG2 3.63Å; P29-V31 HydrophobicContact CB-CG2 4.48Å; V31-I51 HydrophobicContact CG1-CD1 4.18Å; V31-I51 HydrophobicContact CG1-CG1 4.42Å; V31-I51 HydrophobicContact CG2-CD1 4.15Å; V31-I62 HydrophobicContact CG2-CG2 3.82Å; V31-E63 PolarHBondContact N-O 3.24Å; V31-F64 HydrophobicContact CB-CD2 3.95Å; V31-F64 HydrophobicContact CG1-CD2 3.62Å; V31-F64 HydrophobicContact CG1-CE2 3.9Å; V31-F64 CarbonylContact O-C 3.6Å; V31-F64 WeakPolarHBondContact O-CA 3.45Å; V31-H65 PolarHBondContact O-N 3.13Å
32	V	98.5	Very high	94	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.8	167.6	-53.2	0	0	0	0	110.8	L6 V7 T8 G9 G10 H65 L67 L69 L78	L6-V32 HydrophobicContact CD1-CG1 3.72Å; L6-V32 HydrophobicContact CD1-CG2 4.12Å; V7-V32 PolarHBondContact O-N 2.68Å; T8-V32 CarbonylContact C-O 3.57Å; T8-V32 HydrophobicContact CG2-CG2 3.8Å; G9-V32 PolarHBondContact N-O 3.17Å; G10-V32 PolarHBondContact N-O 3.39Å; V32-H65 VanDerWaalsContact CA-O 3.32Å; V32-H65 WeakPolarHBondContact CA-O 3.3Å; V32-H65 HydrophobicContact CG1-CB 4.16Å; V32-L67 HydrophobicContact CB-CB 4.33Å; V32-L69 HydrophobicContact CG2-CD2 4.24Å; V32-L78 HydrophobicContact CG1-CD2 3.39Å
33	D	98	Very high	92.3	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.07	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	154	176	-152.9	-68.6	0	0	0	110.1	G9 A11 Y35 F64 H65 E66 L67	G9-D33 VanDerWaalsContact CA-OD2 3.22Å; G9-D33 WeakPolarHBondContact CA-OD2 3.46Å; A11-D33 HydrophobicContact CB-CB 3.81Å; A11-D33 WeakPolarHBondContact CB-OD2 3.32Å; A11-D33 PolarHBondContact N-OD2 3.19Å; D33-Y35 PolarHBondContact OD1-N 3Å; D33-F64 HydrophobicContact CB-CE2 3.94Å; D33-F64 HydrophobicContact CB-CZ 4.03Å; D33-H65 PolarHBondContact N-O 2.89Å; D33-E66 CarbonylContact O-C 3.56Å; D33-E66 VanDerWaalsContact O-CA 3.25Å; D33-E66 WeakPolarHBondContact O-CA 3.38Å; D33-L67 CarbonylContact C-O 3Å; D33-L67 PolarHBondContact O-N 3.06Å
34	N	95.6	Very high	90.3	Very high	55 Å²	55	50.7 Å²	50.7	29%	0.294	31%	0.308	S	S	.	.			trans	-108.6	6.7	176.9	74.7	-7.4	0	0	0	113	S36 D68	N34-S36 PolarHBondContact O-N 3.38Å; N34-S36 VanDerWaalsContact O-N 3.16Å; N34-S36 WeakPolarHBondContact OD1-CB 3.41Å; N34-S36 PolarHBondContact OD1-N 2.84Å; N34-S36 PolarHBondContact OD1-OG 3.3Å; N34-D68 HydrophobicContact CB-CB 4.14Å; N34-D68 PolarHBondContact ND2-OD2 3.08Å
35	Y	94	Very high	88.4	Confident	24 Å²	24	47.4 Å²	47.4	9%	0.094	31%	0.305	C	S	.	.			trans	63.8	12.1	-178.5	-59.9	-79.6	0	0	0	115.6	D33 N37 A38 R40 N46 A48 F64 E66	D33-Y35 PolarHBondContact OD1-N 3Å; Y35-N37 PolarHBondContact O-N 2.9Å; Y35-N37 VanDerWaalsContact O-N 3.09Å; Y35-A38 HydrophobicContact CD1-CB 4.33Å; Y35-R40 HydrophobicContact CD1-CB 4.49Å; Y35-R40 HydrophobicContact CD1-CG 3.57Å; Y35-R40 HydrophobicContact CD2-CG 4.19Å; Y35-R40 VanDerWaalsContact CD2-CZ 3.49Å; Y35-R40 HydrophobicContact CE1-CB 4.23Å; Y35-R40 HydrophobicContact CE1-CG 3.56Å; Y35-R40 HydrophobicContact CE2-CG 4.17Å; Y35-R40 HydrophobicContact CG-CG 3.87Å; Y35-N46 PolarHBondContact OH-O 3.2Å; Y35-A48 HydrophobicContact CE1-CB 3.64Å; Y35-A48 PolarHBondContact OH-N 3.32Å; Y35-A48 VanDerWaalsContact OH-N 3.08Å; Y35-F64 HydrophobicContact CE1-CZ 4.17Å; Y35-F64 AromaticContact CE2-CE1 3.92Å; Y35-F64 HydrophobicContact CE2-CE1 3.92Å; Y35-F64 AromaticContact CE2-CZ 3.89Å; Y35-F64 HydrophobicContact CE2-CZ 3.89Å; Y35-F64 AromaticContact CZ-CE1 3.64Å; Y35-F64 AromaticContact CZ-CZ 3.51Å; Y35-F64 WeakPolarHBondContact OH-CE1 3.45Å; Y35-F64 VanDerWaalsContact OH-CZ 3.3Å; Y35-F64 WeakPolarHBondContact OH-CZ 3.48Å; Y35-E66 HydrophobicContact CD2-CG 3.9Å; Y35-E66 HydrophobicContact CE2-CB 4.03Å; Y35-E66 HydrophobicContact CE2-CG 3.83Å
36	S	92.4	Very high	87.4	Confident	74 Å²	74	49.6 Å²	49.6	52%	0.517	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27	179.2	56.8	0	0	0	0	113.6	N34	N34-S36 PolarHBondContact O-N 3.38Å; N34-S36 VanDerWaalsContact O-N 3.16Å; N34-S36 WeakPolarHBondContact OD1-CB 3.41Å; N34-S36 PolarHBondContact OD1-N 2.84Å; N34-S36 PolarHBondContact OD1-OG 3.3Å
37	N	92.4	Very high	87.1	Confident	64 Å²	64	48.1 Å²	48.1	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.8	39.8	171.6	-168.5	43.2	0	0	0	111.7	Y35 Q204	Y35-N37 PolarHBondContact O-N 2.9Å; Y35-N37 VanDerWaalsContact O-N 3.09Å; N37-Q204 PolarHBondContact OD1-N 3.48Å; N37-Q204 VanDerWaalsContact OD1-N 3.13Å
38	A	92.8	Very high	86.9	Confident	11 Å²	11	46.9 Å²	46.9	9%	0.091	29%	0.286	C	S	.	.	S	Bend	trans	-136	154.5	174.3	0	0	0	0	0	109.8	A11 Y35	A11-A38 HydrophobicContact CB-CB 3.74Å; Y35-A38 HydrophobicContact CD1-CB 4.33Å
39	V	92.1	Very high	86.8	Confident	13 Å²	13	43.6 Å²	43.6	8%	0.079	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-97.5	127.9	-174.3	-179.6	0	0	0	0	110.5	A48 E49 D202 F346 T347	V39-A48 CarbonylContact O-C 3.57Å; V39-A48 WeakPolarHBondContact O-CA 3.5Å; V39-E49 HydrophobicContact CG1-CB 4.44Å; V39-E49 PolarHBondContact O-N 3.1Å; V39-D202 WeakPolarHBondContact CG2-OD2 3.43Å; V39-F346 HydrophobicContact CB-CB 3.82Å; V39-F346 HydrophobicContact CB-CD2 4.36Å; V39-F346 HydrophobicContact CB-CG 4.49Å; V39-F346 HydrophobicContact CG1-CB 3.82Å; V39-F346 HydrophobicContact CG2-CB 4.04Å; V39-F346 HydrophobicContact CG2-CD2 4.34Å; V39-T347 HydrophobicContact CG1-CG2 3.89Å
40	R	90.6	Very high	86.7	Confident	107 Å²	107	43.3 Å²	43.3	40%	0.404	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-66.6	148.8	169.9	-67.9	-178.5	-178.3	-88.8	-1.3	110.6	Y35 G42 N46 E66	Y35-R40 HydrophobicContact CD1-CB 4.49Å; Y35-R40 HydrophobicContact CD1-CG 3.57Å; Y35-R40 HydrophobicContact CD2-CG 4.19Å; Y35-R40 VanDerWaalsContact CD2-CZ 3.49Å; Y35-R40 HydrophobicContact CE1-CB 4.23Å; Y35-R40 HydrophobicContact CE1-CG 3.56Å; Y35-R40 HydrophobicContact CE2-CG 4.17Å; Y35-R40 HydrophobicContact CG-CG 3.87Å; R40-G42 PolarHBondContact O-N 3.43Å; R40-N46 PolarHBondContact NH1-OD1 3.21Å; R40-E66 IonicContact CZ-OE1 3.94Å; R40-E66 IonicContact CZ-OE2 2.93Å; R40-E66 IonicContact NH1-OE1 2.84Å; R40-E66 IonicContact NH1-OE2 3.76Å; R40-E66 PolarHBondContact NH1-OE2 2.88Å; R40-E66 IonicContact NH2-OE1 3.22Å; R40-E66 PolarHBondContact NH2-OE1 3.46Å; R40-E66 IonicContact NH2-OE2 3.68Å; R40-E66 PolarHBondContact NH2-OE2 3.07Å; R40-E66 VanDerWaalsContact NH2-OE2 3.09Å
41	D	78.9	Confident	86.7	Confident	21 Å²	21	43.3 Å²	43.3	11%	0.112	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-62.9	135.6	166.1	72.8	-25.1	0	0	0	109.9	G43 G45 N46 V47	D41-G43 PolarHBondContact O-N 3.21Å; D41-G45 WeakPolarHBondContact OD2-CA 3.16Å; D41-G45 PolarHBondContact OD2-N 3.06Å; D41-N46 PolarHBondContact OD1-N 3.09Å; D41-V47 VanDerWaalsContact CB-O 3.24Å; D41-V47 WeakPolarHBondContact CB-O 3.39Å; D41-V47 PolarHBondContact N-O 3.28Å; D41-V47 PolarHBondContact OD1-N 2.93Å; D41-V47 VanDerWaalsContact OD1-O 3.07Å
42	G	65.4	Low	86.5	Confident	93 Å²	93	47.1 Å²	47.1	96%	0.959	28%	0.283	S	S	*	.	S	Bend	trans	-72.8	21.8	176.6	0	0	0	0	0	113.5	R40	R40-G42 PolarHBondContact O-N 3.43Å
43	G	63.4	Low	86.4	Confident	51 Å²	51	48.3 Å²	48.3	53%	0.526	29%	0.287	S	S	.	.	S	Bend	trans	-125.5	-166.2	-173.8	0	0	0	0	0	112.5	D41 G45	D41-G43 PolarHBondContact O-N 3.21Å; G43-G45 VanDerWaalsContact C-N 3.29Å; G43-G45 PolarHBondContact O-N 3.42Å
44	E	54.8	Low	86.4	Confident	205 Å²	205	47.7 Å²	47.7	96%	0.958	28%	0.284	S	S	*	.	S	Bend	trans	-82.1	-2.7	-176	-63.5	178.2	174.5	0	0	113.7	N46	E44-N46 PolarHBondContact O-N 2.84Å
45	G	59.1	Low	86.5	Confident	46 Å²	46	47.3 Å²	47.3	47%	0.474	28%	0.28	S	S	.	.	S	Bend	trans	-78.5	-13.8	-164	0	0	0	0	0	116.5	D41 G43 V47	D41-G45 WeakPolarHBondContact OD2-CA 3.16Å; D41-G45 PolarHBondContact OD2-N 3.06Å; G43-G45 VanDerWaalsContact C-N 3.29Å; G43-G45 PolarHBondContact O-N 3.42Å; G45-V47 PolarHBondContact O-N 2.78Å
46	N	77.7	Confident	86.6	Confident	95 Å²	95	52.5 Å²	52.5	51%	0.508	30%	0.304	S	S	.	.			trans	48.5	30.6	-175.5	-157.4	31.4	0	0	0	114	Y35 R40 D41 E44	Y35-N46 PolarHBondContact OH-O 3.2Å; R40-N46 PolarHBondContact NH1-OD1 3.21Å; D41-N46 PolarHBondContact OD1-N 3.09Å; E44-N46 PolarHBondContact O-N 2.84Å
47	V	90.6	Very high	86.8	Confident	23 Å²	23	52 Å²	52	14%	0.139	30%	0.295	C	S	.	.	S	Bend	trans	-118.6	148.1	-178.9	161.8	0	0	0	0	108.4	D41 G45 I51 R52 F64	D41-V47 VanDerWaalsContact CB-O 3.24Å; D41-V47 WeakPolarHBondContact CB-O 3.39Å; D41-V47 PolarHBondContact N-O 3.28Å; D41-V47 PolarHBondContact OD1-N 2.93Å; D41-V47 VanDerWaalsContact OD1-O 3.07Å; G45-V47 PolarHBondContact O-N 2.78Å; V47-I51 HydrophobicContact CG1-CB 3.74Å; V47-I51 HydrophobicContact CG1-CG2 3.73Å; V47-R52 HydrophobicContact CG1-CB 4.29Å; V47-F64 HydrophobicContact CG2-CB 4.01Å; V47-F64 HydrophobicContact CG2-CD1 4.23Å; V47-F64 HydrophobicContact CG2-CG 4.3Å
48	A	94.6	Very high	87	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-64.7	140.4	175.2	0	0	0	0	0	111.8	A11 Y35 V39 S50 I51 R52 F64	A11-A48 HydrophobicContact CB-CB 3.35Å; Y35-A48 HydrophobicContact CE1-CB 3.64Å; Y35-A48 PolarHBondContact OH-N 3.32Å; Y35-A48 VanDerWaalsContact OH-N 3.08Å; V39-A48 CarbonylContact O-C 3.57Å; V39-A48 WeakPolarHBondContact O-CA 3.5Å; A48-S50 PolarHBondContact O-N 3.32Å; A48-I51 HydrophobicContact CB-CB 4.47Å; A48-I51 HydrophobicContact CB-CG1 4.11Å; A48-I51 WeakPolarHBondContact O-CA 3.28Å; A48-I51 WeakPolarHBondContact O-CB 3.32Å; A48-I51 PolarHBondContact O-N 3.22Å; A48-R52 PolarHBondContact O-N 2.97Å; A48-F64 HydrophobicContact CB-CE2 4.12Å; A48-F64 HydrophobicContact CB-CZ 4.32Å
49	E	95.6	Very high	87.2	Confident	12 Å²	12	57.9 Å²	57.9	6%	0.056	32%	0.324	C	S	.	.	H	α-helix	trans	-59	-34.8	-177.7	177.3	58.1	-162.2	0	0	111.8	V39 R52 R53 F346	V39-E49 HydrophobicContact CG1-CB 4.44Å; V39-E49 PolarHBondContact O-N 3.1Å; E49-R52 VanDerWaalsContact CD-NH2 3.29Å; E49-R52 PolarHBondContact O-N 3.01Å; E49-R52 IonicContact OE1-CZ 3.09Å; E49-R52 IonicContact OE1-NE 3.34Å; E49-R52 IonicContact OE1-NH2 3.15Å; E49-R52 PolarHBondContact OE1-NH2 2.97Å; E49-R52 IonicContact OE2-CZ 3.2Å; E49-R52 IonicContact OE2-NE 3.11Å; E49-R52 PolarHBondContact OE2-NE 3.47Å; E49-R52 IonicContact OE2-NH2 2.82Å; E49-R52 PolarHBondContact OE2-NH2 3.42Å; E49-R52 VanDerWaalsContact OE2-NH2 3.07Å; E49-R53 VanDerWaalsContact O-CG 3.29Å; E49-R53 WeakPolarHBondContact O-CG 3.05Å; E49-R53 PolarHBondContact O-N 2.86Å; E49-R53 WeakPolarHBondContact OE1-CG 3.42Å; E49-R53 IonicContact OE1-CZ 3.37Å; E49-R53 IonicContact OE1-NE 2.81Å; E49-R53 PolarHBondContact OE1-NE 2.9Å; E49-R53 IonicContact OE1-NH2 2.85Å; E49-F346 HydrophobicContact CB-CB 4.08Å; E49-F346 HydrophobicContact CB-CD1 4.31Å; E49-F346 HydrophobicContact CB-CG 4.27Å; E49-F346 HydrophobicContact CG-CB 3.73Å; E49-F346 HydrophobicContact CG-CD1 3.64Å; E49-F346 HydrophobicContact CG-CG 3.93Å
50	S	96.9	Very high	87.4	Confident	1 Å²	1	60 Å²	60	1%	0.007	34%	0.337	C	S	.	.	H	α-helix	trans	-59.4	-46.1	172.8	55.4	0	0	0	0	111.9	A11 A48 R53 I54	A11-S50 PolarHBondContact O-OG 3.5Å; A48-S50 PolarHBondContact O-N 3.32Å; S50-R53 PolarHBondContact O-N 3.07Å; S50-I54 VanDerWaalsContact O-CG1 3.26Å; S50-I54 WeakPolarHBondContact O-CG1 3.45Å; S50-I54 PolarHBondContact O-N 3.13Å; S50-I54 VanDerWaalsContact O-N 3.1Å
51	I	97.6	Very high	87.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-66.7	-46.2	178.3	-59.5	-56.5	0	0	0	110.9	A11 V19 V31 V47 A48 R53 I54 E55 I62 F64	A11-I51 HydrophobicContact CB-CG1 4.4Å; V19-I51 HydrophobicContact CG1-CD1 4.36Å; V19-I51 HydrophobicContact CG2-CD1 4.39Å; V31-I51 HydrophobicContact CG1-CD1 4.18Å; V31-I51 HydrophobicContact CG1-CG1 4.42Å; V31-I51 HydrophobicContact CG2-CD1 4.15Å; V47-I51 HydrophobicContact CG1-CB 3.74Å; V47-I51 HydrophobicContact CG1-CG2 3.73Å; A48-I51 HydrophobicContact CB-CB 4.47Å; A48-I51 HydrophobicContact CB-CG1 4.11Å; A48-I51 WeakPolarHBondContact O-CA 3.28Å; A48-I51 WeakPolarHBondContact O-CB 3.32Å; A48-I51 PolarHBondContact O-N 3.22Å; I51-R53 PolarHBondContact O-N 3.38Å; I51-I54 HydrophobicContact CD1-CD1 4.26Å; I51-I54 CarbonylContact O-C 3.51Å; I51-I54 WeakPolarHBondContact O-CA 3.48Å; I51-I54 WeakPolarHBondContact O-CB 3.23Å; I51-I54 PolarHBondContact O-N 3.16Å; I51-E55 HydrophobicContact CG2-CG 4.49Å; I51-E55 WeakPolarHBondContact O-CG 3.35Å; I51-E55 PolarHBondContact O-N 3.07Å; I51-I62 HydrophobicContact CG2-CB 3.83Å; I51-I62 HydrophobicContact CG2-CD1 4.04Å; I51-I62 HydrophobicContact CG2-CG2 3.83Å; I51-F64 HydrophobicContact CG1-CD2 4.09Å; I51-F64 HydrophobicContact CG1-CE2 4.47Å
52	R	95.9	Very high	88.5	Confident	80 Å²	80	59.2 Å²	59.2	30%	0.302	35%	0.349	S	S	.	.	H	α-helix	trans	-56.4	-39.8	176.7	-169.9	-169.1	72.9	119.7	1.7	112.2	V47 A48 E49 E55 K56	V47-R52 HydrophobicContact CG1-CB 4.29Å; A48-R52 PolarHBondContact O-N 2.97Å; E49-R52 VanDerWaalsContact CD-NH2 3.29Å; E49-R52 PolarHBondContact O-N 3.01Å; E49-R52 IonicContact OE1-CZ 3.09Å; E49-R52 IonicContact OE1-NE 3.34Å; E49-R52 IonicContact OE1-NH2 3.15Å; E49-R52 PolarHBondContact OE1-NH2 2.97Å; E49-R52 IonicContact OE2-CZ 3.2Å; E49-R52 IonicContact OE2-NE 3.11Å; E49-R52 PolarHBondContact OE2-NE 3.47Å; E49-R52 IonicContact OE2-NH2 2.82Å; E49-R52 PolarHBondContact OE2-NH2 3.42Å; E49-R52 VanDerWaalsContact OE2-NH2 3.07Å; R52-E55 PolarHBondContact O-N 2.87Å; R52-K56 WeakPolarHBondContact O-CG 3.4Å; R52-K56 PolarHBondContact O-N 2.91Å
53	R	96.6	Very high	90	Very high	26 Å²	26	57.1 Å²	57.1	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-69.6	-34.8	176.2	-71.4	-174.2	-171.2	-160.1	2	112.3	E49 S50 I51 K56 L57 Q198 I199 N342	E49-R53 VanDerWaalsContact O-CG 3.29Å; E49-R53 WeakPolarHBondContact O-CG 3.05Å; E49-R53 PolarHBondContact O-N 2.86Å; E49-R53 WeakPolarHBondContact OE1-CG 3.42Å; E49-R53 IonicContact OE1-CZ 3.37Å; E49-R53 IonicContact OE1-NE 2.81Å; E49-R53 PolarHBondContact OE1-NE 2.9Å; E49-R53 IonicContact OE1-NH2 2.85Å; S50-R53 PolarHBondContact O-N 3.07Å; I51-R53 PolarHBondContact O-N 3.38Å; R53-K56 PolarHBondContact O-N 3.43Å; R53-L57 VanDerWaalsContact O-CB 3.23Å; R53-L57 WeakPolarHBondContact O-CB 3.44Å; R53-L57 PolarHBondContact O-N 3.14Å; R53-Q198 WeakPolarHBondContact CD-O 3.27Å; R53-Q198 PolarHBondContact NH1-O 2.93Å; R53-I199 HydrophobicContact CB-CG2 3.98Å; R53-N342 PolarHBondContact NH1-OD1 2.96Å; R53-N342 PolarHBondContact NH2-OD1 2.83Å
54	I	97.9	Very high	91.6	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-44.3	173.1	-64.2	162.9	0	0	0	110.7	S16 V19 V20 I23 S50 I51 K56 L57 L58 I62 I199	S16-I54 VanDerWaalsContact O-CD1 3.22Å; S16-I54 WeakPolarHBondContact O-CD1 3.5Å; V19-I54 HydrophobicContact CB-CD1 4.36Å; V19-I54 HydrophobicContact CG1-CD1 4.27Å; V19-I54 HydrophobicContact CG1-CG2 4.44Å; V20-I54 HydrophobicContact CG2-CB 4.44Å; V20-I54 HydrophobicContact CG2-CD1 3.88Å; V20-I54 HydrophobicContact CG2-CG1 3.72Å; V20-I54 HydrophobicContact CG2-CG2 3.85Å; I23-I54 HydrophobicContact CD1-CG2 4.33Å; S50-I54 VanDerWaalsContact O-CG1 3.26Å; S50-I54 WeakPolarHBondContact O-CG1 3.45Å; S50-I54 PolarHBondContact O-N 3.13Å; S50-I54 VanDerWaalsContact O-N 3.1Å; I51-I54 HydrophobicContact CD1-CD1 4.26Å; I51-I54 CarbonylContact O-C 3.51Å; I51-I54 WeakPolarHBondContact O-CA 3.48Å; I51-I54 WeakPolarHBondContact O-CB 3.23Å; I51-I54 PolarHBondContact O-N 3.16Å; I54-K56 VanDerWaalsContact C-N 3.25Å; I54-K56 PolarHBondContact O-N 3.19Å; I54-L57 PolarHBondContact O-N 3.15Å; I54-L57 VanDerWaalsContact O-N 3.1Å; I54-L58 HydrophobicContact CG2-CD1 3.7Å; I54-L58 HydrophobicContact CG2-CG 4.18Å; I54-L58 PolarHBondContact O-N 2.82Å; I54-I62 HydrophobicContact CB-CD1 3.97Å; I54-I62 HydrophobicContact CG2-CD1 3.6Å; I54-I199 HydrophobicContact CD1-CD1 4.07Å; I54-I199 HydrophobicContact CG1-CD1 3.96Å; I54-I199 HydrophobicContact CG1-CG2 4.18Å
55	E	96.9	Very high	93.7	Very high	47 Å²	47	48.4 Å²	48.4	22%	0.22	26%	0.259	C	S	.	.	H	α-helix	trans	-55.3	-43.3	176.7	-70.1	-173.7	130.1	0	0	111.7	I51 R52 N59 T60 S61 I62	I51-E55 HydrophobicContact CG2-CG 4.49Å; I51-E55 WeakPolarHBondContact O-CG 3.35Å; I51-E55 PolarHBondContact O-N 3.07Å; R52-E55 PolarHBondContact O-N 2.87Å; E55-N59 WeakPolarHBondContact O-CA 3.47Å; E55-N59 PolarHBondContact O-N 2.87Å; E55-T60 WeakPolarHBondContact CA-O 3.34Å; E55-T60 WeakPolarHBondContact CB-O 3.29Å; E55-T60 VanDerWaalsContact CG-O 3.3Å; E55-T60 WeakPolarHBondContact CG-O 3.37Å; E55-T60 PolarHBondContact O-N 3.14Å; E55-S61 WeakPolarHBondContact OE1-CA 3.44Å; E55-I62 HydrophobicContact CG-CB 4.02Å; E55-I62 HydrophobicContact CG-CD1 3.83Å; E55-I62 HydrophobicContact CG-CG1 3.83Å; E55-I62 PolarHBondContact OE1-N 3.13Å
56	K	96.3	Very high	95.5	Very high	134 Å²	134	50.6 Å²	50.6	58%	0.583	26%	0.257	S	S	*	.	H	α-helix	trans	-68	-43.7	174.6	-70.2	178.6	-179.6	-175.7	0	112.8	R52 R53 I54 L58	R52-K56 WeakPolarHBondContact O-CG 3.4Å; R52-K56 PolarHBondContact O-N 2.91Å; R53-K56 PolarHBondContact O-N 3.43Å; I54-K56 VanDerWaalsContact C-N 3.25Å; I54-K56 PolarHBondContact O-N 3.19Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 3.28Å
57	L	97.1	Very high	96.4	Very high	63 Å²	63	47 Å²	47	33%	0.33	24%	0.238	S	C	.	.	H	α-helix	trans	-61.3	-41.4	-178.4	179	66.9	0	0	0	111.6	R53 I54	R53-L57 VanDerWaalsContact O-CB 3.23Å; R53-L57 WeakPolarHBondContact O-CB 3.44Å; R53-L57 PolarHBondContact O-N 3.14Å; I54-L57 PolarHBondContact O-N 3.15Å; I54-L57 VanDerWaalsContact O-N 3.1Å
58	L	97.4	Very high	96.7	Very high	45 Å²	45	48.7 Å²	48.7	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-101.4	-1	-175.5	-59.4	-178.1	0	0	0	113.3	V20 I23 E24 I54 K56 T60	V20-L58 HydrophobicContact CG1-CD1 4.29Å; I23-L58 HydrophobicContact CB-CD1 3.85Å; I23-L58 HydrophobicContact CD1-CD1 3.9Å; I23-L58 HydrophobicContact CG1-CD1 4.49Å; I23-L58 HydrophobicContact CG2-CD1 3.72Å; E24-L58 HydrophobicContact CG-CD2 4.35Å; I54-L58 HydrophobicContact CG2-CD1 3.7Å; I54-L58 HydrophobicContact CG2-CG 4.18Å; I54-L58 PolarHBondContact O-N 2.82Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 3.28Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 HydrophobicContact CB-CG2 3.93Å; L58-T60 PolarHBondContact O-N 3.42Å
59	N	96.8	Very high	96.9	Very high	154 Å²	154	49 Å²	49	82%	0.824	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	50.4	-176.2	-170.6	46.9	0	0	0	112.7	E55	E55-N59 WeakPolarHBondContact O-CA 3.47Å; E55-N59 PolarHBondContact O-N 2.87Å
60	T	96	Very high	97	Very high	56 Å²	56	51 Å²	51	34%	0.344	26%	0.258	S	S	.	.			trans	-143.2	154.9	-179.3	-171	0	0	0	0	110.8	I23 E55 L58 I62	I23-T60 HydrophobicContact CD1-CG2 4.08Å; I23-T60 HydrophobicContact CG2-CG2 4.13Å; E55-T60 WeakPolarHBondContact CA-O 3.34Å; E55-T60 WeakPolarHBondContact CB-O 3.29Å; E55-T60 VanDerWaalsContact CG-O 3.3Å; E55-T60 WeakPolarHBondContact CG-O 3.37Å; E55-T60 PolarHBondContact O-N 3.14Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 HydrophobicContact CB-CG2 3.93Å; L58-T60 PolarHBondContact O-N 3.42Å; T60-I62 HydrophobicContact CG2-CG1 4.49Å
61	S	95.2	Very high	97.1	Very high	101 Å²	101	54.8 Å²	54.8	71%	0.706	28%	0.279	S	S	*	.			trans	-85.8	142.7	170.6	60.2	0	0	0	0	111.3	E55	E55-S61 WeakPolarHBondContact OE1-CA 3.44Å
62	I	97	Very high	97.1	Very high	11 Å²	11	59 Å²	59	6%	0.056	30%	0.295	C	S	.	.			trans	-119.6	126.4	176.6	-62	168.6	0	0	0	108.6	V19 I23 V31 I51 I54 E55 T60 F64	V19-I62 HydrophobicContact CG1-CD1 3.83Å; V19-I62 HydrophobicContact CG1-CG2 4.46Å; I23-I62 HydrophobicContact CD1-CD1 3.67Å; I23-I62 HydrophobicContact CD1-CG1 3.82Å; V31-I62 HydrophobicContact CG2-CG2 3.82Å; I51-I62 HydrophobicContact CG2-CB 3.83Å; I51-I62 HydrophobicContact CG2-CD1 4.04Å; I51-I62 HydrophobicContact CG2-CG2 3.83Å; I54-I62 HydrophobicContact CB-CD1 3.97Å; I54-I62 HydrophobicContact CG2-CD1 3.6Å; E55-I62 HydrophobicContact CG-CB 4.02Å; E55-I62 HydrophobicContact CG-CD1 3.83Å; E55-I62 HydrophobicContact CG-CG1 3.83Å; E55-I62 PolarHBondContact OE1-N 3.13Å; T60-I62 HydrophobicContact CG2-CG1 4.49Å; I62-F64 PolarHBondContact O-N 3.24Å
63	E	97.1	Very high	97.2	Very high	49 Å²	49	59.8 Å²	59.8	23%	0.229	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.1	175.1	-173.3	169.8	173.9	0	0	109.7	V30 V31 H65 K81 H82	V30-E63 HydrophobicContact CG1-CB 4.46Å; V30-E63 HydrophobicContact CG1-CG 4.2Å; V30-E63 HydrophobicContact CG2-CB 4.44Å; V31-E63 PolarHBondContact N-O 3.24Å; E63-H65 WeakPolarHBondContact CG-NE2 3.23Å; E63-H65 IonicContact OE1-CE1 3.74Å; E63-H65 PolarHBondContact OE1-CE1 3.21Å; E63-H65 IonicContact OE1-NE2 3.07Å; E63-H65 PolarHBondContact OE1-NE2 3.05Å; E63-K81 IonicContact OE1-NZ 3.07Å; E63-K81 PolarHBondContact OE1-NZ 2.82Å; E63-H82 VanDerWaalsContact CD-CE1 3.45Å; E63-H82 IonicContact OE1-CE1 3.89Å; E63-H82 PolarHBondContact OE1-CE1 2.89Å; E63-H82 IonicContact OE1-NE2 3.16Å; E63-H82 PolarHBondContact OE1-NE2 2.91Å; E63-H82 VanDerWaalsContact OE1-NE2 3.07Å; E63-H82 IonicContact OE2-CE1 3.85Å; E63-H82 PolarHBondContact OE2-CE1 2.85Å; E63-H82 IonicContact OE2-NE2 3.75Å
64	F	97.6	Very high	97.3	Very high	27 Å²	27	59.9 Å²	59.9	12%	0.118	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.4	-177.7	178.8	-89	0	0	0	110.5	A11 V31 D33 Y35 V47 A48 I51 I62 E66	A11-F64 HydrophobicContact CB-CE2 4.16Å; V31-F64 HydrophobicContact CB-CD2 3.95Å; V31-F64 HydrophobicContact CG1-CD2 3.62Å; V31-F64 HydrophobicContact CG1-CE2 3.9Å; V31-F64 CarbonylContact O-C 3.6Å; V31-F64 WeakPolarHBondContact O-CA 3.45Å; D33-F64 HydrophobicContact CB-CE2 3.94Å; D33-F64 HydrophobicContact CB-CZ 4.03Å; Y35-F64 HydrophobicContact CE1-CZ 4.17Å; Y35-F64 AromaticContact CE2-CE1 3.92Å; Y35-F64 HydrophobicContact CE2-CE1 3.92Å; Y35-F64 AromaticContact CE2-CZ 3.89Å; Y35-F64 HydrophobicContact CE2-CZ 3.89Å; Y35-F64 AromaticContact CZ-CE1 3.64Å; Y35-F64 AromaticContact CZ-CZ 3.51Å; Y35-F64 WeakPolarHBondContact OH-CE1 3.45Å; Y35-F64 VanDerWaalsContact OH-CZ 3.3Å; Y35-F64 WeakPolarHBondContact OH-CZ 3.48Å; V47-F64 HydrophobicContact CG2-CB 4.01Å; V47-F64 HydrophobicContact CG2-CD1 4.23Å; V47-F64 HydrophobicContact CG2-CG 4.3Å; A48-F64 HydrophobicContact CB-CE2 4.12Å; A48-F64 HydrophobicContact CB-CZ 4.32Å; I51-F64 HydrophobicContact CG1-CD2 4.09Å; I51-F64 HydrophobicContact CG1-CE2 4.47Å; I62-F64 PolarHBondContact O-N 3.24Å; F64-E66 HydrophobicContact CE1-CB 4.39Å
65	H	97.3	Very high	97.3	Very high	47 Å²	47	59.9 Å²	59.9	22%	0.218	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.7	172.9	-56.7	-102.2	0	0	0	110.3	V31 V32 D33 E63 L67 L78	V31-H65 PolarHBondContact O-N 3.13Å; V32-H65 VanDerWaalsContact CA-O 3.32Å; V32-H65 WeakPolarHBondContact CA-O 3.3Å; V32-H65 HydrophobicContact CG1-CB 4.16Å; D33-H65 PolarHBondContact N-O 2.89Å; E63-H65 WeakPolarHBondContact CG-NE2 3.23Å; E63-H65 IonicContact OE1-CE1 3.74Å; E63-H65 PolarHBondContact OE1-CE1 3.21Å; E63-H65 IonicContact OE1-NE2 3.07Å; E63-H65 PolarHBondContact OE1-NE2 3.05Å; H65-L67 PolarHBondContact O-N 3.46Å; H65-L78 WeakPolarHBondContact NE2-CD1 3.39Å
66	E	96.6	Very high	97.4	Very high	92 Å²	92	60.3 Å²	60.3	43%	0.43	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	108.1	164.5	-176.9	178.9	166	0	0	109	D33 Y35 R40 F64	D33-E66 CarbonylContact O-C 3.56Å; D33-E66 VanDerWaalsContact O-CA 3.25Å; D33-E66 WeakPolarHBondContact O-CA 3.38Å; Y35-E66 HydrophobicContact CD2-CG 3.9Å; Y35-E66 HydrophobicContact CE2-CB 4.03Å; Y35-E66 HydrophobicContact CE2-CG 3.83Å; R40-E66 IonicContact CZ-OE1 3.94Å; R40-E66 IonicContact CZ-OE2 2.93Å; R40-E66 IonicContact NH1-OE1 2.84Å; R40-E66 IonicContact NH1-OE2 3.76Å; R40-E66 PolarHBondContact NH1-OE2 2.88Å; R40-E66 IonicContact NH2-OE1 3.22Å; R40-E66 PolarHBondContact NH2-OE1 3.46Å; R40-E66 IonicContact NH2-OE2 3.68Å; R40-E66 PolarHBondContact NH2-OE2 3.07Å; R40-E66 VanDerWaalsContact NH2-OE2 3.09Å; F64-E66 HydrophobicContact CE1-CB 4.39Å
67	L	96.8	Very high	97.5	Very high	18 Å²	18	61.6 Å²	61.6	9%	0.094	32%	0.324	C	S	.	.			trans	-153.3	128.3	-173.4	-173.8	148.8	0	0	0	110.8	V32 D33 H65 L69 A74 L75	V32-L67 HydrophobicContact CB-CB 4.33Å; D33-L67 CarbonylContact C-O 3Å; D33-L67 PolarHBondContact O-N 3.06Å; H65-L67 PolarHBondContact O-N 3.46Å; L67-L69 HydrophobicContact CD2-CD2 3.86Å; L67-A74 HydrophobicContact CD1-CB 3.75Å; L67-A74 HydrophobicContact CG-CB 4.18Å; L67-L75 HydrophobicContact CD2-CB 4.41Å; L67-L75 HydrophobicContact CD2-CD1 4.09Å
68	D	97.9	Very high	97.5	Very high	60 Å²	60	58.9 Å²	58.9	32%	0.321	31%	0.31	S	S	.	.			trans	-89.1	129.8	167.6	-163.5	-47.8	0	0	0	109.4	N34 L70 D71	N34-D68 HydrophobicContact CB-CB 4.14Å; N34-D68 PolarHBondContact ND2-OD2 3.08Å; D68-L70 PolarHBondContact O-N 3.11Å; D68-L70 VanDerWaalsContact O-N 3.15Å; D68-L70 VanDerWaalsContact OD1-CB 3.29Å; D68-L70 WeakPolarHBondContact OD1-CB 3.13Å; D68-L70 WeakPolarHBondContact OD1-CG 3.47Å; D68-L70 PolarHBondContact OD1-N 3.27Å; D68-D71 WeakPolarHBondContact O-CB 3.12Å; D68-D71 PolarHBondContact O-N 3.2Å
69	L	98.2	Very high	97.6	Very high	7 Å²	7	57 Å²	57	4%	0.037	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.8	179.1	-61.6	-175.5	0	0	0	113.1	T8 V32 L67 D71 L75 A91 A113 N116 L117	T8-L69 HydrophobicContact CG2-CD1 4.19Å; T8-L69 HydrophobicContact CG2-CD2 4.21Å; V32-L69 HydrophobicContact CG2-CD2 4.24Å; L67-L69 HydrophobicContact CD2-CD2 3.86Å; L69-D71 VanDerWaalsContact C-N 3.27Å; L69-L75 HydrophobicContact CD2-CD1 3.82Å; L69-L75 HydrophobicContact CD2-CD2 4.19Å; L69-A91 HydrophobicContact CD1-CB 3.7Å; L69-A91 HydrophobicContact CG-CB 4.42Å; L69-A113 HydrophobicContact CB-CB 3.68Å; L69-A113 HydrophobicContact CD1-CB 4.18Å; L69-N116 WeakPolarHBondContact O-CB 3.22Å; L69-N116 PolarHBondContact O-ND2 3.27Å; L69-L117 HydrophobicContact CD1-CD2 4.5Å
70	L	98.1	Very high	97.7	Very high	52 Å²	52	56.8 Å²	56.8	27%	0.272	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.1	168.8	-61.3	179.6	0	0	0	112.4	D68 R72 T112 A113	D68-L70 PolarHBondContact O-N 3.11Å; D68-L70 VanDerWaalsContact O-N 3.15Å; D68-L70 VanDerWaalsContact OD1-CB 3.29Å; D68-L70 WeakPolarHBondContact OD1-CB 3.13Å; D68-L70 WeakPolarHBondContact OD1-CG 3.47Å; D68-L70 PolarHBondContact OD1-N 3.27Å; L70-R72 VanDerWaalsContact C-N 3.33Å; L70-R72 PolarHBondContact O-N 3.25Å; L70-R72 VanDerWaalsContact O-N 3.14Å; L70-T112 HydrophobicContact CD2-CG2 3.87Å; L70-A113 HydrophobicContact CD2-CB 4.37Å
71	D	98.3	Very high	97.7	Very high	82 Å²	82	60.3 Å²	60.3	44%	0.439	30%	0.302	S	S	.	.			trans	-83.5	78.5	169.3	-170.3	-19.2	0	0	0	109.9	D68 L69 P73 A74 L75	D68-D71 WeakPolarHBondContact O-CB 3.12Å; D68-D71 PolarHBondContact O-N 3.2Å; L69-D71 VanDerWaalsContact C-N 3.27Å; D71-P73 VanDerWaalsContact OD1-CD 3.25Å; D71-P73 WeakPolarHBondContact OD1-CD 3.4Å; D71-A74 HydrophobicContact CB-CB 4.03Å; D71-A74 PolarHBondContact O-N 3.05Å; D71-A74 WeakPolarHBondContact OD1-CB 3.45Å; D71-A74 PolarHBondContact OD1-N 3.23Å; D71-L75 PolarHBondContact O-N 3.29Å
72	R	97.7	Very high	97.8	Very high	89 Å²	89	56.2 Å²	56.2	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-54.9	-45.1	177.6	177.3	-176.3	-179.5	149.3	13.6	112.8	L70 A74 L75 E76 E119 V120	L70-R72 VanDerWaalsContact C-N 3.33Å; L70-R72 PolarHBondContact O-N 3.25Å; L70-R72 VanDerWaalsContact O-N 3.14Å; R72-A74 VanDerWaalsContact C-N 3.34Å; R72-A74 PolarHBondContact O-N 2.88Å; R72-L75 WeakPolarHBondContact O-CB 3.38Å; R72-L75 PolarHBondContact O-N 3.19Å; R72-L75 VanDerWaalsContact O-N 3.15Å; R72-E76 HydrophobicContact CG-CG 4.35Å; R72-E76 IonicContact NE-OE1 2.67Å; R72-E76 PolarHBondContact NE-OE1 2.87Å; R72-E76 WeakPolarHBondContact O-CG 3.48Å; R72-E76 PolarHBondContact O-N 3.48Å; R72-E119 IonicContact CZ-OE2 3.53Å; R72-E119 IonicContact NH1-OE2 3.82Å; R72-E119 PolarHBondContact NH1-OE2 3.37Å; R72-E119 IonicContact NH2-OE2 3.68Å; R72-E119 PolarHBondContact NH2-OE2 3.12Å; R72-V120 HydrophobicContact CG-CG2 4.17Å
73	P	98.4	Very high	97.8	Very high	95 Å²	95	61 Å²	61	62%	0.617	31%	0.307	S	S	*	.	H	α-helix	trans	-56.3	-42.5	175.5	-28.1	35.4	0	0	0	114.3	D71 K77	D71-P73 VanDerWaalsContact OD1-CD 3.25Å; D71-P73 WeakPolarHBondContact OD1-CD 3.4Å; P73-K77 PolarHBondContact O-N 3.32Å
74	A	98.1	Very high	97.9	Very high	29 Å²	29	59.4 Å²	59.4	24%	0.24	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-41.1	175.4	0	0	0	0	0	111.6	L67 D71 R72 K77 L78	L67-A74 HydrophobicContact CD1-CB 3.75Å; L67-A74 HydrophobicContact CG-CB 4.18Å; D71-A74 HydrophobicContact CB-CB 4.03Å; D71-A74 PolarHBondContact O-N 3.05Å; D71-A74 WeakPolarHBondContact OD1-CB 3.45Å; D71-A74 PolarHBondContact OD1-N 3.23Å; R72-A74 VanDerWaalsContact C-N 3.34Å; R72-A74 PolarHBondContact O-N 2.88Å; A74-K77 WeakPolarHBondContact O-CB 3.15Å; A74-K77 PolarHBondContact O-N 3.1Å; A74-L78 PolarHBondContact O-N 2.68Å
75	L	98.4	Very high	97.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-45.7	176.9	-171.6	60	0	0	0	111.7	L67 L69 D71 R72 K77 L78 F79 L117 V120	L67-L75 HydrophobicContact CD2-CB 4.41Å; L67-L75 HydrophobicContact CD2-CD1 4.09Å; L69-L75 HydrophobicContact CD2-CD1 3.82Å; L69-L75 HydrophobicContact CD2-CD2 4.19Å; D71-L75 PolarHBondContact O-N 3.29Å; R72-L75 WeakPolarHBondContact O-CB 3.38Å; R72-L75 PolarHBondContact O-N 3.19Å; R72-L75 VanDerWaalsContact O-N 3.15Å; L75-K77 VanDerWaalsContact C-N 3.3Å; L75-K77 PolarHBondContact O-N 3.47Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 PolarHBondContact O-N 2.85Å; L75-L78 VanDerWaalsContact O-N 3.12Å; L75-F79 HydrophobicContact CD1-CD2 4.04Å; L75-F79 HydrophobicContact CD1-CE2 3.76Å; L75-F79 HydrophobicContact CG-CD2 4.21Å; L75-F79 HydrophobicContact CG-CE2 4.14Å; L75-F79 WeakPolarHBondContact O-CD2 3.48Å; L75-F79 PolarHBondContact O-N 2.93Å; L75-L117 HydrophobicContact CD2-CB 4.47Å; L75-L117 HydrophobicContact CD2-CD1 4.28Å; L75-V120 HydrophobicContact CD2-CB 4.24Å; L75-V120 HydrophobicContact CD2-CG2 4.11Å; L75-V120 HydrophobicContact CG-CB 4.34Å; L75-V120 HydrophobicContact CG-CG1 4.19Å; L75-V120 HydrophobicContact CG-CG2 4.29Å
76	E	98.4	Very high	98	Very high	56 Å²	56	57.7 Å²	57.7	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-40.2	174.6	-74.4	179.4	-166.5	0	0	112	R72 L78 F79 K80 V120	R72-E76 HydrophobicContact CG-CG 4.35Å; R72-E76 IonicContact NE-OE1 2.67Å; R72-E76 PolarHBondContact NE-OE1 2.87Å; R72-E76 WeakPolarHBondContact O-CG 3.48Å; R72-E76 PolarHBondContact O-N 3.48Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 3.37Å; E76-F79 PolarHBondContact O-N 3.22Å; E76-K80 VanDerWaalsContact O-CG 3.3Å; E76-K80 WeakPolarHBondContact O-CG 3.13Å; E76-K80 PolarHBondContact O-N 3.47Å; E76-V120 HydrophobicContact CG-CG1 4.21Å; E76-V120 HydrophobicContact CG-CG2 3.67Å
77	K	98.5	Very high	98.1	Very high	160 Å²	160	53.3 Å²	53.3	70%	0.696	28%	0.275	S	S	*	.	H	α-helix	trans	-61.4	-39.2	175.8	-175.4	-178.2	176.9	-175.2	0	111.7	P73 A74 L75 K80 K81	P73-K77 PolarHBondContact O-N 3.32Å; A74-K77 WeakPolarHBondContact O-CB 3.15Å; A74-K77 PolarHBondContact O-N 3.1Å; L75-K77 VanDerWaalsContact C-N 3.3Å; L75-K77 PolarHBondContact O-N 3.47Å; K77-K80 PolarHBondContact O-N 2.79Å; K77-K81 PolarHBondContact O-N 3.24Å
78	L	98.4	Very high	98.2	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-47.2	175.9	-176	68.9	0	0	0	111.4	L6 V30 V32 H65 A74 L75 E76 K80 K81 H82 F84	L6-L78 HydrophobicContact CD1-CD2 3.83Å; V30-L78 HydrophobicContact CG1-CD1 4.32Å; V32-L78 HydrophobicContact CG1-CD2 3.39Å; H65-L78 WeakPolarHBondContact NE2-CD1 3.39Å; A74-L78 PolarHBondContact O-N 2.68Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 PolarHBondContact O-N 2.85Å; L75-L78 VanDerWaalsContact O-N 3.12Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 3.37Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 2.61Å; L78-K81 WeakPolarHBondContact O-CB 3.35Å; L78-K81 PolarHBondContact O-N 2.8Å; L78-H82 PolarHBondContact O-CD2 2.83Å; L78-H82 VanDerWaalsContact O-CD2 3.27Å; L78-H82 PolarHBondContact O-N 2.86Å; L78-F84 HydrophobicContact CG-CE2 4.43Å; L78-F84 HydrophobicContact CG-CZ 4.33Å
79	F	98.6	Very high	98.2	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.022	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-24.8	177.4	-85.7	-103.4	0	0	0	113.4	L6 L75 E76 F84 V87 L117 V120 M121 H124 V126	L6-F79 HydrophobicContact CD2-CE2 3.42Å; L6-F79 VanDerWaalsContact CD2-CE2 3.42Å; L6-F79 HydrophobicContact CD2-CZ 3.53Å; L75-F79 HydrophobicContact CD1-CD2 4.04Å; L75-F79 HydrophobicContact CD1-CE2 3.76Å; L75-F79 HydrophobicContact CG-CD2 4.21Å; L75-F79 HydrophobicContact CG-CE2 4.14Å; L75-F79 WeakPolarHBondContact O-CD2 3.48Å; L75-F79 PolarHBondContact O-N 2.93Å; E76-F79 PolarHBondContact O-N 3.22Å; F79-F84 AromaticContact CD1-CD2 3.91Å; F79-F84 HydrophobicContact CD1-CD2 3.91Å; F79-F84 HydrophobicContact CD1-CE2 4.36Å; F79-F84 HydrophobicContact CD2-CE2 4.32Å; F79-F84 AromaticContact CE1-CD2 3.88Å; F79-F84 HydrophobicContact CE1-CD2 3.88Å; F79-F84 HydrophobicContact CE1-CE2 4.49Å; F79-F84 HydrophobicContact CE2-CE2 4.47Å; F79-F84 HydrophobicContact CG-CD2 4.29Å; F79-F84 HydrophobicContact CG-CE2 4.28Å; F79-F84 HydrophobicContact CZ-CD2 4.25Å; F79-V87 HydrophobicContact CZ-CG2 4.15Å; F79-L117 HydrophobicContact CE2-CD1 4.15Å; F79-L117 HydrophobicContact CZ-CD1 4.07Å; F79-V120 HydrophobicContact CB-CG1 3.83Å; F79-V120 HydrophobicContact CD1-CG1 4.15Å; F79-V120 HydrophobicContact CD2-CG1 3.5Å; F79-V120 HydrophobicContact CE2-CG1 4.01Å; F79-V120 HydrophobicContact CG-CG1 3.57Å; F79-M121 HydrophobicContact CE1-CB 4.45Å; F79-M121 HydrophobicContact CE1-CG 3.76Å; F79-M121 HydrophobicContact CZ-CG 3.67Å; F79-H124 HydrophobicContact CB-CB 4.15Å; F79-H124 HydrophobicContact CD1-CB 3.83Å; F79-H124 HydrophobicContact CG-CB 4.44Å; F79-H124 PolarHBondContact O-ND1 2.74Å; F79-V126 HydrophobicContact CD1-CG2 4.08Å; F79-V126 HydrophobicContact CE1-CB 4.14Å; F79-V126 HydrophobicContact CE1-CG1 4.45Å; F79-V126 HydrophobicContact CE1-CG2 3.93Å
80	K	98.1	Very high	98.2	Very high	149 Å²	149	50.8 Å²	50.8	65%	0.648	26%	0.26	S	S	*	.	H	α-helix	trans	-70.2	-31.5	169.2	-73.9	171.5	-174.1	167.7	0	112.8	E76 K77 L78 H124	E76-K80 VanDerWaalsContact O-CG 3.3Å; E76-K80 WeakPolarHBondContact O-CG 3.13Å; E76-K80 PolarHBondContact O-N 3.47Å; K77-K80 PolarHBondContact O-N 2.79Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 2.61Å; K80-H124 VanDerWaalsContact CG-CE1 3.47Å; K80-H124 WeakPolarHBondContact CG-CE1 3.38Å
81	K	97.7	Very high	98.3	Very high	130 Å²	130	49.5 Å²	49.5	57%	0.565	26%	0.257	S	S	*	.	H	α-helix	trans	-78.8	-24.9	-177.9	-175.8	-177	172.3	-157.8	0	112.7	E63 K77 L78	E63-K81 IonicContact OE1-NZ 3.07Å; E63-K81 PolarHBondContact OE1-NZ 2.82Å; K77-K81 PolarHBondContact O-N 3.24Å; L78-K81 WeakPolarHBondContact O-CB 3.35Å; L78-K81 PolarHBondContact O-N 2.8Å
82	H	97.4	Very high	98.2	Very high	15 Å²	15	47.1 Å²	47.1	7%	0.069	25%	0.252	C	S	.	.			trans	-130.1	149	-170.7	-58.7	-67.8	0	0	0	112.8	E63 L78 F84	E63-H82 VanDerWaalsContact CD-CE1 3.45Å; E63-H82 IonicContact OE1-CE1 3.89Å; E63-H82 PolarHBondContact OE1-CE1 2.89Å; E63-H82 IonicContact OE1-NE2 3.16Å; E63-H82 PolarHBondContact OE1-NE2 2.91Å; E63-H82 VanDerWaalsContact OE1-NE2 3.07Å; E63-H82 IonicContact OE2-CE1 3.85Å; E63-H82 PolarHBondContact OE2-CE1 2.85Å; E63-H82 IonicContact OE2-NE2 3.75Å; L78-H82 PolarHBondContact O-CD2 2.83Å; L78-H82 VanDerWaalsContact O-CD2 3.27Å; L78-H82 PolarHBondContact O-N 2.86Å; H82-F84 HydrophobicContact CB-CD1 4.3Å; H82-F84 HydrophobicContact CB-CD2 4.22Å; H82-F84 HydrophobicContact CB-CE1 3.78Å; H82-F84 HydrophobicContact CB-CE2 3.7Å; H82-F84 HydrophobicContact CB-CG 4.5Å; H82-F84 HydrophobicContact CB-CZ 3.46Å; H82-F84 VanDerWaalsContact CB-CZ 3.46Å; H82-F84 AromaticContact CD2-CZ 3.73Å; H82-F84 AromaticContact CG-CZ 3.77Å
83	S	95.9	Very high	98.2	Very high	113 Å²	113	43.8 Å²	43.8	79%	0.79	24%	0.241	S	C	*	.			trans	-102.5	99.6	165.6	-54	0	0	0	0	108.3
84	F	98.6	Very high	98	Very high	14 Å²	14	43.2 Å²	43.2	6%	0.061	23%	0.229	C	C	.	.			trans	-84.1	138	178.8	-63.9	-61.7	0	0	0	110.8	K4 L6 V30 L78 F79 H82 V126	K4-F84 HydrophobicContact CB-CD1 4.02Å; K4-F84 HydrophobicContact CB-CE1 4.49Å; K4-F84 WeakPolarHBondContact O-CA 3.44Å; L6-F84 HydrophobicContact CB-CD1 3.92Å; L6-F84 HydrophobicContact CB-CD2 4.26Å; L6-F84 HydrophobicContact CB-CE1 3.92Å; L6-F84 HydrophobicContact CB-CE2 4.23Å; L6-F84 HydrophobicContact CB-CG 4.1Å; L6-F84 HydrophobicContact CB-CZ 4.06Å; L6-F84 HydrophobicContact CD1-CZ 4.15Å; L6-F84 HydrophobicContact CD2-CE2 4.4Å; V30-F84 HydrophobicContact CB-CE1 3.74Å; V30-F84 HydrophobicContact CB-CZ 4.16Å; V30-F84 HydrophobicContact CG1-CE1 4.32Å; V30-F84 HydrophobicContact CG1-CZ 4.24Å; V30-F84 HydrophobicContact CG2-CE1 3.74Å; V30-F84 HydrophobicContact CG2-CZ 4.37Å; L78-F84 HydrophobicContact CG-CE2 4.43Å; L78-F84 HydrophobicContact CG-CZ 4.33Å; F79-F84 AromaticContact CD1-CD2 3.91Å; F79-F84 HydrophobicContact CD1-CD2 3.91Å; F79-F84 HydrophobicContact CD1-CE2 4.36Å; F79-F84 HydrophobicContact CD2-CE2 4.32Å; F79-F84 AromaticContact CE1-CD2 3.88Å; F79-F84 HydrophobicContact CE1-CD2 3.88Å; F79-F84 HydrophobicContact CE1-CE2 4.49Å; F79-F84 HydrophobicContact CE2-CE2 4.47Å; F79-F84 HydrophobicContact CG-CD2 4.29Å; F79-F84 HydrophobicContact CG-CE2 4.28Å; F79-F84 HydrophobicContact CZ-CD2 4.25Å; H82-F84 HydrophobicContact CB-CD1 4.3Å; H82-F84 HydrophobicContact CB-CD2 4.22Å; H82-F84 HydrophobicContact CB-CE1 3.78Å; H82-F84 HydrophobicContact CB-CE2 3.7Å; H82-F84 HydrophobicContact CB-CG 4.5Å; H82-F84 HydrophobicContact CB-CZ 3.46Å; H82-F84 VanDerWaalsContact CB-CZ 3.46Å; H82-F84 AromaticContact CD2-CZ 3.73Å; H82-F84 AromaticContact CG-CZ 3.77Å; F84-V126 HydrophobicContact CB-CG1 4.05Å; F84-V126 HydrophobicContact CB-CG2 4.16Å
85	S	98.2	Very high	97.6	Very high	34 Å²	34	42.4 Å²	42.4	24%	0.238	22%	0.222	C	C	.	.	S	Bend	trans	-84.6	-28.5	170.9	61.2	0	0	0	0	112.1	K4 N128	K4-S85 PolarHBondContact O-N 3.18Å; K4-S85 PolarHBondContact O-OG 2.81Å; S85-N128 VanDerWaalsContact O-CB 3.32Å; S85-N128 WeakPolarHBondContact O-CB 3.45Å; S85-N128 PolarHBondContact O-ND2 3.06Å
86	A	98.7	Very high	97.2	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	166.5	178.3	0	0	0	0	0	112	V5 L6 N128 L257 L260	V5-A86 WeakPolarHBondContact CA-O 3.47Å; L6-A86 PolarHBondContact N-O 2.91Å; A86-N128 CarbonylContact C-O 3.52Å; A86-N128 VanDerWaalsContact CA-O 3.31Å; A86-N128 WeakPolarHBondContact CA-O 3.48Å; A86-N128 HydrophobicContact CB-CB 3.75Å; A86-L257 HydrophobicContact CB-CD2 3.59Å; A86-L260 HydrophobicContact CB-CD1 4.49Å
87	V	98.9	Very high	96.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.1	171.8	-176.6	0	0	0	0	110	L6 T8 F79 L117 M121 V126 N128 L129 V130	L6-V87 HydrophobicContact CB-CB 4.45Å; L6-V87 HydrophobicContact CB-CG1 4.22Å; L6-V87 HydrophobicContact CB-CG2 4.06Å; L6-V87 HydrophobicContact CD2-CG1 4.05Å; L6-V87 HydrophobicContact CD2-CG2 4.12Å; L6-V87 HydrophobicContact CG-CG1 4.18Å; L6-V87 CarbonylContact O-C 3.55Å; L6-V87 WeakPolarHBondContact O-CA 3.25Å; T8-V87 HydrophobicContact CG2-CG1 4.18Å; F79-V87 HydrophobicContact CZ-CG2 4.15Å; V87-L117 HydrophobicContact CG1-CD1 4.28Å; V87-L117 HydrophobicContact CG1-CD2 4.05Å; V87-M121 HydrophobicContact CB-CE 3.99Å; V87-M121 HydrophobicContact CB-SD 3.89Å; V87-M121 HydrophobicContact CG1-SD 4.35Å; V87-M121 HydrophobicContact CG2-CE 3.66Å; V87-M121 HydrophobicContact CG2-CG 3.89Å; V87-M121 HydrophobicContact CG2-SD 3.54Å; V87-M121 VanDerWaalsContact CG2-SD 3.54Å; V87-V126 HydrophobicContact CG2-CG1 4.1Å; V87-N128 PolarHBondContact N-O 3.35Å; V87-L129 HydrophobicContact CB-CD1 4.15Å; V87-L129 HydrophobicContact CG1-CD1 4.3Å; V87-V130 PolarHBondContact O-N 2.82Å
88	M	98.9	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.6	162.7	-63.9	-170.7	176.8	0	0	109.5	V5 L6 T8 C18 L22 F90 V130 H253 I254 L257	V5-M88 HydrophobicContact CG1-CG 3.96Å; L6-M88 PolarHBondContact O-N 3.33Å; T8-M88 PolarHBondContact N-O 3.26Å; C18-M88 HydrophobicContact CB-SD 4.27Å; L22-M88 HydrophobicContact CD1-CE 4.17Å; L22-M88 HydrophobicContact CD1-SD 3.97Å; L22-M88 HydrophobicContact CD2-CE 3.78Å; L22-M88 HydrophobicContact CG-CE 4.07Å; L22-M88 HydrophobicContact CG-SD 4.44Å; M88-F90 HydrophobicContact CB-CD2 4.28Å; M88-F90 HydrophobicContact CB-CE2 3.56Å; M88-F90 HydrophobicContact CB-CZ 4.21Å; M88-F90 HydrophobicContact CG-CE2 4.47Å; M88-F90 HydrophobicContact SD-CE2 4.11Å; M88-F90 HydrophobicContact SD-CZ 4.21Å; M88-V130 HydrophobicContact CG-CB 4.22Å; M88-H253 HydrophobicContact CE-CB 3.6Å; M88-H253 HydrophobicContact SD-CB 3.98Å; M88-I254 HydrophobicContact CE-CD1 4.35Å; M88-L257 HydrophobicContact CE-CD1 3.31Å; M88-L257 HydrophobicContact CE-CD2 4.17Å; M88-L257 HydrophobicContact CE-CG 3.48Å; M88-L257 VanDerWaalsContact CE-CG 3.48Å
89	H	98.9	Very high	96.1	Very high	7 Å²	7	37 Å²	37	3%	0.032	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	100.5	-173.6	-174.4	36.9	0	0	0	111.5	T8 A91 S114 L117 L129 V130 F131 S132	T8-H89 PolarHBondContact OG1-ND1 3.04Å; H89-A91 PolarHBondContact CE1-O 3.42Å; H89-A91 VanDerWaalsContact CE1-O 3.24Å; H89-S114 PolarHBondContact NE2-OG 3.01Å; H89-L117 HydrophobicContact CB-CD2 3.94Å; H89-L117 WeakPolarHBondContact ND1-CD2 3.4Å; H89-L129 HydrophobicContact CB-CD1 3.99Å; H89-V130 PolarHBondContact N-O 3.11Å; H89-F131 HydrophobicContact CB-CD2 4.34Å; H89-F131 AromaticContact CD2-CD2 3.68Å; H89-F131 AromaticContact CD2-CE2 3.72Å; H89-S132 WeakPolarHBondContact O-CB 3.47Å; H89-S132 PolarHBondContact O-N 2.62Å; H89-S132 PolarHBondContact O-OG 2.76Å
90	F	98.8	Very high	95.8	Very high	26 Å²	26	39.4 Å²	39.4	11%	0.114	22%	0.223	C	C	.	.			trans	-104.9	-24.8	173.2	-54.2	-88.3	0	0	0	113.4	V7 T8 I14 C18 M88 G92 S132 H253	V7-F90 HydrophobicContact CG1-CD2 3.85Å; V7-F90 HydrophobicContact CG1-CE2 3.79Å; T8-F90 CarbonylContact O-C 3.45Å; T8-F90 WeakPolarHBondContact O-CA 3.49Å; T8-F90 WeakPolarHBondContact O-CB 3.48Å; T8-F90 WeakPolarHBondContact O-CD2 3.43Å; T8-F90 PolarHBondContact O-N 3.34Å; T8-F90 PolarHBondContact OG1-N 2.87Å; I14-F90 HydrophobicContact CB-CD1 4.29Å; I14-F90 HydrophobicContact CB-CE1 4.32Å; I14-F90 HydrophobicContact CG2-CD1 4.14Å; I14-F90 HydrophobicContact CG2-CE1 3.7Å; C18-F90 HydrophobicContact CB-CE2 4.16Å; C18-F90 HydrophobicContact CB-CZ 3.83Å; C18-F90 WeakPolarHBondContact SG-CZ 3.38Å; M88-F90 HydrophobicContact CB-CD2 4.28Å; M88-F90 HydrophobicContact CB-CE2 3.56Å; M88-F90 HydrophobicContact CB-CZ 4.21Å; M88-F90 HydrophobicContact CG-CE2 4.47Å; M88-F90 HydrophobicContact SD-CE2 4.11Å; M88-F90 HydrophobicContact SD-CZ 4.21Å; F90-G92 PolarHBondContact O-N 2.97Å; F90-S132 WeakPolarHBondContact CD1-OG 3.34Å; F90-S132 WeakPolarHBondContact CE1-OG 3.25Å; F90-H253 AromaticContact CE1-CD2 3.74Å; F90-H253 AromaticContact CE1-CE1 3.84Å; F90-H253 AromaticContact CE1-NE2 3.09Å; F90-H253 WeakPolarHBondContact CE1-NE2 3.49Å; F90-H253 AromaticContact CZ-CD2 3.36Å; F90-H253 WeakPolarHBondContact CZ-CD2 3.25Å; F90-H253 AromaticContact CZ-NE2 3.25Å; F90-H253 VanDerWaalsContact CZ-NE2 3.25Å; F90-H253 WeakPolarHBondContact CZ-NE2 3.42Å
91	A	98.4	Very high	95.6	Very high	25 Å²	25	39.7 Å²	39.7	21%	0.207	23%	0.227	C	C	.	.			trans	-55.4	125	-175.6	0	0	0	0	0	111.9	T8 L69 H89	T8-A91 PolarHBondContact O-N 3.48Å; T8-A91 VanDerWaalsContact O-N 3.11Å; T8-A91 VanDerWaalsContact OG1-CB 3.25Å; T8-A91 WeakPolarHBondContact OG1-CB 3.4Å; T8-A91 PolarHBondContact OG1-N 3.42Å; L69-A91 HydrophobicContact CD1-CB 3.7Å; L69-A91 HydrophobicContact CG-CB 4.42Å; H89-A91 PolarHBondContact CE1-O 3.42Å; H89-A91 VanDerWaalsContact CE1-O 3.24Å
92	G	97.3	Very high	95.5	Very high	32 Å²	32	37.1 Å²	37.1	33%	0.33	22%	0.216	S	C	.	.	S	Bend	trans	161.3	158.6	178.8	0	0	0	0	0	111.6	F90 N110	F90-G92 PolarHBondContact O-N 2.97Å; G92-N110 VanDerWaalsContact CA-OD1 3.3Å; G92-N110 WeakPolarHBondContact CA-OD1 3.45Å
93	L	96.6	Very high	95.4	Very high	19 Å²	19	38.6 Å²	38.6	10%	0.099	23%	0.227	C	C	.	.			trans	-76.5	143.3	172.2	-57.5	178.6	0	0	0	109.8	R105 Y106 V109 N110 Y159	L93-R105 HydrophobicContact CD1-CG 3.8Å; L93-Y106 HydrophobicContact CB-CD1 3.8Å; L93-Y106 HydrophobicContact CB-CD2 4.37Å; L93-Y106 HydrophobicContact CB-CE1 3.43Å; L93-Y106 VanDerWaalsContact CB-CE1 3.43Å; L93-Y106 HydrophobicContact CB-CE2 4.03Å; L93-Y106 HydrophobicContact CB-CG 4.26Å; L93-Y106 HydrophobicContact CD1-CD2 4.02Å; L93-Y106 HydrophobicContact CD1-CE2 3.97Å; L93-Y106 HydrophobicContact CD1-CG 4.41Å; L93-V109 HydrophobicContact CD1-CB 4.15Å; L93-V109 HydrophobicContact CD1-CG2 4.05Å; L93-V109 HydrophobicContact CG-CB 4.19Å; L93-V109 HydrophobicContact CG-CG1 4.03Å; L93-V109 HydrophobicContact CG-CG2 4.42Å; L93-N110 PolarHBondContact N-OD1 2.98Å; L93-N110 PolarHBondContact O-ND2 2.98Å; L93-Y159 VanDerWaalsContact O-CD2 3.26Å; L93-Y159 WeakPolarHBondContact O-CD2 3.33Å; L93-Y159 WeakPolarHBondContact O-CE2 3.37Å
94	K	94.3	Very high	95.6	Very high	82 Å²	82	39.9 Å²	39.9	36%	0.357	23%	0.225	S	C	.	.			trans	-129.7	-6.7	-168.3	69.6	158.4	-178.8	157.1	0	117.2	V96 Y159 E201 N209	K94-V96 PolarHBondContact O-N 3.4Å; K94-Y159 HydrophobicContact CB-CE2 4.07Å; K94-E201 IonicContact NZ-OE1 2.67Å; K94-E201 PolarHBondContact NZ-OE1 3.38Å; K94-N209 PolarHBondContact NZ-ND2 3.46Å
95	A	90.8	Very high	95.5	Very high	12 Å²	12	44.4 Å²	44.4	10%	0.099	24%	0.241	C	C	.	.			trans	-84.5	115.2	-173.5	0	0	0	0	0	111.2	G97 E98 S99 Y106 N208	A95-G97 PolarHBondContact O-N 2.85Å; A95-E98 HydrophobicContact CB-CB 3.91Å; A95-E98 PolarHBondContact O-N 3.18Å; A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.79Å; A95-Y106 WeakPolarHBondContact CA-OH 3.29Å; A95-Y106 WeakPolarHBondContact CB-OH 3.31Å; A95-Y106 PolarHBondContact N-OH 3.19Å; A95-Y106 PolarHBondContact O-OH 2.8Å; A95-Y106 VanDerWaalsContact O-OH 3.04Å; A95-N208 HydrophobicContact CB-CB 4.31Å
96	V	89.6	Confident	95.5	Very high	32 Å²	32	42.8 Å²	42.8	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-56.2	-51	-179.8	168.4	0	0	0	0	111.7	K94 S99 V100 N157 Y159	K94-V96 PolarHBondContact O-N 3.4Å; V96-S99 WeakPolarHBondContact O-CB 3.46Å; V96-S99 PolarHBondContact O-N 3.29Å; V96-S99 PolarHBondContact O-OG 2.91Å; V96-V100 PolarHBondContact O-N 3.27Å; V96-N157 HydrophobicContact CG1-CB 3.93Å; V96-Y159 HydrophobicContact CG2-CD1 3.89Å
97	G	87	Confident	95.5	Very high	25 Å²	25	45.5 Å²	45.5	26%	0.258	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-51.4	-179.5	0	0	0	0	0	113	A95 S99 V100 E101	A95-G97 PolarHBondContact O-N 2.85Å; G97-S99 PolarHBondContact O-N 2.68Å; G97-V100 PolarHBondContact O-N 2.82Å; G97-V100 VanDerWaalsContact O-N 3.09Å; G97-E101 PolarHBondContact O-N 3.27Å
98	E	90.3	Very high	95.4	Very high	52 Å²	52	53.8 Å²	53.8	24%	0.243	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-33.8	176.6	-170.6	-164.7	-141	0	0	111.6	A95 V100 E101 Q102 R105 Y106	A95-E98 HydrophobicContact CB-CB 3.91Å; A95-E98 PolarHBondContact O-N 3.18Å; E98-V100 VanDerWaalsContact C-N 3.29Å; E98-V100 PolarHBondContact O-N 3.41Å; E98-E101 CarbonylContact O-C 3.26Å; E98-E101 PolarHBondContact O-N 2.82Å; E98-Q102 HydrophobicContact CG-CG 4.47Å; E98-Q102 WeakPolarHBondContact O-CB 3.43Å; E98-Q102 PolarHBondContact O-N 2.98Å; E98-R105 IonicContact OE1-CZ 3.18Å; E98-R105 IonicContact OE1-NH1 3.64Å; E98-R105 PolarHBondContact OE1-NH1 3.38Å; E98-Y106 HydrophobicContact CB-CE2 4.21Å; E98-Y106 HydrophobicContact CG-CE2 4.05Å; E98-Y106 VanDerWaalsContact OE2-CE2 3.28Å; E98-Y106 WeakPolarHBondContact OE2-CE2 3.46Å; E98-Y106 PolarHBondContact OE2-OH 3.11Å
99	S	94.6	Very high	95.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-32.4	179	83.8	0	0	0	0	113.3	A95 V96 G97 Q102 P103 Y106 P158 Y159	A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.79Å; V96-S99 WeakPolarHBondContact O-CB 3.46Å; V96-S99 PolarHBondContact O-N 3.29Å; V96-S99 PolarHBondContact O-OG 2.91Å; G97-S99 PolarHBondContact O-N 2.68Å; S99-Q102 CarbonylContact O-C 3.53Å; S99-P103 VanDerWaalsContact O-CA 3.25Å; S99-P103 WeakPolarHBondContact O-CA 3.25Å; S99-P103 VanDerWaalsContact O-N 3.16Å; S99-Y106 VanDerWaalsContact CA-CD2 3.5Å; S99-Y106 VanDerWaalsContact CA-CE2 3.47Å; S99-Y106 VanDerWaalsContact CB-CD1 3.47Å; S99-P158 WeakPolarHBondContact O-CB 3.09Å; S99-P158 WeakPolarHBondContact O-CG 3.36Å; S99-Y159 PolarHBondContact OG-N 3.45Å
100	V	92.7	Very high	95.4	Very high	56 Å²	56	55.2 Å²	55.2	34%	0.339	28%	0.28	S	S	.	.	H	α-helix	trans	-70	-39.5	174.8	177.8	0	0	0	0	110.2	V96 G97 E98 N157	V96-V100 PolarHBondContact O-N 3.27Å; G97-V100 PolarHBondContact O-N 2.82Å; G97-V100 VanDerWaalsContact O-N 3.09Å; E98-V100 VanDerWaalsContact C-N 3.29Å; E98-V100 PolarHBondContact O-N 3.41Å; V100-N157 HydrophobicContact CG2-CB 4.03Å
101	E	93.4	Very high	95.3	Very high	156 Å²	156	55.4 Å²	55.4	73%	0.729	28%	0.282	S	S	*	.	H	α-helix	trans	-72.8	-33	177.4	-63.2	176.9	-179.3	0	0	112.8	G97 E98 P103	G97-E101 PolarHBondContact O-N 3.27Å; E98-E101 CarbonylContact O-C 3.26Å; E98-E101 PolarHBondContact O-N 2.82Å; E101-P103 VanDerWaalsContact C-CD 3.45Å
102	Q	95.6	Very high	95.3	Very high	75 Å²	75	56.6 Å²	56.6	35%	0.35	29%	0.287	S	S	.	.			trans	-130.3	56.2	-172.5	-55.4	-173.4	6.6	0	0	113.1	E98 S99 L104 R105 Y106	E98-Q102 HydrophobicContact CG-CG 4.47Å; E98-Q102 WeakPolarHBondContact O-CB 3.43Å; E98-Q102 PolarHBondContact O-N 2.98Å; S99-Q102 CarbonylContact O-C 3.53Å; Q102-L104 PolarHBondContact O-N 3.4Å; Q102-R105 HydrophobicContact CB-CB 4.12Å; Q102-R105 WeakPolarHBondContact O-CB 3.31Å; Q102-R105 PolarHBondContact O-N 3.46Å; Q102-R105 VanDerWaalsContact O-N 3.15Å; Q102-Y106 PolarHBondContact O-N 2.98Å
103	P	96.9	Very high	95.4	Very high	46 Å²	46	55.3 Å²	55.3	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-44.4	-171.2	21	-33	0	0	0	113.3	S99 E101 R105 Y106 Y107 P158	S99-P103 VanDerWaalsContact O-CA 3.25Å; S99-P103 WeakPolarHBondContact O-CA 3.25Å; S99-P103 VanDerWaalsContact O-N 3.16Å; E101-P103 VanDerWaalsContact C-CD 3.45Å; P103-R105 VanDerWaalsContact C-N 3.27Å; P103-R105 PolarHBondContact O-N 2.85Å; P103-Y106 PolarHBondContact O-N 2.66Å; P103-Y106 VanDerWaalsContact O-N 3.16Å; P103-Y107 HydrophobicContact CB-CD2 4.39Å; P103-Y107 HydrophobicContact CB-CE2 4.03Å; P103-Y107 WeakPolarHBondContact O-CD2 3.31Å; P103-Y107 PolarHBondContact O-N 2.96Å; P103-P158 HydrophobicContact CB-CB 4.04Å; P103-P158 HydrophobicContact CB-CG 3.85Å
104	L	98.3	Very high	95.5	Very high	141 Å²	141	54.5 Å²	54.5	74%	0.738	27%	0.269	S	S	*	.	H	α-helix	trans	-64.5	-31.6	-178.4	-63.1	-177	0	0	0	112.6	Q102 R108	Q102-L104 PolarHBondContact O-N 3.4Å; L104-R108 VanDerWaalsContact O-CB 3.26Å; L104-R108 WeakPolarHBondContact O-CB 3.39Å; L104-R108 PolarHBondContact O-N 3.23Å
105	R	97.6	Very high	95.7	Very high	108 Å²	108	54.1 Å²	54.1	41%	0.408	27%	0.27	S	S	.	.	H	α-helix	trans	-65.6	-44.1	174.9	-173.8	-175.2	171.6	-156.7	-8.2	110.5	L93 E98 Q102 P103 R108 V109	L93-R105 HydrophobicContact CD1-CG 3.8Å; E98-R105 IonicContact OE1-CZ 3.18Å; E98-R105 IonicContact OE1-NH1 3.64Å; E98-R105 PolarHBondContact OE1-NH1 3.38Å; Q102-R105 HydrophobicContact CB-CB 4.12Å; Q102-R105 WeakPolarHBondContact O-CB 3.31Å; Q102-R105 PolarHBondContact O-N 3.46Å; Q102-R105 VanDerWaalsContact O-N 3.15Å; P103-R105 VanDerWaalsContact C-N 3.27Å; P103-R105 PolarHBondContact O-N 2.85Å; R105-R108 PolarHBondContact O-N 3.24Å; R105-V109 WeakPolarHBondContact O-CB 3.38Å; R105-V109 WeakPolarHBondContact O-CG2 3.45Å; R105-V109 PolarHBondContact O-N 3.15Å
106	Y	98.3	Very high	96.1	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-46.5	176.9	-85.9	-107.7	0	0	0	112.1	L93 A95 E98 S99 Q102 P103 N110 Y159	L93-Y106 HydrophobicContact CB-CD1 3.8Å; L93-Y106 HydrophobicContact CB-CD2 4.37Å; L93-Y106 HydrophobicContact CB-CE1 3.43Å; L93-Y106 VanDerWaalsContact CB-CE1 3.43Å; L93-Y106 HydrophobicContact CB-CE2 4.03Å; L93-Y106 HydrophobicContact CB-CG 4.26Å; L93-Y106 HydrophobicContact CD1-CD2 4.02Å; L93-Y106 HydrophobicContact CD1-CE2 3.97Å; L93-Y106 HydrophobicContact CD1-CG 4.41Å; A95-Y106 WeakPolarHBondContact CA-OH 3.29Å; A95-Y106 WeakPolarHBondContact CB-OH 3.31Å; A95-Y106 PolarHBondContact N-OH 3.19Å; A95-Y106 PolarHBondContact O-OH 2.8Å; A95-Y106 VanDerWaalsContact O-OH 3.04Å; E98-Y106 HydrophobicContact CB-CE2 4.21Å; E98-Y106 HydrophobicContact CG-CE2 4.05Å; E98-Y106 VanDerWaalsContact OE2-CE2 3.28Å; E98-Y106 WeakPolarHBondContact OE2-CE2 3.46Å; E98-Y106 PolarHBondContact OE2-OH 3.11Å; S99-Y106 VanDerWaalsContact CA-CD2 3.5Å; S99-Y106 VanDerWaalsContact CA-CE2 3.47Å; S99-Y106 VanDerWaalsContact CB-CD1 3.47Å; Q102-Y106 PolarHBondContact O-N 2.98Å; P103-Y106 PolarHBondContact O-N 2.66Å; P103-Y106 VanDerWaalsContact O-N 3.16Å; Y106-N110 VanDerWaalsContact O-CB 3.25Å; Y106-N110 WeakPolarHBondContact O-CB 3.46Å; Y106-N110 PolarHBondContact O-N 3.3Å; Y106-Y159 HydrophobicContact CD1-CD2 4.34Å; Y106-Y159 HydrophobicContact CE1-CD2 4.19Å; Y106-Y159 HydrophobicContact CE1-CG 4.47Å
107	Y	98.4	Very high	96.5	Very high	61 Å²	61	53 Å²	53	24%	0.239	26%	0.261	C	S	.	.	I	π-helix	trans	-61.1	-46.2	176.6	-67.7	-57.1	0	0	0	111.8	P103 L111 P158 K161 T162 F165	P103-Y107 HydrophobicContact CB-CD2 4.39Å; P103-Y107 HydrophobicContact CB-CE2 4.03Å; P103-Y107 WeakPolarHBondContact O-CD2 3.31Å; P103-Y107 PolarHBondContact O-N 2.96Å; Y107-L111 HydrophobicContact CD1-CD1 3.84Å; Y107-L111 HydrophobicContact CD1-CG 4.42Å; Y107-L111 HydrophobicContact CG-CD1 4.49Å; Y107-L111 WeakPolarHBondContact O-CB 3.4Å; Y107-L111 WeakPolarHBondContact O-CG 3.19Å; Y107-L111 PolarHBondContact O-N 3.45Å; Y107-P158 HydrophobicContact CE2-CB 4.34Å; Y107-K161 HydrophobicContact CE1-CB 4.18Å; Y107-K161 WeakPolarHBondContact OH-CD 3.19Å; Y107-T162 HydrophobicContact CD1-CG2 3.55Å; Y107-T162 HydrophobicContact CE1-CG2 3.91Å; Y107-T162 HydrophobicContact CG-CG2 4.37Å; Y107-F165 HydrophobicContact CE1-CD2 4.26Å; Y107-F165 AromaticContact CE1-CE2 3.96Å; Y107-F165 HydrophobicContact CE1-CE2 3.96Å
108	R	97.4	Very high	97.1	Very high	173 Å²	173	52.7 Å²	52.7	65%	0.653	25%	0.253	S	S	*	.	I	π-helix	trans	-60.7	-52.6	178.1	-180	178	174.6	177.8	-1.7	111.7	L104 R105 T112	L104-R108 VanDerWaalsContact O-CB 3.26Å; L104-R108 WeakPolarHBondContact O-CB 3.39Å; L104-R108 PolarHBondContact O-N 3.23Å; R105-R108 PolarHBondContact O-N 3.24Å; R108-T112 WeakPolarHBondContact O-CB 3.36Å; R108-T112 PolarHBondContact O-N 3.45Å; R108-T112 PolarHBondContact O-OG1 3.12Å
109	V	97.6	Very high	97.5	Very high	34 Å²	34	54.5 Å²	54.5	21%	0.206	26%	0.262	C	S	.	.	I	π-helix	trans	-67	-55.6	-176.7	174.4	0	0	0	0	110.1	L93 R105 A113	L93-V109 HydrophobicContact CD1-CB 4.15Å; L93-V109 HydrophobicContact CD1-CG2 4.05Å; L93-V109 HydrophobicContact CG-CB 4.19Å; L93-V109 HydrophobicContact CG-CG1 4.03Å; L93-V109 HydrophobicContact CG-CG2 4.42Å; R105-V109 WeakPolarHBondContact O-CB 3.38Å; R105-V109 WeakPolarHBondContact O-CG2 3.45Å; R105-V109 PolarHBondContact O-N 3.15Å; V109-A113 WeakPolarHBondContact O-CB 3.46Å; V109-A113 PolarHBondContact O-N 2.91Å; V109-A113 VanDerWaalsContact O-N 3.12Å
110	N	98.6	Very high	97.7	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	26%	0.262	C	S	.	.	I	π-helix	trans	-71.7	-44.9	-169.8	-65.5	2.2	0	0	0	112	G92 L93 Y106 S114 T162 I166	G92-N110 VanDerWaalsContact CA-OD1 3.3Å; G92-N110 WeakPolarHBondContact CA-OD1 3.45Å; L93-N110 PolarHBondContact N-OD1 2.98Å; L93-N110 PolarHBondContact O-ND2 2.98Å; Y106-N110 VanDerWaalsContact O-CB 3.25Å; Y106-N110 WeakPolarHBondContact O-CB 3.46Å; Y106-N110 PolarHBondContact O-N 3.3Å; N110-S114 WeakPolarHBondContact O-CB 3.27Å; N110-S114 PolarHBondContact O-N 3.01Å; N110-S114 PolarHBondContact O-OG 3.43Å; N110-T162 HydrophobicContact CB-CG2 4Å; N110-T162 PolarHBondContact ND2-OG1 2.9Å; N110-I166 HydrophobicContact CB-CD1 4.19Å; N110-I166 WeakPolarHBondContact O-CD1 3.5Å
111	L	98.7	Very high	98	Very high	30 Å²	30	51.9 Å²	51.9	16%	0.157	25%	0.245	C	C	.	.	I	π-helix	trans	-76	-50.9	-176.9	-54	-177.3	0	0	0	111.5	Y107 A113 S114 M115 T162 F165 I166	Y107-L111 HydrophobicContact CD1-CD1 3.84Å; Y107-L111 HydrophobicContact CD1-CG 4.42Å; Y107-L111 HydrophobicContact CG-CD1 4.49Å; Y107-L111 WeakPolarHBondContact O-CB 3.4Å; Y107-L111 WeakPolarHBondContact O-CG 3.19Å; Y107-L111 PolarHBondContact O-N 3.45Å; L111-A113 PolarHBondContact O-N 3.23Å; L111-S114 PolarHBondContact O-N 2.89Å; L111-M115 HydrophobicContact CB-CE 4.4Å; L111-M115 WeakPolarHBondContact O-CG 3.31Å; L111-M115 PolarHBondContact O-N 3.3Å; L111-T162 HydrophobicContact CD2-CG2 4.43Å; L111-T162 HydrophobicContact CG-CG2 4.44Å; L111-F165 HydrophobicContact CD1-CD2 4.26Å; L111-F165 HydrophobicContact CD2-CB 3.9Å; L111-I166 HydrophobicContact CD2-CD1 4.18Å; L111-I166 HydrophobicContact CD2-CG1 3.7Å
112	T	98.4	Very high	98.2	Very high	50 Å²	50	47.1 Å²	47.1	31%	0.307	22%	0.223	S	C	.	.	I	π-helix	trans	-67.6	-37.2	-176.3	-50.5	0	0	0	0	112.1	L70 R108 S114 M115 N116	L70-T112 HydrophobicContact CD2-CG2 3.87Å; R108-T112 WeakPolarHBondContact O-CB 3.36Å; R108-T112 PolarHBondContact O-N 3.45Å; R108-T112 PolarHBondContact O-OG1 3.12Å; T112-S114 VanDerWaalsContact C-N 3.34Å; T112-S114 PolarHBondContact O-N 3.33Å; T112-M115 PolarHBondContact O-N 2.91Å; T112-N116 WeakPolarHBondContact O-CB 3.48Å; T112-N116 VanDerWaalsContact O-CG 3.28Å; T112-N116 PolarHBondContact O-N 3.45Å
113	A	98.1	Very high	98.3	Very high	5 Å²	5	47 Å²	47	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-42.2	172.9	0	0	0	0	0	112.1	L69 L70 V109 L111 N116 L117	L69-A113 HydrophobicContact CB-CB 3.68Å; L69-A113 HydrophobicContact CD1-CB 4.18Å; L70-A113 HydrophobicContact CD2-CB 4.37Å; V109-A113 WeakPolarHBondContact O-CB 3.46Å; V109-A113 PolarHBondContact O-N 2.91Å; V109-A113 VanDerWaalsContact O-N 3.12Å; L111-A113 PolarHBondContact O-N 3.23Å; A113-N116 PolarHBondContact O-N 2.78Å; A113-L117 VanDerWaalsContact O-CB 3.31Å; A113-L117 WeakPolarHBondContact O-CB 3.46Å; A113-L117 PolarHBondContact O-N 3.29Å
114	S	98.7	Very high	98.4	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-42.6	177.9	-58.7	0	0	0	0	111.5	H89 N110 L111 T112 L117 M118 I166	H89-S114 PolarHBondContact NE2-OG 3.01Å; N110-S114 WeakPolarHBondContact O-CB 3.27Å; N110-S114 PolarHBondContact O-N 3.01Å; N110-S114 PolarHBondContact O-OG 3.43Å; L111-S114 PolarHBondContact O-N 2.89Å; T112-S114 VanDerWaalsContact C-N 3.34Å; T112-S114 PolarHBondContact O-N 3.33Å; S114-L117 PolarHBondContact O-N 3.21Å; S114-M118 WeakPolarHBondContact O-CB 3.4Å; S114-M118 WeakPolarHBondContact O-CG 3.47Å; S114-M118 PolarHBondContact O-N 2.85Å; S114-I166 VanDerWaalsContact OG-CD1 3.32Å; S114-I166 WeakPolarHBondContact OG-CD1 3.44Å
115	M	98.6	Very high	98.3	Very high	74 Å²	74	46.7 Å²	46.7	37%	0.365	23%	0.23	S	C	.	.	H	α-helix	trans	-59.4	-52	174.4	-72.9	-173.6	-71	0	0	111.4	L111 T112 L117 M118 E119 M169	L111-M115 HydrophobicContact CB-CE 4.4Å; L111-M115 WeakPolarHBondContact O-CG 3.31Å; L111-M115 PolarHBondContact O-N 3.3Å; T112-M115 PolarHBondContact O-N 2.91Å; M115-L117 VanDerWaalsContact C-N 3.28Å; M115-L117 PolarHBondContact O-N 3.1Å; M115-M118 PolarHBondContact O-N 3.04Å; M115-E119 WeakPolarHBondContact O-CB 3.37Å; M115-E119 WeakPolarHBondContact O-CG 3.42Å; M115-E119 PolarHBondContact O-N 3.32Å; M115-M169 HydrophobicContact CB-CE 4.39Å; M115-M169 HydrophobicContact CG-CE 3.22Å; M115-M169 HydrophobicContact CG-SD 4.41Å; M115-M169 HydrophobicContact SD-CE 4.22Å
116	N	98.8	Very high	98.4	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.102	21%	0.212	C	C	.	.	H	α-helix	trans	-56	-45.1	177.6	-75.8	-8.7	0	0	0	111.4	L69 T112 A113 V120	L69-N116 WeakPolarHBondContact O-CB 3.22Å; L69-N116 PolarHBondContact O-ND2 3.27Å; T112-N116 WeakPolarHBondContact O-CB 3.48Å; T112-N116 VanDerWaalsContact O-CG 3.28Å; T112-N116 PolarHBondContact O-N 3.45Å; A113-N116 PolarHBondContact O-N 2.78Å; N116-V120 WeakPolarHBondContact O-CB 3.23Å; N116-V120 VanDerWaalsContact O-CG2 3.27Å; N116-V120 WeakPolarHBondContact O-CG2 3.37Å; N116-V120 PolarHBondContact O-N 2.85Å
117	L	98.8	Very high	98.4	Very high	2 Å²	2	43 Å²	43	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-49.3	179.4	179.3	61.8	0	0	0	111.8	L6 T8 L69 L75 F79 V87 H89 A113 S114 M115 E119 V120 M121	L6-L117 HydrophobicContact CD2-CD1 4.18Å; T8-L117 HydrophobicContact CG2-CD1 4.42Å; T8-L117 HydrophobicContact CG2-CD2 4.13Å; L69-L117 HydrophobicContact CD1-CD2 4.5Å; L75-L117 HydrophobicContact CD2-CB 4.47Å; L75-L117 HydrophobicContact CD2-CD1 4.28Å; F79-L117 HydrophobicContact CE2-CD1 4.15Å; F79-L117 HydrophobicContact CZ-CD1 4.07Å; V87-L117 HydrophobicContact CG1-CD1 4.28Å; V87-L117 HydrophobicContact CG1-CD2 4.05Å; H89-L117 HydrophobicContact CB-CD2 3.94Å; H89-L117 WeakPolarHBondContact ND1-CD2 3.4Å; A113-L117 VanDerWaalsContact O-CB 3.31Å; A113-L117 WeakPolarHBondContact O-CB 3.46Å; A113-L117 PolarHBondContact O-N 3.29Å; S114-L117 PolarHBondContact O-N 3.21Å; M115-L117 VanDerWaalsContact C-N 3.28Å; M115-L117 PolarHBondContact O-N 3.1Å; L117-E119 PolarHBondContact O-N 3.41Å; L117-V120 PolarHBondContact O-N 2.83Å; L117-M121 HydrophobicContact CD1-CG 4.22Å; L117-M121 HydrophobicContact CD1-SD 4.17Å; L117-M121 HydrophobicContact CG-CG 4.43Å; L117-M121 HydrophobicContact CG-SD 3.91Å; L117-M121 VanDerWaalsContact O-CB 3.27Å; L117-M121 WeakPolarHBondContact O-CB 3.41Å; L117-M121 WeakPolarHBondContact O-CG 3.38Å; L117-M121 PolarHBondContact O-N 3.42Å
118	M	98.7	Very high	98.4	Very high	17 Å²	17	42.1 Å²	42.1	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-41.6	179.5	-71.5	177.9	65.6	0	0	112.3	S114 M115 M121 Q122 I170 H173 W180	S114-M118 WeakPolarHBondContact O-CB 3.4Å; S114-M118 WeakPolarHBondContact O-CG 3.47Å; S114-M118 PolarHBondContact O-N 2.85Å; M115-M118 PolarHBondContact O-N 3.04Å; M118-M121 WeakPolarHBondContact O-CB 3.45Å; M118-M121 PolarHBondContact O-N 3.41Å; M118-Q122 WeakPolarHBondContact O-CB 3.43Å; M118-Q122 PolarHBondContact O-N 2.9Å; M118-I170 HydrophobicContact CE-CG1 4.01Å; M118-I170 HydrophobicContact SD-CG1 3.71Å; M118-H173 HydrophobicContact CE-CB 3.6Å; M118-W180 HydrophobicContact CB-CH2 4.39Å
119	E	98.6	Very high	98.5	Very high	91 Å²	91	34.1 Å²	34.1	43%	0.425	19%	0.187	S	C	.	.	H	α-helix	trans	-64.4	-41.9	176.9	-73.5	-177	-164.1	0	0	112.4	R72 M115 L117 Q122 A123	R72-E119 IonicContact CZ-OE2 3.53Å; R72-E119 IonicContact NH1-OE2 3.82Å; R72-E119 PolarHBondContact NH1-OE2 3.37Å; R72-E119 IonicContact NH2-OE2 3.68Å; R72-E119 PolarHBondContact NH2-OE2 3.12Å; M115-E119 WeakPolarHBondContact O-CB 3.37Å; M115-E119 WeakPolarHBondContact O-CG 3.42Å; M115-E119 PolarHBondContact O-N 3.32Å; L117-E119 PolarHBondContact O-N 3.41Å; E119-Q122 PolarHBondContact O-N 2.98Å; E119-A123 WeakPolarHBondContact O-CB 3.44Å; E119-A123 PolarHBondContact O-N 3.01Å
120	V	98.8	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.2	-40.6	176.8	174.8	0	0	0	0	110.9	R72 L75 E76 F79 N116 L117 Q122 A123 H124	R72-V120 HydrophobicContact CG-CG2 4.17Å; L75-V120 HydrophobicContact CD2-CB 4.24Å; L75-V120 HydrophobicContact CD2-CG2 4.11Å; L75-V120 HydrophobicContact CG-CB 4.34Å; L75-V120 HydrophobicContact CG-CG1 4.19Å; L75-V120 HydrophobicContact CG-CG2 4.29Å; E76-V120 HydrophobicContact CG-CG1 4.21Å; E76-V120 HydrophobicContact CG-CG2 3.67Å; F79-V120 HydrophobicContact CB-CG1 3.83Å; F79-V120 HydrophobicContact CD1-CG1 4.15Å; F79-V120 HydrophobicContact CD2-CG1 3.5Å; F79-V120 HydrophobicContact CE2-CG1 4.01Å; F79-V120 HydrophobicContact CG-CG1 3.57Å; N116-V120 WeakPolarHBondContact O-CB 3.23Å; N116-V120 VanDerWaalsContact O-CG2 3.27Å; N116-V120 WeakPolarHBondContact O-CG2 3.37Å; N116-V120 PolarHBondContact O-N 2.85Å; L117-V120 PolarHBondContact O-N 2.83Å; V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 PolarHBondContact O-N 3.25Å; V120-A123 PolarHBondContact O-N 3.46Å; V120-H124 WeakPolarHBondContact O-CB 3.26Å; V120-H124 PolarHBondContact O-CD2 3.06Å; V120-H124 VanDerWaalsContact O-CD2 3.23Å; V120-H124 PolarHBondContact O-N 2.92Å; V120-H124 VanDerWaalsContact O-N 3.12Å
121	M	98.8	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-54.8	-49.2	172.2	-80.9	177.1	69.3	0	0	111.5	F79 V87 L117 M118 H124 N125 V126 L129 W180	F79-M121 HydrophobicContact CE1-CB 4.45Å; F79-M121 HydrophobicContact CE1-CG 3.76Å; F79-M121 HydrophobicContact CZ-CG 3.67Å; V87-M121 HydrophobicContact CB-CE 3.99Å; V87-M121 HydrophobicContact CB-SD 3.89Å; V87-M121 HydrophobicContact CG1-SD 4.35Å; V87-M121 HydrophobicContact CG2-CE 3.66Å; V87-M121 HydrophobicContact CG2-CG 3.89Å; V87-M121 HydrophobicContact CG2-SD 3.54Å; V87-M121 VanDerWaalsContact CG2-SD 3.54Å; L117-M121 HydrophobicContact CD1-CG 4.22Å; L117-M121 HydrophobicContact CD1-SD 4.17Å; L117-M121 HydrophobicContact CG-CG 4.43Å; L117-M121 HydrophobicContact CG-SD 3.91Å; L117-M121 VanDerWaalsContact O-CB 3.27Å; L117-M121 WeakPolarHBondContact O-CB 3.41Å; L117-M121 WeakPolarHBondContact O-CG 3.38Å; L117-M121 PolarHBondContact O-N 3.42Å; M118-M121 WeakPolarHBondContact O-CB 3.45Å; M118-M121 PolarHBondContact O-N 3.41Å; M121-H124 CarbonylContact O-C 3.59Å; M121-H124 PolarHBondContact O-N 2.94Å; M121-N125 PolarHBondContact O-N 2.85Å; M121-N125 VanDerWaalsContact O-N 3.14Å; M121-V126 HydrophobicContact CB-CB 4.44Å; M121-V126 WeakPolarHBondContact CB-O 3.3Å; M121-V126 HydrophobicContact CE-CG1 4.24Å; M121-V126 VanDerWaalsContact CE-O 3.31Å; M121-V126 WeakPolarHBondContact CE-O 3.45Å; M121-V126 HydrophobicContact CG-CB 4.47Å; M121-V126 PolarHBondContact O-N 2.79Å; M121-L129 HydrophobicContact CE-CB 4.06Å; M121-L129 HydrophobicContact CE-CD1 4.33Å; M121-L129 HydrophobicContact SD-CD1 4.26Å; M121-W180 HydrophobicContact CB-CH2 3.77Å; M121-W180 HydrophobicContact CB-CZ2 4.22Å; M121-W180 HydrophobicContact CE-CH2 4Å; M121-W180 HydrophobicContact CE-CZ3 3.97Å; M121-W180 HydrophobicContact SD-CH2 4.42Å
122	Q	98.1	Very high	98.6	Very high	57 Å²	57	31.3 Å²	31.3	27%	0.266	17%	0.172	S	C	.	.	H	α-helix	trans	-59	-49.4	176.3	-177.6	67.5	47	0	0	111.9	M118 E119 V120 H124 N125 H173 W180	M118-Q122 WeakPolarHBondContact O-CB 3.43Å; M118-Q122 PolarHBondContact O-N 2.9Å; E119-Q122 PolarHBondContact O-N 2.98Å; V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 PolarHBondContact O-N 3.25Å; Q122-H124 PolarHBondContact O-N 2.71Å; Q122-H124 VanDerWaalsContact O-N 3.11Å; Q122-N125 PolarHBondContact O-N 2.9Å; Q122-H173 PolarHBondContact OE1-CE1 3.06Å; Q122-H173 PolarHBondContact OE1-NE2 3.4Å; Q122-H173 VanDerWaalsContact OE1-NE2 3.15Å; Q122-W180 HydrophobicContact CB-CZ2 4.04Å
123	A	98.1	Very high	98.6	Very high	72 Å²	72	29 Å²	29	60%	0.595	16%	0.158	S	C	*	.	H	α-helix	trans	-62.8	-20.3	-178.3	0	0	0	0	0	113.4	E119 V120	E119-A123 WeakPolarHBondContact O-CB 3.44Å; E119-A123 PolarHBondContact O-N 3.01Å; V120-A123 PolarHBondContact O-N 3.46Å
124	H	98.4	Very high	98.6	Very high	52 Å²	52	29.3 Å²	29.3	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	11.1	-178.2	-75.5	-88.2	0	0	0	114.1	F79 K80 V120 M121 Q122 V126	F79-H124 HydrophobicContact CB-CB 4.15Å; F79-H124 HydrophobicContact CD1-CB 3.83Å; F79-H124 HydrophobicContact CG-CB 4.44Å; F79-H124 PolarHBondContact O-ND1 2.74Å; K80-H124 VanDerWaalsContact CG-CE1 3.47Å; K80-H124 WeakPolarHBondContact CG-CE1 3.38Å; V120-H124 WeakPolarHBondContact O-CB 3.26Å; V120-H124 PolarHBondContact O-CD2 3.06Å; V120-H124 VanDerWaalsContact O-CD2 3.23Å; V120-H124 PolarHBondContact O-N 2.92Å; V120-H124 VanDerWaalsContact O-N 3.12Å; M121-H124 CarbonylContact O-C 3.59Å; M121-H124 PolarHBondContact O-N 2.94Å; Q122-H124 PolarHBondContact O-N 2.71Å; Q122-H124 VanDerWaalsContact O-N 3.11Å; H124-V126 VanDerWaalsContact C-N 3.33Å; H124-V126 HydrophobicContact CB-CG2 4.44Å; H124-V126 PolarHBondContact O-N 2.91Å
125	N	97.9	Very high	98.5	Very high	128 Å²	128	29.6 Å²	29.6	68%	0.684	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	38.7	179.6	-51.1	-71.9	0	0	0	114	M121 Q122 H127	M121-N125 PolarHBondContact O-N 2.85Å; M121-N125 VanDerWaalsContact O-N 3.14Å; Q122-N125 PolarHBondContact O-N 2.9Å; N125-H127 WeakPolarHBondContact CA-NE2 3.29Å
126	V	98.5	Very high	98.4	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.042	16%	0.155	C	C	.	.			trans	-108.1	99.8	175.3	-176.5	0	0	0	0	108.6	F79 F84 V87 M121 H124	F79-V126 HydrophobicContact CD1-CG2 4.08Å; F79-V126 HydrophobicContact CE1-CB 4.14Å; F79-V126 HydrophobicContact CE1-CG1 4.45Å; F79-V126 HydrophobicContact CE1-CG2 3.93Å; F84-V126 HydrophobicContact CB-CG1 4.05Å; F84-V126 HydrophobicContact CB-CG2 4.16Å; V87-V126 HydrophobicContact CG2-CG1 4.1Å; M121-V126 HydrophobicContact CB-CB 4.44Å; M121-V126 WeakPolarHBondContact CB-O 3.3Å; M121-V126 HydrophobicContact CE-CG1 4.24Å; M121-V126 VanDerWaalsContact CE-O 3.31Å; M121-V126 WeakPolarHBondContact CE-O 3.45Å; M121-V126 HydrophobicContact CG-CB 4.47Å; M121-V126 PolarHBondContact O-N 2.79Å; H124-V126 VanDerWaalsContact C-N 3.33Å; H124-V126 HydrophobicContact CB-CG2 4.44Å; H124-V126 PolarHBondContact O-N 2.91Å
127	H	98.4	Very high	98.4	Very high	25 Å²	25	26.8 Å²	26.8	12%	0.116	15%	0.15	C	C	.	.			trans	-108.6	12.7	-166.4	-54.4	162	0	0	0	114.4	N125 D179 W180 N181	N125-H127 WeakPolarHBondContact CA-NE2 3.29Å; H127-D179 WeakPolarHBondContact CB-O 3.27Å; H127-D179 IonicContact CE1-OD2 2.69Å; H127-D179 PolarHBondContact CE1-OD2 3.4Å; H127-D179 IonicContact CG-OD2 3.58Å; H127-D179 IonicContact ND1-OD2 3.54Å; H127-D179 PolarHBondContact ND1-OD2 3.18Å; H127-W180 HydrophobicContact CB-CD2 4.2Å; H127-W180 HydrophobicContact CB-CG 4.02Å; H127-W180 AromaticContact CD2-CD1 3.94Å; H127-W180 AromaticContact CD2-CE2 3.72Å; H127-W180 AromaticContact CD2-NE1 3.27Å; H127-W180 PolarHBondContact CD2-NE1 3.31Å; H127-W180 VanDerWaalsContact CD2-NE1 3.27Å; H127-W180 AromaticContact CG-CD1 3.83Å; H127-W180 AromaticContact CG-NE1 3.64Å; H127-W180 AromaticContact NE2-NE1 3.85Å; H127-W180 WeakPolarHBondContact O-CA 3.48Å; H127-N181 PolarHBondContact O-N 2.78Å; H127-N181 VanDerWaalsContact O-O 3.12Å
128	N	98.9	Very high	98.3	Very high	43 Å²	43	26.9 Å²	26.9	23%	0.23	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	116.4	-176.5	-68.5	-47	0	0	0	110.2	S85 A86 V87 N181 L260	S85-N128 VanDerWaalsContact O-CB 3.32Å; S85-N128 WeakPolarHBondContact O-CB 3.45Å; S85-N128 PolarHBondContact O-ND2 3.06Å; A86-N128 CarbonylContact C-O 3.52Å; A86-N128 VanDerWaalsContact CA-O 3.31Å; A86-N128 WeakPolarHBondContact CA-O 3.48Å; A86-N128 HydrophobicContact CB-CB 3.75Å; V87-N128 PolarHBondContact N-O 3.35Å; N128-N181 WeakPolarHBondContact CA-O 3.43Å; N128-N181 WeakPolarHBondContact OD1-CB 3.31Å; N128-N181 PolarHBondContact OD1-ND2 3.06Å; N128-N181 VanDerWaalsContact OD1-ND2 3.09Å; N128-L260 HydrophobicContact CB-CB 4.47Å; N128-L260 HydrophobicContact CB-CD1 4.07Å
129	L	98.9	Very high	98.1	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.9	-176.5	-178.9	61.6	0	0	0	111.7	V87 H89 M121 F131 I170 N181 A182 V183	V87-L129 HydrophobicContact CB-CD1 4.15Å; V87-L129 HydrophobicContact CG1-CD1 4.3Å; H89-L129 HydrophobicContact CB-CD1 3.99Å; M121-L129 HydrophobicContact CE-CB 4.06Å; M121-L129 HydrophobicContact CE-CD1 4.33Å; M121-L129 HydrophobicContact SD-CD1 4.26Å; L129-F131 HydrophobicContact CG-CB 4.45Å; L129-I170 HydrophobicContact CD2-CD1 3.76Å; L129-I170 HydrophobicContact CD2-CG1 4.08Å; L129-N181 PolarHBondContact N-O 2.96Å; L129-A182 HydrophobicContact CB-CB 4.45Å; L129-A182 CarbonylContact O-C 3.16Å; L129-A182 VanDerWaalsContact O-CA 3.25Å; L129-A182 WeakPolarHBondContact O-CA 3.47Å; L129-V183 PolarHBondContact O-N 3.24Å
130	V	98.9	Very high	97.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.4	159.6	-175.7	0	0	0	0	107.6	V87 M88 H89 V183 L185 A256 L257 L260	V87-V130 PolarHBondContact O-N 2.82Å; M88-V130 HydrophobicContact CG-CB 4.22Å; H89-V130 PolarHBondContact N-O 3.11Å; V130-V183 WeakPolarHBondContact CA-O 3.49Å; V130-L185 HydrophobicContact CG1-CD1 3.44Å; V130-L185 VanDerWaalsContact CG1-CD1 3.44Å; V130-L185 HydrophobicContact CG1-CG 4.05Å; V130-A256 HydrophobicContact CG1-CB 4.04Å; V130-A256 HydrophobicContact CG2-CB 3.99Å; V130-L257 HydrophobicContact CG2-CD2 4.01Å; V130-L257 HydrophobicContact CG2-CG 4.41Å; V130-L260 HydrophobicContact CG2-CD1 3.63Å
131	F	98.9	Very high	97.4	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.1	-177.8	177.9	-115.2	0	0	0	112	H89 L129 S133 K163 I166 E167 I170 V183 L184 L185	H89-F131 HydrophobicContact CB-CD2 4.34Å; H89-F131 AromaticContact CD2-CD2 3.68Å; H89-F131 AromaticContact CD2-CE2 3.72Å; L129-F131 HydrophobicContact CG-CB 4.45Å; F131-S133 PolarHBondContact O-N 3.02Å; F131-S133 VanDerWaalsContact O-N 3.09Å; F131-K163 HydrophobicContact CE1-CD 4.26Å; F131-K163 HydrophobicContact CZ-CD 3.78Å; F131-I166 HydrophobicContact CD1-CG2 4.27Å; F131-I166 HydrophobicContact CD2-CG2 4.04Å; F131-I166 HydrophobicContact CE1-CB 4.03Å; F131-I166 HydrophobicContact CE1-CG2 3.71Å; F131-I166 HydrophobicContact CE2-CB 4.26Å; F131-I166 HydrophobicContact CE2-CD1 4.2Å; F131-I166 HydrophobicContact CE2-CG2 3.46Å; F131-I166 VanDerWaalsContact CE2-CG2 3.46Å; F131-I166 HydrophobicContact CG-CG2 4.41Å; F131-I166 HydrophobicContact CZ-CB 3.62Å; F131-I166 HydrophobicContact CZ-CD1 3.8Å; F131-I166 HydrophobicContact CZ-CG1 4.31Å; F131-I166 HydrophobicContact CZ-CG2 3.27Å; F131-E167 HydrophobicContact CE1-CG 4.43Å; F131-I170 HydrophobicContact CB-CD1 3.85Å; F131-I170 HydrophobicContact CD1-CD1 4.01Å; F131-I170 HydrophobicContact CD2-CD1 4.23Å; F131-I170 HydrophobicContact CG-CD1 3.75Å; F131-V183 PolarHBondContact N-O 3.39Å; F131-L184 HydrophobicContact CB-CD2 3.79Å; F131-L184 HydrophobicContact CD1-CD2 4.02Å; F131-L184 HydrophobicContact CG-CD2 4.32Å; F131-L185 PolarHBondContact O-N 3.12Å
132	S	98.6	Very high	97.2	Very high	7 Å²	7	35.2 Å²	35.2	5%	0.049	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	88.3	171.7	-60.7	0	0	0	0	111.8	H89 F90 K163 Y187	H89-S132 WeakPolarHBondContact O-CB 3.47Å; H89-S132 PolarHBondContact O-N 2.62Å; H89-S132 PolarHBondContact O-OG 2.76Å; F90-S132 WeakPolarHBondContact CD1-OG 3.34Å; F90-S132 WeakPolarHBondContact CE1-OG 3.25Å; S132-K163 WeakPolarHBondContact O-CD 3.35Å; S132-K163 VanDerWaalsContact O-CE 3.27Å; S132-K163 WeakPolarHBondContact O-CE 3.35Å; S132-K163 PolarHBondContact O-NZ 3.32Å; S132-Y187 WeakPolarHBondContact CA-OH 3.46Å; S132-Y187 VanDerWaalsContact CB-CE2 3.49Å; S132-Y187 WeakPolarHBondContact CB-OH 3.22Å; S132-Y187 PolarHBondContact OG-OH 3.2Å
133	S	98.6	Very high	97.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-166.8	168	-162.9	0	0	0	0	111.1	F131 E167 L185	F131-S133 PolarHBondContact O-N 3.02Å; F131-S133 VanDerWaalsContact O-N 3.09Å; S133-E167 VanDerWaalsContact CB-OE1 3.28Å; S133-E167 WeakPolarHBondContact CB-OE1 3.09Å; S133-E167 PolarHBondContact OG-OE1 2.83Å; S133-L185 CarbonylContact C-O 3.59Å; S133-L185 VanDerWaalsContact C-O 3.3Å; S133-L185 VanDerWaalsContact CA-O 3.26Å; S133-L185 WeakPolarHBondContact CA-O 3.22Å; S133-L185 WeakPolarHBondContact CB-O 3.22Å; S133-L185 PolarHBondContact N-O 3.42Å
134	S	98.2	Very high	97	Very high	12 Å²	12	36.2 Å²	36.2	8%	0.084	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	148.2	-174.6	173.8	0	0	0	0	111	T136 V137	S134-T136 VanDerWaalsContact CB-OG1 3.29Å; S134-T136 WeakPolarHBondContact CB-OG1 3.46Å; S134-T136 PolarHBondContact O-N 3.02Å; S134-T136 WeakPolarHBondContact OG-CG2 3.43Å; S134-T136 PolarHBondContact OG-N 3.27Å; S134-T136 VanDerWaalsContact OG-N 3.15Å; S134-T136 PolarHBondContact OG-OG1 2.91Å; S134-V137 WeakPolarHBondContact O-CG1 3.35Å; S134-V137 VanDerWaalsContact O-CG2 3.23Å; S134-V137 WeakPolarHBondContact O-CG2 3.26Å; S134-V137 PolarHBondContact O-N 3.2Å; S134-V137 VanDerWaalsContact O-N 3.1Å
135	A	97.6	Very high	97	Very high	8 Å²	8	36.4 Å²	36.4	7%	0.066	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-56.7	-16.5	169.6	0	0	0	0	0	113.4	V137 Y138 Y187 F188	A135-V137 PolarHBondContact O-N 3.24Å; A135-V137 VanDerWaalsContact O-N 3.15Å; A135-Y138 HydrophobicContact CB-CD2 4.23Å; A135-Y138 WeakPolarHBondContact O-CB 3.38Å; A135-Y138 VanDerWaalsContact O-CD2 3.26Å; A135-Y138 WeakPolarHBondContact O-CD2 3.49Å; A135-Y138 PolarHBondContact O-N 2.94Å; A135-Y138 VanDerWaalsContact O-N 3.12Å; A135-Y187 PolarHBondContact N-O 3.21Å; A135-F188 HydrophobicContact CB-CD1 3.94Å; A135-F188 HydrophobicContact CB-CD2 4.19Å; A135-F188 HydrophobicContact CB-CE1 3.88Å; A135-F188 HydrophobicContact CB-CE2 4.09Å; A135-F188 HydrophobicContact CB-CG 4.11Å; A135-F188 HydrophobicContact CB-CZ 3.95Å
136	T	96.1	Very high	97	Very high	35 Å²	35	30.3 Å²	30.3	22%	0.215	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.5	-19.1	174	56.5	0	0	0	0	114.1	S134 Y138 G139 Y159 G160	S134-T136 VanDerWaalsContact CB-OG1 3.29Å; S134-T136 WeakPolarHBondContact CB-OG1 3.46Å; S134-T136 PolarHBondContact O-N 3.02Å; S134-T136 WeakPolarHBondContact OG-CG2 3.43Å; S134-T136 PolarHBondContact OG-N 3.27Å; S134-T136 VanDerWaalsContact OG-N 3.15Å; S134-T136 PolarHBondContact OG-OG1 2.91Å; T136-Y138 PolarHBondContact O-N 3.48Å; T136-G139 PolarHBondContact O-N 3.5Å; T136-Y159 HydrophobicContact CG2-CD1 4.29Å; T136-Y159 HydrophobicContact CG2-CE1 4.05Å; T136-G160 WeakPolarHBondContact OG1-CA 3.42Å
137	V	97.9	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-67	-22.2	175.7	-56.6	0	0	0	0	112.9	S134 A135 G139 V152 G153 K163 R186	S134-V137 WeakPolarHBondContact O-CG1 3.35Å; S134-V137 VanDerWaalsContact O-CG2 3.23Å; S134-V137 WeakPolarHBondContact O-CG2 3.26Å; S134-V137 PolarHBondContact O-N 3.2Å; S134-V137 VanDerWaalsContact O-N 3.1Å; A135-V137 PolarHBondContact O-N 3.24Å; A135-V137 VanDerWaalsContact O-N 3.15Å; V137-G139 VanDerWaalsContact C-N 3.28Å; V137-V152 HydrophobicContact CB-CG1 4.4Å; V137-V152 HydrophobicContact CG2-CB 4.47Å; V137-V152 HydrophobicContact CG2-CG1 3.84Å; V137-V152 CarbonylContact O-C 3.49Å; V137-V152 VanDerWaalsContact O-CA 3.27Å; V137-V152 WeakPolarHBondContact O-CA 3.33Å; V137-V152 WeakPolarHBondContact O-CB 3.39Å; V137-G153 PolarHBondContact O-N 2.89Å; V137-K163 HydrophobicContact CG1-CB 3.73Å; V137-R186 HydrophobicContact CG2-CG 4.23Å
138	Y	97.3	Very high	97	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.012	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-75	-16.4	176	-62.4	-64.9	0	0	0	113	A135 T136 I146 D147 H150 V152 R186 N270	A135-Y138 HydrophobicContact CB-CD2 4.23Å; A135-Y138 WeakPolarHBondContact O-CB 3.38Å; A135-Y138 VanDerWaalsContact O-CD2 3.26Å; A135-Y138 WeakPolarHBondContact O-CD2 3.49Å; A135-Y138 PolarHBondContact O-N 2.94Å; A135-Y138 VanDerWaalsContact O-N 3.12Å; T136-Y138 PolarHBondContact O-N 3.48Å; Y138-I146 HydrophobicContact CD1-CG2 3.79Å; Y138-I146 HydrophobicContact CD2-CD1 4.47Å; Y138-I146 HydrophobicContact CD2-CG2 3.63Å; Y138-I146 HydrophobicContact CE1-CG2 3.82Å; Y138-I146 HydrophobicContact CE2-CG2 3.67Å; Y138-I146 HydrophobicContact CG-CG2 3.7Å; Y138-D147 PolarHBondContact OH-O 3.23Å; Y138-H150 HydrophobicContact CD1-CB 3.8Å; Y138-H150 AromaticContact CD1-CG 3.98Å; Y138-H150 AromaticContact CD1-ND1 3.71Å; Y138-H150 HydrophobicContact CE1-CB 3.84Å; Y138-V152 HydrophobicContact CD1-CG1 3.58Å; Y138-V152 HydrophobicContact CE1-CG1 3.76Å; Y138-V152 HydrophobicContact CG-CG1 4.44Å; Y138-R186 HydrophobicContact CE2-CB 4.48Å; Y138-R186 WeakPolarHBondContact OH-CD 3.47Å; Y138-R186 PolarHBondContact OH-NH1 2.86Å; Y138-N270 WeakPolarHBondContact CE2-OD1 3.26Å; Y138-N270 PolarHBondContact OH-ND2 2.9Å; Y138-N270 PolarHBondContact OH-OD1 3.37Å
139	G	93.9	Very high	97	Very high	5 Å²	5	41.2 Å²	41.2	5%	0.052	20%	0.204	C	C	.	.			trans	67.7	-135.8	-176.4	0	0	0	0	0	112.3	T136 V137 P141 A154	T136-G139 PolarHBondContact O-N 3.5Å; V137-G139 VanDerWaalsContact C-N 3.28Å; G139-P141 WeakPolarHBondContact O-CD 3.27Å; G139-A154 VanDerWaalsContact CA-O 3.27Å; G139-A154 WeakPolarHBondContact CA-O 3.33Å
140	D	91.6	Very high	96.9	Very high	109 Å²	109	41.3 Å²	41.3	58%	0.583	20%	0.204	S	C	*	.	S	Bend	trans	-82.6	115.3	170.8	-165	13.3	0	0	0	109.7	Q142 I306	D140-Q142 PolarHBondContact O-N 3.04Å; D140-I306 HydrophobicContact CB-CG2 4.37Å
141	P	92.1	Very high	96.8	Very high	23 Å²	23	44.3 Å²	44.3	15%	0.149	22%	0.224	C	C	.	.			trans	-62.6	131.8	-173.9	-23.9	35.2	0	0	0	112.7	G139 L144 I146 I306	G139-P141 WeakPolarHBondContact O-CD 3.27Å; P141-L144 HydrophobicContact CB-CD2 4.09Å; P141-L144 HydrophobicContact CG-CD2 4.42Å; P141-I146 HydrophobicContact CB-CD1 3.86Å; P141-I146 HydrophobicContact CB-CG1 4.09Å; P141-I146 HydrophobicContact CG-CD1 3.53Å; P141-I146 HydrophobicContact CG-CG1 4.3Å; P141-I306 HydrophobicContact CG-CD1 4.04Å
142	Q	93.9	Very high	96.8	Very high	147 Å²	147	46.3 Å²	46.3	69%	0.687	24%	0.235	S	C	*	.	S	Bend	trans	-81.1	-23.5	175.9	-61.1	179.2	16.3	0	0	112.1	D140 H150	D140-Q142 PolarHBondContact O-N 3.04Å; Q142-H150 PolarHBondContact N-NE2 3.18Å
143	H	95.6	Very high	96.5	Very high	86 Å²	86	47.2 Å²	47.2	40%	0.398	25%	0.246	S	C	.	.	S	Bend	trans	-152.7	163.4	173.8	59.8	-88.6	0	0	0	110.4	P145 H150	H143-P145 PolarHBondContact CD2-O 3.39Å; H143-H150 AromaticContact CE1-CD2 3.34Å; H143-H150 PolarHBondContact CE1-CD2 2.67Å; H143-H150 AromaticContact ND1-CD2 3.63Å; H143-H150 AromaticContact NE2-CD2 3.75Å
144	L	96.8	Very high	96.2	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.335	28%	0.275	S	S	.	.	S	Bend	trans	-134.7	144.6	177.8	-65.8	166.7	0	0	0	109.1	P141 I146 Y310	P141-L144 HydrophobicContact CB-CD2 4.09Å; P141-L144 HydrophobicContact CG-CD2 4.42Å; L144-I146 HydrophobicContact CD2-CD1 4.2Å; L144-I146 HydrophobicContact CD2-CG1 3.78Å; L144-Y310 HydrophobicContact CB-CE1 4.02Å; L144-Y310 HydrophobicContact CB-CE2 3.96Å; L144-Y310 WeakPolarHBondContact CB-OH 3.36Å; L144-Y310 HydrophobicContact CD1-CD1 4.41Å; L144-Y310 HydrophobicContact CD1-CE1 3.72Å; L144-Y310 HydrophobicContact CD2-CD1 4.18Å; L144-Y310 HydrophobicContact CD2-CE1 4.14Å; L144-Y310 HydrophobicContact CG-CE1 4.18Å
145	P	98.2	Very high	95.9	Very high	55 Å²	55	50.7 Å²	50.7	36%	0.357	28%	0.275	S	S	.	.	S	Bend	cis	-64.4	159.9	-7.4	29.7	-35.7	0	0	0	112.9	H143 Y310 A311 D312	H143-P145 PolarHBondContact CD2-O 3.39Å; P145-Y310 HydrophobicContact CB-CD2 3.85Å; P145-Y310 HydrophobicContact CB-CE2 3.83Å; P145-A311 VanDerWaalsContact CB-O 3.25Å; P145-A311 WeakPolarHBondContact CB-O 3.37Å; P145-D312 HydrophobicContact CB-CB 4.05Å; P145-D312 HydrophobicContact CG-CB 4.12Å
146	I	98.4	Very high	95.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-88.8	113.8	-178.1	-53.2	174.6	0	0	0	109.8	Y138 P141 L144 H150 F188 N270 C309 Y310 D312	Y138-I146 HydrophobicContact CD1-CG2 3.79Å; Y138-I146 HydrophobicContact CD2-CD1 4.47Å; Y138-I146 HydrophobicContact CD2-CG2 3.63Å; Y138-I146 HydrophobicContact CE1-CG2 3.82Å; Y138-I146 HydrophobicContact CE2-CG2 3.67Å; Y138-I146 HydrophobicContact CG-CG2 3.7Å; P141-I146 HydrophobicContact CB-CD1 3.86Å; P141-I146 HydrophobicContact CB-CG1 4.09Å; P141-I146 HydrophobicContact CG-CD1 3.53Å; P141-I146 HydrophobicContact CG-CG1 4.3Å; L144-I146 HydrophobicContact CD2-CD1 4.2Å; L144-I146 HydrophobicContact CD2-CG1 3.78Å; I146-H150 HydrophobicContact CG2-CB 3.79Å; I146-F188 HydrophobicContact CB-CZ 4.33Å; I146-F188 HydrophobicContact CD1-CE1 4.29Å; I146-F188 HydrophobicContact CD1-CZ 4.49Å; I146-N270 PolarHBondContact O-ND2 2.87Å; I146-C309 HydrophobicContact CD1-CB 4.47Å; I146-C309 VanDerWaalsContact CD1-SG 3.56Å; I146-Y310 PolarHBondContact N-O 3.32Å; I146-D312 PolarHBondContact O-N 3.3Å
147	D	98.6	Very high	95.4	Very high	45 Å²	45	52.2 Å²	52.2	24%	0.241	28%	0.283	C	S	.	.			trans	-89.5	172.9	170	75.7	15.1	0	0	0	112.2	Y138 R149 H150 D312	Y138-D147 PolarHBondContact OH-O 3.23Å; D147-R149 PolarHBondContact O-N 2.99Å; D147-R149 WeakPolarHBondContact OD1-CA 3.21Å; D147-R149 WeakPolarHBondContact OD1-CB 3.42Å; D147-R149 PolarHBondContact OD1-N 3.33Å; D147-H150 VanDerWaalsContact O-CB 3.25Å; D147-H150 WeakPolarHBondContact O-CB 3.39Å; D147-H150 PolarHBondContact O-N 3.04Å; D147-H150 PolarHBondContact OD1-N 2.86Å; D147-D312 HydrophobicContact CB-CB 4.13Å
148	E	98.6	Very high	95.3	Very high	32 Å²	32	53 Å²	53	15%	0.15	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.2	179.9	-63.2	85.9	169.8	0	0	114.1	H150 V268 N270 L315	E148-H150 VanDerWaalsContact C-N 3.34Å; E148-V268 HydrophobicContact CG-CG1 4.39Å; E148-N270 HydrophobicContact CG-CB 4.46Å; E148-N270 WeakPolarHBondContact OE1-CB 3.18Å; E148-N270 PolarHBondContact OE1-N 3.15Å; E148-L315 HydrophobicContact CB-CD2 4.16Å; E148-L315 VanDerWaalsContact CD-CD2 3.49Å; E148-L315 HydrophobicContact CG-CD2 3.94Å; E148-L315 WeakPolarHBondContact OE2-CB 3.42Å; E148-L315 WeakPolarHBondContact OE2-CD2 3.43Å
149	R	97.8	Very high	95.3	Very high	228 Å²	228	54.2 Å²	54.2	86%	0.86	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.1	175.3	-59.5	177.9	178.9	-178.6	0.6	111.8	D147	D147-R149 PolarHBondContact O-N 2.99Å; D147-R149 WeakPolarHBondContact OD1-CA 3.21Å; D147-R149 WeakPolarHBondContact OD1-CB 3.42Å; D147-R149 PolarHBondContact OD1-N 3.33Å
150	H	97.8	Very high	95.5	Very high	5 Å²	5	54 Å²	54	2%	0.023	29%	0.29	C	S	.	.	S	Bend	trans	-52.4	136.5	174.5	-170.3	-69.8	0	0	0	110.5	Y138 Q142 H143 I146 D147 E148	Y138-H150 HydrophobicContact CD1-CB 3.8Å; Y138-H150 AromaticContact CD1-CG 3.98Å; Y138-H150 AromaticContact CD1-ND1 3.71Å; Y138-H150 HydrophobicContact CE1-CB 3.84Å; Q142-H150 PolarHBondContact N-NE2 3.18Å; H143-H150 AromaticContact CE1-CD2 3.34Å; H143-H150 PolarHBondContact CE1-CD2 2.67Å; H143-H150 AromaticContact ND1-CD2 3.63Å; H143-H150 AromaticContact NE2-CD2 3.75Å; I146-H150 HydrophobicContact CG2-CB 3.79Å; D147-H150 VanDerWaalsContact O-CB 3.25Å; D147-H150 WeakPolarHBondContact O-CB 3.39Å; D147-H150 PolarHBondContact O-N 3.04Å; D147-H150 PolarHBondContact OD1-N 2.86Å; E148-H150 VanDerWaalsContact C-N 3.34Å
151	P	97.1	Very high	95.8	Very high	65 Å²	65	52.7 Å²	52.7	42%	0.422	28%	0.28	S	S	.	.			trans	-52.9	144.2	176.7	-27.6	35	0	0	0	112.8
152	V	97.8	Very high	96.1	Very high	42 Å²	42	51.6 Å²	51.6	26%	0.255	27%	0.273	S	S	.	.			trans	-125.2	165.4	177.3	-66	0	0	0	0	111.4	V137 Y138 Y164	V137-V152 HydrophobicContact CB-CG1 4.4Å; V137-V152 HydrophobicContact CG2-CB 4.47Å; V137-V152 HydrophobicContact CG2-CG1 3.84Å; V137-V152 CarbonylContact O-C 3.49Å; V137-V152 VanDerWaalsContact O-CA 3.27Å; V137-V152 WeakPolarHBondContact O-CA 3.33Å; V137-V152 WeakPolarHBondContact O-CB 3.39Å; Y138-V152 HydrophobicContact CD1-CG1 3.58Å; Y138-V152 HydrophobicContact CE1-CG1 3.76Å; Y138-V152 HydrophobicContact CG-CG1 4.44Å; V152-Y164 HydrophobicContact CB-CD2 4.26Å; V152-Y164 HydrophobicContact CB-CE2 4.36Å; V152-Y164 HydrophobicContact CG2-CD2 4.1Å; V152-Y164 HydrophobicContact CG2-CE2 3.83Å
153	G	93.5	Very high	96.3	Very high	26 Å²	26	45 Å²	45	27%	0.268	24%	0.242	S	C	.	.			trans	99	-14.8	174.2	0	0	0	0	0	114.6	V137 C155	V137-G153 PolarHBondContact O-N 2.89Å; G153-C155 PolarHBondContact O-N 2.89Å
154	A	91.2	Very high	96.5	Very high	76 Å²	76	43.4 Å²	43.4	63%	0.628	23%	0.233	S	C	*	.			trans	-76.6	43	171.1	0	0	0	0	0	112.6	G139	G139-A154 VanDerWaalsContact CA-O 3.27Å; G139-A154 WeakPolarHBondContact CA-O 3.33Å
155	C	93.2	Very high	96.6	Very high	10 Å²	10	44.2 Å²	44.2	7%	0.068	23%	0.233	C	C	.	.			trans	-68.2	134.2	-172.3	-58.3	0	0	0	0	111.7	G153 N157 G160 K161	G153-C155 PolarHBondContact O-N 2.89Å; C155-N157 PolarHBondContact O-N 3.37Å; C155-G160 VanDerWaalsContact SG-C 3.52Å; C155-G160 PolarHBondContact SG-O 2.98Å; C155-K161 HydrophobicContact CB-CB 4.46Å; C155-K161 HydrophobicContact CB-CG 3.62Å
156	T	90.3	Very high	96.6	Very high	70 Å²	70	41.6 Å²	41.6	43%	0.429	22%	0.217	S	C	.	.	S	Bend	trans	-81.5	-11.2	-176.8	61.2	0	0	0	0	114.3	G304	T156-G304 PolarHBondContact OG1-O 3.16Å
157	N	92.4	Very high	96.6	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.027	22%	0.217	C	C	.	.	S	Bend	trans	-148.5	159.1	-173.6	60.9	83.1	0	0	0	112.4	V96 V100 C155 Y159 G160 K161	V96-N157 HydrophobicContact CG1-CB 3.93Å; V100-N157 HydrophobicContact CG2-CB 4.03Å; C155-N157 PolarHBondContact O-N 3.37Å; N157-Y159 PolarHBondContact O-N 2.94Å; N157-Y159 WeakPolarHBondContact OD1-CB 3.26Å; N157-Y159 PolarHBondContact OD1-N 3.15Å; N157-G160 PolarHBondContact O-N 2.65Å; N157-G160 PolarHBondContact OD1-N 3.41Å; N157-K161 WeakPolarHBondContact O-CG 3.26Å; N157-K161 PolarHBondContact O-N 3.24Å; N157-K161 VanDerWaalsContact O-N 3.08Å
158	P	96.4	Very high	96.6	Very high	17 Å²	17	42.5 Å²	42.5	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-37.5	-179.6	-29.4	40	0	0	0	114.7	S99 P103 Y107 K161 T162	S99-P158 WeakPolarHBondContact O-CB 3.09Å; S99-P158 WeakPolarHBondContact O-CG 3.36Å; P103-P158 HydrophobicContact CB-CB 4.04Å; P103-P158 HydrophobicContact CB-CG 3.85Å; Y107-P158 HydrophobicContact CE2-CB 4.34Å; P158-K161 PolarHBondContact O-N 3.49Å; P158-T162 WeakPolarHBondContact O-CG2 3.19Å; P158-T162 PolarHBondContact O-N 2.85Å
159	Y	96.8	Very high	96.6	Very high	28 Å²	28	43.6 Å²	43.6	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-51.7	174.4	163.5	-104.8	0	0	0	111.8	L93 K94 V96 S99 Y106 T136 N157 K161 T162 K163	L93-Y159 VanDerWaalsContact O-CD2 3.26Å; L93-Y159 WeakPolarHBondContact O-CD2 3.33Å; L93-Y159 WeakPolarHBondContact O-CE2 3.37Å; K94-Y159 HydrophobicContact CB-CE2 4.07Å; V96-Y159 HydrophobicContact CG2-CD1 3.89Å; S99-Y159 PolarHBondContact OG-N 3.45Å; Y106-Y159 HydrophobicContact CD1-CD2 4.34Å; Y106-Y159 HydrophobicContact CE1-CD2 4.19Å; Y106-Y159 HydrophobicContact CE1-CG 4.47Å; T136-Y159 HydrophobicContact CG2-CD1 4.29Å; T136-Y159 HydrophobicContact CG2-CE1 4.05Å; N157-Y159 PolarHBondContact O-N 2.94Å; N157-Y159 WeakPolarHBondContact OD1-CB 3.26Å; N157-Y159 PolarHBondContact OD1-N 3.15Å; Y159-K161 VanDerWaalsContact C-N 3.3Å; Y159-K161 PolarHBondContact O-N 3.03Å; Y159-T162 PolarHBondContact O-N 3.44Å; Y159-T162 VanDerWaalsContact O-N 3.09Å; Y159-T162 PolarHBondContact O-OG1 3.18Å; Y159-K163 HydrophobicContact CE2-CD 4.43Å; Y159-K163 HydrophobicContact CE2-CG 4.03Å; Y159-K163 PolarHBondContact O-N 3.09Å
160	G	96.7	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-41.9	176.8	0	0	0	0	0	112.2	T136 C155 N157 T162 K163 Y164	T136-G160 WeakPolarHBondContact OG1-CA 3.42Å; C155-G160 VanDerWaalsContact SG-C 3.52Å; C155-G160 PolarHBondContact SG-O 2.98Å; N157-G160 PolarHBondContact O-N 2.65Å; N157-G160 PolarHBondContact OD1-N 3.41Å; G160-T162 VanDerWaalsContact C-N 3.33Å; G160-T162 PolarHBondContact O-N 3.39Å; G160-K163 PolarHBondContact O-N 2.91Å; G160-K163 VanDerWaalsContact O-N 3.17Å; G160-Y164 PolarHBondContact O-N 3.07Å
161	K	98	Very high	96.7	Very high	82 Å²	82	35.2 Å²	35.2	36%	0.357	20%	0.195	S	C	.	.	H	α-helix	trans	-59.2	-41.5	174.4	-70.2	-178.5	-177.4	-178.2	0	112.3	Y107 C155 N157 P158 Y159 K163 Y164 F165	Y107-K161 HydrophobicContact CE1-CB 4.18Å; Y107-K161 WeakPolarHBondContact OH-CD 3.19Å; C155-K161 HydrophobicContact CB-CB 4.46Å; C155-K161 HydrophobicContact CB-CG 3.62Å; N157-K161 WeakPolarHBondContact O-CG 3.26Å; N157-K161 PolarHBondContact O-N 3.24Å; N157-K161 VanDerWaalsContact O-N 3.08Å; P158-K161 PolarHBondContact O-N 3.49Å; Y159-K161 VanDerWaalsContact C-N 3.3Å; Y159-K161 PolarHBondContact O-N 3.03Å; K161-K163 VanDerWaalsContact C-N 3.34Å; K161-K163 PolarHBondContact O-N 2.89Å; K161-Y164 PolarHBondContact O-N 2.65Å; K161-F165 HydrophobicContact CB-CE2 4.08Å; K161-F165 HydrophobicContact CB-CZ 4.39Å; K161-F165 WeakPolarHBondContact O-CB 3.27Å; K161-F165 VanDerWaalsContact O-CD2 3.26Å; K161-F165 WeakPolarHBondContact O-CD2 3.34Å; K161-F165 WeakPolarHBondContact O-CG 3.47Å; K161-F165 PolarHBondContact O-N 3.04Å
162	T	98.7	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-42.1	176.5	65.3	0	0	0	0	112	Y107 N110 L111 P158 Y159 G160 F165 I166	Y107-T162 HydrophobicContact CD1-CG2 3.55Å; Y107-T162 HydrophobicContact CE1-CG2 3.91Å; Y107-T162 HydrophobicContact CG-CG2 4.37Å; N110-T162 HydrophobicContact CB-CG2 4Å; N110-T162 PolarHBondContact ND2-OG1 2.9Å; L111-T162 HydrophobicContact CD2-CG2 4.43Å; L111-T162 HydrophobicContact CG-CG2 4.44Å; P158-T162 WeakPolarHBondContact O-CG2 3.19Å; P158-T162 PolarHBondContact O-N 2.85Å; Y159-T162 PolarHBondContact O-N 3.44Å; Y159-T162 VanDerWaalsContact O-N 3.09Å; Y159-T162 PolarHBondContact O-OG1 3.18Å; G160-T162 VanDerWaalsContact C-N 3.33Å; G160-T162 PolarHBondContact O-N 3.39Å; T162-F165 PolarHBondContact O-N 3.47Å; T162-I166 VanDerWaalsContact O-CD1 3.27Å; T162-I166 WeakPolarHBondContact O-CD1 3.01Å; T162-I166 WeakPolarHBondContact O-CG1 3.46Å; T162-I166 PolarHBondContact O-N 2.82Å
163	K	98.7	Very high	96.8	Very high	10 Å²	10	37 Å²	37	4%	0.043	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-44.9	177.5	-66.8	-57.1	-172.4	178	0	111.5	F131 S132 V137 Y159 G160 K161 I166 E167	F131-K163 HydrophobicContact CE1-CD 4.26Å; F131-K163 HydrophobicContact CZ-CD 3.78Å; S132-K163 WeakPolarHBondContact O-CD 3.35Å; S132-K163 VanDerWaalsContact O-CE 3.27Å; S132-K163 WeakPolarHBondContact O-CE 3.35Å; S132-K163 PolarHBondContact O-NZ 3.32Å; V137-K163 HydrophobicContact CG1-CB 3.73Å; Y159-K163 HydrophobicContact CE2-CD 4.43Å; Y159-K163 HydrophobicContact CE2-CG 4.03Å; Y159-K163 PolarHBondContact O-N 3.09Å; G160-K163 PolarHBondContact O-N 2.91Å; G160-K163 VanDerWaalsContact O-N 3.17Å; K161-K163 VanDerWaalsContact C-N 3.34Å; K161-K163 PolarHBondContact O-N 2.89Å; K163-I166 PolarHBondContact O-N 3.18Å; K163-E167 WeakPolarHBondContact O-CG 3.48Å; K163-E167 PolarHBondContact O-N 2.85Å
164	Y	98.8	Very high	97.1	Very high	51 Å²	51	36.3 Å²	36.3	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-49.2	175.1	170.6	-111.2	0	0	0	112.4	V152 G160 K161 I166 E167 E168	V152-Y164 HydrophobicContact CB-CD2 4.26Å; V152-Y164 HydrophobicContact CB-CE2 4.36Å; V152-Y164 HydrophobicContact CG2-CD2 4.1Å; V152-Y164 HydrophobicContact CG2-CE2 3.83Å; G160-Y164 PolarHBondContact O-N 3.07Å; K161-Y164 PolarHBondContact O-N 2.65Å; Y164-I166 VanDerWaalsContact C-N 3.31Å; Y164-I166 PolarHBondContact O-N 3.36Å; Y164-E167 WeakPolarHBondContact O-CB 3.33Å; Y164-E167 PolarHBondContact O-N 3.25Å; Y164-E167 VanDerWaalsContact O-N 3.13Å; Y164-E168 HydrophobicContact CD2-CG 4.27Å; Y164-E168 HydrophobicContact CE1-CG 4.19Å; Y164-E168 HydrophobicContact CE2-CG 3.72Å; Y164-E168 PolarHBondContact O-N 3.3Å
165	F	98.9	Very high	97.4	Very high	81 Å²	81	39.9 Å²	39.9	36%	0.355	19%	0.191	S	C	.	.	H	α-helix	trans	-62.6	-36.7	179.3	-63.7	-29.3	0	0	0	112.8	Y107 L111 K161 T162 E168 M169	Y107-F165 HydrophobicContact CE1-CD2 4.26Å; Y107-F165 AromaticContact CE1-CE2 3.96Å; Y107-F165 HydrophobicContact CE1-CE2 3.96Å; L111-F165 HydrophobicContact CD1-CD2 4.26Å; L111-F165 HydrophobicContact CD2-CB 3.9Å; K161-F165 HydrophobicContact CB-CE2 4.08Å; K161-F165 HydrophobicContact CB-CZ 4.39Å; K161-F165 WeakPolarHBondContact O-CB 3.27Å; K161-F165 VanDerWaalsContact O-CD2 3.26Å; K161-F165 WeakPolarHBondContact O-CD2 3.34Å; K161-F165 WeakPolarHBondContact O-CG 3.47Å; K161-F165 PolarHBondContact O-N 3.04Å; T162-F165 PolarHBondContact O-N 3.47Å; F165-E168 PolarHBondContact O-N 3.13Å; F165-M169 VanDerWaalsContact O-CG 3.23Å; F165-M169 WeakPolarHBondContact O-CG 3.26Å; F165-M169 PolarHBondContact O-N 2.77Å
166	I	98.9	Very high	97.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-39.6	175	-63.2	157.7	0	0	0	110.9	N110 L111 S114 F131 T162 K163 Y164 E168 M169 I170	N110-I166 HydrophobicContact CB-CD1 4.19Å; N110-I166 WeakPolarHBondContact O-CD1 3.5Å; L111-I166 HydrophobicContact CD2-CD1 4.18Å; L111-I166 HydrophobicContact CD2-CG1 3.7Å; S114-I166 VanDerWaalsContact OG-CD1 3.32Å; S114-I166 WeakPolarHBondContact OG-CD1 3.44Å; F131-I166 HydrophobicContact CD1-CG2 4.27Å; F131-I166 HydrophobicContact CD2-CG2 4.04Å; F131-I166 HydrophobicContact CE1-CB 4.03Å; F131-I166 HydrophobicContact CE1-CG2 3.71Å; F131-I166 HydrophobicContact CE2-CB 4.26Å; F131-I166 HydrophobicContact CE2-CD1 4.2Å; F131-I166 HydrophobicContact CE2-CG2 3.46Å; F131-I166 VanDerWaalsContact CE2-CG2 3.46Å; F131-I166 HydrophobicContact CG-CG2 4.41Å; F131-I166 HydrophobicContact CZ-CB 3.62Å; F131-I166 HydrophobicContact CZ-CD1 3.8Å; F131-I166 HydrophobicContact CZ-CG1 4.31Å; F131-I166 HydrophobicContact CZ-CG2 3.27Å; T162-I166 VanDerWaalsContact O-CD1 3.27Å; T162-I166 WeakPolarHBondContact O-CD1 3.01Å; T162-I166 WeakPolarHBondContact O-CG1 3.46Å; T162-I166 PolarHBondContact O-N 2.82Å; K163-I166 PolarHBondContact O-N 3.18Å; Y164-I166 VanDerWaalsContact C-N 3.31Å; Y164-I166 PolarHBondContact O-N 3.36Å; I166-E168 VanDerWaalsContact C-N 3.33Å; I166-E168 PolarHBondContact O-N 3.5Å; I166-M169 PolarHBondContact O-N 2.79Å; I166-I170 HydrophobicContact CG2-CD1 3.68Å; I166-I170 HydrophobicContact CG2-CG1 4.27Å; I166-I170 VanDerWaalsContact O-CG1 3.26Å; I166-I170 WeakPolarHBondContact O-CG1 3.27Å; I166-I170 PolarHBondContact O-N 2.99Å
167	E	98.9	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-45.2	172.9	-68.9	-165.1	180	0	0	111.8	F131 S133 K163 Y164 I170 K171 L184 R186	F131-E167 HydrophobicContact CE1-CG 4.43Å; S133-E167 VanDerWaalsContact CB-OE1 3.28Å; S133-E167 WeakPolarHBondContact CB-OE1 3.09Å; S133-E167 PolarHBondContact OG-OE1 2.83Å; K163-E167 WeakPolarHBondContact O-CG 3.48Å; K163-E167 PolarHBondContact O-N 2.85Å; Y164-E167 WeakPolarHBondContact O-CB 3.33Å; Y164-E167 PolarHBondContact O-N 3.25Å; Y164-E167 VanDerWaalsContact O-N 3.13Å; E167-I170 PolarHBondContact O-N 3.41Å; E167-K171 WeakPolarHBondContact O-CB 3.36Å; E167-K171 VanDerWaalsContact O-CG 3.26Å; E167-K171 WeakPolarHBondContact O-CG 3.47Å; E167-K171 PolarHBondContact O-N 2.85Å; E167-K171 IonicContact OE2-NZ 2.71Å; E167-L184 HydrophobicContact CB-CD1 3.93Å; E167-L184 HydrophobicContact CG-CD1 3.92Å; E167-R186 WeakPolarHBondContact OE1-CG 3.25Å; E167-R186 IonicContact OE1-CZ 3.97Å; E167-R186 IonicContact OE1-NE 3.86Å; E167-R186 PolarHBondContact OE1-NE 2.94Å; E167-R186 IonicContact OE1-NH2 2.85Å; E167-R186 IonicContact OE2-CZ 3.41Å; E167-R186 IonicContact OE2-NE 2.98Å; E167-R186 PolarHBondContact OE2-NE 2.86Å; E167-R186 IonicContact OE2-NH2 3.21Å; E167-R186 PolarHBondContact OE2-NH2 2.91Å
168	E	98.9	Very high	97.9	Very high	63 Å²	63	50.9 Å²	50.9	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-44.8	178.8	-66.2	-59.6	100.5	0	0	111.5	Y164 F165 I166 I170 K171 D172	Y164-E168 HydrophobicContact CD2-CG 4.27Å; Y164-E168 HydrophobicContact CE1-CG 4.19Å; Y164-E168 HydrophobicContact CE2-CG 3.72Å; Y164-E168 PolarHBondContact O-N 3.3Å; F165-E168 PolarHBondContact O-N 3.13Å; I166-E168 VanDerWaalsContact C-N 3.33Å; I166-E168 PolarHBondContact O-N 3.5Å; E168-I170 VanDerWaalsContact C-N 3.33Å; E168-I170 PolarHBondContact O-N 2.96Å; E168-K171 PolarHBondContact O-N 3.27Å; E168-K171 WeakPolarHBondContact OE1-CD 3.43Å; E168-K171 IonicContact OE1-NZ 2.66Å; E168-K171 PolarHBondContact OE1-NZ 3.5Å; E168-D172 WeakPolarHBondContact O-CB 3.28Å; E168-D172 PolarHBondContact O-N 3Å
169	M	98.8	Very high	97.9	Very high	55 Å²	55	53.9 Å²	53.9	27%	0.271	26%	0.257	S	S	.	.	H	α-helix	trans	-58.2	-43.3	174.9	-69.6	163.7	49	0	0	112.3	M115 F165 I166 H173	M115-M169 HydrophobicContact CB-CE 4.39Å; M115-M169 HydrophobicContact CG-CE 3.22Å; M115-M169 HydrophobicContact CG-SD 4.41Å; M115-M169 HydrophobicContact SD-CE 4.22Å; F165-M169 VanDerWaalsContact O-CG 3.23Å; F165-M169 WeakPolarHBondContact O-CG 3.26Å; F165-M169 PolarHBondContact O-N 2.77Å; I166-M169 PolarHBondContact O-N 2.79Å; M169-H173 WeakPolarHBondContact O-CB 3.48Å; M169-H173 PolarHBondContact O-N 3.4Å
170	I	98.9	Very high	98	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-41.5	178.8	-66.3	164.3	0	0	0	111	M118 L129 F131 I166 E167 E168 H173 C174 A182 L184	M118-I170 HydrophobicContact CE-CG1 4.01Å; M118-I170 HydrophobicContact SD-CG1 3.71Å; L129-I170 HydrophobicContact CD2-CD1 3.76Å; L129-I170 HydrophobicContact CD2-CG1 4.08Å; F131-I170 HydrophobicContact CB-CD1 3.85Å; F131-I170 HydrophobicContact CD1-CD1 4.01Å; F131-I170 HydrophobicContact CD2-CD1 4.23Å; F131-I170 HydrophobicContact CG-CD1 3.75Å; I166-I170 HydrophobicContact CG2-CD1 3.68Å; I166-I170 HydrophobicContact CG2-CG1 4.27Å; I166-I170 VanDerWaalsContact O-CG1 3.26Å; I166-I170 WeakPolarHBondContact O-CG1 3.27Å; I166-I170 PolarHBondContact O-N 2.99Å; E167-I170 PolarHBondContact O-N 3.41Å; E168-I170 VanDerWaalsContact C-N 3.33Å; E168-I170 PolarHBondContact O-N 2.96Å; I170-H173 PolarHBondContact O-N 3.45Å; I170-C174 WeakPolarHBondContact O-CB 3.35Å; I170-C174 PolarHBondContact O-N 2.77Å; I170-C174 PolarHBondContact O-SG 3.14Å; I170-A182 HydrophobicContact CG2-CB 3.38Å; I170-L184 HydrophobicContact CB-CD2 4.17Å; I170-L184 HydrophobicContact CD1-CD2 3.66Å; I170-L184 HydrophobicContact CG2-CD2 3.85Å
171	K	98.7	Very high	98.1	Very high	56 Å²	56	52.9 Å²	52.9	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-46.1	176.4	-73.1	168.8	-164.8	162.7	0	111.5	E167 E168 H173 C174 K175 L184	E167-K171 WeakPolarHBondContact O-CB 3.36Å; E167-K171 VanDerWaalsContact O-CG 3.26Å; E167-K171 WeakPolarHBondContact O-CG 3.47Å; E167-K171 PolarHBondContact O-N 2.85Å; E167-K171 IonicContact OE2-NZ 2.71Å; E168-K171 PolarHBondContact O-N 3.27Å; E168-K171 WeakPolarHBondContact OE1-CD 3.43Å; E168-K171 IonicContact OE1-NZ 2.66Å; E168-K171 PolarHBondContact OE1-NZ 3.5Å; K171-H173 VanDerWaalsContact C-N 3.33Å; K171-H173 PolarHBondContact O-N 2.93Å; K171-C174 PolarHBondContact O-N 3.36Å; K171-K175 VanDerWaalsContact O-CB 3.27Å; K171-K175 WeakPolarHBondContact O-CB 3.47Å; K171-K175 PolarHBondContact O-N 3.07Å; K171-L184 HydrophobicContact CG-CD1 4.36Å
172	D	98.7	Very high	98.1	Very high	103 Å²	103	49 Å²	49	55%	0.551	24%	0.236	S	C	*	.	H	α-helix	trans	-61.6	-43.4	177.3	-77.8	-20.4	0	0	0	111.1	E168 K175 S176	E168-D172 WeakPolarHBondContact O-CB 3.28Å; E168-D172 PolarHBondContact O-N 3Å; D172-K175 WeakPolarHBondContact O-CB 3.31Å; D172-K175 PolarHBondContact O-N 3.32Å; D172-S176 PolarHBondContact O-N 3.49Å; D172-S176 PolarHBondContact O-OG 2.92Å
173	H	98.4	Very high	98.1	Very high	42 Å²	42	49 Å²	49	19%	0.194	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-47.1	177.8	-167.3	73.7	0	0	0	112.8	M118 Q122 M169 I170 K171 K175 S176 E177 W180	M118-H173 HydrophobicContact CE-CB 3.6Å; Q122-H173 PolarHBondContact OE1-CE1 3.06Å; Q122-H173 PolarHBondContact OE1-NE2 3.4Å; Q122-H173 VanDerWaalsContact OE1-NE2 3.15Å; M169-H173 WeakPolarHBondContact O-CB 3.48Å; M169-H173 PolarHBondContact O-N 3.4Å; I170-H173 PolarHBondContact O-N 3.45Å; K171-H173 VanDerWaalsContact C-N 3.33Å; K171-H173 PolarHBondContact O-N 2.93Å; H173-K175 PolarHBondContact O-N 2.96Å; H173-S176 PolarHBondContact O-N 2.76Å; H173-S176 PolarHBondContact O-OG 2.99Å; H173-E177 PolarHBondContact O-N 2.75Å; H173-W180 AromaticContact CD2-CD2 3.36Å; H173-W180 AromaticContact CD2-CE2 3.52Å; H173-W180 AromaticContact CD2-CE3 3.65Å; H173-W180 AromaticContact CD2-CG 3.74Å; H173-W180 AromaticContact CD2-CZ2 3.9Å; H173-W180 AromaticContact CD2-NE1 3.93Å; H173-W180 AromaticContact NE2-CD1 3.72Å; H173-W180 AromaticContact NE2-CD2 3.47Å; H173-W180 AromaticContact NE2-CE2 3.07Å; H173-W180 AromaticContact NE2-CG 3.84Å; H173-W180 AromaticContact NE2-CH2 3.99Å; H173-W180 AromaticContact NE2-CZ2 3.37Å; H173-W180 WeakPolarHBondContact NE2-CZ2 3.17Å; H173-W180 AromaticContact NE2-NE1 3.24Å; H173-W180 PolarHBondContact NE2-NE1 2.87Å
174	C	98.3	Very high	98.1	Very high	12 Å²	12	48.5 Å²	48.5	8%	0.081	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-23.6	175.7	-61.7	0	0	0	0	112.4	I170 K171 W180 C266	I170-C174 WeakPolarHBondContact O-CB 3.35Å; I170-C174 PolarHBondContact O-N 2.77Å; I170-C174 PolarHBondContact O-SG 3.14Å; K171-C174 PolarHBondContact O-N 3.36Å; C174-W180 HydrophobicContact CB-CB 4.47Å; C174-C266 HydrophobicContact CB-CB 3.79Å
175	K	97.8	Very high	98.2	Very high	151 Å²	151	46.1 Å²	46.1	66%	0.657	23%	0.225	S	C	*	.	H	α-helix	trans	-73.5	-38.1	174.5	-175	-178.4	177.8	-176.3	0	111.1	K171 D172 H173 K178	K171-K175 VanDerWaalsContact O-CB 3.27Å; K171-K175 WeakPolarHBondContact O-CB 3.47Å; K171-K175 PolarHBondContact O-N 3.07Å; D172-K175 WeakPolarHBondContact O-CB 3.31Å; D172-K175 PolarHBondContact O-N 3.32Å; H173-K175 PolarHBondContact O-N 2.96Å; K175-K178 VanDerWaalsContact O-CE 3.32Å; K175-K178 WeakPolarHBondContact O-CE 3.47Å; K175-K178 PolarHBondContact O-NZ 2.95Å
176	S	97.6	Very high	98.2	Very high	75 Å²	75	42.5 Å²	42.5	52%	0.524	21%	0.209	S	C	.	.	H	α-helix	trans	-77.9	-47.8	176	55.5	0	0	0	0	112.7	D172 H173	D172-S176 PolarHBondContact O-N 3.49Å; D172-S176 PolarHBondContact O-OG 2.92Å; H173-S176 PolarHBondContact O-N 2.76Å; H173-S176 PolarHBondContact O-OG 2.99Å
177	E	96.4	Very high	98.1	Very high	77 Å²	77	43.1 Å²	43.1	36%	0.36	21%	0.211	S	C	.	.			trans	-99.8	101.5	-176.5	-57.1	-56.4	138.7	0	0	110.1	H173 D179 W180	H173-E177 PolarHBondContact O-N 2.75Å; E177-D179 VanDerWaalsContact C-N 3.26Å; E177-D179 PolarHBondContact O-N 3.01Å; E177-W180 HydrophobicContact CB-CB 4.5Å; E177-W180 HydrophobicContact CB-CG 4.18Å; E177-W180 WeakPolarHBondContact O-CB 3.42Å; E177-W180 PolarHBondContact O-N 3.49Å
178	K	93.9	Very high	98.1	Very high	164 Å²	164	43.6 Å²	43.6	71%	0.713	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.1	-169.4	-63.1	-56.3	-174.2	-166.6	0	115.3	K175 W180	K175-K178 VanDerWaalsContact O-CE 3.32Å; K175-K178 WeakPolarHBondContact O-CE 3.47Å; K175-K178 PolarHBondContact O-NZ 2.95Å; K178-W180 VanDerWaalsContact C-N 3.34Å
179	D	95.6	Very high	98	Very high	80 Å²	80	43.2 Å²	43.2	43%	0.428	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.5	176.2	62.3	-25	0	0	0	112.9	H127 E177	H127-D179 WeakPolarHBondContact CB-O 3.27Å; H127-D179 IonicContact CE1-OD2 2.69Å; H127-D179 PolarHBondContact CE1-OD2 3.4Å; H127-D179 IonicContact CG-OD2 3.58Å; H127-D179 IonicContact ND1-OD2 3.54Å; H127-D179 PolarHBondContact ND1-OD2 3.18Å; E177-D179 VanDerWaalsContact C-N 3.26Å; E177-D179 PolarHBondContact O-N 3.01Å
180	W	98.3	Very high	98	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.208	C	C	.	.			trans	-79.2	132.4	172.7	-85.1	66.8	0	0	0	113.1	M118 M121 Q122 H127 H173 C174 E177 K178	M118-W180 HydrophobicContact CB-CH2 4.39Å; M121-W180 HydrophobicContact CB-CH2 3.77Å; M121-W180 HydrophobicContact CB-CZ2 4.22Å; M121-W180 HydrophobicContact CE-CH2 4Å; M121-W180 HydrophobicContact CE-CZ3 3.97Å; M121-W180 HydrophobicContact SD-CH2 4.42Å; Q122-W180 HydrophobicContact CB-CZ2 4.04Å; H127-W180 HydrophobicContact CB-CD2 4.2Å; H127-W180 HydrophobicContact CB-CG 4.02Å; H127-W180 AromaticContact CD2-CD1 3.94Å; H127-W180 AromaticContact CD2-CE2 3.72Å; H127-W180 AromaticContact CD2-NE1 3.27Å; H127-W180 PolarHBondContact CD2-NE1 3.31Å; H127-W180 VanDerWaalsContact CD2-NE1 3.27Å; H127-W180 AromaticContact CG-CD1 3.83Å; H127-W180 AromaticContact CG-NE1 3.64Å; H127-W180 AromaticContact NE2-NE1 3.85Å; H127-W180 WeakPolarHBondContact O-CA 3.48Å; H173-W180 AromaticContact CD2-CD2 3.36Å; H173-W180 AromaticContact CD2-CE2 3.52Å; H173-W180 AromaticContact CD2-CE3 3.65Å; H173-W180 AromaticContact CD2-CG 3.74Å; H173-W180 AromaticContact CD2-CZ2 3.9Å; H173-W180 AromaticContact CD2-NE1 3.93Å; H173-W180 AromaticContact NE2-CD1 3.72Å; H173-W180 AromaticContact NE2-CD2 3.47Å; H173-W180 AromaticContact NE2-CE2 3.07Å; H173-W180 AromaticContact NE2-CG 3.84Å; H173-W180 AromaticContact NE2-CH2 3.99Å; H173-W180 AromaticContact NE2-CZ2 3.37Å; H173-W180 WeakPolarHBondContact NE2-CZ2 3.17Å; H173-W180 AromaticContact NE2-NE1 3.24Å; H173-W180 PolarHBondContact NE2-NE1 2.87Å; C174-W180 HydrophobicContact CB-CB 4.47Å; E177-W180 HydrophobicContact CB-CB 4.5Å; E177-W180 HydrophobicContact CB-CG 4.18Å; E177-W180 WeakPolarHBondContact O-CB 3.42Å; E177-W180 PolarHBondContact O-N 3.49Å; K178-W180 VanDerWaalsContact C-N 3.34Å
181	N	98.8	Very high	98	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.032	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.9	171.1	-55.6	-61.9	0	0	0	109	H127 N128 L129 L260 N263 C264 G265	H127-N181 PolarHBondContact O-N 2.78Å; H127-N181 VanDerWaalsContact O-O 3.12Å; N128-N181 WeakPolarHBondContact CA-O 3.43Å; N128-N181 WeakPolarHBondContact OD1-CB 3.31Å; N128-N181 PolarHBondContact OD1-ND2 3.06Å; N128-N181 VanDerWaalsContact OD1-ND2 3.09Å; L129-N181 PolarHBondContact N-O 2.96Å; N181-L260 VanDerWaalsContact C-CD2 3.46Å; N181-L260 HydrophobicContact CB-CB 4.49Å; N181-L260 HydrophobicContact CB-CD2 3.47Å; N181-L260 VanDerWaalsContact CB-CD2 3.47Å; N181-L260 WeakPolarHBondContact O-CD2 3.5Å; N181-N263 WeakPolarHBondContact OD1-CA 3.24Å; N181-C264 PolarHBondContact OD1-N 3.07Å; N181-C264 VanDerWaalsContact OD1-N 3.08Å; N181-G265 WeakPolarHBondContact CA-O 3.35Å; N181-G265 PolarHBondContact OD1-N 3.45Å
182	A	98.8	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.1	176.9	0	0	0	0	0	110.6	L129 I170 G265 C266 Q267	L129-A182 HydrophobicContact CB-CB 4.45Å; L129-A182 CarbonylContact O-C 3.16Å; L129-A182 VanDerWaalsContact O-CA 3.25Å; L129-A182 WeakPolarHBondContact O-CA 3.47Å; I170-A182 HydrophobicContact CG2-CB 3.38Å; A182-G265 PolarHBondContact N-O 3.29Å; A182-C266 CarbonylContact O-C 3.6Å; A182-C266 WeakPolarHBondContact O-CA 3.43Å; A182-Q267 PolarHBondContact O-N 3.24Å
183	V	98.9	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.1	169.3	-178.1	0	0	0	0	108.4	L129 V130 F131 L185 A256 K259 L260 Y269	L129-V183 PolarHBondContact O-N 3.24Å; V130-V183 WeakPolarHBondContact CA-O 3.49Å; F131-V183 PolarHBondContact N-O 3.39Å; V183-L185 HydrophobicContact CG1-CD2 3.51Å; V183-L185 HydrophobicContact CG1-CG 4Å; V183-A256 HydrophobicContact CB-CB 4.07Å; V183-A256 HydrophobicContact CG1-CB 3.74Å; V183-A256 HydrophobicContact CG2-CB 4.39Å; V183-K259 HydrophobicContact CG2-CB 4.39Å; V183-K259 HydrophobicContact CG2-CG 4.36Å; V183-L260 HydrophobicContact CG2-CD2 3.78Å; V183-L260 HydrophobicContact CG2-CG 4.01Å; V183-Y269 HydrophobicContact CG1-CD2 3.65Å; V183-Y269 HydrophobicContact CG1-CE2 3.93Å
184	L	98.9	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	105.1	178.1	-49.4	-177	0	0	0	108.5	F131 E167 I170 K171 Q267 V268 Y269	F131-L184 HydrophobicContact CB-CD2 3.79Å; F131-L184 HydrophobicContact CD1-CD2 4.02Å; F131-L184 HydrophobicContact CG-CD2 4.32Å; E167-L184 HydrophobicContact CB-CD1 3.93Å; E167-L184 HydrophobicContact CG-CD1 3.92Å; I170-L184 HydrophobicContact CB-CD2 4.17Å; I170-L184 HydrophobicContact CD1-CD2 3.66Å; I170-L184 HydrophobicContact CG2-CD2 3.85Å; K171-L184 HydrophobicContact CG-CD1 4.36Å; L184-Q267 PolarHBondContact N-O 3.1Å; L184-V268 HydrophobicContact CB-CG1 4.45Å; L184-V268 HydrophobicContact CB-CG2 4.16Å; L184-V268 HydrophobicContact CD1-CG2 3.98Å; L184-V268 HydrophobicContact CG-CG2 4.38Å; L184-V268 WeakPolarHBondContact O-CA 3.47Å; L184-Y269 PolarHBondContact O-N 3.06Å
185	L	98.9	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.5	-177.8	-59.4	176.2	0	0	0	109.9	V130 F131 S133 V183 Y187 A256 Y269 L271	V130-L185 HydrophobicContact CG1-CD1 3.44Å; V130-L185 VanDerWaalsContact CG1-CD1 3.44Å; V130-L185 HydrophobicContact CG1-CG 4.05Å; F131-L185 PolarHBondContact O-N 3.12Å; S133-L185 CarbonylContact C-O 3.59Å; S133-L185 VanDerWaalsContact C-O 3.3Å; S133-L185 VanDerWaalsContact CA-O 3.26Å; S133-L185 WeakPolarHBondContact CA-O 3.22Å; S133-L185 WeakPolarHBondContact CB-O 3.22Å; S133-L185 PolarHBondContact N-O 3.42Å; V183-L185 HydrophobicContact CG1-CD2 3.51Å; V183-L185 HydrophobicContact CG1-CG 4Å; L185-Y187 HydrophobicContact CB-CD1 3.97Å; L185-Y187 HydrophobicContact CB-CE1 3.29Å; L185-Y187 HydrophobicContact CD1-CE1 4.11Å; L185-Y187 HydrophobicContact CG-CE1 4.35Å; L185-Y187 PolarHBondContact O-N 2.83Å; L185-A256 HydrophobicContact CD1-CB 4Å; L185-A256 HydrophobicContact CD2-CB 4.24Å; L185-A256 HydrophobicContact CG-CB 4.46Å; L185-Y269 HydrophobicContact CD2-CD2 4.32Å; L185-L271 HydrophobicContact CB-CD1 4.06Å; L185-L271 HydrophobicContact CB-CG 4.38Å; L185-L271 HydrophobicContact CD1-CD1 3.81Å; L185-L271 HydrophobicContact CD2-CD1 3.9Å; L185-L271 HydrophobicContact CD2-CD2 4.34Å; L185-L271 HydrophobicContact CD2-CG 4.11Å; L185-L271 HydrophobicContact CG-CD1 4.14Å
186	R	98.9	Very high	98.1	Very high	6 Å²	6	30 Å²	30	2%	0.023	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	96	177.7	-69.3	175.2	-179.2	165.3	0.7	109.2	V137 Y138 E167 V268 Y269 L271	V137-R186 HydrophobicContact CG2-CG 4.23Å; Y138-R186 HydrophobicContact CE2-CB 4.48Å; Y138-R186 WeakPolarHBondContact OH-CD 3.47Å; Y138-R186 PolarHBondContact OH-NH1 2.86Å; E167-R186 WeakPolarHBondContact OE1-CG 3.25Å; E167-R186 IonicContact OE1-CZ 3.97Å; E167-R186 IonicContact OE1-NE 3.86Å; E167-R186 PolarHBondContact OE1-NE 2.94Å; E167-R186 IonicContact OE1-NH2 2.85Å; E167-R186 IonicContact OE2-CZ 3.41Å; E167-R186 IonicContact OE2-NE 2.98Å; E167-R186 PolarHBondContact OE2-NE 2.86Å; E167-R186 IonicContact OE2-NH2 3.21Å; E167-R186 PolarHBondContact OE2-NH2 2.91Å; R186-V268 HydrophobicContact CG-CG1 4.3Å; R186-V268 VanDerWaalsContact CZ-CG1 3.49Å; R186-Y269 PolarHBondContact N-O 2.92Å; R186-L271 PolarHBondContact O-N 2.96Å
187	Y	98.6	Very high	98.1	Very high	14 Å²	14	26.4 Å²	26.4	6%	0.055	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141.6	179.4	-46.8	-28.9	0	0	0	111	I14 S132 A135 L185 L249 H253 L271	I14-Y187 HydrophobicContact CD1-CD2 3.99Å; I14-Y187 HydrophobicContact CD1-CE2 4.18Å; S132-Y187 WeakPolarHBondContact CA-OH 3.46Å; S132-Y187 VanDerWaalsContact CB-CE2 3.49Å; S132-Y187 WeakPolarHBondContact CB-OH 3.22Å; S132-Y187 PolarHBondContact OG-OH 3.2Å; A135-Y187 PolarHBondContact N-O 3.21Å; L185-Y187 HydrophobicContact CB-CD1 3.97Å; L185-Y187 HydrophobicContact CB-CE1 3.29Å; L185-Y187 HydrophobicContact CD1-CE1 4.11Å; L185-Y187 HydrophobicContact CG-CE1 4.35Å; L185-Y187 PolarHBondContact O-N 2.83Å; Y187-L249 HydrophobicContact CD1-CD1 3.47Å; Y187-L249 VanDerWaalsContact CD1-CD1 3.47Å; Y187-L249 HydrophobicContact CD1-CD2 4.22Å; Y187-L249 HydrophobicContact CD1-CG 4.33Å; Y187-L249 HydrophobicContact CD2-CD2 4.15Å; Y187-L249 HydrophobicContact CE1-CD1 3.85Å; Y187-L249 HydrophobicContact CE1-CG 4.49Å; Y187-L249 HydrophobicContact CG-CD1 4.02Å; Y187-L249 HydrophobicContact CG-CD2 3.99Å; Y187-H253 AromaticContact CE1-CE1 3.65Å; Y187-H253 AromaticContact CE1-NE2 3.91Å; Y187-H253 AromaticContact CZ-CE1 3.54Å; Y187-H253 AromaticContact CZ-NE2 3.44Å; Y187-H253 PolarHBondContact OH-CE1 2.9Å; Y187-H253 VanDerWaalsContact OH-CE1 3.27Å; Y187-H253 PolarHBondContact OH-NE2 2.97Å; Y187-L271 HydrophobicContact CD1-CB 4.35Å; Y187-L271 HydrophobicContact CD1-CD1 4.29Å; Y187-L271 HydrophobicContact CE1-CD1 4.15Å
188	F	97.9	Very high	98.1	Very high	10 Å²	10	26.3 Å²	26.3	4%	0.044	14%	0.136	C	C	.	.			trans	-84.2	-129.8	163.6	-75	-105	0	0	0	109.3	A135 I146 P190 D242 N270 L271 A311	A135-F188 HydrophobicContact CB-CD1 3.94Å; A135-F188 HydrophobicContact CB-CD2 4.19Å; A135-F188 HydrophobicContact CB-CE1 3.88Å; A135-F188 HydrophobicContact CB-CE2 4.09Å; A135-F188 HydrophobicContact CB-CG 4.11Å; A135-F188 HydrophobicContact CB-CZ 3.95Å; I146-F188 HydrophobicContact CB-CZ 4.33Å; I146-F188 HydrophobicContact CD1-CE1 4.29Å; I146-F188 HydrophobicContact CD1-CZ 4.49Å; F188-P190 WeakPolarHBondContact O-CD 3.32Å; F188-D242 HydrophobicContact CB-CB 4.02Å; F188-D242 WeakPolarHBondContact CB-O 3.23Å; F188-D242 HydrophobicContact CD1-CB 3.74Å; F188-D242 HydrophobicContact CG-CB 4.1Å; F188-N270 HydrophobicContact CE2-CB 3.9Å; F188-L271 PolarHBondContact N-O 3.46Å; F188-A311 HydrophobicContact CD1-CB 4.3Å; F188-A311 HydrophobicContact CD2-CB 3.73Å; F188-A311 HydrophobicContact CE1-CB 3.93Å; F188-A311 VanDerWaalsContact CE1-N 3.28Å; F188-A311 HydrophobicContact CE2-CB 3.35Å; F188-A311 HydrophobicContact CG-CB 4.21Å; F188-A311 HydrophobicContact CZ-CB 3.45Å; F188-A311 VanDerWaalsContact CZ-CB 3.45Å
189	N	98.1	Very high	98.4	Very high	55 Å²	55	18.5 Å²	18.5	29%	0.294	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	90.4	-172.4	-67.1	85.9	0	0	0	111.7	I191 R241 D242 Y243 I244	N189-I191 PolarHBondContact O-N 3.19Å; N189-R241 HydrophobicContact CB-CB 4.46Å; N189-D242 WeakPolarHBondContact CB-O 3.45Å; N189-D242 PolarHBondContact N-O 2.68Å; N189-Y243 HydrophobicContact CB-CD1 3.76Å; N189-Y243 HydrophobicContact CB-CE1 4.04Å; N189-Y243 HydrophobicContact CB-CG 4.47Å; N189-Y243 WeakPolarHBondContact O-CA 3.42Å; N189-I244 PolarHBondContact O-N 3.29Å
190	P	98.3	Very high	98.5	Very high	26 Å²	26	14.7 Å²	14.7	17%	0.169	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	133	179.3	23.9	-31.6	0	0	0	112.3	Y13 I14 F188 I244 L249	Y13-P190 HydrophobicContact CE1-CB 4.29Å; I14-P190 HydrophobicContact CD1-CB 4.48Å; I14-P190 HydrophobicContact CD1-CG 3.8Å; I14-P190 HydrophobicContact CG1-CG 4.25Å; F188-P190 WeakPolarHBondContact O-CD 3.32Å; P190-I244 CarbonylContact C-O 3.55Å; P190-I244 VanDerWaalsContact CA-O 3.27Å; P190-I244 WeakPolarHBondContact CA-O 3.37Å; P190-I244 HydrophobicContact CB-CG2 4.43Å; P190-L249 HydrophobicContact CB-CD2 3.76Å; P190-L249 HydrophobicContact CG-CD2 4.11Å
191	I	98.5	Very high	98.4	Very high	7 Å²	7	15.3 Å²	15.3	4%	0.036	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	178.9	176.7	67.5	161.9	0	0	0	110.6	Y13 N189 M211 Y243 I244 H245 V246 M282 M331	Y13-I191 VanDerWaalsContact OH-CA 3.28Å; Y13-I191 WeakPolarHBondContact OH-CA 3.14Å; Y13-I191 PolarHBondContact OH-O 2.86Å; N189-I191 PolarHBondContact O-N 3.19Å; I191-M211 HydrophobicContact CB-CB 4.4Å; I191-M211 HydrophobicContact CB-CG 4.12Å; I191-M211 HydrophobicContact CD1-CG 4.29Å; I191-M211 HydrophobicContact CG2-CB 3.91Å; I191-M211 HydrophobicContact CG2-CG 3.44Å; I191-M211 VanDerWaalsContact CG2-CG 3.44Å; I191-Y243 HydrophobicContact CD1-CD1 4.24Å; I191-Y243 HydrophobicContact CD1-CG 4.26Å; I191-Y243 HydrophobicContact CG2-CD1 3.61Å; I191-Y243 HydrophobicContact CG2-CE1 4.29Å; I191-I244 PolarHBondContact N-O 3.11Å; I191-H245 CarbonylContact O-C 3.54Å; I191-H245 WeakPolarHBondContact O-CA 3.38Å; I191-V246 PolarHBondContact O-N 3.38Å; I191-M282 HydrophobicContact CD1-CE 3.49Å; I191-M282 VanDerWaalsContact CD1-CE 3.49Å; I191-M331 HydrophobicContact CD1-CB 3.55Å; I191-M331 HydrophobicContact CD1-CG 4.09Å; I191-M331 HydrophobicContact CD1-SD 3.65Å; I191-M331 HydrophobicContact CG1-CB 3.82Å; I191-M331 HydrophobicContact CG1-CG 3.96Å; I191-M331 HydrophobicContact CG1-SD 3.59Å; I191-M331 VanDerWaalsContact CG1-SD 3.59Å
192	G	98.6	Very high	98.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.			trans	87.5	-167.1	-176.3	0	0	0	0	0	112.4	Y13 M331	Y13-G192 PolarHBondContact OH-N 3.01Å; Y13-G192 PolarHBondContact OH-O 3.15Å; G192-M331 WeakPolarHBondContact CA-O 3.36Å
193	A	98.8	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.			trans	-156.1	174.7	-180	0	0	0	0	0	109.6	I199 H245 D334 W338	A193-I199 WeakPolarHBondContact CB-O 2.93Å; A193-H245 PolarHBondContact O-CE1 2.93Å; A193-H245 VanDerWaalsContact O-CE1 3.24Å; A193-D334 WeakPolarHBondContact CB-O 3.37Å; A193-W338 HydrophobicContact CB-CB 3.5Å; A193-W338 HydrophobicContact CB-CG 4.1Å
194	H	98.8	Very high	96.7	Very high	22 Å²	22	20.3 Å²	20.3	10%	0.102	11%	0.11	C	C	.	.			trans	-64.5	140.1	170	-175.5	-91.5	0	0	0	109.7	H17 S196 G197 I199	H17-H194 PolarHBondContact NE2-N 3.23Å; H194-S196 WeakPolarHBondContact ND1-CB 3.32Å; H194-S196 PolarHBondContact ND1-N 2.72Å; H194-S196 VanDerWaalsContact ND1-N 3.15Å; H194-S196 PolarHBondContact ND1-OG 2.77Å; H194-S196 PolarHBondContact O-N 3.18Å; H194-G197 PolarHBondContact O-N 3.37Å; H194-I199 HydrophobicContact CB-CD1 3.98Å; H194-I199 HydrophobicContact CB-CG1 3.45Å; H194-I199 VanDerWaalsContact CB-CG1 3.45Å; H194-I199 PolarHBondContact N-O 3.07Å
195	S	98.5	Very high	95.9	Very high	54 Å²	54	21.8 Å²	21.8	38%	0.378	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24	-173.2	65.4	0	0	0	0	114.3	G197 R337	S195-G197 PolarHBondContact O-N 2.69Å; S195-R337 VanDerWaalsContact O-CD 3.31Å; S195-R337 WeakPolarHBondContact O-CD 3.48Å; S195-R337 PolarHBondContact O-NH1 3.25Å
196	S	98.4	Very high	95.2	Very high	33 Å²	33	27 Å²	27	23%	0.231	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17	174.3	69.6	0	0	0	0	114.6	H194 Q198	H194-S196 WeakPolarHBondContact ND1-CB 3.32Å; H194-S196 PolarHBondContact ND1-N 2.72Å; H194-S196 VanDerWaalsContact ND1-N 3.15Å; H194-S196 PolarHBondContact ND1-OG 2.77Å; H194-S196 PolarHBondContact O-N 3.18Å; S196-Q198 PolarHBondContact O-N 2.88Å; S196-Q198 WeakPolarHBondContact OG-CB 3.2Å; S196-Q198 PolarHBondContact OG-N 3.08Å
197	G	98.2	Very high	94.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	67.4	12.1	-171.2	0	0	0	0	0	113.9	H194 S195 N342	H194-G197 PolarHBondContact O-N 3.37Å; S195-G197 PolarHBondContact O-N 2.69Å; G197-N342 PolarHBondContact O-ND2 3.16Å
198	Q	97.5	Very high	94	Very high	74 Å²	74	30.7 Å²	30.7	35%	0.346	17%	0.174	S	C	.	.	S	Bend	trans	-89.4	-24.1	-179	-64.9	-64.7	-28.5	0	0	113.5	R53 S196 W338	R53-Q198 WeakPolarHBondContact CD-O 3.27Å; R53-Q198 PolarHBondContact NH1-O 2.93Å; S196-Q198 PolarHBondContact O-N 2.88Å; S196-Q198 WeakPolarHBondContact OG-CB 3.2Å; S196-Q198 PolarHBondContact OG-N 3.08Å; Q198-W338 VanDerWaalsContact O-CZ3 3.27Å; Q198-W338 WeakPolarHBondContact O-CZ3 3.22Å
199	I	98.2	Very high	93.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-133.7	147.8	173.7	62	170.5	0	0	0	109.3	V20 R53 I54 A193 H194 W338 F346	V20-I199 HydrophobicContact CG2-CD1 3.79Å; R53-I199 HydrophobicContact CB-CG2 3.98Å; I54-I199 HydrophobicContact CD1-CD1 4.07Å; I54-I199 HydrophobicContact CG1-CD1 3.96Å; I54-I199 HydrophobicContact CG1-CG2 4.18Å; A193-I199 WeakPolarHBondContact CB-O 2.93Å; H194-I199 HydrophobicContact CB-CD1 3.98Å; H194-I199 HydrophobicContact CB-CG1 3.45Å; H194-I199 VanDerWaalsContact CB-CG1 3.45Å; H194-I199 PolarHBondContact N-O 3.07Å; I199-W338 VanDerWaalsContact C-CE3 3.41Å; I199-F346 HydrophobicContact CB-CZ 4.33Å; I199-F346 HydrophobicContact CG2-CE1 4.31Å; I199-F346 HydrophobicContact CG2-CZ 4.37Å
200	G	97.9	Very high	93.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	18%	0.184	C	C	.	.			trans	-170.2	-168.3	179.6	0	0	0	0	0	110.8	D202	G200-D202 PolarHBondContact O-N 3.34Å
201	E	96.9	Very high	93.4	Very high	13 Å²	13	31.6 Å²	31.6	6%	0.061	18%	0.177	C	C	.	.			trans	-76.7	123.6	176.6	-164.8	167.1	-159.8	0	0	110.1	Y13 K94 N209 P212 W338	Y13-E201 HydrophobicContact CD1-CB 3.89Å; Y13-E201 HydrophobicContact CD1-CG 3.79Å; Y13-E201 HydrophobicContact CD2-CB 3.59Å; Y13-E201 HydrophobicContact CD2-CG 4.21Å; Y13-E201 HydrophobicContact CE1-CB 4.04Å; Y13-E201 HydrophobicContact CE1-CG 4.28Å; Y13-E201 HydrophobicContact CE2-CB 3.74Å; Y13-E201 HydrophobicContact CG-CB 3.66Å; Y13-E201 HydrophobicContact CG-CG 3.73Å; K94-E201 IonicContact NZ-OE1 2.67Å; K94-E201 PolarHBondContact NZ-OE1 3.38Å; E201-N209 PolarHBondContact OE1-ND2 3.06Å; E201-P212 HydrophobicContact CB-CG 4.26Å; E201-P212 HydrophobicContact CG-CG 4Å; E201-P212 WeakPolarHBondContact OE2-CG 3.46Å; E201-W338 PolarHBondContact O-NE1 3.07Å; E201-W338 VanDerWaalsContact O-NE1 3.1Å
202	D	93.5	Very high	93.3	Very high	18 Å²	18	31.4 Å²	31.4	10%	0.096	18%	0.177	C	C	.	.			trans	-127.8	77.3	175.7	-170.4	25.3	0	0	0	111.3	V39 G200 Q204 W338 G345 F346	V39-D202 WeakPolarHBondContact CG2-OD2 3.43Å; G200-D202 PolarHBondContact O-N 3.34Å; D202-Q204 PolarHBondContact O-N 3.39Å; D202-Q204 PolarHBondContact O-NE2 3.32Å; D202-Q204 VanDerWaalsContact O-NE2 3.16Å; D202-W338 HydrophobicContact CB-CZ2 4.26Å; D202-G345 WeakPolarHBondContact OD1-CA 3.32Å; D202-F346 HydrophobicContact CB-CD2 3.44Å; D202-F346 VanDerWaalsContact CB-CD2 3.44Å; D202-F346 HydrophobicContact CB-CE2 3.74Å; D202-F346 HydrophobicContact CB-CG 4.4Å; D202-F346 WeakPolarHBondContact OD2-CB 3.38Å; D202-F346 WeakPolarHBondContact OD2-CD2 3.47Å; D202-F346 PolarHBondContact OD2-N 3.42Å
203	P	84.8	Confident	93.2	Very high	18 Å²	18	33.3 Å²	33.3	12%	0.117	18%	0.184	C	C	.	.			trans	-67.4	133.9	-177.8	29.9	-33	0	0	0	110.3	G205 P207 P212	P203-G205 PolarHBondContact O-N 3.45Å; P203-P207 HydrophobicContact CB-CB 4.5Å; P203-P207 HydrophobicContact CG-CB 3.87Å; P203-P207 HydrophobicContact CG-CG 3.7Å; P203-P212 HydrophobicContact CG-CB 4.07Å
204	Q	82.1	Confident	93.1	Very high	76 Å²	76	33.3 Å²	33.3	36%	0.355	18%	0.184	S	C	.	.	S	Bend	trans	-74.3	121.3	174.4	-57.4	-54.7	-74.4	0	0	109.3	N37 D202	N37-Q204 PolarHBondContact OD1-N 3.48Å; N37-Q204 VanDerWaalsContact OD1-N 3.13Å; D202-Q204 PolarHBondContact O-N 3.39Å; D202-Q204 PolarHBondContact O-NE2 3.32Å; D202-Q204 VanDerWaalsContact O-NE2 3.16Å
205	G	82.6	Confident	93	Very high	31 Å²	31	32.2 Å²	32.2	32%	0.32	18%	0.179	S	C	.	.	S	Bend	trans	85	-144.6	-177.2	0	0	0	0	0	114.7	P203 P207	P203-G205 PolarHBondContact O-N 3.45Å; G205-P207 WeakPolarHBondContact O-CD 3.24Å
206	I	83.1	Confident	93	Very high	109 Å²	109	29.7 Å²	29.7	56%	0.559	16%	0.161	S	C	*	.	S	Bend	trans	-80.1	123.2	179.7	-57.4	-177.5	0	0	0	109.4	N208 Y213	I206-N208 PolarHBondContact O-N 3.34Å; I206-Y213 HydrophobicContact CG2-CD2 4.29Å; I206-Y213 HydrophobicContact CG2-CE2 3.71Å
207	P	86.6	Confident	92.9	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.052	15%	0.154	C	C	.	.			trans	-59.8	130.7	177.8	-19.6	28.1	0	0	0	112.3	P203 G205 P212 Y213	P203-P207 HydrophobicContact CB-CB 4.5Å; P203-P207 HydrophobicContact CG-CB 3.87Å; P203-P207 HydrophobicContact CG-CG 3.7Å; G205-P207 WeakPolarHBondContact O-CD 3.24Å; P207-P212 HydrophobicContact CB-CB 3.95Å; P207-P212 HydrophobicContact CG-CB 4.14Å; P207-Y213 HydrophobicContact CB-CD2 4.34Å; P207-Y213 HydrophobicContact CG-CD2 4.44Å
208	N	85.7	Confident	92.9	Very high	90 Å²	90	29.2 Å²	29.2	48%	0.481	16%	0.158	S	C	.	.	S	Bend	trans	-84.3	-21.4	171.7	-72.7	-67.3	0	0	0	113	A95 I206 R302	A95-N208 HydrophobicContact CB-CB 4.31Å; I206-N208 PolarHBondContact O-N 3.34Å; N208-R302 PolarHBondContact O-NH1 3.39Å; N208-R302 VanDerWaalsContact O-NH1 3.1Å
209	N	90.9	Very high	92.9	Very high	67 Å²	67	27.6 Å²	27.6	36%	0.358	15%	0.153	S	C	.	.	S	Bend	trans	-90.4	148.3	-179.8	-72.7	-12.1	0	0	0	111	K94 E201 P212	K94-N209 PolarHBondContact NZ-ND2 3.46Å; E201-N209 PolarHBondContact OE1-ND2 3.06Å; N209-P212 HydrophobicContact CB-CG 4.37Å
210	L	95.2	Very high	92.8	Very high	37 Å²	37	30.6 Å²	30.6	19%	0.194	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-56.6	-176.4	177.2	64.2	0	0	0	112.6	Y213 V214 L225 Y243 V279 M282	L210-Y213 WeakPolarHBondContact O-CB 3.3Å; L210-Y213 PolarHBondContact O-N 2.9Å; L210-Y213 VanDerWaalsContact O-N 3.11Å; L210-V214 HydrophobicContact CD1-CG2 3.81Å; L210-V214 HydrophobicContact CG-CG2 4.06Å; L210-V214 WeakPolarHBondContact O-CG2 3.43Å; L210-V214 PolarHBondContact O-N 2.85Å; L210-L225 HydrophobicContact CD1-CD1 3.85Å; L210-L225 HydrophobicContact CD1-CD2 3.95Å; L210-Y243 WeakPolarHBondContact CD2-OH 3.35Å; L210-V279 HydrophobicContact CD1-CG1 3.91Å; L210-V279 HydrophobicContact CD2-CB 4.43Å; L210-V279 HydrophobicContact CD2-CG1 4.15Å; L210-V279 HydrophobicContact CD2-CG2 4.24Å; L210-M282 HydrophobicContact CD2-CB 4.03Å; L210-M282 HydrophobicContact CD2-CG 4.16Å
211	M	97.4	Very high	92.6	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-69.9	-39.9	-164	-64.5	-49.4	-70.5	0	0	115.1	I191 Y213 V214 A215 Y243 M282 M286 L335	I191-M211 HydrophobicContact CB-CB 4.4Å; I191-M211 HydrophobicContact CB-CG 4.12Å; I191-M211 HydrophobicContact CD1-CG 4.29Å; I191-M211 HydrophobicContact CG2-CB 3.91Å; I191-M211 HydrophobicContact CG2-CG 3.44Å; I191-M211 VanDerWaalsContact CG2-CG 3.44Å; M211-Y213 PolarHBondContact O-N 3.44Å; M211-V214 PolarHBondContact O-N 2.99Å; M211-A215 WeakPolarHBondContact O-CB 3.05Å; M211-A215 PolarHBondContact O-N 3.3Å; M211-Y243 HydrophobicContact CG-CE1 4.34Å; M211-M282 HydrophobicContact CE-CB 4.48Å; M211-M282 HydrophobicContact CE-CE 3.64Å; M211-M282 HydrophobicContact CG-CE 4.18Å; M211-M282 HydrophobicContact SD-CB 3.81Å; M211-M282 HydrophobicContact SD-CE 3.54Å; M211-M282 VanDerWaalsContact SD-CE 3.54Å; M211-M282 HydrophobicContact SD-CG 4.26Å; M211-M286 HydrophobicContact CE-CG 3.26Å; M211-M286 HydrophobicContact CE-SD 3.68Å; M211-L335 HydrophobicContact CB-CD2 3.74Å; M211-L335 HydrophobicContact CE-CD2 3.89Å
212	P	94.7	Very high	92.5	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-32.2	171.2	-21.9	32.6	0	0	0	112.5	E201 P203 P207 N209 Q216	E201-P212 HydrophobicContact CB-CG 4.26Å; E201-P212 HydrophobicContact CG-CG 4Å; E201-P212 WeakPolarHBondContact OE2-CG 3.46Å; P203-P212 HydrophobicContact CG-CB 4.07Å; P207-P212 HydrophobicContact CB-CB 3.95Å; P207-P212 HydrophobicContact CG-CB 4.14Å; N209-P212 HydrophobicContact CB-CG 4.37Å; P212-Q216 WeakPolarHBondContact O-CB 3.35Å; P212-Q216 VanDerWaalsContact O-CG 3.28Å; P212-Q216 WeakPolarHBondContact O-CG 3.4Å; P212-Q216 PolarHBondContact O-N 3.44Å
213	Y	96.6	Very high	92.6	Very high	39 Å²	39	40 Å²	40	15%	0.153	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-47.6	174.8	-153.7	-65.7	0	0	0	110.9	I206 P207 L210 M211 A215 Q216 V217 R222 F224 L225	I206-Y213 HydrophobicContact CG2-CD2 4.29Å; I206-Y213 HydrophobicContact CG2-CE2 3.71Å; P207-Y213 HydrophobicContact CB-CD2 4.34Å; P207-Y213 HydrophobicContact CG-CD2 4.44Å; L210-Y213 WeakPolarHBondContact O-CB 3.3Å; L210-Y213 PolarHBondContact O-N 2.9Å; L210-Y213 VanDerWaalsContact O-N 3.11Å; M211-Y213 PolarHBondContact O-N 3.44Å; Y213-A215 VanDerWaalsContact C-N 3.31Å; Y213-A215 PolarHBondContact O-N 2.87Å; Y213-Q216 PolarHBondContact O-N 2.71Å; Y213-V217 HydrophobicContact CD1-CG2 4.02Å; Y213-V217 HydrophobicContact CE1-CG2 4.12Å; Y213-V217 WeakPolarHBondContact O-CG2 3.47Å; Y213-V217 PolarHBondContact O-N 3.45Å; Y213-R222 HydrophobicContact CE1-CB 4.21Å; Y213-R222 HydrophobicContact CE1-CG 4.38Å; Y213-F224 WeakPolarHBondContact CE1-O 3.43Å; Y213-L225 HydrophobicContact CD1-CD1 3.93Å; Y213-L225 HydrophobicContact CG-CD1 4.29Å
214	V	97.9	Very high	93.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-46.8	175	175.1	0	0	0	0	110.9	L210 M211 Q216 V217 A218 L225 M286 I294	L210-V214 HydrophobicContact CD1-CG2 3.81Å; L210-V214 HydrophobicContact CG-CG2 4.06Å; L210-V214 WeakPolarHBondContact O-CG2 3.43Å; L210-V214 PolarHBondContact O-N 2.85Å; M211-V214 PolarHBondContact O-N 2.99Å; V214-Q216 VanDerWaalsContact C-N 3.33Å; V214-Q216 PolarHBondContact O-N 2.75Å; V214-V217 WeakPolarHBondContact O-CB 3.25Å; V214-V217 PolarHBondContact O-N 3.38Å; V214-V217 VanDerWaalsContact O-N 3.16Å; V214-A218 PolarHBondContact O-N 3Å; V214-L225 HydrophobicContact CG2-CD1 4.23Å; V214-L225 HydrophobicContact CG2-CD2 3.86Å; V214-M286 HydrophobicContact CG1-CB 3.63Å; V214-M286 HydrophobicContact CG1-CG 3.66Å; V214-I294 HydrophobicContact CG1-CD1 4.32Å; V214-I294 HydrophobicContact CG1-CG1 4.22Å; V214-I294 HydrophobicContact CG1-CG2 4.02Å
215	A	97.2	Very high	94	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-39.2	179	0	0	0	0	0	111.8	M211 Y213 V217 A218 V219 M286 L335 Q339	M211-A215 WeakPolarHBondContact O-CB 3.05Å; M211-A215 PolarHBondContact O-N 3.3Å; Y213-A215 VanDerWaalsContact C-N 3.31Å; Y213-A215 PolarHBondContact O-N 2.87Å; A215-V217 PolarHBondContact O-N 3.44Å; A215-A218 VanDerWaalsContact O-CB 3.31Å; A215-A218 WeakPolarHBondContact O-CB 3.23Å; A215-A218 PolarHBondContact O-N 2.54Å; A215-V219 WeakPolarHBondContact O-CG2 3.44Å; A215-V219 PolarHBondContact O-N 2.88Å; A215-M286 HydrophobicContact CB-CE 4.31Å; A215-L335 HydrophobicContact CB-CD1 4.24Å; A215-L335 HydrophobicContact CB-CD2 4.29Å; A215-L335 HydrophobicContact CB-CG 4.17Å; A215-Q339 HydrophobicContact CB-CB 4.01Å; A215-Q339 HydrophobicContact CB-CG 3.72Å
216	Q	96.9	Very high	94.7	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-32.6	174.3	-75.5	-179	18.1	0	0	113.4	P212 Y213 V214 G220 R221 R222	P212-Q216 WeakPolarHBondContact O-CB 3.35Å; P212-Q216 VanDerWaalsContact O-CG 3.28Å; P212-Q216 WeakPolarHBondContact O-CG 3.4Å; P212-Q216 PolarHBondContact O-N 3.44Å; Y213-Q216 PolarHBondContact O-N 2.71Å; V214-Q216 VanDerWaalsContact C-N 3.33Å; V214-Q216 PolarHBondContact O-N 2.75Å; Q216-G220 PolarHBondContact O-N 2.99Å; Q216-R221 HydrophobicContact CB-CB 4.15Å; Q216-R221 WeakPolarHBondContact O-CB 3.26Å; Q216-R221 PolarHBondContact O-N 3.34Å; Q216-R222 HydrophobicContact CB-CG 4.14Å; Q216-R222 PolarHBondContact O-N 3.02Å; Q216-R222 VanDerWaalsContact OE1-NH2 3.09Å
217	V	97.8	Very high	95.4	Very high	12 Å²	12	34.5 Å²	34.5	7%	0.073	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-43.9	169.7	175.6	0	0	0	0	110.1	Y213 V214 A215 V219 G220 R222 L225 I294	Y213-V217 HydrophobicContact CD1-CG2 4.02Å; Y213-V217 HydrophobicContact CE1-CG2 4.12Å; Y213-V217 WeakPolarHBondContact O-CG2 3.47Å; Y213-V217 PolarHBondContact O-N 3.45Å; V214-V217 WeakPolarHBondContact O-CB 3.25Å; V214-V217 PolarHBondContact O-N 3.38Å; V214-V217 VanDerWaalsContact O-N 3.16Å; A215-V217 PolarHBondContact O-N 3.44Å; V217-V219 VanDerWaalsContact C-N 3.32Å; V217-V219 PolarHBondContact O-N 2.95Å; V217-G220 WeakPolarHBondContact O-CA 3.16Å; V217-G220 PolarHBondContact O-N 2.85Å; V217-R222 HydrophobicContact CG2-CB 3.81Å; V217-L225 HydrophobicContact CG2-CB 4.45Å; V217-I294 HydrophobicContact CB-CG2 4.48Å; V217-I294 HydrophobicContact CG1-CG2 4.13Å
218	A	97.5	Very high	95.8	Very high	10 Å²	10	38 Å²	38	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-39.7	179.9	0	0	0	0	0	113.2	V214 A215 G220 I294 W336	V214-A218 PolarHBondContact O-N 3Å; A215-A218 VanDerWaalsContact O-CB 3.31Å; A215-A218 WeakPolarHBondContact O-CB 3.23Å; A215-A218 PolarHBondContact O-N 2.54Å; A218-G220 VanDerWaalsContact C-N 3.29Å; A218-I294 HydrophobicContact CB-CD1 3.39Å; A218-W336 HydrophobicContact CB-CE3 4.17Å; A218-W336 HydrophobicContact CB-CH2 4.49Å; A218-W336 HydrophobicContact CB-CZ3 3.64Å
219	V	96.8	Very high	96.3	Very high	40 Å²	40	33.9 Å²	33.9	24%	0.242	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	4.6	174.7	-63.3	0	0	0	0	114.1	A215 V217 R221 W336 Q339	A215-V219 WeakPolarHBondContact O-CG2 3.44Å; A215-V219 PolarHBondContact O-N 2.88Å; V217-V219 VanDerWaalsContact C-N 3.32Å; V217-V219 PolarHBondContact O-N 2.95Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 HydrophobicContact CG2-CB 4.34Å; V219-R221 HydrophobicContact CG2-CG 4.05Å; V219-R221 PolarHBondContact O-N 3.34Å; V219-W336 HydrophobicContact CG1-CE3 4.48Å; V219-W336 HydrophobicContact CG1-CH2 3.89Å; V219-W336 HydrophobicContact CG1-CZ3 3.49Å; V219-W336 VanDerWaalsContact CG1-CZ3 3.49Å; V219-Q339 HydrophobicContact CB-CG 4.47Å; V219-Q339 HydrophobicContact CG1-CG 3.64Å; V219-Q339 HydrophobicContact CG2-CG 3.98Å
220	G	95.6	Very high	96.6	Very high	63 Å²	63	34.9 Å²	34.9	65%	0.649	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	10.9	176.2	0	0	0	0	0	115.4	Q216 V217 A218 R222	Q216-G220 PolarHBondContact O-N 2.99Å; V217-G220 WeakPolarHBondContact O-CA 3.16Å; V217-G220 PolarHBondContact O-N 2.85Å; A218-G220 VanDerWaalsContact C-N 3.29Å; G220-R222 PolarHBondContact O-N 3.32Å
221	R	93.9	Very high	96.7	Very high	89 Å²	89	37.8 Å²	37.8	34%	0.336	21%	0.207	S	C	.	.	S	Bend	trans	-70.8	-23.1	173.4	-80.1	176.4	60.7	-171.6	6.4	112.9	Q216 V219 P343	Q216-R221 HydrophobicContact CB-CB 4.15Å; Q216-R221 WeakPolarHBondContact O-CB 3.26Å; Q216-R221 PolarHBondContact O-N 3.34Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 HydrophobicContact CG2-CB 4.34Å; V219-R221 HydrophobicContact CG2-CG 4.05Å; V219-R221 PolarHBondContact O-N 3.34Å; R221-P343 WeakPolarHBondContact CD-O 3.44Å; R221-P343 PolarHBondContact NH1-O 3.34Å
222	R	94.9	Very high	96.6	Very high	45 Å²	45	38.4 Å²	38.4	17%	0.17	21%	0.209	C	C	.	.	S	Bend	trans	-131.6	144.3	178.9	-62.9	-170.1	-176.5	-77.3	-12.8	110.2	Y213 Q216 V217 G220	Y213-R222 HydrophobicContact CE1-CB 4.21Å; Y213-R222 HydrophobicContact CE1-CG 4.38Å; Q216-R222 HydrophobicContact CB-CG 4.14Å; Q216-R222 PolarHBondContact O-N 3.02Å; Q216-R222 VanDerWaalsContact OE1-NH2 3.09Å; V217-R222 HydrophobicContact CG2-CB 3.81Å; G220-R222 PolarHBondContact O-N 3.32Å
223	P	96.6	Very high	96.7	Very high	96 Å²	96	47.5 Å²	47.5	62%	0.623	25%	0.251	S	S	*	.	S	Bend	trans	-74.7	-32.4	-173.9	29.1	-35.5	0	0	0	113.3
224	F	97.8	Very high	96.7	Very high	57 Å²	57	47 Å²	47	25%	0.25	25%	0.253	C	S	.	.			trans	-163.4	158.7	179.8	57	-92.7	0	0	0	111.4	Y213 N226 K295 K297	Y213-F224 WeakPolarHBondContact CE1-O 3.43Å; F224-N226 WeakPolarHBondContact CE2-OD1 3.46Å; F224-K295 CarbonylContact C-O 3.3Å; F224-K295 WeakPolarHBondContact CA-O 3.28Å; F224-K295 HydrophobicContact CB-CB 4Å; F224-K295 WeakPolarHBondContact CB-O 3.36Å; F224-K297 HydrophobicContact CD2-CB 4.31Å; F224-K297 HydrophobicContact CD2-CD 3.95Å; F224-K297 HydrophobicContact CD2-CG 3.94Å; F224-K297 HydrophobicContact CE1-CD 4.4Å; F224-K297 HydrophobicContact CE2-CD 3.8Å; F224-K297 HydrophobicContact CE2-CG 4.26Å; F224-K297 HydrophobicContact CG-CD 4.33Å; F224-K297 HydrophobicContact CG-CG 4.31Å; F224-K297 HydrophobicContact CZ-CD 4.05Å
225	L	98	Very high	96.6	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	142	168.8	170.4	70.2	0	0	0	111	L210 Y213 V214 V217 V227 V279 V283 K295 Y296 K297	L210-L225 HydrophobicContact CD1-CD1 3.85Å; L210-L225 HydrophobicContact CD1-CD2 3.95Å; Y213-L225 HydrophobicContact CD1-CD1 3.93Å; Y213-L225 HydrophobicContact CG-CD1 4.29Å; V214-L225 HydrophobicContact CG2-CD1 4.23Å; V214-L225 HydrophobicContact CG2-CD2 3.86Å; V217-L225 HydrophobicContact CG2-CB 4.45Å; L225-V227 HydrophobicContact CD2-CG2 3.89Å; L225-V227 HydrophobicContact CG-CG2 4.25Å; L225-V279 HydrophobicContact CD2-CG1 4.46Å; L225-V283 HydrophobicContact CD2-CG2 3.64Å; L225-K295 PolarHBondContact N-O 2.85Å; L225-Y296 CarbonylContact O-C 3.59Å; L225-Y296 WeakPolarHBondContact O-CA 3.29Å; L225-Y296 WeakPolarHBondContact O-CB 2.84Å; L225-K297 PolarHBondContact O-N 3.15Å
226	N	96.8	Very high	96.6	Very high	55 Å²	55	55.1 Å²	55.1	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.6	163.7	-67.4	-65.1	0	0	0	109.6	F224 F228 A299	F224-N226 WeakPolarHBondContact CE2-OD1 3.46Å; N226-F228 HydrophobicContact CB-CE1 3.87Å; N226-F228 HydrophobicContact CB-CZ 3.96Å; N226-A299 HydrophobicContact CB-CB 4.21Å
227	V	97.6	Very high	96.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.3	174.1	176.7	0	0	0	0	107.9	L225 G229 T238 V279 L280 Y296 K297 I298 A299	L225-V227 HydrophobicContact CD2-CG2 3.89Å; L225-V227 HydrophobicContact CG-CG2 4.25Å; V227-G229 PolarHBondContact O-N 3.13Å; V227-T238 HydrophobicContact CG1-CG2 3.75Å; V227-V279 HydrophobicContact CB-CG1 4.46Å; V227-V279 HydrophobicContact CG1-CB 4.39Å; V227-V279 HydrophobicContact CG1-CG1 3.96Å; V227-V279 HydrophobicContact CG2-CG1 3.94Å; V227-L280 HydrophobicContact CG2-CD2 4.3Å; V227-Y296 HydrophobicContact CB-CD2 4.45Å; V227-Y296 HydrophobicContact CG2-CD2 3.61Å; V227-Y296 HydrophobicContact CG2-CE2 4.4Å; V227-Y296 HydrophobicContact CG2-CG 3.99Å; V227-K297 PolarHBondContact N-O 3.14Å; V227-I298 HydrophobicContact CB-CD1 3.9Å; V227-I298 HydrophobicContact CG1-CD1 3.95Å; V227-A299 PolarHBondContact O-N 2.96Å
228	F	95.9	Very high	96.7	Very high	82 Å²	82	55 Å²	55	36%	0.36	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	99.3	-173.4	-59.4	-61.9	0	0	0	111.8	N226 A299 P300 R302	N226-F228 HydrophobicContact CB-CE1 3.87Å; N226-F228 HydrophobicContact CB-CZ 3.96Å; F228-A299 HydrophobicContact CD1-CB 3.87Å; F228-A299 HydrophobicContact CE1-CB 4.19Å; F228-P300 WeakPolarHBondContact CA-O 3.48Å; F228-R302 HydrophobicContact CB-CB 4.03Å; F228-R302 HydrophobicContact CD1-CB 4.41Å; F228-R302 HydrophobicContact CD2-CB 4.33Å; F228-R302 HydrophobicContact CG-CB 4.02Å
229	G	96.3	Very high	96.7	Very high	3 Å²	3	54.9 Å²	54.9	3%	0.031	30%	0.301	C	S	.	.			trans	82.3	140.8	-177.2	0	0	0	0	0	113.6	V227 A299	V227-G229 PolarHBondContact O-N 3.13Å; G229-A299 PolarHBondContact N-O 3.37Å
230	N	97	Very high	96.8	Very high	88 Å²	88	53.6 Å²	53.6	47%	0.471	29%	0.293	S	S	.	.	S	Bend	trans	-139.3	21.8	177	71.1	-32.1	0	0	0	112.1	G237 T238 I298	N230-G237 CarbonylContact C-O 3.53Å; N230-G237 WeakPolarHBondContact CA-O 3.43Å; N230-G237 WeakPolarHBondContact O-CA 3.33Å; N230-T238 HydrophobicContact CB-CG2 4.41Å; N230-I298 HydrophobicContact CB-CD1 4.13Å; N230-I298 HydrophobicContact CB-CG1 4.4Å; N230-I298 HydrophobicContact CB-CG2 3.9Å
231	D	97.1	Very high	96.9	Very high	98 Å²	98	52.1 Å²	52.1	52%	0.524	27%	0.268	S	S	.	.			trans	-129.6	15.3	-173.5	63.8	-14.9	0	0	0	112	G237 R301	D231-G237 PolarHBondContact N-O 2.73Å; D231-R301 PolarHBondContact O-NH2 2.96Å; D231-R301 IonicContact OD1-CZ 2.71Å; D231-R301 VanDerWaalsContact OD1-CZ 3.22Å; D231-R301 IonicContact OD1-NE 2.77Å; D231-R301 PolarHBondContact OD1-NE 3.33Å; D231-R301 IonicContact OD1-NH2 3.06Å; D231-R301 PolarHBondContact OD1-NH2 3.42Å; D231-R301 IonicContact OD2-CZ 2.65Å; D231-R301 IonicContact OD2-NE 2.74Å; D231-R301 IonicContact OD2-NH2 3.68Å; D231-R301 PolarHBondContact OD2-NH2 2.86Å
232	Y	96.4	Very high	97.1	Very high	18 Å²	18	47.9 Å²	47.9	7%	0.071	25%	0.252	C	S	.	.	S	Bend	trans	-70.2	152.1	171.1	-66.1	-81.1	0	0	0	110.6	T234 G237 R301 A307	Y232-T234 PolarHBondContact O-N 2.96Å; Y232-T234 PolarHBondContact O-OG1 3.37Å; Y232-G237 WeakPolarHBondContact CB-O 3.29Å; Y232-G237 WeakPolarHBondContact CD2-O 3.28Å; Y232-G237 PolarHBondContact N-O 2.69Å; Y232-G237 WeakPolarHBondContact O-CA 3.48Å; Y232-R301 HydrophobicContact CE1-CG 4.44Å; Y232-R301 HydrophobicContact CE2-CG 4.08Å; Y232-R301 WeakPolarHBondContact OH-CG 3.3Å; Y232-A307 HydrophobicContact CD1-CB 3.78Å; Y232-A307 HydrophobicContact CG-CB 4.27Å
233	E	95.5	Very high	97.3	Very high	195 Å²	195	46.3 Å²	46.3	91%	0.911	25%	0.246	S	C	*	.	S	Bend	trans	-72.1	73.5	172.9	-63.8	-173.2	167.8	0	0	110.9
234	T	97.4	Very high	97.4	Very high	30 Å²	30	41.7 Å²	41.7	18%	0.184	22%	0.216	C	C	.	.	S	Bend	trans	-144.1	168.7	-173.2	56.3	0	0	0	0	109.8	Y232 D236 G237 T238 V240 A307 S308	Y232-T234 PolarHBondContact O-N 2.96Å; Y232-T234 PolarHBondContact O-OG1 3.37Å; T234-D236 PolarHBondContact O-N 3.37Å; T234-G237 PolarHBondContact O-N 3.34Å; T234-G237 VanDerWaalsContact OG1-CA 3.26Å; T234-G237 WeakPolarHBondContact OG1-CA 3.33Å; T234-G237 PolarHBondContact OG1-N 3.38Å; T234-T238 WeakPolarHBondContact CB-O 3.46Å; T234-T238 PolarHBondContact OG1-N 3.18Å; T234-T238 PolarHBondContact OG1-O 2.88Å; T234-V240 HydrophobicContact CG2-CG2 3.87Å; T234-A307 HydrophobicContact CG2-CB 4.22Å; T234-S308 WeakPolarHBondContact CG2-OG 3.46Å
235	V	95.8	Very high	97.5	Very high	116 Å²	116	39 Å²	39	70%	0.703	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.4	-172.3	67.7	0	0	0	0	114.7
236	D	97.8	Very high	97.5	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	16.2	-180	63.4	17.9	0	0	0	113.5	T234 T238 S278 L280	T234-D236 PolarHBondContact O-N 3.37Å; D236-T238 PolarHBondContact O-N 2.97Å; D236-T238 WeakPolarHBondContact OD1-CB 3.32Å; D236-T238 PolarHBondContact OD1-N 3.42Å; D236-T238 PolarHBondContact OD1-OG1 3Å; D236-S278 WeakPolarHBondContact OD1-CB 3.4Å; D236-S278 VanDerWaalsContact OD2-CB 3.24Å; D236-S278 WeakPolarHBondContact OD2-CB 3.41Å; D236-S278 PolarHBondContact OD2-OG 2.89Å; D236-L280 HydrophobicContact CB-CD1 4.42Å; D236-L280 WeakPolarHBondContact OD2-CB 3.34Å
237	G	97.9	Very high	97.6	Very high	9 Å²	9	36.7 Å²	36.7	9%	0.093	19%	0.192	C	C	.	.	S	Bend	trans	79.9	-10	-178	0	0	0	0	0	114.9	N230 D231 Y232 T234	N230-G237 CarbonylContact C-O 3.53Å; N230-G237 WeakPolarHBondContact CA-O 3.43Å; N230-G237 WeakPolarHBondContact O-CA 3.33Å; D231-G237 PolarHBondContact N-O 2.73Å; Y232-G237 WeakPolarHBondContact CB-O 3.29Å; Y232-G237 WeakPolarHBondContact CD2-O 3.28Å; Y232-G237 PolarHBondContact N-O 2.69Å; Y232-G237 WeakPolarHBondContact O-CA 3.48Å; T234-G237 PolarHBondContact O-N 3.34Å; T234-G237 VanDerWaalsContact OG1-CA 3.26Å; T234-G237 WeakPolarHBondContact OG1-CA 3.33Å; T234-G237 PolarHBondContact OG1-N 3.38Å
238	T	98.4	Very high	97.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.193	C	C	.	.	S	Bend	trans	-100	156.2	-178.3	73.5	0	0	0	0	112.6	V227 N230 T234 D236 V240 S278 V279 L280	V227-T238 HydrophobicContact CG1-CG2 3.75Å; N230-T238 HydrophobicContact CB-CG2 4.41Å; T234-T238 WeakPolarHBondContact CB-O 3.46Å; T234-T238 PolarHBondContact OG1-N 3.18Å; T234-T238 PolarHBondContact OG1-O 2.88Å; D236-T238 PolarHBondContact O-N 2.97Å; D236-T238 WeakPolarHBondContact OD1-CB 3.32Å; D236-T238 PolarHBondContact OD1-N 3.42Å; D236-T238 PolarHBondContact OD1-OG1 3Å; T238-V240 PolarHBondContact O-N 2.88Å; T238-S278 WeakPolarHBondContact OG1-CB 3.26Å; T238-V279 PolarHBondContact OG1-N 3.16Å; T238-L280 HydrophobicContact CG2-CD1 3.96Å; T238-L280 HydrophobicContact CG2-CD2 4.46Å; T238-L280 HydrophobicContact CG2-CG 3.8Å
239	G	97.3	Very high	97.8	Very high	7 Å²	7	32.9 Å²	32.9	7%	0.072	18%	0.176	C	C	.	.			trans	-57.5	136.1	-176.4	0	0	0	0	0	113.3	S278 V279 A307	G239-S278 CarbonylContact O-C 3.44Å; G239-S278 WeakPolarHBondContact O-CA 3.17Å; G239-V279 PolarHBondContact O-N 3.02Å; G239-V279 VanDerWaalsContact O-N 3.1Å; G239-A307 CarbonylContact C-O 3.54Å; G239-A307 WeakPolarHBondContact CA-O 3.15Å
240	V	98.3	Very high	97.9	Very high	14 Å²	14	32.8 Å²	32.8	9%	0.085	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.1	179.4	175.9	0	0	0	0	110.1	T234 T238 Y277 A307 S308 C309 Y310	T234-V240 HydrophobicContact CG2-CG2 3.87Å; T238-V240 PolarHBondContact O-N 2.88Å; V240-Y277 WeakPolarHBondContact CA-O 3.43Å; V240-A307 PolarHBondContact N-O 3.4Å; V240-S308 WeakPolarHBondContact O-CA 3.33Å; V240-C309 PolarHBondContact O-N 2.98Å; V240-Y310 HydrophobicContact CG1-CD1 4.49Å
241	R	98.3	Very high	98	Very high	32 Å²	32	32.7 Å²	32.7	12%	0.121	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.1	179.5	-61.4	-64.1	179.4	-85.8	-1.2	111.2	N189 Y243 G276 Y277 I306 A307 C309	N189-R241 HydrophobicContact CB-CB 4.46Å; R241-Y243 HydrophobicContact CB-CD2 4.34Å; R241-Y243 HydrophobicContact CB-CE1 4.38Å; R241-Y243 HydrophobicContact CB-CE2 3.78Å; R241-Y243 VanDerWaalsContact O-CD2 3.3Å; R241-Y243 WeakPolarHBondContact O-CD2 3.27Å; R241-Y243 PolarHBondContact O-N 3.24Å; R241-G276 WeakPolarHBondContact O-CA 3.46Å; R241-Y277 PolarHBondContact N-O 3.39Å; R241-Y277 PolarHBondContact O-N 2.89Å; R241-I306 VanDerWaalsContact CZ-O 3.26Å; R241-I306 PolarHBondContact NH1-O 2.9Å; R241-I306 PolarHBondContact NH2-O 3.39Å; R241-A307 PolarHBondContact NH1-O 2.77Å; R241-A307 VanDerWaalsContact NH1-O 3.16Å; R241-C309 CarbonylContact C-O 3.52Å; R241-C309 WeakPolarHBondContact CA-O 3.4Å
242	D	98.6	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	106.3	167.8	-175.4	-15.8	0	0	0	110.2	F188 N189 T273 G274 K275 C309 A311	F188-D242 HydrophobicContact CB-CB 4.02Å; F188-D242 WeakPolarHBondContact CB-O 3.23Å; F188-D242 HydrophobicContact CD1-CB 3.74Å; F188-D242 HydrophobicContact CG-CB 4.1Å; N189-D242 WeakPolarHBondContact CB-O 3.45Å; N189-D242 PolarHBondContact N-O 2.68Å; D242-T273 VanDerWaalsContact CG-N 3.32Å; D242-T273 WeakPolarHBondContact OD1-CB 3.21Å; D242-T273 PolarHBondContact OD1-N 3.34Å; D242-T273 PolarHBondContact OD1-OG1 3.17Å; D242-T273 PolarHBondContact OD2-N 2.71Å; D242-G274 WeakPolarHBondContact OD2-CA 3.41Å; D242-G274 PolarHBondContact OD2-N 3.02Å; D242-K275 WeakPolarHBondContact CA-O 3.42Å; D242-C309 PolarHBondContact N-O 3.28Å; D242-A311 WeakPolarHBondContact OD2-CB 3.26Å; D242-A311 PolarHBondContact OD2-N 3.27Å; D242-A311 VanDerWaalsContact OD2-N 3.11Å
243	Y	98.7	Very high	98.2	Very high	11 Å²	11	27.1 Å²	27.1	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.2	177.1	-64	-81	0	0	0	109.7	N189 I191 L210 M211 R241 T273 Y277 M282 M331	N189-Y243 HydrophobicContact CB-CD1 3.76Å; N189-Y243 HydrophobicContact CB-CE1 4.04Å; N189-Y243 HydrophobicContact CB-CG 4.47Å; N189-Y243 WeakPolarHBondContact O-CA 3.42Å; I191-Y243 HydrophobicContact CD1-CD1 4.24Å; I191-Y243 HydrophobicContact CD1-CG 4.26Å; I191-Y243 HydrophobicContact CG2-CD1 3.61Å; I191-Y243 HydrophobicContact CG2-CE1 4.29Å; L210-Y243 WeakPolarHBondContact CD2-OH 3.35Å; M211-Y243 HydrophobicContact CG-CE1 4.34Å; R241-Y243 HydrophobicContact CB-CD2 4.34Å; R241-Y243 HydrophobicContact CB-CE1 4.38Å; R241-Y243 HydrophobicContact CB-CE2 3.78Å; R241-Y243 VanDerWaalsContact O-CD2 3.3Å; R241-Y243 WeakPolarHBondContact O-CD2 3.27Å; R241-Y243 PolarHBondContact O-N 3.24Å; Y243-T273 WeakPolarHBondContact O-CG2 3.49Å; Y243-Y277 HydrophobicContact CD2-CD2 4.34Å; Y243-M282 HydrophobicContact CD1-CE 4.04Å; Y243-M282 HydrophobicContact CD2-CE 3.83Å; Y243-M282 HydrophobicContact CD2-CG 3.88Å; Y243-M282 HydrophobicContact CD2-SD 3.33Å; Y243-M282 WeakPolarHBondContact CD2-SD 3.48Å; Y243-M282 HydrophobicContact CE1-CE 4.33Å; Y243-M282 HydrophobicContact CE1-CG 4.42Å; Y243-M282 HydrophobicContact CE2-CE 4.14Å; Y243-M282 HydrophobicContact CE2-CG 3.32Å; Y243-M282 HydrophobicContact CE2-SD 3.48Å; Y243-M282 WeakPolarHBondContact CE2-SD 3.32Å; Y243-M282 HydrophobicContact CG-CE 3.76Å; Y243-M282 HydrophobicContact CG-SD 3.91Å; Y243-M331 WeakPolarHBondContact O-CE 3.05Å
244	I	98.9	Very high	98.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.7	-178.9	-177.8	171.3	0	0	0	110.2	N189 P190 I191 V246 D248 L249 T273 W322 A324	N189-I244 PolarHBondContact O-N 3.29Å; P190-I244 CarbonylContact C-O 3.55Å; P190-I244 VanDerWaalsContact CA-O 3.27Å; P190-I244 WeakPolarHBondContact CA-O 3.37Å; P190-I244 HydrophobicContact CB-CG2 4.43Å; I191-I244 PolarHBondContact N-O 3.11Å; I244-V246 PolarHBondContact O-N 3.31Å; I244-D248 HydrophobicContact CG1-CB 4.35Å; I244-L249 HydrophobicContact CD1-CB 4.38Å; I244-L249 HydrophobicContact CD1-CD1 4.46Å; I244-T273 HydrophobicContact CB-CG2 4.09Å; I244-T273 HydrophobicContact CG1-CG2 4.25Å; I244-W322 HydrophobicContact CD1-CH2 3.53Å; I244-W322 HydrophobicContact CD1-CZ2 3.77Å; I244-A324 HydrophobicContact CD1-CB 4.16Å; I244-A324 HydrophobicContact CG1-CB 4.21Å
245	H	98.9	Very high	98.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.5	176.5	-162.9	-75.1	0	0	0	110.5	I191 A193 V247 D248 L249 F326 M331 D334	I191-H245 CarbonylContact O-C 3.54Å; I191-H245 WeakPolarHBondContact O-CA 3.38Å; A193-H245 PolarHBondContact O-CE1 2.93Å; A193-H245 VanDerWaalsContact O-CE1 3.24Å; H245-V247 WeakPolarHBondContact ND1-CB 3.25Å; H245-V247 PolarHBondContact ND1-N 3.22Å; H245-V247 VanDerWaalsContact ND1-N 3.15Å; H245-V247 PolarHBondContact O-N 3.49Å; H245-D248 HydrophobicContact CB-CB 4.34Å; H245-D248 WeakPolarHBondContact O-CB 3.4Å; H245-D248 PolarHBondContact O-N 3.48Å; H245-L249 PolarHBondContact O-N 3.36Å; H245-F326 HydrophobicContact CB-CB 3.73Å; H245-F326 HydrophobicContact CB-CD2 3.87Å; H245-F326 HydrophobicContact CB-CG 4.26Å; H245-F326 AromaticContact CG-CD2 3.62Å; H245-F326 AromaticContact ND1-CD2 3.74Å; H245-M331 HydrophobicContact CB-CE 4.21Å; H245-M331 HydrophobicContact CB-CG 3.69Å; H245-M331 HydrophobicContact CB-SD 4.43Å; H245-D334 IonicContact CE1-OD2 3.7Å; H245-D334 IonicContact NE2-OD2 2.71Å; H245-D334 PolarHBondContact NE2-OD2 3.46Å
246	V	98.9	Very high	98.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.9	-31.5	-176.7	65	0	0	0	0	113	Y13 I14 H17 I191 I244 L249 A250	Y13-V246 HydrophobicContact CD2-CG2 4.32Å; Y13-V246 HydrophobicContact CE1-CB 4.31Å; Y13-V246 HydrophobicContact CE1-CG2 4.13Å; Y13-V246 HydrophobicContact CE2-CB 4.03Å; Y13-V246 HydrophobicContact CE2-CG1 3.85Å; Y13-V246 HydrophobicContact CE2-CG2 3.84Å; Y13-V246 WeakPolarHBondContact OH-CB 2.92Å; Y13-V246 WeakPolarHBondContact OH-CG1 3.4Å; I14-V246 HydrophobicContact CG1-CG2 4.41Å; H17-V246 HydrophobicContact CB-CG2 4.07Å; I191-V246 PolarHBondContact O-N 3.38Å; I244-V246 PolarHBondContact O-N 3.31Å; V246-L249 WeakPolarHBondContact O-CB 3.26Å; V246-L249 PolarHBondContact O-N 2.91Å; V246-A250 WeakPolarHBondContact O-CB 2.93Å; V246-A250 PolarHBondContact O-N 2.9Å
247	V	98.9	Very high	98.6	Very high	11 Å²	11	9.9 Å²	9.9	7%	0.067	5%	0.052	C	C	.	.	H	α-helix	trans	-68.3	-40.8	173.1	176.2	0	0	0	0	112	E21 H245 L249 A250 K251 F326	E21-V247 WeakPolarHBondContact OE1-CG1 3.45Å; H245-V247 WeakPolarHBondContact ND1-CB 3.25Å; H245-V247 PolarHBondContact ND1-N 3.22Å; H245-V247 VanDerWaalsContact ND1-N 3.15Å; H245-V247 PolarHBondContact O-N 3.49Å; V247-L249 VanDerWaalsContact C-N 3.29Å; V247-L249 PolarHBondContact O-N 3.4Å; V247-A250 PolarHBondContact O-N 2.95Å; V247-K251 HydrophobicContact CG1-CD 4.39Å; V247-K251 WeakPolarHBondContact O-CG 3.25Å; V247-K251 PolarHBondContact O-N 3.15Å; V247-F326 HydrophobicContact CB-CE2 4.18Å; V247-F326 HydrophobicContact CG1-CE2 4.02Å
248	D	98.9	Very high	98.6	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-43.9	173.1	-75.7	-35.3	0	0	0	110.2	I244 H245 A250 K251 G252 W322 A324 A325 F326	I244-D248 HydrophobicContact CG1-CB 4.35Å; H245-D248 HydrophobicContact CB-CB 4.34Å; H245-D248 WeakPolarHBondContact O-CB 3.4Å; H245-D248 PolarHBondContact O-N 3.48Å; D248-A250 VanDerWaalsContact C-N 3.32Å; D248-A250 PolarHBondContact O-N 3.33Å; D248-K251 PolarHBondContact O-N 3.1Å; D248-G252 PolarHBondContact O-N 3.13Å; D248-W322 HydrophobicContact CB-CZ2 4.3Å; D248-W322 WeakPolarHBondContact O-CZ2 3.44Å; D248-W322 PolarHBondContact O-NE1 3.3Å; D248-A324 HydrophobicContact CB-CB 4.2Å; D248-A325 PolarHBondContact OD1-N 3.33Å; D248-A325 PolarHBondContact OD2-N 3.4Å; D248-F326 VanDerWaalsContact CG-CD2 3.49Å; D248-F326 WeakPolarHBondContact OD1-CD2 3.48Å; D248-F326 WeakPolarHBondContact OD2-CB 3.28Å; D248-F326 VanDerWaalsContact OD2-CD2 3.31Å; D248-F326 WeakPolarHBondContact OD2-CD2 3.49Å; D248-F326 PolarHBondContact OD2-N 2.92Å
249	L	98.9	Very high	98.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-44.3	176.5	-176	64.1	0	0	0	111.8	I14 Y187 P190 I244 H245 V246 V247 K251 G252 H253 L271	I14-L249 HydrophobicContact CD1-CD2 4.03Å; I14-L249 HydrophobicContact CG1-CD2 4.32Å; I14-L249 HydrophobicContact CG2-CD2 3.89Å; I14-L249 HydrophobicContact CG2-CG 4.39Å; Y187-L249 HydrophobicContact CD1-CD1 3.47Å; Y187-L249 VanDerWaalsContact CD1-CD1 3.47Å; Y187-L249 HydrophobicContact CD1-CD2 4.22Å; Y187-L249 HydrophobicContact CD1-CG 4.33Å; Y187-L249 HydrophobicContact CD2-CD2 4.15Å; Y187-L249 HydrophobicContact CE1-CD1 3.85Å; Y187-L249 HydrophobicContact CE1-CG 4.49Å; Y187-L249 HydrophobicContact CG-CD1 4.02Å; Y187-L249 HydrophobicContact CG-CD2 3.99Å; P190-L249 HydrophobicContact CB-CD2 3.76Å; P190-L249 HydrophobicContact CG-CD2 4.11Å; I244-L249 HydrophobicContact CD1-CB 4.38Å; I244-L249 HydrophobicContact CD1-CD1 4.46Å; H245-L249 PolarHBondContact O-N 3.36Å; V246-L249 WeakPolarHBondContact O-CB 3.26Å; V246-L249 PolarHBondContact O-N 2.91Å; V247-L249 VanDerWaalsContact C-N 3.29Å; V247-L249 PolarHBondContact O-N 3.4Å; L249-K251 PolarHBondContact O-N 2.97Å; L249-G252 WeakPolarHBondContact O-CA 3.46Å; L249-G252 PolarHBondContact O-N 2.92Å; L249-G252 VanDerWaalsContact O-N 3.1Å; L249-H253 PolarHBondContact O-N 2.86Å; L249-H253 PolarHBondContact O-ND1 2.94Å; L249-L271 HydrophobicContact CD1-CB 3.52Å; L249-L271 HydrophobicContact CD1-CD1 3.52Å; L249-L271 HydrophobicContact CD1-CG 4.17Å
250	A	98.9	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176.8	0	0	0	0	0	112.2	H17 C18 E21 V246 V247 D248 G252 H253 I254	H17-A250 HydrophobicContact CB-CB 3.99Å; C18-A250 VanDerWaalsContact SG-CA 3.57Å; E21-A250 HydrophobicContact CB-CB 4.45Å; E21-A250 HydrophobicContact CG-CB 3.65Å; V246-A250 WeakPolarHBondContact O-CB 2.93Å; V246-A250 PolarHBondContact O-N 2.9Å; V247-A250 PolarHBondContact O-N 2.95Å; D248-A250 VanDerWaalsContact C-N 3.32Å; D248-A250 PolarHBondContact O-N 3.33Å; A250-G252 PolarHBondContact O-N 2.8Å; A250-H253 VanDerWaalsContact O-CB 3.28Å; A250-H253 WeakPolarHBondContact O-CB 3.37Å; A250-H253 PolarHBondContact O-N 2.67Å; A250-I254 PolarHBondContact O-N 3.33Å
251	K	98.9	Very high	98.4	Very high	86 Å²	86	21.7 Å²	21.7	37%	0.374	10%	0.098	S	C	.	.	H	α-helix	trans	-62.6	-31	172.6	-71.7	174	-179	-179.6	0	113	E21 V247 D248 L249 H253 I254 A255	E21-K251 HydrophobicContact CG-CG 4.16Å; E21-K251 WeakPolarHBondContact OE2-CE 3.38Å; E21-K251 WeakPolarHBondContact OE2-CG 3.39Å; V247-K251 HydrophobicContact CG1-CD 4.39Å; V247-K251 WeakPolarHBondContact O-CG 3.25Å; V247-K251 PolarHBondContact O-N 3.15Å; D248-K251 PolarHBondContact O-N 3.1Å; L249-K251 PolarHBondContact O-N 2.97Å; K251-H253 PolarHBondContact O-N 3.03Å; K251-I254 WeakPolarHBondContact O-CB 3.38Å; K251-I254 PolarHBondContact O-N 2.97Å; K251-I254 VanDerWaalsContact O-N 3.13Å; K251-A255 PolarHBondContact O-N 3.46Å
252	G	98.8	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-31.1	172.2	0	0	0	0	0	112.7	D248 L249 A250 A255 A256 W322	D248-G252 PolarHBondContact O-N 3.13Å; L249-G252 WeakPolarHBondContact O-CA 3.46Å; L249-G252 PolarHBondContact O-N 2.92Å; L249-G252 VanDerWaalsContact O-N 3.1Å; A250-G252 PolarHBondContact O-N 2.8Å; G252-A255 PolarHBondContact O-N 3.22Å; G252-A256 WeakPolarHBondContact O-CB 3.27Å; G252-A256 PolarHBondContact O-N 2.71Å; G252-W322 VanDerWaalsContact CA-NE1 3.32Å; G252-W322 VanDerWaalsContact N-NE1 3.11Å
253	H	98.9	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-72.6	-34.8	175.1	-66.2	67.7	0	0	0	112.8	M88 F90 Y187 L249 A250 K251 A255 A256 L257	M88-H253 HydrophobicContact CE-CB 3.6Å; M88-H253 HydrophobicContact SD-CB 3.98Å; F90-H253 AromaticContact CE1-CD2 3.74Å; F90-H253 AromaticContact CE1-CE1 3.84Å; F90-H253 AromaticContact CE1-NE2 3.09Å; F90-H253 WeakPolarHBondContact CE1-NE2 3.49Å; F90-H253 AromaticContact CZ-CD2 3.36Å; F90-H253 WeakPolarHBondContact CZ-CD2 3.25Å; F90-H253 AromaticContact CZ-NE2 3.25Å; F90-H253 VanDerWaalsContact CZ-NE2 3.25Å; F90-H253 WeakPolarHBondContact CZ-NE2 3.42Å; Y187-H253 AromaticContact CE1-CE1 3.65Å; Y187-H253 AromaticContact CE1-NE2 3.91Å; Y187-H253 AromaticContact CZ-CE1 3.54Å; Y187-H253 AromaticContact CZ-NE2 3.44Å; Y187-H253 PolarHBondContact OH-CE1 2.9Å; Y187-H253 VanDerWaalsContact OH-CE1 3.27Å; Y187-H253 PolarHBondContact OH-NE2 2.97Å; L249-H253 PolarHBondContact O-N 2.86Å; L249-H253 PolarHBondContact O-ND1 2.94Å; A250-H253 VanDerWaalsContact O-CB 3.28Å; A250-H253 WeakPolarHBondContact O-CB 3.37Å; A250-H253 PolarHBondContact O-N 2.67Å; K251-H253 PolarHBondContact O-N 3.03Å; H253-A255 VanDerWaalsContact C-N 3.3Å; H253-A256 WeakPolarHBondContact O-CB 3.36Å; H253-A256 PolarHBondContact O-N 2.67Å; H253-L257 PolarHBondContact O-N 3.46Å
254	I	98.8	Very high	97.9	Very high	12 Å²	12	32 Å²	32	6%	0.062	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-38.7	173.7	-52.2	-53	0	0	0	109.9	E21 L22 A25 M88 A250 K251 L257 K258	E21-I254 HydrophobicContact CB-CD1 4.09Å; E21-I254 HydrophobicContact CB-CG1 3.84Å; L22-I254 HydrophobicContact CB-CD1 4.47Å; L22-I254 HydrophobicContact CD2-CD1 3.85Å; L22-I254 HydrophobicContact CG-CD1 3.93Å; A25-I254 HydrophobicContact CB-CD1 4.47Å; A25-I254 HydrophobicContact CB-CG2 3.85Å; M88-I254 HydrophobicContact CE-CD1 4.35Å; A250-I254 PolarHBondContact O-N 3.33Å; K251-I254 WeakPolarHBondContact O-CB 3.38Å; K251-I254 PolarHBondContact O-N 2.97Å; K251-I254 VanDerWaalsContact O-N 3.13Å; I254-L257 PolarHBondContact O-N 2.93Å; I254-K258 WeakPolarHBondContact O-CG 3.4Å; I254-K258 PolarHBondContact O-N 3.28Å; I254-K258 VanDerWaalsContact O-N 3.12Å
255	A	98.8	Very high	97.8	Very high	14 Å²	14	33 Å²	33	12%	0.116	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-42	172.5	0	0	0	0	0	111.9	K251 G252 H253 L257 K258 K259 L320 W322	K251-A255 PolarHBondContact O-N 3.46Å; G252-A255 PolarHBondContact O-N 3.22Å; H253-A255 VanDerWaalsContact C-N 3.3Å; A255-L257 PolarHBondContact O-N 3.38Å; A255-K258 WeakPolarHBondContact O-CB 3.43Å; A255-K258 PolarHBondContact O-N 3.09Å; A255-K259 PolarHBondContact O-N 2.9Å; A255-L320 HydrophobicContact CB-CB 4.03Å; A255-W322 HydrophobicContact CB-CB 3.96Å
256	A	98.8	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.3	-41.9	173.9	0	0	0	0	0	112.8	V130 V183 L185 G252 H253 K258 K259 L260	V130-A256 HydrophobicContact CG1-CB 4.04Å; V130-A256 HydrophobicContact CG2-CB 3.99Å; V183-A256 HydrophobicContact CB-CB 4.07Å; V183-A256 HydrophobicContact CG1-CB 3.74Å; V183-A256 HydrophobicContact CG2-CB 4.39Å; L185-A256 HydrophobicContact CD1-CB 4Å; L185-A256 HydrophobicContact CD2-CB 4.24Å; L185-A256 HydrophobicContact CG-CB 4.46Å; G252-A256 WeakPolarHBondContact O-CB 3.27Å; G252-A256 PolarHBondContact O-N 2.71Å; H253-A256 WeakPolarHBondContact O-CB 3.36Å; H253-A256 PolarHBondContact O-N 2.67Å; A256-K258 VanDerWaalsContact C-N 3.31Å; A256-K258 PolarHBondContact O-N 2.83Å; A256-K259 WeakPolarHBondContact O-CB 3.31Å; A256-K259 PolarHBondContact O-N 3.44Å; A256-K259 VanDerWaalsContact O-N 3.16Å; A256-L260 WeakPolarHBondContact O-CG 3.33Å; A256-L260 PolarHBondContact O-N 2.83Å
257	L	98.3	Very high	97.8	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-39.4	174.2	-81	-175.9	0	0	0	112.8	V5 L22 Y27 A86 M88 V130 H253 I254 A255 K259 L260	V5-L257 HydrophobicContact CG2-CD1 4.06Å; L22-L257 HydrophobicContact CD2-CD1 3.48Å; L22-L257 VanDerWaalsContact CD2-CD1 3.48Å; Y27-L257 HydrophobicContact CD1-CD1 4.36Å; Y27-L257 HydrophobicContact CE1-CD1 4.11Å; Y27-L257 HydrophobicContact CE2-CD1 4.34Å; A86-L257 HydrophobicContact CB-CD2 3.59Å; M88-L257 HydrophobicContact CE-CD1 3.31Å; M88-L257 HydrophobicContact CE-CD2 4.17Å; M88-L257 HydrophobicContact CE-CG 3.48Å; M88-L257 VanDerWaalsContact CE-CG 3.48Å; V130-L257 HydrophobicContact CG2-CD2 4.01Å; V130-L257 HydrophobicContact CG2-CG 4.41Å; H253-L257 PolarHBondContact O-N 3.46Å; I254-L257 PolarHBondContact O-N 2.93Å; A255-L257 PolarHBondContact O-N 3.38Å; L257-K259 VanDerWaalsContact C-N 3.33Å; L257-L260 HydrophobicContact CD2-CD1 4.11Å; L257-L260 PolarHBondContact O-N 3.44Å
258	K	97.9	Very high	97.8	Very high	128 Å²	128	38.5 Å²	38.5	56%	0.557	20%	0.199	S	C	*	.	H	α-helix	trans	-63.3	-42.6	174.7	-70.2	170.2	-178.1	175.6	0	110.5	I254 A255 A256 L260 K261	I254-K258 WeakPolarHBondContact O-CG 3.4Å; I254-K258 PolarHBondContact O-N 3.28Å; I254-K258 VanDerWaalsContact O-N 3.12Å; A255-K258 WeakPolarHBondContact O-CB 3.43Å; A255-K258 PolarHBondContact O-N 3.09Å; A256-K258 VanDerWaalsContact C-N 3.31Å; A256-K258 PolarHBondContact O-N 2.83Å; K258-L260 VanDerWaalsContact C-N 3.31Å; K258-L260 PolarHBondContact O-N 3.42Å; K258-K261 VanDerWaalsContact O-CB 3.32Å; K258-K261 WeakPolarHBondContact O-CB 3.37Å; K258-K261 PolarHBondContact O-N 3.12Å; K258-K261 VanDerWaalsContact O-N 3.08Å
259	K	98.3	Very high	97.8	Very high	39 Å²	39	38.3 Å²	38.3	17%	0.17	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-36.8	177.7	-171.9	62.2	169.1	-166.1	0	113.4	V183 A255 A256 L257 K261 D262 C264 Y269 E319 L320	V183-K259 HydrophobicContact CG2-CB 4.39Å; V183-K259 HydrophobicContact CG2-CG 4.36Å; A255-K259 PolarHBondContact O-N 2.9Å; A256-K259 WeakPolarHBondContact O-CB 3.31Å; A256-K259 PolarHBondContact O-N 3.44Å; A256-K259 VanDerWaalsContact O-N 3.16Å; L257-K259 VanDerWaalsContact C-N 3.33Å; K259-K261 PolarHBondContact O-N 3.15Å; K259-D262 WeakPolarHBondContact O-CB 3.47Å; K259-D262 PolarHBondContact O-N 3.04Å; K259-C264 HydrophobicContact CD-CB 4.37Å; K259-C264 HydrophobicContact CG-CB 4.07Å; K259-Y269 WeakPolarHBondContact CE-OH 3.27Å; K259-E319 PolarHBondContact NZ-O 3.49Å; K259-L320 HydrophobicContact CB-CD2 3.69Å; K259-L320 HydrophobicContact CD-CD2 4.22Å; K259-L320 HydrophobicContact CG-CD2 3.81Å
260	L	98	Very high	97.8	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-27.1	176.6	-68.5	170.5	0	0	0	112.6	A86 N128 V130 N181 V183 A256 L257 K258 D262 N263	A86-L260 HydrophobicContact CB-CD1 4.49Å; N128-L260 HydrophobicContact CB-CB 4.47Å; N128-L260 HydrophobicContact CB-CD1 4.07Å; V130-L260 HydrophobicContact CG2-CD1 3.63Å; N181-L260 VanDerWaalsContact C-CD2 3.46Å; N181-L260 HydrophobicContact CB-CB 4.49Å; N181-L260 HydrophobicContact CB-CD2 3.47Å; N181-L260 VanDerWaalsContact CB-CD2 3.47Å; N181-L260 WeakPolarHBondContact O-CD2 3.5Å; V183-L260 HydrophobicContact CG2-CD2 3.78Å; V183-L260 HydrophobicContact CG2-CG 4.01Å; A256-L260 WeakPolarHBondContact O-CG 3.33Å; A256-L260 PolarHBondContact O-N 2.83Å; L257-L260 HydrophobicContact CD2-CD1 4.11Å; L257-L260 PolarHBondContact O-N 3.44Å; K258-L260 VanDerWaalsContact C-N 3.31Å; K258-L260 PolarHBondContact O-N 3.42Å; L260-D262 PolarHBondContact O-N 2.94Å; L260-N263 PolarHBondContact O-N 3.07Å
261	K	94.1	Very high	97.8	Very high	108 Å²	108	38.3 Å²	38.3	47%	0.47	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.1	177.5	-60	-174.5	172.5	-171.3	0	113.4	E3 K258 K259 N263	E3-K261 VanDerWaalsContact CD-NZ 3.32Å; E3-K261 IonicContact OE1-NZ 2.68Å; E3-K261 PolarHBondContact OE1-NZ 3.19Å; E3-K261 VanDerWaalsContact OE2-CE 3.28Å; E3-K261 WeakPolarHBondContact OE2-CE 3.38Å; E3-K261 IonicContact OE2-NZ 3.18Å; E3-K261 PolarHBondContact OE2-NZ 3.34Å; K258-K261 VanDerWaalsContact O-CB 3.32Å; K258-K261 WeakPolarHBondContact O-CB 3.37Å; K258-K261 PolarHBondContact O-N 3.12Å; K258-K261 VanDerWaalsContact O-N 3.08Å; K259-K261 PolarHBondContact O-N 3.15Å; K261-N263 PolarHBondContact O-N 3.18Å
262	D	94.3	Very high	97.8	Very high	111 Å²	111	34.2 Å²	34.2	59%	0.594	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	5.9	179.7	-59.2	-26.3	0	0	0	112.9	K259 L260 C264	K259-D262 WeakPolarHBondContact O-CB 3.47Å; K259-D262 PolarHBondContact O-N 3.04Å; L260-D262 PolarHBondContact O-N 2.94Å; D262-C264 VanDerWaalsContact C-N 3.33Å; D262-C264 PolarHBondContact O-N 3.1Å
263	N	92.6	Very high	97.8	Very high	129 Å²	129	35.8 Å²	35.8	69%	0.69	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	50.7	-170.1	-60.5	-55.7	0	0	0	111.9	N181 L260 K261 G265	N181-N263 WeakPolarHBondContact OD1-CA 3.24Å; L260-N263 PolarHBondContact O-N 3.07Å; K261-N263 PolarHBondContact O-N 3.18Å; N263-G265 PolarHBondContact O-N 3.49Å; N263-G265 VanDerWaalsContact O-N 3.13Å
264	C	96.8	Very high	97.8	Very high	18 Å²	18	37 Å²	37	12%	0.122	20%	0.201	C	C	.	.			trans	-70.7	-6.3	-168.7	65.3	0	0	0	0	115.1	N181 K259 D262 Q267	N181-C264 PolarHBondContact OD1-N 3.07Å; N181-C264 VanDerWaalsContact OD1-N 3.08Å; K259-C264 HydrophobicContact CD-CB 4.37Å; K259-C264 HydrophobicContact CG-CB 4.07Å; D262-C264 VanDerWaalsContact C-N 3.33Å; D262-C264 PolarHBondContact O-N 3.1Å; C264-Q267 HydrophobicContact CB-CG 3.79Å; C264-Q267 PolarHBondContact O-NE2 2.53Å
265	G	98	Very high	97.7	Very high	23 Å²	23	42.4 Å²	42.4	24%	0.237	23%	0.225	C	C	.	.			trans	61.5	-142.8	-167.9	0	0	0	0	0	110.7	N181 A182 N263	N181-G265 WeakPolarHBondContact CA-O 3.35Å; N181-G265 PolarHBondContact OD1-N 3.45Å; A182-G265 PolarHBondContact N-O 3.29Å; N263-G265 PolarHBondContact O-N 3.49Å; N263-G265 VanDerWaalsContact O-N 3.13Å
266	C	98.5	Very high	97.7	Very high	38 Å²	38	43.1 Å²	43.1	26%	0.257	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.1	176	-170.6	0	0	0	0	111.1	C174 A182	C174-C266 HydrophobicContact CB-CB 3.79Å; A182-C266 CarbonylContact O-C 3.6Å; A182-C266 WeakPolarHBondContact O-CA 3.43Å
267	Q	98.6	Very high	97.7	Very high	62 Å²	62	45.4 Å²	45.4	29%	0.29	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.4	178.4	-61.6	-59.8	-27.9	0	0	111.1	A182 L184 C264 Y269	A182-Q267 PolarHBondContact O-N 3.24Å; L184-Q267 PolarHBondContact N-O 3.1Å; C264-Q267 HydrophobicContact CB-CG 3.79Å; C264-Q267 PolarHBondContact O-NE2 2.53Å; Q267-Y269 HydrophobicContact CB-CD2 4.45Å; Q267-Y269 HydrophobicContact CB-CE2 3.56Å; Q267-Y269 HydrophobicContact CG-CE2 4.47Å
268	V	98.9	Very high	97.7	Very high	26 Å²	26	45.1 Å²	45.1	16%	0.158	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.2	-178.4	-173	0	0	0	0	109.2	E148 L184 R186	E148-V268 HydrophobicContact CG-CG1 4.39Å; L184-V268 HydrophobicContact CB-CG1 4.45Å; L184-V268 HydrophobicContact CB-CG2 4.16Å; L184-V268 HydrophobicContact CD1-CG2 3.98Å; L184-V268 HydrophobicContact CG-CG2 4.38Å; L184-V268 WeakPolarHBondContact O-CA 3.47Å; R186-V268 HydrophobicContact CG-CG1 4.3Å; R186-V268 VanDerWaalsContact CZ-CG1 3.49Å
269	Y	98.9	Very high	97.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	137.4	177.4	-57.2	-74.1	0	0	0	111.6	V183 L184 L185 R186 K259 Q267 L315 E319 L320	V183-Y269 HydrophobicContact CG1-CD2 3.65Å; V183-Y269 HydrophobicContact CG1-CE2 3.93Å; L184-Y269 PolarHBondContact O-N 3.06Å; L185-Y269 HydrophobicContact CD2-CD2 4.32Å; R186-Y269 PolarHBondContact N-O 2.92Å; K259-Y269 WeakPolarHBondContact CE-OH 3.27Å; Q267-Y269 HydrophobicContact CB-CD2 4.45Å; Q267-Y269 HydrophobicContact CB-CE2 3.56Å; Q267-Y269 HydrophobicContact CG-CE2 4.47Å; Y269-L315 HydrophobicContact CD1-CB 4.47Å; Y269-L315 HydrophobicContact CD1-CD2 3.92Å; Y269-L315 HydrophobicContact CD1-CG 3.86Å; Y269-L315 HydrophobicContact CE1-CD2 4.03Å; Y269-L315 HydrophobicContact CE1-CG 3.86Å; Y269-E319 HydrophobicContact CE1-CB 3.74Å; Y269-E319 HydrophobicContact CE1-CG 4.37Å; Y269-E319 WeakPolarHBondContact CE1-OE2 3.46Å; Y269-E319 PolarHBondContact OH-OE2 2.89Å; Y269-L320 HydrophobicContact CD1-CD1 4.3Å; Y269-L320 HydrophobicContact CD1-CG 4.26Å; Y269-L320 HydrophobicContact CD2-CD1 3.69Å; Y269-L320 HydrophobicContact CD2-CD2 4.04Å; Y269-L320 HydrophobicContact CD2-CG 4.04Å; Y269-L320 HydrophobicContact CE1-CG 4.26Å; Y269-L320 HydrophobicContact CE2-CD1 4.17Å; Y269-L320 HydrophobicContact CE2-CD2 3.62Å; Y269-L320 HydrophobicContact CE2-CG 4.02Å; Y269-L320 HydrophobicContact CG-CD1 3.77Å; Y269-L320 HydrophobicContact CG-CG 4.15Å
270	N	98.9	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127.4	165.3	-74.1	-31	0	0	0	109.4	Y138 I146 E148 F188 A311	Y138-N270 WeakPolarHBondContact CE2-OD1 3.26Å; Y138-N270 PolarHBondContact OH-ND2 2.9Å; Y138-N270 PolarHBondContact OH-OD1 3.37Å; I146-N270 PolarHBondContact O-ND2 2.87Å; E148-N270 HydrophobicContact CG-CB 4.46Å; E148-N270 WeakPolarHBondContact OE1-CB 3.18Å; E148-N270 PolarHBondContact OE1-N 3.15Å; F188-N270 HydrophobicContact CE2-CB 3.9Å; N270-A311 HydrophobicContact CB-CB 4.33Å
271	L	98.9	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	94.7	169	-57.9	-170.7	0	0	0	108.9	L185 R186 Y187 F188 L249 A316 W322	L185-L271 HydrophobicContact CB-CD1 4.06Å; L185-L271 HydrophobicContact CB-CG 4.38Å; L185-L271 HydrophobicContact CD1-CD1 3.81Å; L185-L271 HydrophobicContact CD2-CD1 3.9Å; L185-L271 HydrophobicContact CD2-CD2 4.34Å; L185-L271 HydrophobicContact CD2-CG 4.11Å; L185-L271 HydrophobicContact CG-CD1 4.14Å; R186-L271 PolarHBondContact O-N 2.96Å; Y187-L271 HydrophobicContact CD1-CB 4.35Å; Y187-L271 HydrophobicContact CD1-CD1 4.29Å; Y187-L271 HydrophobicContact CE1-CD1 4.15Å; F188-L271 PolarHBondContact N-O 3.46Å; L249-L271 HydrophobicContact CD1-CB 3.52Å; L249-L271 HydrophobicContact CD1-CD1 3.52Å; L249-L271 HydrophobicContact CD1-CG 4.17Å; L271-A316 HydrophobicContact CD2-CB 4.14Å; L271-W322 HydrophobicContact CB-CH2 3.86Å; L271-W322 HydrophobicContact CB-CZ2 4.5Å; L271-W322 HydrophobicContact CB-CZ3 4.21Å; L271-W322 HydrophobicContact CD2-CD2 4.1Å; L271-W322 HydrophobicContact CD2-CE3 3.55Å; L271-W322 HydrophobicContact CD2-CH2 3.77Å; L271-W322 HydrophobicContact CD2-CZ2 4.27Å; L271-W322 HydrophobicContact CD2-CZ3 3.39Å; L271-W322 HydrophobicContact CG-CH2 4.32Å; L271-W322 HydrophobicContact CG-CZ3 4.35Å
272	G	98.6	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-148.8	176.3	177.8	0	0	0	0	0	110.5
273	T	98.7	Very high	98.2	Very high	32 Å²	32	32.8 Å²	32.8	20%	0.196	19%	0.186	C	C	.	.			trans	-94	-17.1	179.1	69.9	0	0	0	0	112.9	D242 Y243 I244 K275 A324 M331	D242-T273 VanDerWaalsContact CG-N 3.32Å; D242-T273 WeakPolarHBondContact OD1-CB 3.21Å; D242-T273 PolarHBondContact OD1-N 3.34Å; D242-T273 PolarHBondContact OD1-OG1 3.17Å; D242-T273 PolarHBondContact OD2-N 2.71Å; Y243-T273 WeakPolarHBondContact O-CG2 3.49Å; I244-T273 HydrophobicContact CB-CG2 4.09Å; I244-T273 HydrophobicContact CG1-CG2 4.25Å; T273-K275 PolarHBondContact O-N 3.17Å; T273-K275 PolarHBondContact OG1-N 3.44Å; T273-A324 HydrophobicContact CG2-CB 3.84Å; T273-M331 HydrophobicContact CG2-CE 4.06Å
274	G	98.2	Very high	98.5	Very high	25 Å²	25	33.4 Å²	33.4	26%	0.258	18%	0.182	S	C	.	.	S	Bend	trans	74.3	7.8	-168.9	0	0	0	0	0	115.1	D242 A311	D242-G274 WeakPolarHBondContact OD2-CA 3.41Å; D242-G274 PolarHBondContact OD2-N 3.02Å; G274-A311 WeakPolarHBondContact CA-O 3.27Å
275	K	98.2	Very high	98.6	Very high	127 Å²	127	33.3 Å²	33.3	55%	0.552	18%	0.183	S	C	*	.			trans	-113.4	116.8	177.7	-61.5	-177.6	-172.1	174.7	0	110.5	D242 T273 Y277	D242-K275 WeakPolarHBondContact CA-O 3.42Å; T273-K275 PolarHBondContact O-N 3.17Å; T273-K275 PolarHBondContact OG1-N 3.44Å; K275-Y277 HydrophobicContact CB-CE2 3.99Å
276	G	98	Very high	98.6	Very high	28 Å²	28	32.2 Å²	32.2	29%	0.289	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.9	172.8	0	0	0	0	0	112.4	R241	R241-G276 WeakPolarHBondContact O-CA 3.46Å
277	Y	98.6	Very high	98.6	Very high	49 Å²	49	33.4 Å²	33.4	19%	0.192	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.7	169.4	-61.2	-81.6	0	0	0	111	V240 R241 Y243 K275 Q281 M282 L328	V240-Y277 WeakPolarHBondContact CA-O 3.43Å; R241-Y277 PolarHBondContact N-O 3.39Å; R241-Y277 PolarHBondContact O-N 2.89Å; Y243-Y277 HydrophobicContact CD2-CD2 4.34Å; K275-Y277 HydrophobicContact CB-CE2 3.99Å; Y277-Q281 HydrophobicContact CD1-CB 4.45Å; Y277-M282 HydrophobicContact CG-SD 4.28Å; Y277-L328 HydrophobicContact CD1-CD2 3.63Å; Y277-L328 HydrophobicContact CD2-CD2 4.34Å; Y277-L328 HydrophobicContact CE1-CB 4.41Å; Y277-L328 HydrophobicContact CE1-CD2 3.6Å; Y277-L328 HydrophobicContact CE2-CB 4.14Å; Y277-L328 HydrophobicContact CE2-CD2 4.33Å; Y277-L328 HydrophobicContact CG-CD2 4Å
278	S	98.6	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	162.5	174.5	77.2	0	0	0	0	112.1	D236 T238 G239 L280 Q281 M282	D236-S278 WeakPolarHBondContact OD1-CB 3.4Å; D236-S278 VanDerWaalsContact OD2-CB 3.24Å; D236-S278 WeakPolarHBondContact OD2-CB 3.41Å; D236-S278 PolarHBondContact OD2-OG 2.89Å; T238-S278 WeakPolarHBondContact OG1-CB 3.26Å; G239-S278 CarbonylContact O-C 3.44Å; G239-S278 WeakPolarHBondContact O-CA 3.17Å; S278-L280 VanDerWaalsContact C-N 3.26Å; S278-L280 PolarHBondContact O-N 3.27Å; S278-L280 PolarHBondContact OG-N 2.65Å; S278-Q281 PolarHBondContact O-N 3.29Å; S278-Q281 WeakPolarHBondContact OG-CB 3.4Å; S278-Q281 VanDerWaalsContact OG-CG 3.31Å; S278-Q281 WeakPolarHBondContact OG-CG 3.39Å; S278-Q281 PolarHBondContact OG-N 2.94Å; S278-Q281 VanDerWaalsContact OG-N 3.07Å; S278-Q281 PolarHBondContact OG-OE1 2.88Å; S278-M282 WeakPolarHBondContact O-CG 3.5Å; S278-M282 PolarHBondContact O-N 3.36Å
279	V	98.4	Very high	98.6	Very high	21 Å²	21	37 Å²	37	13%	0.127	19%	0.191	C	C	.	.	H	α-helix	trans	-55.1	-43	174.6	175.4	0	0	0	0	111.4	L210 L225 V227 T238 G239 M282 V283	L210-V279 HydrophobicContact CD1-CG1 3.91Å; L210-V279 HydrophobicContact CD2-CB 4.43Å; L210-V279 HydrophobicContact CD2-CG1 4.15Å; L210-V279 HydrophobicContact CD2-CG2 4.24Å; L225-V279 HydrophobicContact CD2-CG1 4.46Å; V227-V279 HydrophobicContact CB-CG1 4.46Å; V227-V279 HydrophobicContact CG1-CB 4.39Å; V227-V279 HydrophobicContact CG1-CG1 3.96Å; V227-V279 HydrophobicContact CG2-CG1 3.94Å; T238-V279 PolarHBondContact OG1-N 3.16Å; G239-V279 PolarHBondContact O-N 3.02Å; G239-V279 VanDerWaalsContact O-N 3.1Å; V279-M282 WeakPolarHBondContact O-CB 3.36Å; V279-M282 PolarHBondContact O-N 3.11Å; V279-V283 WeakPolarHBondContact O-CG2 3.33Å; V279-V283 PolarHBondContact O-N 3.04Å
280	L	98.4	Very high	98.6	Very high	29 Å²	29	37.7 Å²	37.7	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-73.8	-29.3	-178.5	-57.2	-179.9	0	0	0	112.9	V227 D236 T238 S278 M282 V283 K284 Y296	V227-L280 HydrophobicContact CG2-CD2 4.3Å; D236-L280 HydrophobicContact CB-CD1 4.42Å; D236-L280 WeakPolarHBondContact OD2-CB 3.34Å; T238-L280 HydrophobicContact CG2-CD1 3.96Å; T238-L280 HydrophobicContact CG2-CD2 4.46Å; T238-L280 HydrophobicContact CG2-CG 3.8Å; S278-L280 VanDerWaalsContact C-N 3.26Å; S278-L280 PolarHBondContact O-N 3.27Å; S278-L280 PolarHBondContact OG-N 2.65Å; L280-M282 VanDerWaalsContact C-N 3.32Å; L280-V283 PolarHBondContact O-N 2.96Å; L280-K284 WeakPolarHBondContact O-CG 3.14Å; L280-K284 PolarHBondContact O-N 2.92Å; L280-Y296 HydrophobicContact CD2-CD2 4.37Å; L280-Y296 HydrophobicContact CD2-CE1 4.23Å; L280-Y296 HydrophobicContact CD2-CE2 3.81Å
281	Q	98.6	Very high	98.5	Very high	78 Å²	78	40.9 Å²	40.9	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-40.9	169.7	-74.6	174.1	-45.5	0	0	111	Y277 S278 K284 A285	Y277-Q281 HydrophobicContact CD1-CB 4.45Å; S278-Q281 PolarHBondContact O-N 3.29Å; S278-Q281 WeakPolarHBondContact OG-CB 3.4Å; S278-Q281 VanDerWaalsContact OG-CG 3.31Å; S278-Q281 WeakPolarHBondContact OG-CG 3.39Å; S278-Q281 PolarHBondContact OG-N 2.94Å; S278-Q281 VanDerWaalsContact OG-N 3.07Å; S278-Q281 PolarHBondContact OG-OE1 2.88Å; Q281-K284 PolarHBondContact O-N 3.36Å; Q281-A285 WeakPolarHBondContact O-CB 3.3Å; Q281-A285 PolarHBondContact O-N 2.99Å
282	M	98.6	Very high	98.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-40.3	175.7	-62.6	-51	-66.6	0	0	112.9	I191 L210 M211 Y243 Y277 S278 V279 L280 A285 M286 L328	I191-M282 HydrophobicContact CD1-CE 3.49Å; I191-M282 VanDerWaalsContact CD1-CE 3.49Å; L210-M282 HydrophobicContact CD2-CB 4.03Å; L210-M282 HydrophobicContact CD2-CG 4.16Å; M211-M282 HydrophobicContact CE-CB 4.48Å; M211-M282 HydrophobicContact CE-CE 3.64Å; M211-M282 HydrophobicContact CG-CE 4.18Å; M211-M282 HydrophobicContact SD-CB 3.81Å; M211-M282 HydrophobicContact SD-CE 3.54Å; M211-M282 VanDerWaalsContact SD-CE 3.54Å; M211-M282 HydrophobicContact SD-CG 4.26Å; Y243-M282 HydrophobicContact CD1-CE 4.04Å; Y243-M282 HydrophobicContact CD2-CE 3.83Å; Y243-M282 HydrophobicContact CD2-CG 3.88Å; Y243-M282 HydrophobicContact CD2-SD 3.33Å; Y243-M282 WeakPolarHBondContact CD2-SD 3.48Å; Y243-M282 HydrophobicContact CE1-CE 4.33Å; Y243-M282 HydrophobicContact CE1-CG 4.42Å; Y243-M282 HydrophobicContact CE2-CE 4.14Å; Y243-M282 HydrophobicContact CE2-CG 3.32Å; Y243-M282 HydrophobicContact CE2-SD 3.48Å; Y243-M282 WeakPolarHBondContact CE2-SD 3.32Å; Y243-M282 HydrophobicContact CG-CE 3.76Å; Y243-M282 HydrophobicContact CG-SD 3.91Å; Y277-M282 HydrophobicContact CG-SD 4.28Å; S278-M282 WeakPolarHBondContact O-CG 3.5Å; S278-M282 PolarHBondContact O-N 3.36Å; V279-M282 WeakPolarHBondContact O-CB 3.36Å; V279-M282 PolarHBondContact O-N 3.11Å; L280-M282 VanDerWaalsContact C-N 3.32Å; M282-A285 PolarHBondContact O-N 2.87Å; M282-M286 PolarHBondContact O-N 3.26Å; M282-L328 HydrophobicContact CE-CD1 3.35Å; M282-L328 HydrophobicContact SD-CD1 3.42Å; M282-L328 WeakPolarHBondContact SD-CD1 3.49Å; M282-L328 HydrophobicContact SD-CD2 4.29Å
283	V	98.6	Very high	98.4	Very high	3 Å²	3	53 Å²	53	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-51.9	174	169.8	0	0	0	0	110.1	L225 V279 L280 A285 M286 E287 I294 Y296	L225-V283 HydrophobicContact CD2-CG2 3.64Å; V279-V283 WeakPolarHBondContact O-CG2 3.33Å; V279-V283 PolarHBondContact O-N 3.04Å; L280-V283 PolarHBondContact O-N 2.96Å; V283-A285 VanDerWaalsContact C-N 3.33Å; V283-A285 PolarHBondContact O-N 3.21Å; V283-M286 PolarHBondContact O-N 2.82Å; V283-M286 VanDerWaalsContact O-N 3.16Å; V283-E287 WeakPolarHBondContact O-CG 3.37Å; V283-E287 PolarHBondContact O-N 3.12Å; V283-I294 HydrophobicContact CG1-CB 3.9Å; V283-I294 HydrophobicContact CG1-CG2 4.01Å; V283-Y296 HydrophobicContact CG1-CD1 4.26Å
284	K	98.7	Very high	98.4	Very high	142 Å²	142	51.7 Å²	51.7	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-60.2	-40.1	178.7	-72.2	173.4	-179.6	176.1	0	112.9	L280 Q281 E287 K288	L280-K284 WeakPolarHBondContact O-CG 3.14Å; L280-K284 PolarHBondContact O-N 2.92Å; Q281-K284 PolarHBondContact O-N 3.36Å; K284-E287 PolarHBondContact O-N 3.47Å; K284-K288 PolarHBondContact O-N 3.22Å
285	A	98.7	Very high	98.4	Very high	17 Å²	17	56.2 Å²	56.2	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-40.1	177.2	0	0	0	0	0	111.9	Q281 M282 V283 K288 A289 L328 C332	Q281-A285 WeakPolarHBondContact O-CB 3.3Å; Q281-A285 PolarHBondContact O-N 2.99Å; M282-A285 PolarHBondContact O-N 2.87Å; V283-A285 VanDerWaalsContact C-N 3.33Å; V283-A285 PolarHBondContact O-N 3.21Å; A285-K288 PolarHBondContact O-N 3.49Å; A285-A289 WeakPolarHBondContact O-CB 3.42Å; A285-A289 PolarHBondContact O-N 2.98Å; A285-L328 HydrophobicContact CB-CD1 4.09Å; A285-L328 HydrophobicContact CB-CD2 3.76Å; A285-L328 HydrophobicContact CB-CG 3.8Å; A285-C332 VanDerWaalsContact CB-SG 3.59Å
286	M	98.6	Very high	98.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.6	-36.2	173.6	-75	-60.2	-62.1	0	0	113.2	M211 V214 A215 M282 V283 K288 A289 S290 C332 L335 W336	M211-M286 HydrophobicContact CE-CG 3.26Å; M211-M286 HydrophobicContact CE-SD 3.68Å; V214-M286 HydrophobicContact CG1-CB 3.63Å; V214-M286 HydrophobicContact CG1-CG 3.66Å; A215-M286 HydrophobicContact CB-CE 4.31Å; M282-M286 PolarHBondContact O-N 3.26Å; V283-M286 PolarHBondContact O-N 2.82Å; V283-M286 VanDerWaalsContact O-N 3.16Å; M286-K288 VanDerWaalsContact C-N 3.33Å; M286-A289 PolarHBondContact O-N 3.42Å; M286-S290 VanDerWaalsContact O-CB 3.25Å; M286-S290 WeakPolarHBondContact O-CB 3.25Å; M286-S290 PolarHBondContact O-N 3.19Å; M286-S290 PolarHBondContact O-OG 3.18Å; M286-C332 HydrophobicContact CG-CB 4.47Å; M286-C332 HydrophobicContact SD-CB 3.54Å; M286-C332 VanDerWaalsContact SD-CB 3.54Å; M286-L335 HydrophobicContact CE-CD2 3.94Å; M286-L335 HydrophobicContact CE-CG 4.11Å; M286-L335 HydrophobicContact SD-CD2 3.83Å; M286-L335 HydrophobicContact SD-CG 4.4Å; M286-W336 HydrophobicContact CE-CB 4.33Å
287	E	98.8	Very high	98.4	Very high	63 Å²	63	59.4 Å²	59.4	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-45.3	172.4	-71.7	-176.9	137.4	0	0	110.9	V283 K284 G291 K292 I294	V283-E287 WeakPolarHBondContact O-CG 3.37Å; V283-E287 PolarHBondContact O-N 3.12Å; K284-E287 PolarHBondContact O-N 3.47Å; E287-G291 WeakPolarHBondContact O-CA 3.31Å; E287-G291 PolarHBondContact O-N 2.95Å; E287-K292 WeakPolarHBondContact CA-O 3.1Å; E287-K292 WeakPolarHBondContact CG-O 3.48Å; E287-I294 HydrophobicContact CG-CB 3.91Å; E287-I294 HydrophobicContact CG-CG1 3.58Å; E287-I294 PolarHBondContact OE1-N 3.42Å
288	K	98.7	Very high	98.4	Very high	137 Å²	137	60.8 Å²	60.8	60%	0.596	30%	0.302	S	S	*	.	H	α-helix	trans	-59.4	-49.9	175.2	-176.7	-175	173.3	-171.5	0	111.6	K284 A285 M286 E329	K284-K288 PolarHBondContact O-N 3.22Å; A285-K288 PolarHBondContact O-N 3.49Å; M286-K288 VanDerWaalsContact C-N 3.33Å; K288-E329 IonicContact NZ-OE1 2.68Å; K288-E329 PolarHBondContact NZ-OE1 3.16Å; K288-E329 IonicContact NZ-OE2 3.5Å; K288-E329 PolarHBondContact NZ-OE2 2.81Å
289	A	98.5	Very high	98.3	Very high	27 Å²	27	61.7 Å²	61.7	22%	0.223	31%	0.309	C	S	.	.	H	α-helix	trans	-69.4	-36.4	-176.6	0	0	0	0	0	113.4	A285 M286 C332 E333	A285-A289 WeakPolarHBondContact O-CB 3.42Å; A285-A289 PolarHBondContact O-N 2.98Å; M286-A289 PolarHBondContact O-N 3.42Å; A289-C332 HydrophobicContact CB-CB 3.71Å; A289-E333 HydrophobicContact CB-CG 4.21Å
290	S	98.3	Very high	98.2	Very high	13 Å²	13	66 Å²	66	9%	0.091	34%	0.338	C	S	.	.	H	α-helix	trans	-89.1	-22.2	-176.9	65.7	0	0	0	0	114.2	M286 K292	M286-S290 VanDerWaalsContact O-CB 3.25Å; M286-S290 WeakPolarHBondContact O-CB 3.25Å; M286-S290 PolarHBondContact O-N 3.19Å; M286-S290 PolarHBondContact O-OG 3.18Å; S290-K292 PolarHBondContact O-N 2.97Å; S290-K292 WeakPolarHBondContact OG-CB 3.47Å; S290-K292 PolarHBondContact OG-N 3.06Å; S290-K292 VanDerWaalsContact OG-N 3.15Å
291	G	98.4	Very high	98	Very high	68 Å²	68	70.4 Å²	70.4	70%	0.701	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	20.4	-167.3	0	0	0	0	0	113	E287	E287-G291 WeakPolarHBondContact O-CA 3.31Å; E287-G291 PolarHBondContact O-N 2.95Å
292	K	98	Very high	97.4	Very high	111 Å²	111	70.7 Å²	70.7	48%	0.483	35%	0.35	S	S	.	.	S	Bend	trans	-116.8	140.9	-179.9	-58.5	-61.2	-175.8	-178.9	0	110	E287 S290 W336	E287-K292 WeakPolarHBondContact CA-O 3.1Å; E287-K292 WeakPolarHBondContact CG-O 3.48Å; S290-K292 PolarHBondContact O-N 2.97Å; S290-K292 WeakPolarHBondContact OG-CB 3.47Å; S290-K292 PolarHBondContact OG-N 3.06Å; S290-K292 VanDerWaalsContact OG-N 3.15Å; K292-W336 HydrophobicContact CG-CH2 4.25Å
293	E	97.6	Very high	96.8	Very high	144 Å²	144	78 Å²	78	67%	0.673	39%	0.385	S	S	*	.			trans	-66.8	132.9	168.4	-175.3	-169.2	178.9	0	0	109.9
294	I	98.4	Very high	96	Very high	3 Å²	3	79.2 Å²	79.2	2%	0.015	40%	0.397	C	S	.	.			trans	-105.9	99	175.8	-57.8	-58.3	0	0	0	108.8	V214 V217 A218 V283 E287 Y296	V214-I294 HydrophobicContact CG1-CD1 4.32Å; V214-I294 HydrophobicContact CG1-CG1 4.22Å; V214-I294 HydrophobicContact CG1-CG2 4.02Å; V217-I294 HydrophobicContact CB-CG2 4.48Å; V217-I294 HydrophobicContact CG1-CG2 4.13Å; A218-I294 HydrophobicContact CB-CD1 3.39Å; V283-I294 HydrophobicContact CG1-CB 3.9Å; V283-I294 HydrophobicContact CG1-CG2 4.01Å; E287-I294 HydrophobicContact CG-CB 3.91Å; E287-I294 HydrophobicContact CG-CG1 3.58Å; E287-I294 PolarHBondContact OE1-N 3.42Å; I294-Y296 PolarHBondContact O-N 3.13Å
295	K	98.3	Very high	95.3	Very high	120 Å²	120	74.4 Å²	74.4	52%	0.522	38%	0.378	S	S	.	.			trans	-64.9	135.8	175.6	-63.8	-179.4	-178	178.4	0	110.2	F224 L225	F224-K295 CarbonylContact C-O 3.3Å; F224-K295 WeakPolarHBondContact CA-O 3.28Å; F224-K295 HydrophobicContact CB-CB 4Å; F224-K295 WeakPolarHBondContact CB-O 3.36Å; L225-K295 PolarHBondContact N-O 2.85Å
296	Y	98.3	Very high	94.8	Very high	104 Å²	104	74.9 Å²	74.9	41%	0.408	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	163.6	174.1	70.4	-92.1	0	0	0	112.5	L225 V227 L280 V283 I294 I298	L225-Y296 CarbonylContact O-C 3.59Å; L225-Y296 WeakPolarHBondContact O-CA 3.29Å; L225-Y296 WeakPolarHBondContact O-CB 2.84Å; V227-Y296 HydrophobicContact CB-CD2 4.45Å; V227-Y296 HydrophobicContact CG2-CD2 3.61Å; V227-Y296 HydrophobicContact CG2-CE2 4.4Å; V227-Y296 HydrophobicContact CG2-CG 3.99Å; L280-Y296 HydrophobicContact CD2-CD2 4.37Å; L280-Y296 HydrophobicContact CD2-CE1 4.23Å; L280-Y296 HydrophobicContact CD2-CE2 3.81Å; V283-Y296 HydrophobicContact CG1-CD1 4.26Å; I294-Y296 PolarHBondContact O-N 3.13Å; Y296-I298 HydrophobicContact CD2-CD1 4.28Å; Y296-I298 HydrophobicContact CE2-CD1 4.01Å
297	K	97.9	Very high	94.5	Very high	118 Å²	118	76.3 Å²	76.3	51%	0.513	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.7	171.8	-62.6	-176.2	-176.5	178	0	109.5	F224 L225 V227	F224-K297 HydrophobicContact CD2-CB 4.31Å; F224-K297 HydrophobicContact CD2-CD 3.95Å; F224-K297 HydrophobicContact CD2-CG 3.94Å; F224-K297 HydrophobicContact CE1-CD 4.4Å; F224-K297 HydrophobicContact CE2-CD 3.8Å; F224-K297 HydrophobicContact CE2-CG 4.26Å; F224-K297 HydrophobicContact CG-CD 4.33Å; F224-K297 HydrophobicContact CG-CG 4.31Å; F224-K297 HydrophobicContact CZ-CD 4.05Å; L225-K297 PolarHBondContact O-N 3.15Å; V227-K297 PolarHBondContact N-O 3.14Å
298	I	98.1	Very high	94.4	Very high	78 Å²	78	74.5 Å²	74.5	40%	0.4	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.2	170.3	-53.9	-51.2	0	0	0	108.8	V227 N230 Y296	V227-I298 HydrophobicContact CB-CD1 3.9Å; V227-I298 HydrophobicContact CG1-CD1 3.95Å; N230-I298 HydrophobicContact CB-CD1 4.13Å; N230-I298 HydrophobicContact CB-CG1 4.4Å; N230-I298 HydrophobicContact CB-CG2 3.9Å; Y296-I298 HydrophobicContact CD2-CD1 4.28Å; Y296-I298 HydrophobicContact CE2-CD1 4.01Å
299	A	96.4	Very high	94.3	Very high	19 Å²	19	68.3 Å²	68.3	16%	0.157	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	166.1	176.2	0	0	0	0	0	109.7	N226 V227 F228 G229	N226-A299 HydrophobicContact CB-CB 4.21Å; V227-A299 PolarHBondContact O-N 2.96Å; F228-A299 HydrophobicContact CD1-CB 3.87Å; F228-A299 HydrophobicContact CE1-CB 4.19Å; G229-A299 PolarHBondContact N-O 3.37Å
300	P	96.3	Very high	94.3	Very high	113 Å²	113	70.1 Å²	70.1	73%	0.734	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-54.7	158.3	172.5	-24.6	34.8	0	0	0	112.2	F228 R302	F228-P300 WeakPolarHBondContact CA-O 3.48Å; P300-R302 PolarHBondContact O-N 3.28Å
301	R	93.9	Very high	94.3	Very high	120 Å²	120	69.6 Å²	69.6	45%	0.453	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-56.5	140	170.7	-66.2	-173.7	-177.5	-171.2	2.4	109.8	D231 Y232	D231-R301 PolarHBondContact O-NH2 2.96Å; D231-R301 IonicContact OD1-CZ 2.71Å; D231-R301 VanDerWaalsContact OD1-CZ 3.22Å; D231-R301 IonicContact OD1-NE 2.77Å; D231-R301 PolarHBondContact OD1-NE 3.33Å; D231-R301 IonicContact OD1-NH2 3.06Å; D231-R301 PolarHBondContact OD1-NH2 3.42Å; D231-R301 IonicContact OD2-CZ 2.65Å; D231-R301 IonicContact OD2-NE 2.74Å; D231-R301 IonicContact OD2-NH2 3.68Å; D231-R301 PolarHBondContact OD2-NH2 2.86Å; Y232-R301 HydrophobicContact CE1-CG 4.44Å; Y232-R301 HydrophobicContact CE2-CG 4.08Å; Y232-R301 WeakPolarHBondContact OH-CG 3.3Å
302	R	87.3	Confident	94.3	Very high	85 Å²	85	68.6 Å²	68.6	32%	0.321	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-85.5	134.1	173.6	179.7	174	63.3	171.1	7	109	N208 F228 P300 G304 D305	N208-R302 PolarHBondContact O-NH1 3.39Å; N208-R302 VanDerWaalsContact O-NH1 3.1Å; F228-R302 HydrophobicContact CB-CB 4.03Å; F228-R302 HydrophobicContact CD1-CB 4.41Å; F228-R302 HydrophobicContact CD2-CB 4.33Å; F228-R302 HydrophobicContact CG-CB 4.02Å; P300-R302 PolarHBondContact O-N 3.28Å; R302-G304 PolarHBondContact O-N 2.87Å; R302-D305 WeakPolarHBondContact CB-OD2 3.41Å; R302-D305 IonicContact CZ-OD1 2.89Å; R302-D305 IonicContact CZ-OD2 2.77Å; R302-D305 IonicContact NE-OD1 3.45Å; R302-D305 IonicContact NE-OD2 3.09Å; R302-D305 PolarHBondContact NE-OD2 2.99Å; R302-D305 IonicContact NH2-OD1 3.39Å; R302-D305 PolarHBondContact NH2-OD1 2.75Å; R302-D305 IonicContact NH2-OD2 3.72Å; R302-D305 PolarHBondContact NH2-OD2 3.16Å; R302-D305 VanDerWaalsContact NH2-OD2 3.09Å; R302-D305 WeakPolarHBondContact O-CB 3.43Å; R302-D305 PolarHBondContact O-N 3.46Å
303	E	85	Confident	94.3	Very high	154 Å²	154	64.5 Å²	64.5	72%	0.72	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	133.8	-179.2	-169.7	176.6	-179.1	0	0	111.1	D305	E303-D305 VanDerWaalsContact C-N 3.32Å; E303-D305 PolarHBondContact O-N 3.09Å
304	G	80.9	Confident	94.4	Very high	27 Å²	27	61.3 Å²	61.3	28%	0.278	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-7.8	-178.8	0	0	0	0	0	115.8	T156 R302	T156-G304 PolarHBondContact OG1-O 3.16Å; R302-G304 PolarHBondContact O-N 2.87Å
305	D	84.6	Confident	94.4	Very high	41 Å²	41	63.5 Å²	63.5	22%	0.219	32%	0.321	C	S	.	.			trans	-73.4	137.3	172.3	-81.2	-20.6	0	0	0	111.3	R302 E303	R302-D305 WeakPolarHBondContact CB-OD2 3.41Å; R302-D305 IonicContact CZ-OD1 2.89Å; R302-D305 IonicContact CZ-OD2 2.77Å; R302-D305 IonicContact NE-OD1 3.45Å; R302-D305 IonicContact NE-OD2 3.09Å; R302-D305 PolarHBondContact NE-OD2 2.99Å; R302-D305 IonicContact NH2-OD1 3.39Å; R302-D305 PolarHBondContact NH2-OD1 2.75Å; R302-D305 IonicContact NH2-OD2 3.72Å; R302-D305 PolarHBondContact NH2-OD2 3.16Å; R302-D305 VanDerWaalsContact NH2-OD2 3.09Å; R302-D305 WeakPolarHBondContact O-CB 3.43Å; R302-D305 PolarHBondContact O-N 3.46Å; E303-D305 VanDerWaalsContact C-N 3.32Å; E303-D305 PolarHBondContact O-N 3.09Å
306	I	88.8	Confident	94.4	Very high	27 Å²	27	57.8 Å²	57.8	14%	0.138	30%	0.297	C	S	.	.			trans	-101.8	161.5	175.5	57.9	174.5	0	0	0	111.4	D140 P141 R241 C309	D140-I306 HydrophobicContact CB-CG2 4.37Å; P141-I306 HydrophobicContact CG-CD1 4.04Å; R241-I306 VanDerWaalsContact CZ-O 3.26Å; R241-I306 PolarHBondContact NH1-O 2.9Å; R241-I306 PolarHBondContact NH2-O 3.39Å; I306-C309 HydrophobicContact CD1-CB 3.62Å; I306-C309 HydrophobicContact CG1-CB 4.44Å
307	A	92.8	Very high	94.4	Very high	30 Å²	30	58.1 Å²	58.1	25%	0.248	30%	0.302	C	S	.	.	S	Bend	trans	-64.8	-60.9	-178.3	0	0	0	0	0	112	Y232 T234 G239 V240 R241	Y232-A307 HydrophobicContact CD1-CB 3.78Å; Y232-A307 HydrophobicContact CG-CB 4.27Å; T234-A307 HydrophobicContact CG2-CB 4.22Å; G239-A307 CarbonylContact C-O 3.54Å; G239-A307 WeakPolarHBondContact CA-O 3.15Å; V240-A307 PolarHBondContact N-O 3.4Å; R241-A307 PolarHBondContact NH1-O 2.77Å; R241-A307 VanDerWaalsContact NH1-O 3.16Å
308	S	95.9	Very high	94.5	Very high	25 Å²	25	60.6 Å²	60.6	18%	0.175	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.5	-174.4	-65.2	0	0	0	0	111.7	T234 V240	T234-S308 WeakPolarHBondContact CG2-OG 3.46Å; V240-S308 WeakPolarHBondContact O-CA 3.33Å
309	C	96	Very high	94.5	Very high	8 Å²	8	60.3 Å²	60.3	5%	0.054	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	114.8	174.9	177.7	0	0	0	0	110.4	I146 V240 R241 D242 I306	I146-C309 HydrophobicContact CD1-CB 4.47Å; I146-C309 VanDerWaalsContact CD1-SG 3.56Å; V240-C309 PolarHBondContact O-N 2.98Å; R241-C309 CarbonylContact C-O 3.52Å; R241-C309 WeakPolarHBondContact CA-O 3.4Å; D242-C309 PolarHBondContact N-O 3.28Å; I306-C309 HydrophobicContact CD1-CB 3.62Å; I306-C309 HydrophobicContact CG1-CB 4.44Å
310	Y	98.2	Very high	94.6	Very high	65 Å²	65	60.5 Å²	60.5	26%	0.255	31%	0.308	S	S	.	.			trans	-149.7	150.4	176.3	54.8	-94.5	0	0	0	112.7	L144 P145 I146 V240	L144-Y310 HydrophobicContact CB-CE1 4.02Å; L144-Y310 HydrophobicContact CB-CE2 3.96Å; L144-Y310 WeakPolarHBondContact CB-OH 3.36Å; L144-Y310 HydrophobicContact CD1-CD1 4.41Å; L144-Y310 HydrophobicContact CD1-CE1 3.72Å; L144-Y310 HydrophobicContact CD2-CD1 4.18Å; L144-Y310 HydrophobicContact CD2-CE1 4.14Å; L144-Y310 HydrophobicContact CG-CE1 4.18Å; P145-Y310 HydrophobicContact CB-CD2 3.85Å; P145-Y310 HydrophobicContact CB-CE2 3.83Å; I146-Y310 PolarHBondContact N-O 3.32Å; V240-Y310 HydrophobicContact CG1-CD1 4.49Å
311	A	98.5	Very high	94.7	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.008	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-78.6	156.4	-167.4	0	0	0	0	0	113.1	P145 F188 D242 N270 G274	P145-A311 VanDerWaalsContact CB-O 3.25Å; P145-A311 WeakPolarHBondContact CB-O 3.37Å; F188-A311 HydrophobicContact CD1-CB 4.3Å; F188-A311 HydrophobicContact CD2-CB 3.73Å; F188-A311 HydrophobicContact CE1-CB 3.93Å; F188-A311 VanDerWaalsContact CE1-N 3.28Å; F188-A311 HydrophobicContact CE2-CB 3.35Å; F188-A311 HydrophobicContact CG-CB 4.21Å; F188-A311 HydrophobicContact CZ-CB 3.45Å; F188-A311 VanDerWaalsContact CZ-CB 3.45Å; D242-A311 WeakPolarHBondContact OD2-CB 3.26Å; D242-A311 PolarHBondContact OD2-N 3.27Å; D242-A311 VanDerWaalsContact OD2-N 3.11Å; N270-A311 HydrophobicContact CB-CB 4.33Å; G274-A311 WeakPolarHBondContact CA-O 3.27Å
312	D	98.8	Very high	94.9	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	29%	0.289	S	S	.	.			trans	-94.5	113.4	145.2	-173	-23.4	0	0	0	107.3	P145 I146 D147 T314	P145-D312 HydrophobicContact CB-CB 4.05Å; P145-D312 HydrophobicContact CG-CB 4.12Å; I146-D312 PolarHBondContact O-N 3.3Å; D147-D312 HydrophobicContact CB-CB 4.13Å; D312-T314 VanDerWaalsContact C-N 3.33Å; D312-T314 WeakPolarHBondContact OD1-CB 3.48Å; D312-T314 PolarHBondContact OD1-N 3.33Å; D312-T314 PolarHBondContact OD1-OG1 2.76Å
313	P	98.5	Very high	95.5	Very high	25 Å²	25	53.1 Å²	53.1	16%	0.162	30%	0.296	C	S	.	.			trans	-86.4	1.1	-177.8	34.9	-35.5	0	0	0	113.9	L315 A316 E317	P313-L315 VanDerWaalsContact C-N 3.31Å; P313-L315 PolarHBondContact O-N 3.32Å; P313-A316 PolarHBondContact O-N 2.97Å; P313-E317 PolarHBondContact O-N 2.65Å
314	T	98.8	Very high	96.1	Very high	78 Å²	78	46.7 Å²	46.7	48%	0.479	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-37.4	-168.4	-58.4	0	0	0	0	113.2	D312 E317 K318	D312-T314 VanDerWaalsContact C-N 3.33Å; D312-T314 WeakPolarHBondContact OD1-CB 3.48Å; D312-T314 PolarHBondContact OD1-N 3.33Å; D312-T314 PolarHBondContact OD1-OG1 2.76Å; T314-E317 PolarHBondContact O-N 3.06Å; T314-K318 WeakPolarHBondContact O-CB 3.38Å; T314-K318 PolarHBondContact O-N 3.16Å
315	L	98.8	Very high	96.9	Very high	49 Å²	49	49.2 Å²	49.2	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-68.6	-41.9	-177.7	-170.5	67	0	0	0	111.8	E148 Y269 P313 K318 E319	E148-L315 HydrophobicContact CB-CD2 4.16Å; E148-L315 VanDerWaalsContact CD-CD2 3.49Å; E148-L315 HydrophobicContact CG-CD2 3.94Å; E148-L315 WeakPolarHBondContact OE2-CB 3.42Å; E148-L315 WeakPolarHBondContact OE2-CD2 3.43Å; Y269-L315 HydrophobicContact CD1-CB 4.47Å; Y269-L315 HydrophobicContact CD1-CD2 3.92Å; Y269-L315 HydrophobicContact CD1-CG 3.86Å; Y269-L315 HydrophobicContact CE1-CD2 4.03Å; Y269-L315 HydrophobicContact CE1-CG 3.86Å; P313-L315 VanDerWaalsContact C-N 3.31Å; P313-L315 PolarHBondContact O-N 3.32Å; L315-K318 PolarHBondContact O-N 2.89Å; L315-E319 HydrophobicContact CD1-CG 3.96Å; L315-E319 WeakPolarHBondContact CD1-OE1 3.43Å; L315-E319 WeakPolarHBondContact O-CB 3.49Å; L315-E319 PolarHBondContact O-N 2.98Å
316	A	98.8	Very high	97.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-40.7	176.6	0	0	0	0	0	111.4	L271 P313 K318 L320 G321 W322	L271-A316 HydrophobicContact CD2-CB 4.14Å; P313-A316 PolarHBondContact O-N 2.97Å; A316-K318 PolarHBondContact O-N 2.77Å; A316-L320 HydrophobicContact CB-CD1 4.38Å; A316-L320 WeakPolarHBondContact O-CA 3.45Å; A316-L320 VanDerWaalsContact O-CB 3.23Å; A316-L320 WeakPolarHBondContact O-CB 3.39Å; A316-L320 PolarHBondContact O-N 3.23Å; A316-G321 PolarHBondContact O-N 2.93Å; A316-W322 CarbonylContact C-O 3.57Å; A316-W322 HydrophobicContact CB-CE3 3.75Å; A316-W322 HydrophobicContact CB-CZ3 4.12Å; A316-W322 PolarHBondContact O-N 3.2Å
317	E	98.8	Very high	98.1	Very high	111 Å²	111	52.5 Å²	52.5	52%	0.519	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-49	173.9	-175.9	178.6	-176.3	0	0	111.4	P313 T314 G321 W322	P313-E317 PolarHBondContact O-N 2.65Å; T314-E317 PolarHBondContact O-N 3.06Å; E317-G321 VanDerWaalsContact O-CA 3.24Å; E317-G321 WeakPolarHBondContact O-CA 3.17Å; E317-G321 PolarHBondContact O-N 3.41Å; E317-G321 VanDerWaalsContact O-N 3.17Å; E317-W322 WeakPolarHBondContact CA-O 3.4Å; E317-W322 PolarHBondContact N-O 2.87Å
318	K	98.6	Very high	98.3	Very high	170 Å²	170	52 Å²	52	74%	0.739	30%	0.296	S	S	*	.	H	α-helix	trans	-69.2	-43.2	-175.7	-176.4	-179.4	176	-173.7	0	113.5	T314 L315 A316	T314-K318 WeakPolarHBondContact O-CB 3.38Å; T314-K318 PolarHBondContact O-N 3.16Å; L315-K318 PolarHBondContact O-N 2.89Å; A316-K318 PolarHBondContact O-N 2.77Å
319	E	98.6	Very high	98.4	Very high	71 Å²	71	55.2 Å²	55.2	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-103.5	-24.1	-168.2	-64.8	-162.4	178.5	0	0	115	K259 Y269 L315	K259-E319 PolarHBondContact NZ-O 3.49Å; Y269-E319 HydrophobicContact CE1-CB 3.74Å; Y269-E319 HydrophobicContact CE1-CG 4.37Å; Y269-E319 WeakPolarHBondContact CE1-OE2 3.46Å; Y269-E319 PolarHBondContact OH-OE2 2.89Å; L315-E319 HydrophobicContact CD1-CG 3.96Å; L315-E319 WeakPolarHBondContact CD1-OE1 3.43Å; L315-E319 WeakPolarHBondContact O-CB 3.49Å; L315-E319 PolarHBondContact O-N 2.98Å
320	L	98.5	Very high	98.6	Very high	23 Å²	23	58.6 Å²	58.6	12%	0.12	32%	0.32	C	S	.	.	H	α-helix	trans	-103	-13.3	174.9	-57	-177.6	0	0	0	112.2	A255 K259 Y269 A316 W322	A255-L320 HydrophobicContact CB-CB 4.03Å; K259-L320 HydrophobicContact CB-CD2 3.69Å; K259-L320 HydrophobicContact CD-CD2 4.22Å; K259-L320 HydrophobicContact CG-CD2 3.81Å; Y269-L320 HydrophobicContact CD1-CD1 4.3Å; Y269-L320 HydrophobicContact CD1-CG 4.26Å; Y269-L320 HydrophobicContact CD2-CD1 3.69Å; Y269-L320 HydrophobicContact CD2-CD2 4.04Å; Y269-L320 HydrophobicContact CD2-CG 4.04Å; Y269-L320 HydrophobicContact CE1-CG 4.26Å; Y269-L320 HydrophobicContact CE2-CD1 4.17Å; Y269-L320 HydrophobicContact CE2-CD2 3.62Å; Y269-L320 HydrophobicContact CE2-CG 4.02Å; Y269-L320 HydrophobicContact CG-CD1 3.77Å; Y269-L320 HydrophobicContact CG-CG 4.15Å; A316-L320 HydrophobicContact CB-CD1 4.38Å; A316-L320 WeakPolarHBondContact O-CA 3.45Å; A316-L320 VanDerWaalsContact O-CB 3.23Å; A316-L320 WeakPolarHBondContact O-CB 3.39Å; A316-L320 PolarHBondContact O-N 3.23Å; L320-W322 HydrophobicContact CB-CB 4.05Å; L320-W322 PolarHBondContact O-N 3.48Å
321	G	98.5	Very high	98.6	Very high	72 Å²	72	55.6 Å²	55.6	74%	0.742	31%	0.309	S	S	*	.			trans	62.8	29.8	-171	0	0	0	0	0	111.8	A316 E317	A316-G321 PolarHBondContact O-N 2.93Å; E317-G321 VanDerWaalsContact O-CA 3.24Å; E317-G321 WeakPolarHBondContact O-CA 3.17Å; E317-G321 PolarHBondContact O-N 3.41Å; E317-G321 VanDerWaalsContact O-N 3.17Å
322	W	98.8	Very high	98.6	Very high	16 Å²	16	55.6 Å²	55.6	6%	0.061	31%	0.308	C	S	.	.			trans	-119.9	136.4	-174.6	172.9	90.4	0	0	0	110.6	I244 D248 G252 A255 L271 A316 E317 L320 A324	I244-W322 HydrophobicContact CD1-CH2 3.53Å; I244-W322 HydrophobicContact CD1-CZ2 3.77Å; D248-W322 HydrophobicContact CB-CZ2 4.3Å; D248-W322 WeakPolarHBondContact O-CZ2 3.44Å; D248-W322 PolarHBondContact O-NE1 3.3Å; G252-W322 VanDerWaalsContact CA-NE1 3.32Å; G252-W322 VanDerWaalsContact N-NE1 3.11Å; A255-W322 HydrophobicContact CB-CB 3.96Å; L271-W322 HydrophobicContact CB-CH2 3.86Å; L271-W322 HydrophobicContact CB-CZ2 4.5Å; L271-W322 HydrophobicContact CB-CZ3 4.21Å; L271-W322 HydrophobicContact CD2-CD2 4.1Å; L271-W322 HydrophobicContact CD2-CE3 3.55Å; L271-W322 HydrophobicContact CD2-CH2 3.77Å; L271-W322 HydrophobicContact CD2-CZ2 4.27Å; L271-W322 HydrophobicContact CD2-CZ3 3.39Å; L271-W322 HydrophobicContact CG-CH2 4.32Å; L271-W322 HydrophobicContact CG-CZ3 4.35Å; A316-W322 CarbonylContact C-O 3.57Å; A316-W322 HydrophobicContact CB-CE3 3.75Å; A316-W322 HydrophobicContact CB-CZ3 4.12Å; A316-W322 PolarHBondContact O-N 3.2Å; E317-W322 WeakPolarHBondContact CA-O 3.4Å; E317-W322 PolarHBondContact N-O 2.87Å; L320-W322 HydrophobicContact CB-CB 4.05Å; L320-W322 PolarHBondContact O-N 3.48Å; W322-A324 HydrophobicContact CH2-CB 4.32Å; W322-A324 HydrophobicContact CZ2-CB 4.45Å
323	T	98.6	Very high	98.6	Very high	75 Å²	75	57.5 Å²	57.5	46%	0.46	32%	0.316	S	S	.	.			trans	-142.7	151	171.1	-170	0	0	0	0	109	A325	T323-A325 PolarHBondContact O-N 3.08Å
324	A	98.6	Very high	98.6	Very high	20 Å²	20	56.4 Å²	56.4	17%	0.165	31%	0.308	C	S	.	.			trans	-70.8	121.9	173.6	0	0	0	0	0	109.7	I244 D248 T273 W322	I244-A324 HydrophobicContact CD1-CB 4.16Å; I244-A324 HydrophobicContact CG1-CB 4.21Å; D248-A324 HydrophobicContact CB-CB 4.2Å; T273-A324 HydrophobicContact CG2-CB 3.84Å; W322-A324 HydrophobicContact CH2-CB 4.32Å; W322-A324 HydrophobicContact CZ2-CB 4.45Å
325	A	98.4	Very high	98.6	Very high	79 Å²	79	52.9 Å²	52.9	65%	0.653	29%	0.287	S	S	*	.			trans	-96.1	-26.2	-173.7	0	0	0	0	0	113.2	D248 T323	D248-A325 PolarHBondContact OD1-N 3.33Å; D248-A325 PolarHBondContact OD2-N 3.4Å; T323-A325 PolarHBondContact O-N 3.08Å
326	F	98.6	Very high	98.6	Very high	50 Å²	50	52.9 Å²	52.9	22%	0.219	28%	0.283	C	S	.	.			trans	-91.2	138.6	-176	-60.9	-58.5	0	0	0	111.7	H245 V247 D248 R330 M331	H245-F326 HydrophobicContact CB-CB 3.73Å; H245-F326 HydrophobicContact CB-CD2 3.87Å; H245-F326 HydrophobicContact CB-CG 4.26Å; H245-F326 AromaticContact CG-CD2 3.62Å; H245-F326 AromaticContact ND1-CD2 3.74Å; V247-F326 HydrophobicContact CB-CE2 4.18Å; V247-F326 HydrophobicContact CG1-CE2 4.02Å; D248-F326 VanDerWaalsContact CG-CD2 3.49Å; D248-F326 WeakPolarHBondContact OD1-CD2 3.48Å; D248-F326 WeakPolarHBondContact OD2-CB 3.28Å; D248-F326 VanDerWaalsContact OD2-CD2 3.31Å; D248-F326 WeakPolarHBondContact OD2-CD2 3.49Å; D248-F326 PolarHBondContact OD2-N 2.92Å; F326-R330 HydrophobicContact CB-CB 4.21Å; F326-R330 HydrophobicContact CB-CG 4.05Å; F326-R330 HydrophobicContact CD1-CB 4.35Å; F326-R330 HydrophobicContact CD1-CG 3.57Å; F326-R330 HydrophobicContact CE1-CG 4.25Å; F326-R330 HydrophobicContact CG-CG 3.97Å; F326-M331 WeakPolarHBondContact O-CE 3.39Å
327	D	98.3	Very high	98.6	Very high	87 Å²	87	56.5 Å²	56.5	47%	0.465	30%	0.297	S	S	.	.			trans	-89.7	177.9	176.6	65.9	11.3	0	0	0	112.4	E329 R330 M331	D327-E329 VanDerWaalsContact C-N 3.26Å; D327-E329 PolarHBondContact O-N 3.09Å; D327-E329 PolarHBondContact OD1-N 3.37Å; D327-R330 PolarHBondContact O-N 3.48Å; D327-R330 WeakPolarHBondContact OD1-CB 3.47Å; D327-R330 PolarHBondContact OD1-N 3.33Å; D327-M331 VanDerWaalsContact O-CG 3.29Å; D327-M331 WeakPolarHBondContact O-CG 3.26Å; D327-M331 PolarHBondContact O-N 3.26Å
328	L	98.4	Very high	98.6	Very high	19 Å²	19	51.2 Å²	51.2	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-37.5	179.5	175.3	59.2	0	0	0	112.6	Y277 M282 A285 M331 C332	Y277-L328 HydrophobicContact CD1-CD2 3.63Å; Y277-L328 HydrophobicContact CD2-CD2 4.34Å; Y277-L328 HydrophobicContact CE1-CB 4.41Å; Y277-L328 HydrophobicContact CE1-CD2 3.6Å; Y277-L328 HydrophobicContact CE2-CB 4.14Å; Y277-L328 HydrophobicContact CE2-CD2 4.33Å; Y277-L328 HydrophobicContact CG-CD2 4Å; M282-L328 HydrophobicContact CE-CD1 3.35Å; M282-L328 HydrophobicContact SD-CD1 3.42Å; M282-L328 WeakPolarHBondContact SD-CD1 3.49Å; M282-L328 HydrophobicContact SD-CD2 4.29Å; A285-L328 HydrophobicContact CB-CD1 4.09Å; A285-L328 HydrophobicContact CB-CD2 3.76Å; A285-L328 HydrophobicContact CB-CG 3.8Å; L328-M331 PolarHBondContact O-N 3.48Å; L328-C332 PolarHBondContact O-N 3.1Å; L328-C332 PolarHBondContact O-SG 3.44Å
329	E	98.3	Very high	98.6	Very high	93 Å²	93	43.4 Å²	43.4	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-49.4	-179.3	-59.9	-164.6	175.6	0	0	109.9	K288 D327 M331 C332 E333	K288-E329 IonicContact NZ-OE1 2.68Å; K288-E329 PolarHBondContact NZ-OE1 3.16Å; K288-E329 IonicContact NZ-OE2 3.5Å; K288-E329 PolarHBondContact NZ-OE2 2.81Å; D327-E329 VanDerWaalsContact C-N 3.26Å; D327-E329 PolarHBondContact O-N 3.09Å; D327-E329 PolarHBondContact OD1-N 3.37Å; E329-M331 VanDerWaalsContact C-N 3.34Å; E329-M331 PolarHBondContact O-N 3.32Å; E329-C332 PolarHBondContact O-N 3.06Å; E329-E333 WeakPolarHBondContact O-CG 3.39Å; E329-E333 PolarHBondContact O-N 2.67Å
330	R	98.7	Very high	98.5	Very high	79 Å²	79	42.5 Å²	42.5	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-40.8	177.7	-177.5	56	-177.5	-104.5	-2.6	112.8	F326 D327 C332 E333 D334	F326-R330 HydrophobicContact CB-CB 4.21Å; F326-R330 HydrophobicContact CB-CG 4.05Å; F326-R330 HydrophobicContact CD1-CB 4.35Å; F326-R330 HydrophobicContact CD1-CG 3.57Å; F326-R330 HydrophobicContact CE1-CG 4.25Å; F326-R330 HydrophobicContact CG-CG 3.97Å; D327-R330 PolarHBondContact O-N 3.48Å; D327-R330 WeakPolarHBondContact OD1-CB 3.47Å; D327-R330 PolarHBondContact OD1-N 3.33Å; R330-C332 VanDerWaalsContact C-N 3.34Å; R330-C332 PolarHBondContact O-N 3.04Å; R330-E333 PolarHBondContact O-N 2.94Å; R330-D334 IonicContact CZ-OD1 2.78Å; R330-D334 IonicContact CZ-OD2 2.93Å; R330-D334 IonicContact NE-OD1 3.6Å; R330-D334 PolarHBondContact NE-OD1 2.94Å; R330-D334 IonicContact NE-OD2 2.88Å; R330-D334 PolarHBondContact NE-OD2 3.36Å; R330-D334 IonicContact NH2-OD1 3.46Å; R330-D334 IonicContact NH2-OD2 3.95Å; R330-D334 PolarHBondContact NH2-OD2 2.96Å; R330-D334 VanDerWaalsContact NH2-OD2 3.16Å; R330-D334 WeakPolarHBondContact O-CB 3.15Å; R330-D334 PolarHBondContact O-N 2.6Å
331	M	98.8	Very high	98.5	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-45.8	174.7	-70.2	175.3	-146.3	0	0	112.3	I191 G192 Y243 H245 T273 F326 D327 L328 E329 L335	I191-M331 HydrophobicContact CD1-CB 3.55Å; I191-M331 HydrophobicContact CD1-CG 4.09Å; I191-M331 HydrophobicContact CD1-SD 3.65Å; I191-M331 HydrophobicContact CG1-CB 3.82Å; I191-M331 HydrophobicContact CG1-CG 3.96Å; I191-M331 HydrophobicContact CG1-SD 3.59Å; I191-M331 VanDerWaalsContact CG1-SD 3.59Å; G192-M331 WeakPolarHBondContact CA-O 3.36Å; Y243-M331 WeakPolarHBondContact O-CE 3.05Å; H245-M331 HydrophobicContact CB-CE 4.21Å; H245-M331 HydrophobicContact CB-CG 3.69Å; H245-M331 HydrophobicContact CB-SD 4.43Å; T273-M331 HydrophobicContact CG2-CE 4.06Å; F326-M331 WeakPolarHBondContact O-CE 3.39Å; D327-M331 VanDerWaalsContact O-CG 3.29Å; D327-M331 WeakPolarHBondContact O-CG 3.26Å; D327-M331 PolarHBondContact O-N 3.26Å; L328-M331 PolarHBondContact O-N 3.48Å; E329-M331 VanDerWaalsContact C-N 3.34Å; E329-M331 PolarHBondContact O-N 3.32Å; M331-L335 VanDerWaalsContact O-CB 3.26Å; M331-L335 WeakPolarHBondContact O-CB 3.44Å; M331-L335 PolarHBondContact O-N 2.93Å; M331-L335 VanDerWaalsContact O-N 3.07Å
332	C	98.8	Very high	98.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.3	-39.1	179.4	-74.6	0	0	0	0	112.5	A285 M286 A289 L328 E329 R330 W336	A285-C332 VanDerWaalsContact CB-SG 3.59Å; M286-C332 HydrophobicContact CG-CB 4.47Å; M286-C332 HydrophobicContact SD-CB 3.54Å; M286-C332 VanDerWaalsContact SD-CB 3.54Å; A289-C332 HydrophobicContact CB-CB 3.71Å; L328-C332 PolarHBondContact O-N 3.1Å; L328-C332 PolarHBondContact O-SG 3.44Å; E329-C332 PolarHBondContact O-N 3.06Å; R330-C332 VanDerWaalsContact C-N 3.34Å; R330-C332 PolarHBondContact O-N 3.04Å; C332-W336 VanDerWaalsContact O-CB 3.27Å; C332-W336 WeakPolarHBondContact O-CB 3.49Å; C332-W336 PolarHBondContact O-N 3.49Å
333	E	98.8	Very high	98.2	Very high	88 Å²	88	45.4 Å²	45.4	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-46.9	176.2	-74.2	175.5	174.3	0	0	112.5	A289 E329 R330 W336 R337	A289-E333 HydrophobicContact CB-CG 4.21Å; E329-E333 WeakPolarHBondContact O-CG 3.39Å; E329-E333 PolarHBondContact O-N 2.67Å; R330-E333 PolarHBondContact O-N 2.94Å; E333-W336 PolarHBondContact O-N 2.82Å; E333-R337 WeakPolarHBondContact O-CB 3.45Å; E333-R337 PolarHBondContact O-N 3.45Å
334	D	98.9	Very high	97.8	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-69.4	-39.5	-179.5	-74.2	5.3	0	0	0	110.8	A193 H245 R330 R337 W338	A193-D334 WeakPolarHBondContact CB-O 3.37Å; H245-D334 IonicContact CE1-OD2 3.7Å; H245-D334 IonicContact NE2-OD2 2.71Å; H245-D334 PolarHBondContact NE2-OD2 3.46Å; R330-D334 IonicContact CZ-OD1 2.78Å; R330-D334 IonicContact CZ-OD2 2.93Å; R330-D334 IonicContact NE-OD1 3.6Å; R330-D334 PolarHBondContact NE-OD1 2.94Å; R330-D334 IonicContact NE-OD2 2.88Å; R330-D334 PolarHBondContact NE-OD2 3.36Å; R330-D334 IonicContact NH2-OD1 3.46Å; R330-D334 IonicContact NH2-OD2 3.95Å; R330-D334 PolarHBondContact NH2-OD2 2.96Å; R330-D334 VanDerWaalsContact NH2-OD2 3.16Å; R330-D334 WeakPolarHBondContact O-CB 3.15Å; R330-D334 PolarHBondContact O-N 2.6Å; D334-R337 VanDerWaalsContact CG-NH1 3.33Å; D334-R337 PolarHBondContact O-N 2.9Å; D334-R337 IonicContact OD1-CZ 2.75Å; D334-R337 IonicContact OD1-NH1 2.95Å; D334-R337 PolarHBondContact OD1-NH1 2.93Å; D334-R337 IonicContact OD1-NH2 2.71Å; D334-R337 PolarHBondContact OD1-NH2 3.33Å; D334-R337 IonicContact OD2-NH1 3.44Å; D334-W338 PolarHBondContact O-N 2.89Å
335	L	98.7	Very high	97.6	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-46.5	170.8	175.4	59.4	0	0	0	111.9	M211 A215 M286 M331 W338 Q339	M211-L335 HydrophobicContact CB-CD2 3.74Å; M211-L335 HydrophobicContact CE-CD2 3.89Å; A215-L335 HydrophobicContact CB-CD1 4.24Å; A215-L335 HydrophobicContact CB-CD2 4.29Å; A215-L335 HydrophobicContact CB-CG 4.17Å; M286-L335 HydrophobicContact CE-CD2 3.94Å; M286-L335 HydrophobicContact CE-CG 4.11Å; M286-L335 HydrophobicContact SD-CD2 3.83Å; M286-L335 HydrophobicContact SD-CG 4.4Å; M331-L335 VanDerWaalsContact O-CB 3.26Å; M331-L335 WeakPolarHBondContact O-CB 3.44Å; M331-L335 PolarHBondContact O-N 2.93Å; M331-L335 VanDerWaalsContact O-N 3.07Å; L335-W338 PolarHBondContact O-N 3.09Å; L335-Q339 WeakPolarHBondContact O-CB 3.42Å; L335-Q339 PolarHBondContact O-N 3.28Å
336	W	98.8	Very high	97.3	Very high	49 Å²	49	40.2 Å²	40.2	19%	0.186	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-45.2	179	174.2	-121.8	0	0	0	111.2	A218 V219 M286 K292 C332 E333 W338 Q339 S340	A218-W336 HydrophobicContact CB-CE3 4.17Å; A218-W336 HydrophobicContact CB-CH2 4.49Å; A218-W336 HydrophobicContact CB-CZ3 3.64Å; V219-W336 HydrophobicContact CG1-CE3 4.48Å; V219-W336 HydrophobicContact CG1-CH2 3.89Å; V219-W336 HydrophobicContact CG1-CZ3 3.49Å; V219-W336 VanDerWaalsContact CG1-CZ3 3.49Å; M286-W336 HydrophobicContact CE-CB 4.33Å; K292-W336 HydrophobicContact CG-CH2 4.25Å; C332-W336 VanDerWaalsContact O-CB 3.27Å; C332-W336 WeakPolarHBondContact O-CB 3.49Å; C332-W336 PolarHBondContact O-N 3.49Å; E333-W336 PolarHBondContact O-N 2.82Å; W336-W338 VanDerWaalsContact C-N 3.35Å; W336-W338 PolarHBondContact O-N 3.18Å; W336-Q339 PolarHBondContact O-N 2.92Å; W336-Q339 VanDerWaalsContact O-N 3.14Å; W336-S340 VanDerWaalsContact O-CB 3.31Å; W336-S340 WeakPolarHBondContact O-CB 3.5Å; W336-S340 PolarHBondContact O-N 3.03Å; W336-S340 PolarHBondContact O-OG 2.84Å; W336-S340 VanDerWaalsContact O-OG 3.07Å
337	R	98.8	Very high	96.4	Very high	76 Å²	76	39.8 Å²	39.8	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-57	-47.7	177.9	-168	-177.1	-49.1	101.5	13.9	111.7	S195 E333 D334 S340 M341	S195-R337 VanDerWaalsContact O-CD 3.31Å; S195-R337 WeakPolarHBondContact O-CD 3.48Å; S195-R337 PolarHBondContact O-NH1 3.25Å; E333-R337 WeakPolarHBondContact O-CB 3.45Å; E333-R337 PolarHBondContact O-N 3.45Å; D334-R337 VanDerWaalsContact CG-NH1 3.33Å; D334-R337 PolarHBondContact O-N 2.9Å; D334-R337 IonicContact OD1-CZ 2.75Å; D334-R337 IonicContact OD1-NH1 2.95Å; D334-R337 PolarHBondContact OD1-NH1 2.93Å; D334-R337 IonicContact OD1-NH2 2.71Å; D334-R337 PolarHBondContact OD1-NH2 3.33Å; D334-R337 IonicContact OD2-NH1 3.44Å; R337-S340 PolarHBondContact O-OG 3.33Å; R337-M341 HydrophobicContact CG-SD 3.78Å; R337-M341 WeakPolarHBondContact O-CB 3.25Å; R337-M341 VanDerWaalsContact O-CG 3.22Å; R337-M341 WeakPolarHBondContact O-CG 3.04Å; R337-M341 PolarHBondContact O-N 3.38Å; R337-M341 VanDerWaalsContact O-N 3.12Å
338	W	98.6	Very high	94.7	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-55.5	-55.4	172.7	160	-110.8	0	0	0	111.1	A193 Q198 I199 E201 D202 D334 L335 W336 S340 M341 N342 F346	A193-W338 HydrophobicContact CB-CB 3.5Å; A193-W338 HydrophobicContact CB-CG 4.1Å; Q198-W338 VanDerWaalsContact O-CZ3 3.27Å; Q198-W338 WeakPolarHBondContact O-CZ3 3.22Å; I199-W338 VanDerWaalsContact C-CE3 3.41Å; E201-W338 PolarHBondContact O-NE1 3.07Å; E201-W338 VanDerWaalsContact O-NE1 3.1Å; D202-W338 HydrophobicContact CB-CZ2 4.26Å; D334-W338 PolarHBondContact O-N 2.89Å; L335-W338 PolarHBondContact O-N 3.09Å; W336-W338 VanDerWaalsContact C-N 3.35Å; W336-W338 PolarHBondContact O-N 3.18Å; W338-S340 PolarHBondContact O-N 3.46Å; W338-M341 PolarHBondContact O-N 3.09Å; W338-N342 HydrophobicContact CD2-CB 4.36Å; W338-N342 HydrophobicContact CE3-CB 4.13Å; W338-N342 HydrophobicContact CH2-CB 3.8Å; W338-N342 HydrophobicContact CZ2-CB 4.11Å; W338-N342 HydrophobicContact CZ3-CB 3.83Å; W338-N342 WeakPolarHBondContact CZ3-ND2 3.13Å; W338-N342 WeakPolarHBondContact O-CB 3.46Å; W338-N342 PolarHBondContact O-N 3.41Å; W338-N342 PolarHBondContact O-ND2 3.48Å; W338-F346 AromaticContact CH2-CD1 3.54Å; W338-F346 HydrophobicContact CH2-CD1 3.54Å; W338-F346 HydrophobicContact CH2-CD2 4.32Å; W338-F346 AromaticContact CH2-CE1 3.28Å; W338-F346 HydrophobicContact CH2-CE1 3.28Å; W338-F346 HydrophobicContact CH2-CE2 4.1Å; W338-F346 HydrophobicContact CH2-CG 4.06Å; W338-F346 AromaticContact CH2-CZ 3.58Å; W338-F346 HydrophobicContact CH2-CZ 3.58Å; W338-F346 HydrophobicContact CZ2-CD1 4.47Å; W338-F346 HydrophobicContact CZ2-CE1 4.22Å; W338-F346 HydrophobicContact CZ2-CE2 4.27Å; W338-F346 HydrophobicContact CZ2-CZ 4.11Å; W338-F346 HydrophobicContact CZ3-CD1 4.27Å; W338-F346 AromaticContact CZ3-CE1 3.74Å; W338-F346 HydrophobicContact CZ3-CE1 3.74Å; W338-F346 HydrophobicContact CZ3-CZ 4.18Å
339	Q	98	Very high	92.4	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-35.1	-172.3	-173.9	64	87	0	0	112.7	A215 V219 L335 W336 N342 P343	A215-Q339 HydrophobicContact CB-CB 4.01Å; A215-Q339 HydrophobicContact CB-CG 3.72Å; V219-Q339 HydrophobicContact CB-CG 4.47Å; V219-Q339 HydrophobicContact CG1-CG 3.64Å; V219-Q339 HydrophobicContact CG2-CG 3.98Å; L335-Q339 WeakPolarHBondContact O-CB 3.42Å; L335-Q339 PolarHBondContact O-N 3.28Å; W336-Q339 PolarHBondContact O-N 2.92Å; W336-Q339 VanDerWaalsContact O-N 3.14Å; Q339-N342 PolarHBondContact NE2-O 2.82Å; Q339-N342 CarbonylContact O-C 3.57Å; Q339-N342 PolarHBondContact O-N 2.82Å; Q339-P343 PolarHBondContact NE2-O 3.44Å; Q339-P343 VanDerWaalsContact O-CA 3.26Å; Q339-P343 WeakPolarHBondContact O-CA 3.42Å
340	S	97.8	Very high	89.7	Confident	53 Å²	53	45.1 Å²	45.1	37%	0.371	25%	0.247	S	C	.	.	H	α-helix	trans	-73.4	-35.2	179.3	68.3	0	0	0	0	112.3	W336 R337 W338 N342	W336-S340 VanDerWaalsContact O-CB 3.31Å; W336-S340 WeakPolarHBondContact O-CB 3.5Å; W336-S340 PolarHBondContact O-N 3.03Å; W336-S340 PolarHBondContact O-OG 2.84Å; W336-S340 VanDerWaalsContact O-OG 3.07Å; R337-S340 PolarHBondContact O-OG 3.33Å; W338-S340 PolarHBondContact O-N 3.46Å; S340-N342 VanDerWaalsContact C-N 3.34Å
341	M	97.3	Very high	86.9	Confident	93 Å²	93	46.9 Å²	46.9	46%	0.458	27%	0.269	S	S	.	.	H	α-helix	trans	-76.7	-24.8	174.7	-69	174.6	62.9	0	0	112.1	R337 W338	R337-M341 HydrophobicContact CG-SD 3.78Å; R337-M341 WeakPolarHBondContact O-CB 3.25Å; R337-M341 VanDerWaalsContact O-CG 3.22Å; R337-M341 WeakPolarHBondContact O-CG 3.04Å; R337-M341 PolarHBondContact O-N 3.38Å; R337-M341 VanDerWaalsContact O-N 3.12Å; W338-M341 PolarHBondContact O-N 3.09Å
342	N	95.9	Very high	84.2	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.08	31%	0.314	C	S	.	.			trans	-130	66	-175.7	-53.6	-87.3	0	0	0	109.5	R53 G197 W338 Q339 S340 T344 G345	R53-N342 PolarHBondContact NH1-OD1 2.96Å; R53-N342 PolarHBondContact NH2-OD1 2.83Å; G197-N342 PolarHBondContact O-ND2 3.16Å; W338-N342 HydrophobicContact CD2-CB 4.36Å; W338-N342 HydrophobicContact CE3-CB 4.13Å; W338-N342 HydrophobicContact CH2-CB 3.8Å; W338-N342 HydrophobicContact CZ2-CB 4.11Å; W338-N342 HydrophobicContact CZ3-CB 3.83Å; W338-N342 WeakPolarHBondContact CZ3-ND2 3.13Å; W338-N342 WeakPolarHBondContact O-CB 3.46Å; W338-N342 PolarHBondContact O-N 3.41Å; W338-N342 PolarHBondContact O-ND2 3.48Å; Q339-N342 PolarHBondContact NE2-O 2.82Å; Q339-N342 CarbonylContact O-C 3.57Å; Q339-N342 PolarHBondContact O-N 2.82Å; S340-N342 VanDerWaalsContact C-N 3.34Å; N342-T344 PolarHBondContact O-N 3.19Å; N342-T344 VanDerWaalsContact O-N 3.13Å; N342-G345 PolarHBondContact O-N 3.32Å
343	P	94.4	Very high	83.5	Confident	63 Å²	63	56 Å²	56	41%	0.409	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.5	-172.1	21	-32.6	0	0	0	111.8	R221 Q339	R221-P343 WeakPolarHBondContact CD-O 3.44Å; R221-P343 PolarHBondContact NH1-O 3.34Å; Q339-P343 PolarHBondContact NE2-O 3.44Å; Q339-P343 VanDerWaalsContact O-CA 3.26Å; Q339-P343 WeakPolarHBondContact O-CA 3.42Å
344	T	91.6	Very high	82.7	Confident	46 Å²	46	54.3 Å²	54.3	28%	0.282	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	14	178.3	51.6	0	0	0	0	114.3	N342 T347 G349	N342-T344 PolarHBondContact O-N 3.19Å; N342-T344 VanDerWaalsContact O-N 3.13Å; T344-T347 PolarHBondContact O-OG1 3.21Å; T344-T347 PolarHBondContact OG1-O 2.78Å; T344-G349 PolarHBondContact OG1-N 3.19Å
345	G	93.4	Very high	81.8	Confident	4 Å²	4	57.2 Å²	57.2	4%	0.041	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-145.8	-174.9	0	0	0	0	0	112.2	D202 N342 T347	D202-G345 WeakPolarHBondContact OD1-CA 3.32Å; N342-G345 PolarHBondContact O-N 3.32Å; G345-T347 VanDerWaalsContact C-N 3.3Å
346	F	92.1	Very high	80.8	Confident	15 Å²	15	60.4 Å²	60.4	7%	0.066	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.9	179.8	-72	-58.4	0	0	0	113.2	V39 E49 I199 D202 W338	V39-F346 HydrophobicContact CB-CB 3.82Å; V39-F346 HydrophobicContact CB-CD2 4.36Å; V39-F346 HydrophobicContact CB-CG 4.49Å; V39-F346 HydrophobicContact CG1-CB 3.82Å; V39-F346 HydrophobicContact CG2-CB 4.04Å; V39-F346 HydrophobicContact CG2-CD2 4.34Å; E49-F346 HydrophobicContact CB-CB 4.08Å; E49-F346 HydrophobicContact CB-CD1 4.31Å; E49-F346 HydrophobicContact CB-CG 4.27Å; E49-F346 HydrophobicContact CG-CB 3.73Å; E49-F346 HydrophobicContact CG-CD1 3.64Å; E49-F346 HydrophobicContact CG-CG 3.93Å; I199-F346 HydrophobicContact CB-CZ 4.33Å; I199-F346 HydrophobicContact CG2-CE1 4.31Å; I199-F346 HydrophobicContact CG2-CZ 4.37Å; D202-F346 HydrophobicContact CB-CD2 3.44Å; D202-F346 VanDerWaalsContact CB-CD2 3.44Å; D202-F346 HydrophobicContact CB-CE2 3.74Å; D202-F346 HydrophobicContact CB-CG 4.4Å; D202-F346 WeakPolarHBondContact OD2-CB 3.38Å; D202-F346 WeakPolarHBondContact OD2-CD2 3.47Å; D202-F346 PolarHBondContact OD2-N 3.42Å; W338-F346 AromaticContact CH2-CD1 3.54Å; W338-F346 HydrophobicContact CH2-CD1 3.54Å; W338-F346 HydrophobicContact CH2-CD2 4.32Å; W338-F346 AromaticContact CH2-CE1 3.28Å; W338-F346 HydrophobicContact CH2-CE1 3.28Å; W338-F346 HydrophobicContact CH2-CE2 4.1Å; W338-F346 HydrophobicContact CH2-CG 4.06Å; W338-F346 AromaticContact CH2-CZ 3.58Å; W338-F346 HydrophobicContact CH2-CZ 3.58Å; W338-F346 HydrophobicContact CZ2-CD1 4.47Å; W338-F346 HydrophobicContact CZ2-CE1 4.22Å; W338-F346 HydrophobicContact CZ2-CE2 4.27Å; W338-F346 HydrophobicContact CZ2-CZ 4.11Å; W338-F346 HydrophobicContact CZ3-CD1 4.27Å; W338-F346 AromaticContact CZ3-CE1 3.74Å; W338-F346 HydrophobicContact CZ3-CE1 3.74Å; W338-F346 HydrophobicContact CZ3-CZ 4.18Å
347	T	80.9	Confident	79.7	Confident	41 Å²	41	61.1 Å²	61.1	25%	0.252	37%	0.373	S	S	.	.	S	Bend	trans	-80.1	133.5	178	62.7	0	0	0	0	111.3	V39 T344 G345 G349 V350	V39-T347 HydrophobicContact CG1-CG2 3.89Å; T344-T347 PolarHBondContact O-OG1 3.21Å; T344-T347 PolarHBondContact OG1-O 2.78Å; G345-T347 VanDerWaalsContact C-N 3.3Å; T347-G349 PolarHBondContact O-N 3.15Å; T347-V350 PolarHBondContact OG1-O 3.31Å
348	N	60.9	Low	78.4	Confident	155 Å²	155	60.1 Å²	60.1	83%	0.829	38%	0.379	S	S	*	.	S	Bend	trans	-73.5	63	176.9	-73.3	-26.4	0	0	0	111.7	V350	N348-V350 VanDerWaalsContact C-N 3.33Å; N348-V350 PolarHBondContact O-N 2.77Å
349	G	51.2	Low	77	Confident	49 Å²	49	64.3 Å²	64.3	51%	0.505	41%	0.406	S	S	.	.	S	Bend	trans	75.5	11.1	170.5	0	0	0	0	0	116.3	T344 T347 P351	T344-G349 PolarHBondContact OG1-N 3.19Å; T347-G349 PolarHBondContact O-N 3.15Å; G349-P351 WeakPolarHBondContact O-CD 3.44Å
350	V	41.7	Very low	75.4	Confident	107 Å²	107	68.8 Å²	68.8	65%	0.648	44%	0.435	S	S	*	.			trans	-87.2	110.3	165.2	-173	0	0	0	0	107.2	T347 N348 S352	T347-V350 PolarHBondContact OG1-O 3.31Å; N348-V350 VanDerWaalsContact C-N 3.33Å; N348-V350 PolarHBondContact O-N 2.77Å; V350-S352 PolarHBondContact O-N 2.74Å
351	P	39.5	Very low	73.5	Confident	116 Å²	116	70.2 Å²	70.2	75%	0.753	44%	0.441	S	S	*	.			trans	-62.9	130	175.3	-13.5	28.5	0	0	0	108.8	G349	G349-P351 WeakPolarHBondContact O-CD 3.44Å
352	S	42.9	Very low	71.3	Confident	138 Å²	138	68.1 Å²	68.1	97%	0.965	44%	0.439	S	S	*	.			trans	-67.9	0	164.4	62.1	0	0	0	0	111.2	V350	V350-S352 PolarHBondContact O-N 2.74Å

Retrieved 352 of 352 residues in 1223.6 ms (Link to these results)

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