A0A3Q0KDZ1_SCHMA Loading...

Tubulin beta chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A3Q0KDZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 443 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	66.9	Low	93.4	Very high	114 Å²	114	31.3 Å²	31.3	56%	0.562	14%	0.141	S	C	*	.				0	-147.8	0	-132.2	169.3	-66.2	0	0	105.4	E3 R46 N48 C129	M1-E3 VanDerWaalsContact CA-OE1 3.27Å; M1-E3 WeakPolarHBondContact CA-OE1 3.32Å; M1-E3 WeakPolarHBondContact CB-OE1 3.34Å; M1-E3 PolarHBondContact N-OE1 3.45Å; M1-R46 HydrophobicContact SD-CB 4.24Å; M1-R46 HydrophobicContact SD-CG 4.22Å; M1-N48 WeakPolarHBondContact CB-ND2 3.46Å; M1-N48 WeakPolarHBondContact CB-OD1 3.44Å; M1-N48 WeakPolarHBondContact CE-OD1 2.84Å; M1-N48 PolarHBondContact SD-OD1 3.1Å; M1-C129 VanDerWaalsContact O-CB 3.25Å; M1-C129 WeakPolarHBondContact O-CB 3.41Å
2	R	86.8	Confident	93.5	Very high	112 Å²	112	31.3 Å²	31.3	42%	0.423	15%	0.147	S	C	.	.			trans	-119.2	97.6	175	-80.2	174.1	170	176.5	-13.6	110.5	C129 Q131 D249	R2-C129 WeakPolarHBondContact CA-O 3.12Å; R2-Q131 HydrophobicContact CB-CB 4.26Å; R2-D249 IonicContact CZ-OD2 3.95Å; R2-D249 VanDerWaalsContact NH1-CB 3.34Å; R2-D249 IonicContact NH1-OD2 3.92Å; R2-D249 PolarHBondContact NH1-OD2 2.87Å; R2-D249 IonicContact NH2-OD2 3.71Å
3	E	95.5	Very high	93.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	154.5	-168.4	-56.7	78.7	-158.8	0	0	113.2	M1 N48 C127 D128 C129 Q131	M1-E3 VanDerWaalsContact CA-OE1 3.27Å; M1-E3 WeakPolarHBondContact CA-OE1 3.32Å; M1-E3 WeakPolarHBondContact CB-OE1 3.34Å; M1-E3 PolarHBondContact N-OE1 3.45Å; E3-N48 VanDerWaalsContact CG-O 3.26Å; E3-N48 WeakPolarHBondContact CG-O 3.3Å; E3-N48 PolarHBondContact OE1-ND2 3.48Å; E3-C127 HydrophobicContact CB-CB 3.93Å; E3-C127 HydrophobicContact CG-CB 4.32Å; E3-D128 PolarHBondContact OE2-N 3.33Å; E3-C129 PolarHBondContact N-O 3.18Å; E3-C129 VanDerWaalsContact N-O 3.11Å; E3-C129 WeakPolarHBondContact OE2-CA 3.2Å; E3-C129 PolarHBondContact OE2-N 3.09Å; E3-Q131 WeakPolarHBondContact O-CB 3.48Å; E3-Q131 PolarHBondContact O-N 3.15Å
4	I	96.9	Very high	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.9	178.5	-62.1	169.7	0	0	0	108.5	V49 Y50 G132 Q134 L240 L250	I4-V49 HydrophobicContact CD1-CG1 4.02Å; I4-V49 HydrophobicContact CG1-CG1 4.27Å; I4-V49 PolarHBondContact N-O 3.31Å; I4-Y50 HydrophobicContact CB-CD1 4.46Å; I4-Y50 HydrophobicContact CB-CE1 4Å; I4-Y50 HydrophobicContact CD1-CE2 4.2Å; I4-Y50 HydrophobicContact CG2-CE1 3.79Å; I4-G132 WeakPolarHBondContact CA-O 3.27Å; I4-Q134 HydrophobicContact CG2-CB 3.76Å; I4-L240 HydrophobicContact CD1-CD1 3.64Å; I4-L250 HydrophobicContact CD1-CD1 3.77Å; I4-L250 HydrophobicContact CD1-CG 4.27Å; I4-L250 HydrophobicContact CG1-CD1 4.04Å
5	V	98.3	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.8	168.6	175.6	0	0	0	0	108.3	I7 I64 E123 L130 G132 F133 Q134	V5-I7 HydrophobicContact CG1-CG1 4.38Å; V5-I64 HydrophobicContact CG1-CD1 3.75Å; V5-I64 HydrophobicContact CG1-CG1 4.3Å; V5-E123 HydrophobicContact CG1-CB 4.09Å; V5-E123 HydrophobicContact CG2-CB 4Å; V5-L130 HydrophobicContact CG2-CD1 3.89Å; V5-G132 PolarHBondContact N-O 3Å; V5-F133 HydrophobicContact CB-CD1 3.78Å; V5-F133 HydrophobicContact CB-CE1 4.02Å; V5-F133 HydrophobicContact CG1-CD1 4.11Å; V5-F133 HydrophobicContact CG1-CE1 4.33Å; V5-F133 HydrophobicContact CG2-CE1 4.39Å; V5-F133 WeakPolarHBondContact O-CA 3.4Å; V5-Q134 PolarHBondContact O-N 2.71Å
6	H	98.4	Very high	94.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.5	-179	-175.7	-107.3	0	0	0	110.9	Q8 W21 Y50 R62 A63 I64 Q134 T136	H6-Q8 WeakPolarHBondContact CE1-CG 3.26Å; H6-Q8 PolarHBondContact CE1-NE2 3.24Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.34Å; H6-Q8 PolarHBondContact ND1-NE2 2.94Å; H6-W21 HydrophobicContact CB-CZ2 3.86Å; H6-W21 AromaticContact ND1-NE1 3.52Å; H6-Y50 HydrophobicContact CB-CD1 4.48Å; H6-Y50 HydrophobicContact CB-CE1 4.26Å; H6-R62 PolarHBondContact N-O 3.37Å; H6-A63 CarbonylContact O-C 3.55Å; H6-A63 VanDerWaalsContact O-CA 3.28Å; H6-A63 WeakPolarHBondContact O-CA 3.4Å; H6-I64 PolarHBondContact O-N 3.36Å; H6-Q134 CarbonylContact C-O 3.46Å; H6-Q134 VanDerWaalsContact CA-O 3.31Å; H6-Q134 WeakPolarHBondContact CA-O 3.33Å; H6-Q134 PolarHBondContact CD2-O 2.71Å; H6-Q134 PolarHBondContact CD2-OE1 3.42Å; H6-Q134 VanDerWaalsContact CD2-OE1 3.28Å; H6-T136 PolarHBondContact NE2-OG1 3.28Å; H6-T136 VanDerWaalsContact NE2-OG1 3.1Å
7	I	98.7	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.6	-177.4	-54.2	172.6	0	0	0	108.7	V5 I64 V66 V120 F133 Q134 L135 T136 I155	V5-I7 HydrophobicContact CG1-CG1 4.38Å; I7-I64 WeakPolarHBondContact CA-O 3.37Å; I7-I64 HydrophobicContact CG1-CB 4.43Å; I7-I64 HydrophobicContact CG1-CD1 4.42Å; I7-V66 HydrophobicContact CG2-CG2 4.43Å; I7-V120 HydrophobicContact CD1-CG2 4.03Å; I7-F133 HydrophobicContact CD1-CD1 4.2Å; I7-Q134 PolarHBondContact N-O 2.79Å; I7-L135 HydrophobicContact CB-CB 4.43Å; I7-L135 HydrophobicContact CB-CD1 4.3Å; I7-L135 HydrophobicContact CB-CG 4.39Å; I7-L135 HydrophobicContact CG2-CD1 4.08Å; I7-L135 HydrophobicContact CG2-CG 4.49Å; I7-L135 CarbonylContact O-C 3.16Å; I7-L135 VanDerWaalsContact O-CA 3.31Å; I7-L135 WeakPolarHBondContact O-CA 3.3Å; I7-T136 PolarHBondContact O-N 2.96Å; I7-I155 HydrophobicContact CD1-CD1 3.34Å
8	Q	98.2	Very high	94.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.6	179.3	-64.3	167.3	6.9	0	0	108.4	H6 N14 G17 I64 L65 V66	H6-Q8 WeakPolarHBondContact CE1-CG 3.26Å; H6-Q8 PolarHBondContact CE1-NE2 3.24Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.34Å; H6-Q8 PolarHBondContact ND1-NE2 2.94Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.29Å; Q8-N14 PolarHBondContact OE1-OD1 3.29Å; Q8-G17 VanDerWaalsContact NE2-C 3.26Å; Q8-G17 PolarHBondContact NE2-O 3.27Å; Q8-I64 PolarHBondContact N-O 3.02Å; Q8-L65 VanDerWaalsContact OE1-CD2 3.27Å; Q8-V66 PolarHBondContact O-N 3.47Å
9	A	97.8	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.9	-175.7	0	0	0	0	0	112.1	T136 H137	A9-T136 PolarHBondContact N-O 3.02Å; A9-H137 HydrophobicContact CB-CB 4.21Å
10	G	96.2	Very high	94.7	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	72.6	176	177.6	0	0	0	0	0	114.1	C12 G13 N14 V66	G10-C12 PolarHBondContact O-N 3.07Å; G10-G13 PolarHBondContact O-N 3.36Å; G10-N14 WeakPolarHBondContact O-CB 3.46Å; G10-N14 PolarHBondContact O-N 3.11Å; G10-N14 PolarHBondContact O-ND2 2.99Å; G10-V66 PolarHBondContact N-O 2.89Å
11	Q	94.3	Very high	94.8	Very high	116 Å²	116	25.3 Å²	25.3	54%	0.542	12%	0.123	S	C	.	.	H	α-helix	trans	-52.1	-50.3	-176.1	-174.5	-176.8	-29.6	0	0	113.2	Q15 D67	Q11-Q15 WeakPolarHBondContact O-CB 3.35Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.45Å; Q11-Q15 PolarHBondContact O-N 3.06Å; Q11-D67 PolarHBondContact N-OD2 3.31Å
12	C	93.7	Very high	96.2	Very high	32 Å²	32	23.5 Å²	23.5	22%	0.216	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-47.7	-179.6	179.1	0	0	0	0	111.9	G10 N14 Q15 I16	G10-C12 PolarHBondContact O-N 3.07Å; C12-N14 PolarHBondContact O-N 2.99Å; C12-Q15 PolarHBondContact O-N 3.28Å; C12-I16 WeakPolarHBondContact O-CG1 3.46Å; C12-I16 PolarHBondContact O-N 2.94Å
13	G	96.7	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-42.8	-179.7	0	0	0	0	0	113	G10 G17 T136	G10-G13 PolarHBondContact O-N 3.36Å; G13-G17 WeakPolarHBondContact O-CA 3.09Å; G13-G17 PolarHBondContact O-N 3.03Å; G13-T136 VanDerWaalsContact CA-O 3.25Å; G13-T136 WeakPolarHBondContact CA-O 3.21Å
14	N	97.2	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-70.2	-36.5	177.7	-74.1	-71.1	0	0	0	112.9	Q8 G10 C12 A18 L65 V66 T72 M73 V76	Q8-N14 WeakPolarHBondContact CB-OD1 3.29Å; Q8-N14 PolarHBondContact OE1-OD1 3.29Å; G10-N14 WeakPolarHBondContact O-CB 3.46Å; G10-N14 PolarHBondContact O-N 3.11Å; G10-N14 PolarHBondContact O-ND2 2.99Å; C12-N14 PolarHBondContact O-N 2.99Å; N14-A18 VanDerWaalsContact O-CB 3.26Å; N14-A18 WeakPolarHBondContact O-CB 3.46Å; N14-A18 PolarHBondContact O-N 3.25Å; N14-L65 WeakPolarHBondContact OD1-CB 3.47Å; N14-V66 PolarHBondContact ND2-O 3.35Å; N14-T72 HydrophobicContact CB-CG2 3.51Å; N14-M73 HydrophobicContact CB-CE 4.24Å; N14-M73 VanDerWaalsContact CG-CE 3.42Å; N14-M73 WeakPolarHBondContact ND2-CE 3.38Å; N14-M73 WeakPolarHBondContact OD1-CE 3.14Å; N14-V76 HydrophobicContact CB-CG2 4.27Å
15	Q	95.6	Very high	96.5	Very high	75 Å²	75	19.4 Å²	19.4	35%	0.35	10%	0.1	S	C	.	.	H	α-helix	trans	-68.7	-43.6	177.2	-73	-177.9	14.6	0	0	112.4	Q11 C12 K19	Q11-Q15 WeakPolarHBondContact O-CB 3.35Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.45Å; Q11-Q15 PolarHBondContact O-N 3.06Å; C12-Q15 PolarHBondContact O-N 3.28Å; Q15-K19 PolarHBondContact O-N 2.96Å
16	I	96.6	Very high	96.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-64.4	-46.9	173.7	-68.6	168.4	0	0	0	109.5	C12 A18 K19 F20 T136 V169 N226 V229 M233	C12-I16 WeakPolarHBondContact O-CG1 3.46Å; C12-I16 PolarHBondContact O-N 2.94Å; I16-A18 PolarHBondContact O-N 3.18Å; I16-K19 CarbonylContact O-C 3.5Å; I16-K19 PolarHBondContact O-N 2.98Å; I16-K19 VanDerWaalsContact O-N 3.13Å; I16-F20 PolarHBondContact O-N 3.05Å; I16-T136 HydrophobicContact CB-CG2 3.86Å; I16-T136 HydrophobicContact CD1-CG2 4.31Å; I16-T136 HydrophobicContact CG2-CG2 3.63Å; I16-V169 HydrophobicContact CD1-CG2 3.49Å; I16-V169 VanDerWaalsContact CD1-CG2 3.49Å; I16-N226 HydrophobicContact CG1-CB 4.3Å; I16-N226 VanDerWaalsContact CG1-OD1 3.29Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.13Å; I16-V229 HydrophobicContact CD1-CG1 4.29Å; I16-V229 HydrophobicContact CG2-CB 4.21Å; I16-V229 HydrophobicContact CG2-CG1 3.53Å; I16-M233 HydrophobicContact CG2-SD 3.55Å; I16-M233 VanDerWaalsContact CG2-SD 3.55Å
17	G	97	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-44.2	-179.7	0	0	0	0	0	113.6	Q8 G13 K19 F20 W21	Q8-G17 VanDerWaalsContact NE2-C 3.26Å; Q8-G17 PolarHBondContact NE2-O 3.27Å; G13-G17 WeakPolarHBondContact O-CA 3.09Å; G13-G17 PolarHBondContact O-N 3.03Å; G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 2.9Å; G17-F20 WeakPolarHBondContact O-CB 3.29Å; G17-F20 PolarHBondContact O-N 3.13Å; G17-W21 PolarHBondContact O-N 3.2Å
18	A	96.3	Very high	95.7	Very high	30 Å²	30	23.1 Å²	23.1	25%	0.248	12%	0.12	C	C	.	.	H	α-helix	trans	-59	-42.2	174.5	0	0	0	0	0	111.6	N14 I16 W21 E22 V76	N14-A18 VanDerWaalsContact O-CB 3.26Å; N14-A18 WeakPolarHBondContact O-CB 3.46Å; N14-A18 PolarHBondContact O-N 3.25Å; I16-A18 PolarHBondContact O-N 3.18Å; A18-W21 PolarHBondContact O-N 2.97Å; A18-E22 PolarHBondContact O-N 3.45Å; A18-E22 VanDerWaalsContact O-N 3.13Å; A18-V76 HydrophobicContact CB-CG2 4.49Å
19	K	96.2	Very high	95.5	Very high	50 Å²	50	23.4 Å²	23.4	22%	0.217	12%	0.123	C	C	.	.	H	α-helix	trans	-70.1	-33.7	176.4	-169.9	53.1	170.8	180	0	112.6	Q15 I16 G17 E22 V23 N226	Q15-K19 PolarHBondContact O-N 2.96Å; I16-K19 CarbonylContact O-C 3.5Å; I16-K19 PolarHBondContact O-N 2.98Å; I16-K19 VanDerWaalsContact O-N 3.13Å; G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 2.9Å; K19-E22 HydrophobicContact CD-CB 4.49Å; K19-E22 WeakPolarHBondContact CD-OE2 3.49Å; K19-E22 IonicContact NZ-OE1 3.01Å; K19-E22 PolarHBondContact NZ-OE1 3.07Å; K19-E22 IonicContact NZ-OE2 3.21Å; K19-E22 PolarHBondContact NZ-OE2 3.37Å; K19-E22 PolarHBondContact O-N 3.15Å; K19-V23 WeakPolarHBondContact O-CG2 3.45Å; K19-V23 PolarHBondContact O-N 3.38Å; K19-V23 VanDerWaalsContact O-N 3.13Å; K19-N226 HydrophobicContact CB-CB 4.47Å
20	F	97.2	Very high	95.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-49.4	172.4	171.4	-109.6	0	0	0	111.5	I16 G17 E22 V23 I24 Y50 M233	I16-F20 PolarHBondContact O-N 3.05Å; G17-F20 WeakPolarHBondContact O-CB 3.29Å; G17-F20 PolarHBondContact O-N 3.13Å; F20-E22 VanDerWaalsContact C-N 3.32Å; F20-E22 PolarHBondContact O-N 3.19Å; F20-V23 PolarHBondContact O-N 3.47Å; F20-V23 VanDerWaalsContact O-N 3.08Å; F20-I24 HydrophobicContact CD1-CD1 4.31Å; F20-I24 HydrophobicContact CD2-CG2 4.01Å; F20-I24 HydrophobicContact CE1-CD1 3.66Å; F20-I24 HydrophobicContact CE1-CG1 4.32Å; F20-I24 HydrophobicContact CE2-CD1 4.49Å; F20-I24 HydrophobicContact CE2-CG2 3.48Å; F20-I24 VanDerWaalsContact CE2-CG2 3.48Å; F20-I24 HydrophobicContact CZ-CD1 3.77Å; F20-I24 HydrophobicContact CZ-CG1 4.34Å; F20-I24 HydrophobicContact CZ-CG2 3.81Å; F20-I24 WeakPolarHBondContact O-CG1 3.41Å; F20-I24 PolarHBondContact O-N 3.46Å; F20-Y50 HydrophobicContact CE1-CE1 4.24Å; F20-Y50 HydrophobicContact CZ-CE1 4.32Å; F20-Y50 HydrophobicContact CZ-CE2 4.47Å; F20-M233 HydrophobicContact CB-CE 4.06Å; F20-M233 HydrophobicContact CB-SD 4.23Å; F20-M233 HydrophobicContact CD1-CE 4.11Å; F20-M233 HydrophobicContact CD2-CB 3.59Å; F20-M233 HydrophobicContact CD2-CE 4Å; F20-M233 HydrophobicContact CD2-SD 4.33Å; F20-M233 HydrophobicContact CE2-CB 3.77Å; F20-M233 HydrophobicContact CE2-CE 4.47Å; F20-M233 HydrophobicContact CG-CB 4.48Å; F20-M233 HydrophobicContact CG-CE 3.78Å; F20-M233 HydrophobicContact CG-SD 4.37Å
21	W	97.3	Very high	95.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-35.2	177.8	-72.8	110.4	0	0	0	113.3	H6 G17 A18 I24 S25 Y50 Y51 P61 A63 F85	H6-W21 HydrophobicContact CB-CZ2 3.86Å; H6-W21 AromaticContact ND1-NE1 3.52Å; G17-W21 PolarHBondContact O-N 3.2Å; A18-W21 PolarHBondContact O-N 2.97Å; W21-I24 HydrophobicContact CD2-CD1 4.19Å; W21-I24 HydrophobicContact CE3-CD1 3.43Å; W21-I24 VanDerWaalsContact CE3-CD1 3.43Å; W21-I24 HydrophobicContact CE3-CG1 3.91Å; W21-I24 HydrophobicContact CH2-CD1 4.19Å; W21-I24 HydrophobicContact CZ3-CD1 3.44Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.44Å; W21-I24 HydrophobicContact CZ3-CG1 4.37Å; W21-S25 WeakPolarHBondContact O-CB 3.29Å; W21-S25 PolarHBondContact O-N 3.34Å; W21-S25 PolarHBondContact O-OG 3.4Å; W21-Y50 AromaticContact CH2-CD1 3.78Å; W21-Y50 HydrophobicContact CH2-CD1 3.78Å; W21-Y50 HydrophobicContact CH2-CG 4.17Å; W21-Y50 WeakPolarHBondContact CH2-O 3.42Å; W21-Y50 HydrophobicContact CZ2-CD1 4.35Å; W21-Y51 HydrophobicContact CE3-CE1 4.31Å; W21-Y51 HydrophobicContact CE3-CE2 4.48Å; W21-Y51 AromaticContact CE3-CZ 3.91Å; W21-Y51 HydrophobicContact CZ3-CD2 4.49Å; W21-Y51 HydrophobicContact CZ3-CE1 4.12Å; W21-Y51 AromaticContact CZ3-CE2 3.96Å; W21-Y51 HydrophobicContact CZ3-CE2 3.96Å; W21-Y51 AromaticContact CZ3-CZ 3.75Å; W21-P61 HydrophobicContact CD2-CB 3.99Å; W21-P61 HydrophobicContact CD2-CG 4.14Å; W21-P61 HydrophobicContact CE3-CB 3.73Å; W21-P61 HydrophobicContact CE3-CG 3.71Å; W21-P61 HydrophobicContact CH2-CB 3.54Å; W21-P61 HydrophobicContact CH2-CG 4.39Å; W21-P61 HydrophobicContact CZ2-CB 3.79Å; W21-P61 HydrophobicContact CZ3-CB 3.5Å; W21-P61 VanDerWaalsContact CZ3-CB 3.5Å; W21-P61 HydrophobicContact CZ3-CG 3.85Å; W21-A63 HydrophobicContact CZ2-CB 3.55Å; W21-F85 HydrophobicContact CB-CE1 4.25Å; W21-F85 HydrophobicContact CB-CZ 3.82Å; W21-F85 AromaticContact CD1-CE1 3.34Å; W21-F85 AromaticContact CD1-CZ 3.4Å; W21-F85 VanDerWaalsContact CD1-CZ 3.4Å; W21-F85 HydrophobicContact CD2-CE1 4.03Å; W21-F85 HydrophobicContact CD2-CZ 4.49Å; W21-F85 AromaticContact CG-CE1 3.63Å; W21-F85 HydrophobicContact CG-CE1 3.63Å; W21-F85 AromaticContact CG-CZ 3.65Å; W21-F85 HydrophobicContact CG-CZ 3.65Å; W21-F85 AromaticContact NE1-CE1 3.59Å
22	E	95.6	Very high	95.4	Very high	75 Å²	75	22.3 Å²	22.3	35%	0.35	12%	0.123	S	C	.	.	H	α-helix	trans	-58	-49.6	170.1	177.4	-172.4	154	0	0	111	A18 K19 F20 D26 F81	A18-E22 PolarHBondContact O-N 3.45Å; A18-E22 VanDerWaalsContact O-N 3.13Å; K19-E22 HydrophobicContact CD-CB 4.49Å; K19-E22 WeakPolarHBondContact CD-OE2 3.49Å; K19-E22 IonicContact NZ-OE1 3.01Å; K19-E22 PolarHBondContact NZ-OE1 3.07Å; K19-E22 IonicContact NZ-OE2 3.21Å; K19-E22 PolarHBondContact NZ-OE2 3.37Å; K19-E22 PolarHBondContact O-N 3.15Å; F20-E22 VanDerWaalsContact C-N 3.32Å; F20-E22 PolarHBondContact O-N 3.19Å; E22-D26 PolarHBondContact O-N 2.96Å; E22-D26 VanDerWaalsContact O-N 3.08Å; E22-F81 HydrophobicContact CB-CD2 4.06Å; E22-F81 HydrophobicContact CB-CE2 3.96Å; E22-F81 HydrophobicContact CB-CZ 4.49Å; E22-F81 HydrophobicContact CG-CD2 4.17Å; E22-F81 HydrophobicContact CG-CE2 3.63Å; E22-F81 HydrophobicContact CG-CZ 4.21Å
23	V	94.7	Very high	95.4	Very high	26 Å²	26	24 Å²	24	16%	0.158	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-50.2	-177.8	170	0	0	0	0	111.6	K19 F20 D26 E27 S230	K19-V23 WeakPolarHBondContact O-CG2 3.45Å; K19-V23 PolarHBondContact O-N 3.38Å; K19-V23 VanDerWaalsContact O-N 3.13Å; F20-V23 PolarHBondContact O-N 3.47Å; F20-V23 VanDerWaalsContact O-N 3.08Å; V23-D26 PolarHBondContact O-N 3.46Å; V23-E27 WeakPolarHBondContact O-CG 3.31Å; V23-E27 PolarHBondContact O-N 2.91Å; V23-E27 VanDerWaalsContact O-N 3.1Å; V23-S230 WeakPolarHBondContact CG2-OG 3.39Å
24	I	95.1	Very high	95.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72.8	-29.7	-177.7	63.2	161.9	0	0	0	112.4	F20 W21 E27 H28 Y50 Y51	F20-I24 HydrophobicContact CD1-CD1 4.31Å; F20-I24 HydrophobicContact CD2-CG2 4.01Å; F20-I24 HydrophobicContact CE1-CD1 3.66Å; F20-I24 HydrophobicContact CE1-CG1 4.32Å; F20-I24 HydrophobicContact CE2-CD1 4.49Å; F20-I24 HydrophobicContact CE2-CG2 3.48Å; F20-I24 VanDerWaalsContact CE2-CG2 3.48Å; F20-I24 HydrophobicContact CZ-CD1 3.77Å; F20-I24 HydrophobicContact CZ-CG1 4.34Å; F20-I24 HydrophobicContact CZ-CG2 3.81Å; F20-I24 WeakPolarHBondContact O-CG1 3.41Å; F20-I24 PolarHBondContact O-N 3.46Å; W21-I24 HydrophobicContact CD2-CD1 4.19Å; W21-I24 HydrophobicContact CE3-CD1 3.43Å; W21-I24 VanDerWaalsContact CE3-CD1 3.43Å; W21-I24 HydrophobicContact CE3-CG1 3.91Å; W21-I24 HydrophobicContact CH2-CD1 4.19Å; W21-I24 HydrophobicContact CZ3-CD1 3.44Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.44Å; W21-I24 HydrophobicContact CZ3-CG1 4.37Å; I24-E27 PolarHBondContact O-N 3.46Å; I24-H28 PolarHBondContact O-CD2 3.33Å; I24-H28 PolarHBondContact O-N 3.06Å; I24-Y50 HydrophobicContact CD1-CD2 4.44Å; I24-Y50 HydrophobicContact CD1-CG 4.19Å; I24-Y51 HydrophobicContact CD1-CE2 4.2Å
25	S	95.6	Very high	95.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-45.1	172.7	-59	0	0	0	0	110.5	W21 E27 H28 G29 I30 Y51 L84	W21-S25 WeakPolarHBondContact O-CB 3.29Å; W21-S25 PolarHBondContact O-N 3.34Å; W21-S25 PolarHBondContact O-OG 3.4Å; S25-E27 VanDerWaalsContact C-N 3.32Å; S25-E27 PolarHBondContact O-N 3.48Å; S25-H28 CarbonylContact O-C 3.47Å; S25-H28 PolarHBondContact O-N 3.14Å; S25-G29 PolarHBondContact O-N 3.47Å; S25-I30 CarbonylContact C-O 3.43Å; S25-I30 WeakPolarHBondContact CB-O 3.43Å; S25-I30 PolarHBondContact O-N 3.37Å; S25-Y51 WeakPolarHBondContact CA-OH 3.28Å; S25-Y51 PolarHBondContact N-OH 3Å; S25-Y51 PolarHBondContact OG-OH 3.48Å; S25-L84 WeakPolarHBondContact OG-CD2 3.27Å
26	D	93	Very high	95.3	Very high	70 Å²	70	25.4 Å²	25.4	37%	0.374	14%	0.141	S	C	.	.	H	α-helix	trans	-62.7	-37.7	177	-172.2	21.3	0	0	0	112.4	E22 V23 G29 R359	E22-D26 PolarHBondContact O-N 2.96Å; E22-D26 VanDerWaalsContact O-N 3.08Å; V23-D26 PolarHBondContact O-N 3.46Å; D26-G29 PolarHBondContact O-N 2.94Å; D26-R359 HydrophobicContact CB-CG 4.39Å; D26-R359 VanDerWaalsContact CG-CG 3.5Å; D26-R359 PolarHBondContact O-NE 3Å; D26-R359 WeakPolarHBondContact OD1-CD 3.45Å; D26-R359 IonicContact OD1-CZ 2.71Å; D26-R359 IonicContact OD1-NE 3.53Å; D26-R359 PolarHBondContact OD1-NE 3.03Å; D26-R359 IonicContact OD1-NH2 3.75Å; D26-R359 VanDerWaalsContact OD2-CB 3.23Å; D26-R359 WeakPolarHBondContact OD2-CB 3.33Å; D26-R359 WeakPolarHBondContact OD2-CD 3.47Å; D26-R359 WeakPolarHBondContact OD2-CG 3.44Å; D26-R359 IonicContact OD2-NE 3.6Å
27	E	92.6	Very high	95.2	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-37.8	174.1	-69.5	-179.4	-176.1	0	0	113.1	V23 I24 S25 G29 Q43 S234 R241 F242 R318	V23-E27 WeakPolarHBondContact O-CG 3.31Å; V23-E27 PolarHBondContact O-N 2.91Å; V23-E27 VanDerWaalsContact O-N 3.1Å; I24-E27 PolarHBondContact O-N 3.46Å; S25-E27 VanDerWaalsContact C-N 3.32Å; S25-E27 PolarHBondContact O-N 3.48Å; E27-G29 VanDerWaalsContact C-N 3.29Å; E27-Q43 PolarHBondContact O-NE2 3.44Å; E27-S234 PolarHBondContact OE1-OG 3.26Å; E27-S234 PolarHBondContact OE2-OG 3.11Å; E27-S234 VanDerWaalsContact OE2-OG 3.1Å; E27-R241 IonicContact OE2-CZ 2.68Å; E27-R241 VanDerWaalsContact OE2-CZ 3.26Å; E27-R241 IonicContact OE2-NH1 3.07Å; E27-R241 PolarHBondContact OE2-NH1 2.88Å; E27-R241 IonicContact OE2-NH2 3.06Å; E27-R241 PolarHBondContact OE2-NH2 3.27Å; E27-F242 HydrophobicContact CB-CE2 4.3Å; E27-F242 HydrophobicContact CB-CZ 3.95Å; E27-R318 IonicContact OE1-CZ 2.61Å; E27-R318 IonicContact OE1-NH1 2.85Å; E27-R318 PolarHBondContact OE1-NH1 2.75Å; E27-R318 IonicContact OE1-NH2 3.64Å; E27-R318 PolarHBondContact OE1-NH2 3.29Å; E27-R318 IonicContact OE2-CZ 3.69Å; E27-R318 IonicContact OE2-NH1 3.41Å; E27-R318 IonicContact OE2-NH2 3.75Å; E27-R318 PolarHBondContact OE2-NH2 3.27Å
28	H	93.4	Very high	94.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	0.9	175.6	-74.5	-70.8	0	0	0	113.5	I24 S25 I30 Y36 Q43 I47 R241 F242	I24-H28 PolarHBondContact O-CD2 3.33Å; I24-H28 PolarHBondContact O-N 3.06Å; S25-H28 CarbonylContact O-C 3.47Å; S25-H28 PolarHBondContact O-N 3.14Å; H28-I30 HydrophobicContact CB-CG1 3.9Å; H28-I30 PolarHBondContact O-N 2.91Å; H28-Y36 WeakPolarHBondContact O-CD2 3.4Å; H28-Y36 WeakPolarHBondContact O-CE2 3.46Å; H28-Q43 PolarHBondContact ND1-O 3.08Å; H28-I47 HydrophobicContact CB-CD1 4.16Å; H28-I47 HydrophobicContact CB-CG1 4.47Å; H28-R241 PolarHBondContact NE2-NH1 3.49Å; H28-F242 AromaticContact CE1-CE1 3.54Å; H28-F242 AromaticContact CE1-CZ 3.73Å; H28-F242 AromaticContact ND1-CE1 3.72Å; H28-F242 AromaticContact NE2-CZ 3.98Å
29	G	93.8	Very high	94.4	Very high	7 Å²	7	38 Å²	38	7%	0.072	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	25.7	-177.4	0	0	0	0	0	113.4	S25 D26 E27 Y36 H37	S25-G29 PolarHBondContact O-N 3.47Å; D26-G29 PolarHBondContact O-N 2.94Å; E27-G29 VanDerWaalsContact C-N 3.29Å; G29-Y36 CarbonylContact O-C 3.31Å; G29-Y36 WeakPolarHBondContact O-CA 3.35Å; G29-H37 PolarHBondContact O-N 3.47Å
30	I	95.6	Very high	93.9	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.031	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-93.2	124.9	178.8	-57.1	-52.8	0	0	0	109.4	S25 H28 Y36 I47 Y51 Y59 L84	S25-I30 CarbonylContact C-O 3.43Å; S25-I30 WeakPolarHBondContact CB-O 3.43Å; S25-I30 PolarHBondContact O-N 3.37Å; H28-I30 HydrophobicContact CB-CG1 3.9Å; H28-I30 PolarHBondContact O-N 2.91Å; I30-Y36 HydrophobicContact CD1-CD2 4.04Å; I30-Y36 HydrophobicContact CD1-CG 4.48Å; I30-I47 HydrophobicContact CD1-CD1 3.72Å; I30-I47 HydrophobicContact CG1-CD1 3.84Å; I30-Y51 HydrophobicContact CG2-CE1 4.49Å; I30-Y59 HydrophobicContact CD1-CD2 3.4Å; I30-Y59 VanDerWaalsContact CD1-CD2 3.4Å; I30-Y59 HydrophobicContact CD1-CE2 4.08Å; I30-Y59 HydrophobicContact CD1-CG 3.94Å; I30-Y59 HydrophobicContact CG1-CD2 4.5Å; I30-L84 HydrophobicContact CG2-CD1 4.27Å
31	D	95.2	Very high	93.5	Very high	39 Å²	39	44.4 Å²	44.4	21%	0.209	24%	0.244	C	C	.	.			trans	-80.7	173.2	175.2	82.9	-5.1	0	0	0	112	T33 G34 T35 H37	D31-T33 VanDerWaalsContact CG-OG1 3.3Å; D31-T33 PolarHBondContact O-N 3.49Å; D31-T33 WeakPolarHBondContact OD1-CA 3.45Å; D31-T33 WeakPolarHBondContact OD1-CB 3.29Å; D31-T33 PolarHBondContact OD1-N 3.48Å; D31-T33 PolarHBondContact OD1-OG1 3.44Å; D31-T33 PolarHBondContact OD2-OG1 3.4Å; D31-G34 PolarHBondContact O-N 3.37Å; D31-G34 PolarHBondContact OD1-N 3.01Å; D31-G34 VanDerWaalsContact OD1-N 3.16Å; D31-T35 PolarHBondContact N-O 2.87Å; D31-T35 PolarHBondContact OD1-N 3.13Å; D31-H37 IonicContact OD2-CD2 2.83Å; D31-H37 IonicContact OD2-NE2 3.72Å; D31-H37 PolarHBondContact OD2-NE2 3.03Å
32	P	95.7	Very high	93	Very high	49 Å²	49	47.7 Å²	47.7	32%	0.318	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-11.8	178.7	-24.8	35	0	0	0	116	P80 F81	P32-P80 VanDerWaalsContact CB-O 3.27Å; P32-P80 WeakPolarHBondContact CB-O 3.44Å; P32-F81 HydrophobicContact CB-CD1 4.16Å; P32-F81 HydrophobicContact CB-CE1 4.3Å; P32-F81 HydrophobicContact CB-CG 4.44Å; P32-F81 HydrophobicContact CG-CD1 4.23Å; P32-F81 HydrophobicContact CG-CE1 3.93Å; P32-F81 HydrophobicContact CG-CE2 4.18Å; P32-F81 HydrophobicContact CG-CZ 3.91Å
33	T	93.9	Very high	92.7	Very high	68 Å²	68	44.7 Å²	44.7	42%	0.417	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4	176.9	77.8	0	0	0	0	113	D31 T35	D31-T33 VanDerWaalsContact CG-OG1 3.3Å; D31-T33 PolarHBondContact O-N 3.49Å; D31-T33 WeakPolarHBondContact OD1-CA 3.45Å; D31-T33 WeakPolarHBondContact OD1-CB 3.29Å; D31-T33 PolarHBondContact OD1-N 3.48Å; D31-T33 PolarHBondContact OD1-OG1 3.44Å; D31-T33 PolarHBondContact OD2-OG1 3.4Å; T33-T35 PolarHBondContact OG1-OG1 2.77Å
34	G	95.6	Very high	92.6	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	84.8	9.9	-173.9	0	0	0	0	0	113.6	D31 K58 Y59 L84	D31-G34 PolarHBondContact O-N 3.37Å; D31-G34 PolarHBondContact OD1-N 3.01Å; D31-G34 VanDerWaalsContact OD1-N 3.16Å; G34-K58 CarbonylContact O-C 3.39Å; G34-K58 WeakPolarHBondContact O-CA 3.23Å; G34-Y59 WeakPolarHBondContact CA-O 3.2Å; G34-Y59 PolarHBondContact O-N 2.8Å; G34-L84 VanDerWaalsContact CA-CD1 3.45Å
35	T	96.2	Very high	92.3	Very high	48 Å²	48	50.5 Å²	50.5	29%	0.294	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-92.2	136.8	-176.4	-52.7	0	0	0	0	110.5	D31 T33	D31-T35 PolarHBondContact N-O 2.87Å; D31-T35 PolarHBondContact OD1-N 3.13Å; T33-T35 PolarHBondContact OG1-OG1 2.77Å
36	Y	95.2	Very high	92.1	Very high	55 Å²	55	53 Å²	53	22%	0.216	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-77.5	126.2	176.1	176.2	-105.4	0	0	0	112.1	H28 G29 I30 G38 S40 Q43 L44	H28-Y36 WeakPolarHBondContact O-CD2 3.4Å; H28-Y36 WeakPolarHBondContact O-CE2 3.46Å; G29-Y36 CarbonylContact O-C 3.31Å; G29-Y36 WeakPolarHBondContact O-CA 3.35Å; I30-Y36 HydrophobicContact CD1-CD2 4.04Å; I30-Y36 HydrophobicContact CD1-CG 4.48Å; Y36-G38 WeakPolarHBondContact OH-CA 3.21Å; Y36-G38 PolarHBondContact OH-O 3.11Å; Y36-S40 PolarHBondContact OH-N 2.84Å; Y36-S40 PolarHBondContact OH-O 3.22Å; Y36-Q43 HydrophobicContact CE2-CB 3.98Å; Y36-L44 HydrophobicContact CD1-CD1 3.96Å; Y36-L44 HydrophobicContact CD2-CD1 4.31Å; Y36-L44 HydrophobicContact CD2-CD2 3.54Å; Y36-L44 HydrophobicContact CD2-CG 3.99Å; Y36-L44 HydrophobicContact CE1-CD1 3.86Å; Y36-L44 HydrophobicContact CE1-CG 4.33Å; Y36-L44 HydrophobicContact CE2-CD1 4.22Å; Y36-L44 HydrophobicContact CE2-CD2 3.81Å; Y36-L44 HydrophobicContact CE2-CG 3.78Å; Y36-L44 HydrophobicContact CG-CD1 4.17Å; Y36-L44 HydrophobicContact CG-CD2 3.92Å; Y36-L44 HydrophobicContact CG-CG 4.34Å
37	H	93.3	Very high	92.1	Very high	132 Å²	132	50.2 Å²	50.2	61%	0.611	27%	0.269	S	S	*	.			trans	-129.4	23	175.4	-70.4	-71.9	0	0	0	112	G29 D31	G29-H37 PolarHBondContact O-N 3.47Å; D31-H37 IonicContact OD2-CD2 2.83Å; D31-H37 IonicContact OD2-NE2 3.72Å; D31-H37 PolarHBondContact OD2-NE2 3.03Å
38	G	88.3	Confident	92.2	Very high	20 Å²	20	51.1 Å²	51.1	21%	0.206	27%	0.274	C	S	.	.			trans	-74.9	169.6	179.1	0	0	0	0	0	114	Y36	Y36-G38 WeakPolarHBondContact OH-CA 3.21Å; Y36-G38 PolarHBondContact OH-O 3.11Å
39	D	88.3	Confident	92.3	Very high	144 Å²	144	51.3 Å²	51.3	77%	0.77	28%	0.275	S	S	*	.	S	Bend	trans	-117.2	3.7	-176.5	61.7	-8.1	0	0	0	112.9	Q43	D39-Q43 VanDerWaalsContact N-OE1 3.11Å
40	S	87.5	Confident	92.4	Very high	42 Å²	42	51 Å²	51	29%	0.294	27%	0.272	S	S	.	.			trans	-142.1	129.2	-177.8	-176.8	0	0	0	0	112.4	Y36 L42 Q43	Y36-S40 PolarHBondContact OH-N 2.84Å; Y36-S40 PolarHBondContact OH-O 3.22Å; S40-L42 PolarHBondContact O-N 2.83Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 2.91Å; S40-Q43 VanDerWaalsContact O-CB 3.27Å; S40-Q43 WeakPolarHBondContact O-CB 3.4Å; S40-Q43 WeakPolarHBondContact O-CG 3.35Å; S40-Q43 PolarHBondContact O-N 3.47Å
41	D	87.3	Confident	92.5	Very high	141 Å²	141	50.8 Å²	50.8	75%	0.754	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-57.8	-25.4	176.2	-61.3	-28.5	0	0	0	113.2	Q43 L44 E45	D41-Q43 PolarHBondContact O-N 2.78Å; D41-Q43 VanDerWaalsContact O-N 3.15Å; D41-L44 PolarHBondContact O-N 2.9Å; D41-E45 PolarHBondContact O-N 3.43Å
42	L	87.3	Confident	92.5	Very high	69 Å²	69	50.7 Å²	50.7	36%	0.361	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-60.3	-24.1	175.4	-58.8	173.5	0	0	0	112.3	S40 L44 F242 P243 I356	S40-L42 PolarHBondContact O-N 2.83Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 2.91Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 3.28Å; L42-F242 WeakPolarHBondContact O-CD1 3.46Å; L42-P243 HydrophobicContact CD2-CG 3.73Å; L42-I356 HydrophobicContact CB-CD1 3.88Å; L42-I356 HydrophobicContact CD1-CD1 4.48Å
43	Q	89.8	Confident	92.4	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.061	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-70.4	-23.8	176.9	-63.3	-178.4	-68.3	0	0	112.6	E27 H28 Y36 D39 S40 D41	E27-Q43 PolarHBondContact O-NE2 3.44Å; H28-Q43 PolarHBondContact ND1-O 3.08Å; Y36-Q43 HydrophobicContact CE2-CB 3.98Å; D39-Q43 VanDerWaalsContact N-OE1 3.11Å; S40-Q43 VanDerWaalsContact O-CB 3.27Å; S40-Q43 WeakPolarHBondContact O-CB 3.4Å; S40-Q43 WeakPolarHBondContact O-CG 3.35Å; S40-Q43 PolarHBondContact O-N 3.47Å; D41-Q43 PolarHBondContact O-N 2.78Å; D41-Q43 VanDerWaalsContact O-N 3.15Å
44	L	91.9	Very high	92.3	Very high	47 Å²	47	52.7 Å²	52.7	25%	0.246	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-21	-179.3	-66.1	-179.7	0	0	0	113.4	Y36 D41 L42 R46 I47 Y59	Y36-L44 HydrophobicContact CD1-CD1 3.96Å; Y36-L44 HydrophobicContact CD2-CD1 4.31Å; Y36-L44 HydrophobicContact CD2-CD2 3.54Å; Y36-L44 HydrophobicContact CD2-CG 3.99Å; Y36-L44 HydrophobicContact CE1-CD1 3.86Å; Y36-L44 HydrophobicContact CE1-CG 4.33Å; Y36-L44 HydrophobicContact CE2-CD1 4.22Å; Y36-L44 HydrophobicContact CE2-CD2 3.81Å; Y36-L44 HydrophobicContact CE2-CG 3.78Å; Y36-L44 HydrophobicContact CG-CD1 4.17Å; Y36-L44 HydrophobicContact CG-CD2 3.92Å; Y36-L44 HydrophobicContact CG-CG 4.34Å; D41-L44 PolarHBondContact O-N 2.9Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 3.28Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.87Å; L44-R46 VanDerWaalsContact O-N 3.12Å; L44-I47 HydrophobicContact CD2-CD1 3.71Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.24Å; L44-I47 PolarHBondContact O-N 3.45Å; L44-I47 VanDerWaalsContact O-N 3.16Å; L44-Y59 HydrophobicContact CD2-CE2 3.93Å
45	E	89.1	Confident	91.9	Very high	100 Å²	100	58.1 Å²	58.1	47%	0.467	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-40.2	-167.8	-169.4	179.4	146	0	0	114.8	D41 P243	D41-E45 PolarHBondContact O-N 3.43Å; E45-P243 WeakPolarHBondContact OE2-CG 3.28Å
46	R	91.6	Very high	91.5	Very high	54 Å²	54	59.8 Å²	59.8	20%	0.204	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	31.2	175.8	-44.7	179.1	178.2	176.9	-1.6	112.7	M1 L44 N48 V49 C239 L240 R241 F242	M1-R46 HydrophobicContact SD-CB 4.24Å; M1-R46 HydrophobicContact SD-CG 4.22Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.87Å; L44-R46 VanDerWaalsContact O-N 3.12Å; R46-N48 PolarHBondContact O-N 2.93Å; R46-N48 VanDerWaalsContact O-N 3.16Å; R46-V49 HydrophobicContact CB-CG2 4.07Å; R46-V49 WeakPolarHBondContact O-CB 3.48Å; R46-V49 VanDerWaalsContact O-CG2 3.26Å; R46-V49 WeakPolarHBondContact O-CG2 3.27Å; R46-V49 PolarHBondContact O-N 3.03Å; R46-C239 PolarHBondContact NH1-O 3.2Å; R46-L240 WeakPolarHBondContact CD-O 3.36Å; R46-R241 WeakPolarHBondContact CB-O 3.4Å; R46-F242 PolarHBondContact NH1-O 3.14Å
47	I	93.5	Very high	91.2	Very high	10 Å²	10	58.8 Å²	58.8	5%	0.051	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-58.1	-29.7	178.1	-166	164.6	0	0	0	112	H28 I30 L44 V49 Y50 Y51 Y59	H28-I47 HydrophobicContact CB-CD1 4.16Å; H28-I47 HydrophobicContact CB-CG1 4.47Å; I30-I47 HydrophobicContact CD1-CD1 3.72Å; I30-I47 HydrophobicContact CG1-CD1 3.84Å; L44-I47 HydrophobicContact CD2-CD1 3.71Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.24Å; L44-I47 PolarHBondContact O-N 3.45Å; L44-I47 VanDerWaalsContact O-N 3.16Å; I47-V49 PolarHBondContact O-N 3.47Å; I47-V49 VanDerWaalsContact O-N 3.1Å; I47-Y50 PolarHBondContact O-N 2.81Å; I47-Y51 HydrophobicContact CD1-CD2 4.5Å; I47-Y51 HydrophobicContact CG1-CD2 3.72Å; I47-Y51 HydrophobicContact CG1-CE2 4.48Å; I47-Y51 HydrophobicContact CG1-CG 4.06Å; I47-Y51 WeakPolarHBondContact O-CB 3.37Å; I47-Y51 WeakPolarHBondContact O-CD2 3.46Å; I47-Y51 PolarHBondContact O-N 2.9Å; I47-Y59 HydrophobicContact CD1-CD1 3.54Å; I47-Y59 HydrophobicContact CD1-CD2 4.02Å; I47-Y59 HydrophobicContact CD1-CE1 3.83Å; I47-Y59 HydrophobicContact CD1-CE2 4.25Å; I47-Y59 HydrophobicContact CD1-CG 3.63Å; I47-Y59 HydrophobicContact CG1-CD1 4.03Å; I47-Y59 HydrophobicContact CG1-CE1 4.38Å; I47-Y59 HydrophobicContact CG1-CG 4.48Å; I47-Y59 HydrophobicContact CG2-CD1 3.99Å; I47-Y59 HydrophobicContact CG2-CE1 3.6Å
48	N	94.2	Very high	91.3	Very high	27 Å²	27	57.1 Å²	57.1	14%	0.144	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-67	-14.1	-175.6	81.6	-49.7	0	0	0	113.9	M1 E3 R46 Y50 Y51 R62	M1-N48 WeakPolarHBondContact CB-ND2 3.46Å; M1-N48 WeakPolarHBondContact CB-OD1 3.44Å; M1-N48 WeakPolarHBondContact CE-OD1 2.84Å; M1-N48 PolarHBondContact SD-OD1 3.1Å; E3-N48 VanDerWaalsContact CG-O 3.26Å; E3-N48 WeakPolarHBondContact CG-O 3.3Å; E3-N48 PolarHBondContact OE1-ND2 3.48Å; R46-N48 PolarHBondContact O-N 2.93Å; R46-N48 VanDerWaalsContact O-N 3.16Å; N48-Y50 PolarHBondContact O-N 2.83Å; N48-Y51 CarbonylContact C-O 3.46Å; N48-Y51 WeakPolarHBondContact CA-O 3.28Å; N48-Y51 VanDerWaalsContact O-O 3.04Å; N48-R62 PolarHBondContact O-NE 3.01Å
49	V	94.8	Very high	91.7	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.03	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-54.7	-43	174.5	172.8	0	0	0	0	110.9	I4 R46 I47 L240 R241	I4-V49 HydrophobicContact CD1-CG1 4.02Å; I4-V49 HydrophobicContact CG1-CG1 4.27Å; I4-V49 PolarHBondContact N-O 3.31Å; R46-V49 HydrophobicContact CB-CG2 4.07Å; R46-V49 WeakPolarHBondContact O-CB 3.48Å; R46-V49 VanDerWaalsContact O-CG2 3.26Å; R46-V49 WeakPolarHBondContact O-CG2 3.27Å; R46-V49 PolarHBondContact O-N 3.03Å; I47-V49 PolarHBondContact O-N 3.47Å; I47-V49 VanDerWaalsContact O-N 3.1Å; V49-L240 HydrophobicContact CG1-CB 4.22Å; V49-L240 WeakPolarHBondContact CG2-O 3.19Å; V49-R241 HydrophobicContact CB-CG 4.5Å; V49-R241 HydrophobicContact CG1-CG 4.32Å
50	Y	96.6	Very high	92.1	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-14.7	179.7	-82.6	-73.6	0	0	0	114	I4 H6 F20 W21 I24 I47 N48 P61 R62 Q134 T237 R241	I4-Y50 HydrophobicContact CB-CD1 4.46Å; I4-Y50 HydrophobicContact CB-CE1 4Å; I4-Y50 HydrophobicContact CD1-CE2 4.2Å; I4-Y50 HydrophobicContact CG2-CE1 3.79Å; H6-Y50 HydrophobicContact CB-CD1 4.48Å; H6-Y50 HydrophobicContact CB-CE1 4.26Å; F20-Y50 HydrophobicContact CE1-CE1 4.24Å; F20-Y50 HydrophobicContact CZ-CE1 4.32Å; F20-Y50 HydrophobicContact CZ-CE2 4.47Å; W21-Y50 AromaticContact CH2-CD1 3.78Å; W21-Y50 HydrophobicContact CH2-CD1 3.78Å; W21-Y50 HydrophobicContact CH2-CG 4.17Å; W21-Y50 WeakPolarHBondContact CH2-O 3.42Å; W21-Y50 HydrophobicContact CZ2-CD1 4.35Å; I24-Y50 HydrophobicContact CD1-CD2 4.44Å; I24-Y50 HydrophobicContact CD1-CG 4.19Å; I47-Y50 PolarHBondContact O-N 2.81Å; N48-Y50 PolarHBondContact O-N 2.83Å; Y50-P61 CarbonylContact O-C 3.52Å; Y50-R62 WeakPolarHBondContact O-CB 3.29Å; Y50-R62 PolarHBondContact O-N 2.96Å; Y50-Q134 VanDerWaalsContact OH-CD 3.22Å; Y50-Q134 PolarHBondContact OH-NE2 2.77Å; Y50-Q134 VanDerWaalsContact OH-NE2 3.08Å; Y50-Q134 PolarHBondContact OH-OE1 2.91Å; Y50-T237 HydrophobicContact CE2-CG2 4.27Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.26Å; Y50-R241 VanDerWaalsContact CD2-CD 3.44Å; Y50-R241 HydrophobicContact CD2-CG 3.65Å; Y50-R241 HydrophobicContact CE2-CG 3.87Å
51	Y	97	Very high	92.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	152.6	-179.4	-63.6	-98.4	0	0	0	111.3	W21 I24 S25 I30 I47 N48 V60 P61 R62 L84	W21-Y51 HydrophobicContact CE3-CE1 4.31Å; W21-Y51 HydrophobicContact CE3-CE2 4.48Å; W21-Y51 AromaticContact CE3-CZ 3.91Å; W21-Y51 HydrophobicContact CZ3-CD2 4.49Å; W21-Y51 HydrophobicContact CZ3-CE1 4.12Å; W21-Y51 AromaticContact CZ3-CE2 3.96Å; W21-Y51 HydrophobicContact CZ3-CE2 3.96Å; W21-Y51 AromaticContact CZ3-CZ 3.75Å; I24-Y51 HydrophobicContact CD1-CE2 4.2Å; S25-Y51 WeakPolarHBondContact CA-OH 3.28Å; S25-Y51 PolarHBondContact N-OH 3Å; S25-Y51 PolarHBondContact OG-OH 3.48Å; I30-Y51 HydrophobicContact CG2-CE1 4.49Å; I47-Y51 HydrophobicContact CD1-CD2 4.5Å; I47-Y51 HydrophobicContact CG1-CD2 3.72Å; I47-Y51 HydrophobicContact CG1-CE2 4.48Å; I47-Y51 HydrophobicContact CG1-CG 4.06Å; I47-Y51 WeakPolarHBondContact O-CB 3.37Å; I47-Y51 WeakPolarHBondContact O-CD2 3.46Å; I47-Y51 PolarHBondContact O-N 2.9Å; N48-Y51 CarbonylContact C-O 3.46Å; N48-Y51 WeakPolarHBondContact CA-O 3.28Å; N48-Y51 VanDerWaalsContact O-O 3.04Å; Y51-V60 CarbonylContact C-O 3.6Å; Y51-V60 VanDerWaalsContact CA-O 3.32Å; Y51-V60 WeakPolarHBondContact CA-O 3.12Å; Y51-P61 HydrophobicContact CD1-CG 4.22Å; Y51-P61 HydrophobicContact CE1-CG 3.87Å; Y51-R62 PolarHBondContact O-NE 3.26Å; Y51-R62 PolarHBondContact O-NH2 2.95Å; Y51-L84 HydrophobicContact CE1-CD2 4.38Å
52	N	95.2	Very high	93.1	Very high	37 Å²	37	43.4 Å²	43.4	20%	0.198	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.5	164	-167.4	0.2	0	0	0	108.3	A54 V60 R86	N52-A54 PolarHBondContact O-N 3.49Å; N52-V60 PolarHBondContact N-O 3.26Å; N52-V60 PolarHBondContact O-N 3.24Å; N52-R86 PolarHBondContact ND2-NH2 2.84Å; N52-R86 VanDerWaalsContact ND2-NH2 3.15Å
53	E	93.6	Very high	93.6	Very high	127 Å²	127	40.2 Å²	40.2	59%	0.593	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.8	174	-170.1	178.4	172.6	0	0	108.9	Y59	E53-Y59 HydrophobicContact CB-CD1 4.44Å; E53-Y59 HydrophobicContact CB-CE1 4.22Å; E53-Y59 HydrophobicContact CG-CE1 4.15Å
54	A	91.3	Very high	94	Very high	32 Å²	32	39.6 Å²	39.6	26%	0.264	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	173	175.6	0	0	0	0	0	111.3	N52 G57 K58 V60	N52-A54 PolarHBondContact O-N 3.49Å; A54-G57 PolarHBondContact O-N 2.89Å; A54-K58 HydrophobicContact CB-CB 4.43Å; A54-K58 PolarHBondContact N-O 3.1Å; A54-V60 HydrophobicContact CB-CG2 3.84Å
55	S	87.4	Confident	94.3	Very high	116 Å²	116	37.3 Å²	37.3	81%	0.811	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	142.7	177.2	56.2	0	0	0	0	112.2
56	G	87.9	Confident	94.7	Very high	84 Å²	84	32.6 Å²	32.6	87%	0.866	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	15.3	-178.2	0	0	0	0	0	114.9	K58	G56-K58 VanDerWaalsContact C-N 3.33Å
57	G	89.2	Confident	95	Very high	34 Å²	34	30.1 Å²	30.1	35%	0.351	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	26.8	177.9	0	0	0	0	0	113.2	A54	A54-G57 PolarHBondContact O-N 2.89Å
58	K	94.9	Very high	95.1	Very high	97 Å²	97	29.7 Å²	29.7	42%	0.422	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.4	177.5	-69.8	-168.8	173.8	-161.8	0	110.6	G34 A54 G56	G34-K58 CarbonylContact O-C 3.39Å; G34-K58 WeakPolarHBondContact O-CA 3.23Å; A54-K58 HydrophobicContact CB-CB 4.43Å; A54-K58 PolarHBondContact N-O 3.1Å; G56-K58 VanDerWaalsContact C-N 3.33Å
59	Y	96.8	Very high	95.1	Very high	26 Å²	26	33 Å²	33	10%	0.102	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.2	175.7	-63.4	-80.8	0	0	0	110.2	I30 G34 L44 I47 E53 L84	I30-Y59 HydrophobicContact CD1-CD2 3.4Å; I30-Y59 VanDerWaalsContact CD1-CD2 3.4Å; I30-Y59 HydrophobicContact CD1-CE2 4.08Å; I30-Y59 HydrophobicContact CD1-CG 3.94Å; I30-Y59 HydrophobicContact CG1-CD2 4.5Å; G34-Y59 WeakPolarHBondContact CA-O 3.2Å; G34-Y59 PolarHBondContact O-N 2.8Å; L44-Y59 HydrophobicContact CD2-CE2 3.93Å; I47-Y59 HydrophobicContact CD1-CD1 3.54Å; I47-Y59 HydrophobicContact CD1-CD2 4.02Å; I47-Y59 HydrophobicContact CD1-CE1 3.83Å; I47-Y59 HydrophobicContact CD1-CE2 4.25Å; I47-Y59 HydrophobicContact CD1-CG 3.63Å; I47-Y59 HydrophobicContact CG1-CD1 4.03Å; I47-Y59 HydrophobicContact CG1-CE1 4.38Å; I47-Y59 HydrophobicContact CG1-CG 4.48Å; I47-Y59 HydrophobicContact CG2-CD1 3.99Å; I47-Y59 HydrophobicContact CG2-CE1 3.6Å; E53-Y59 HydrophobicContact CB-CD1 4.44Å; E53-Y59 HydrophobicContact CB-CE1 4.22Å; E53-Y59 HydrophobicContact CG-CE1 4.15Å; Y59-L84 WeakPolarHBondContact O-CD1 3.39Å
60	V	97.2	Very high	95	Very high	23 Å²	23	34.7 Å²	34.7	14%	0.139	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.1	-175.5	-177.5	0	0	0	0	109.6	Y51 N52 A54 R86	Y51-V60 CarbonylContact C-O 3.6Å; Y51-V60 VanDerWaalsContact CA-O 3.32Å; Y51-V60 WeakPolarHBondContact CA-O 3.12Å; N52-V60 PolarHBondContact N-O 3.26Å; N52-V60 PolarHBondContact O-N 3.24Å; A54-V60 HydrophobicContact CB-CG2 3.84Å; V60-R86 HydrophobicContact CG1-CG 3.49Å; V60-R86 VanDerWaalsContact CG1-CG 3.49Å
61	P	97.7	Very high	94.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.013	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	136	176.5	-32.7	39.6	0	0	0	114	W21 Y50 Y51 A63 L84 F85	W21-P61 HydrophobicContact CD2-CB 3.99Å; W21-P61 HydrophobicContact CD2-CG 4.14Å; W21-P61 HydrophobicContact CE3-CB 3.73Å; W21-P61 HydrophobicContact CE3-CG 3.71Å; W21-P61 HydrophobicContact CH2-CB 3.54Å; W21-P61 HydrophobicContact CH2-CG 4.39Å; W21-P61 HydrophobicContact CZ2-CB 3.79Å; W21-P61 HydrophobicContact CZ3-CB 3.5Å; W21-P61 VanDerWaalsContact CZ3-CB 3.5Å; W21-P61 HydrophobicContact CZ3-CG 3.85Å; Y50-P61 CarbonylContact O-C 3.52Å; Y51-P61 HydrophobicContact CD1-CG 4.22Å; Y51-P61 HydrophobicContact CE1-CG 3.87Å; P61-A63 HydrophobicContact CB-CB 3.83Å; P61-A63 PolarHBondContact O-N 2.87Å; P61-L84 VanDerWaalsContact CD-O 3.28Å; P61-L84 WeakPolarHBondContact CD-O 3.44Å; P61-L84 HydrophobicContact CG-CD1 4.49Å; P61-L84 HydrophobicContact CG-CD2 3.66Å; P61-L84 HydrophobicContact CG-CG 3.62Å; P61-F85 HydrophobicContact CB-CD1 3.94Å; P61-F85 HydrophobicContact CB-CE1 4.02Å; P61-F85 HydrophobicContact CG-CD1 4.04Å; P61-F85 HydrophobicContact CG-CE1 4.04Å
62	R	97.6	Very high	94.6	Very high	8 Å²	8	37.3 Å²	37.3	3%	0.03	24%	0.24	C	C	.	.			trans	-77.9	59	162.8	-61.7	179.5	-170.6	-80	-0.3	109.4	H6 N48 Y50 Y51 S126	H6-R62 PolarHBondContact N-O 3.37Å; N48-R62 PolarHBondContact O-NE 3.01Å; Y50-R62 WeakPolarHBondContact O-CB 3.29Å; Y50-R62 PolarHBondContact O-N 2.96Å; Y51-R62 PolarHBondContact O-NE 3.26Å; Y51-R62 PolarHBondContact O-NH2 2.95Å; R62-S126 PolarHBondContact NH1-O 3.11Å; R62-S126 PolarHBondContact NH1-OG 2.84Å; R62-S126 VanDerWaalsContact NH1-OG 3.1Å
63	A	98	Very high	94.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.8	-174.5	0	0	0	0	0	110.8	H6 W21 P61 L65 F85 N89	H6-A63 CarbonylContact O-C 3.55Å; H6-A63 VanDerWaalsContact O-CA 3.28Å; H6-A63 WeakPolarHBondContact O-CA 3.4Å; W21-A63 HydrophobicContact CZ2-CB 3.55Å; P61-A63 HydrophobicContact CB-CB 3.83Å; P61-A63 PolarHBondContact O-N 2.87Å; A63-L65 HydrophobicContact CB-CD1 4.16Å; A63-F85 HydrophobicContact CB-CD1 3.77Å; A63-F85 HydrophobicContact CB-CE1 3.8Å; A63-N89 WeakPolarHBondContact O-CB 3.38Å; A63-N89 PolarHBondContact O-ND2 2.99Å
64	I	98.5	Very high	94.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.1	172.9	-53.4	173.8	0	0	0	107.2	V5 H6 I7 Q8 V66 V116 V119 V120 E123	V5-I64 HydrophobicContact CG1-CD1 3.75Å; V5-I64 HydrophobicContact CG1-CG1 4.3Å; H6-I64 PolarHBondContact O-N 3.36Å; I7-I64 WeakPolarHBondContact CA-O 3.37Å; I7-I64 HydrophobicContact CG1-CB 4.43Å; I7-I64 HydrophobicContact CG1-CD1 4.42Å; Q8-I64 PolarHBondContact N-O 3.02Å; I64-V66 HydrophobicContact CG2-CG2 3.91Å; I64-V116 HydrophobicContact CG2-CG1 4.28Å; I64-V119 HydrophobicContact CD1-CG1 3.96Å; I64-V119 HydrophobicContact CG1-CG1 3.88Å; I64-V119 HydrophobicContact CG2-CB 4.44Å; I64-V119 HydrophobicContact CG2-CG1 4.01Å; I64-V120 VanDerWaalsContact CD1-CA 3.45Å; I64-V120 HydrophobicContact CD1-CB 4.06Å; I64-V120 HydrophobicContact CD1-CG2 3.53Å; I64-E123 HydrophobicContact CD1-CB 4.36Å; I64-E123 HydrophobicContact CD1-CG 4.23Å; I64-E123 HydrophobicContact CG1-CG 4.23Å
65	L	98.4	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118	-174.8	-64.2	92.1	0	0	0	108.2	Q8 N14 A63 M73 V76 F85 N89 F90 V91	Q8-L65 VanDerWaalsContact OE1-CD2 3.27Å; N14-L65 WeakPolarHBondContact OD1-CB 3.47Å; A63-L65 HydrophobicContact CB-CD1 4.16Å; L65-M73 HydrophobicContact CB-CE 4.37Å; L65-M73 HydrophobicContact CB-SD 4.05Å; L65-V76 HydrophobicContact CD2-CB 4.46Å; L65-V76 HydrophobicContact CD2-CG1 3.71Å; L65-F85 HydrophobicContact CD1-CB 4.27Å; L65-F85 HydrophobicContact CD1-CD1 3.84Å; L65-F85 HydrophobicContact CD1-CE1 4.37Å; L65-F85 HydrophobicContact CD1-CG 4Å; L65-N89 PolarHBondContact N-O 2.81Å; L65-F90 HydrophobicContact CB-CD1 4.08Å; L65-F90 HydrophobicContact CB-CE1 4.38Å; L65-F90 HydrophobicContact CD1-CE1 4.44Å; L65-F90 HydrophobicContact CD1-CZ 4.39Å; L65-F90 HydrophobicContact CD2-CD1 4.33Å; L65-F90 HydrophobicContact CD2-CE1 3.79Å; L65-F90 HydrophobicContact CD2-CZ 4.24Å; L65-F90 HydrophobicContact CG-CE1 4.44Å; L65-V91 PolarHBondContact O-N 2.96Å
66	V	98	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128	-171.2	-172	0	0	0	0	109.7	I7 Q8 G10 N14 I64 V91 V116 M147 L151	I7-V66 HydrophobicContact CG2-CG2 4.43Å; Q8-V66 PolarHBondContact O-N 3.47Å; G10-V66 PolarHBondContact N-O 2.89Å; N14-V66 PolarHBondContact ND2-O 3.35Å; I64-V66 HydrophobicContact CG2-CG2 3.91Å; V66-V91 WeakPolarHBondContact CA-O 3.25Å; V66-V116 HydrophobicContact CG1-CG2 3.76Å; V66-V116 HydrophobicContact CG2-CG1 3.66Å; V66-V116 HydrophobicContact CG2-CG2 3.95Å; V66-M147 HydrophobicContact CG1-CE 3.39Å; V66-M147 HydrophobicContact CG1-SD 3.62Å; V66-L151 HydrophobicContact CG1-CD1 4.39Å
67	D	97.3	Very high	95.3	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	154	166.8	-152.3	-21	0	0	0	111	Q11 E69 T72 M73 V91 F92 G93 T143	Q11-D67 PolarHBondContact N-OD2 3.31Å; D67-E69 PolarHBondContact O-N 2.77Å; D67-T72 WeakPolarHBondContact OD2-CB 3.26Å; D67-T72 PolarHBondContact OD2-OG1 3.34Å; D67-M73 HydrophobicContact CB-CE 3.73Å; D67-V91 PolarHBondContact N-O 3.34Å; D67-F92 CarbonylContact O-C 3.58Å; D67-F92 WeakPolarHBondContact O-CA 3.49Å; D67-F92 VanDerWaalsContact O-CB 3.26Å; D67-F92 WeakPolarHBondContact O-CB 3.32Å; D67-G93 PolarHBondContact O-N 2.83Å; D67-T143 PolarHBondContact OD1-OG1 2.87Å
68	L	96.5	Very high	95.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.201	C	C	.	.	S	Bend	trans	-82.1	-8.6	176.6	-68	171.7	0	0	0	112.2	G93 Q94 S95 A97 E108 L112 T143 M147	L68-G93 CarbonylContact O-C 3.13Å; L68-G93 WeakPolarHBondContact O-CA 3.38Å; L68-Q94 PolarHBondContact O-N 2.77Å; L68-S95 WeakPolarHBondContact CB-O 3.47Å; L68-S95 CarbonylContact O-C 3.29Å; L68-S95 VanDerWaalsContact O-C 3.29Å; L68-S95 PolarHBondContact O-N 2.83Å; L68-S95 VanDerWaalsContact O-O 3.09Å; L68-A97 HydrophobicContact CD1-CB 3.72Å; L68-E108 HydrophobicContact CD1-CB 3.99Å; L68-E108 HydrophobicContact CD2-CB 3.96Å; L68-E108 HydrophobicContact CG-CB 4.48Å; L68-L112 HydrophobicContact CD2-CB 4.31Å; L68-L112 HydrophobicContact CD2-CD2 3.86Å; L68-T143 HydrophobicContact CB-CG2 4.35Å; L68-T143 HydrophobicContact CD1-CG2 4.05Å; L68-T143 HydrophobicContact CG-CG2 3.83Å; L68-M147 HydrophobicContact CD1-SD 4.5Å; L68-M147 HydrophobicContact CD2-SD 3.69Å; L68-M147 HydrophobicContact CG-SD 3.95Å
69	E	93	Very high	95.5	Very high	96 Å²	96	31.1 Å²	31.1	45%	0.449	19%	0.193	S	C	.	.	S	Bend	trans	-125.3	146.4	177.6	-62.2	-175.8	136.6	0	0	112.1	D67 G71 G96	D67-E69 PolarHBondContact O-N 2.77Å; E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 3.19Å; E69-G96 WeakPolarHBondContact OE1-CA 3.27Å; E69-G96 PolarHBondContact OE1-N 2.61Å
70	P	93.6	Very high	95.3	Very high	41 Å²	41	35.2 Å²	35.2	27%	0.266	22%	0.223	S	C	.	.	H	α-helix	trans	-71.1	-24.9	-179.7	27.3	-34.6	0	0	0	113.7	T72 M73 D74 F92	P70-T72 VanDerWaalsContact C-N 3.35Å; P70-T72 PolarHBondContact O-N 3.37Å; P70-M73 WeakPolarHBondContact O-CB 3.38Å; P70-M73 PolarHBondContact O-N 3.28Å; P70-D74 PolarHBondContact O-N 3.01Å; P70-F92 HydrophobicContact CB-CD2 3.93Å; P70-F92 HydrophobicContact CB-CE2 4.01Å
71	G	92.6	Very high	95.1	Very high	42 Å²	42	35.9 Å²	35.9	43%	0.433	22%	0.224	S	C	.	.	H	α-helix	trans	-60	-38.9	-169.2	0	0	0	0	0	114.4	E69 S75	E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 3.19Å; G71-S75 PolarHBondContact O-N 2.89Å; G71-S75 VanDerWaalsContact O-N 3.15Å; G71-S75 PolarHBondContact O-OG 3.22Å
72	T	91.6	Very high	94.9	Very high	13 Å²	13	36 Å²	36	8%	0.08	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-42.6	174.6	-55.6	0	0	0	0	111.2	N14 D67 P70 S75 V76	N14-T72 HydrophobicContact CB-CG2 3.51Å; D67-T72 WeakPolarHBondContact OD2-CB 3.26Å; D67-T72 PolarHBondContact OD2-OG1 3.34Å; P70-T72 VanDerWaalsContact C-N 3.35Å; P70-T72 PolarHBondContact O-N 3.37Å; T72-S75 WeakPolarHBondContact O-CB 3.25Å; T72-S75 PolarHBondContact O-N 2.85Å; T72-V76 WeakPolarHBondContact O-CG2 3.25Å; T72-V76 PolarHBondContact O-N 3.28Å
73	M	93.8	Very high	94.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-43.5	-179	-59.1	-63.4	94	0	0	111.5	N14 L65 D67 P70 S75 V76 R77 F90 F92	N14-M73 HydrophobicContact CB-CE 4.24Å; N14-M73 VanDerWaalsContact CG-CE 3.42Å; N14-M73 WeakPolarHBondContact ND2-CE 3.38Å; N14-M73 WeakPolarHBondContact OD1-CE 3.14Å; L65-M73 HydrophobicContact CB-CE 4.37Å; L65-M73 HydrophobicContact CB-SD 4.05Å; D67-M73 HydrophobicContact CB-CE 3.73Å; P70-M73 WeakPolarHBondContact O-CB 3.38Å; P70-M73 PolarHBondContact O-N 3.28Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 2.92Å; M73-V76 PolarHBondContact O-N 3.29Å; M73-R77 WeakPolarHBondContact O-CB 3.4Å; M73-R77 WeakPolarHBondContact O-CG 3.46Å; M73-R77 PolarHBondContact O-N 2.93Å; M73-F90 HydrophobicContact CB-CD1 4.28Å; M73-F90 HydrophobicContact SD-CD1 3.77Å; M73-F92 HydrophobicContact CB-CD1 4.23Å; M73-F92 HydrophobicContact CG-CB 3.73Å; M73-F92 HydrophobicContact CG-CD1 3.72Å; M73-F92 HydrophobicContact CG-CG 3.81Å
74	D	93.9	Very high	94.6	Very high	87 Å²	87	44.1 Å²	44.1	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-39.2	176.1	-70.2	-24.9	0	0	0	111.4	P70 R77 A78	P70-D74 PolarHBondContact O-N 3.01Å; D74-R77 PolarHBondContact O-N 3.29Å; D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.44Å; D74-A78 PolarHBondContact O-N 3.47Å
75	S	93.9	Very high	94.5	Very high	85 Å²	85	44.6 Å²	44.6	59%	0.594	27%	0.267	S	S	*	.	H	α-helix	trans	-63.7	-42.2	176	-59.1	0	0	0	0	112.2	G71 T72 M73 G79	G71-S75 PolarHBondContact O-N 2.89Å; G71-S75 VanDerWaalsContact O-N 3.15Å; G71-S75 PolarHBondContact O-OG 3.22Å; T72-S75 WeakPolarHBondContact O-CB 3.25Å; T72-S75 PolarHBondContact O-N 2.85Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 2.92Å; S75-G79 PolarHBondContact O-N 3.15Å; S75-G79 VanDerWaalsContact O-N 3.13Å
76	V	94.6	Very high	94.3	Very high	15 Å²	15	48.5 Å²	48.5	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-44.2	176.3	175.3	0	0	0	0	111	N14 A18 L65 T72 M73 A78 G79 G82 F85 F90	N14-V76 HydrophobicContact CB-CG2 4.27Å; A18-V76 HydrophobicContact CB-CG2 4.49Å; L65-V76 HydrophobicContact CD2-CB 4.46Å; L65-V76 HydrophobicContact CD2-CG1 3.71Å; T72-V76 WeakPolarHBondContact O-CG2 3.25Å; T72-V76 PolarHBondContact O-N 3.28Å; M73-V76 PolarHBondContact O-N 3.29Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.01Å; V76-G79 WeakPolarHBondContact O-CA 3.13Å; V76-G79 PolarHBondContact O-N 3.13Å; V76-G82 WeakPolarHBondContact O-CA 3.23Å; V76-F85 HydrophobicContact CG1-CD2 4.32Å; V76-F85 HydrophobicContact CG1-CE2 4.08Å; V76-F90 HydrophobicContact CB-CE1 4.43Å; V76-F90 HydrophobicContact CG1-CE1 4.16Å; V76-F90 HydrophobicContact CG1-CZ 4.48Å
77	R	94.4	Very high	94.2	Very high	95 Å²	95	53.1 Å²	53.1	36%	0.358	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-37.4	177.9	-75.4	175.7	177.9	166.9	-4	113	M73 D74 F90	M73-R77 WeakPolarHBondContact O-CB 3.4Å; M73-R77 WeakPolarHBondContact O-CG 3.46Å; M73-R77 PolarHBondContact O-N 2.93Å; D74-R77 PolarHBondContact O-N 3.29Å; R77-F90 HydrophobicContact CG-CD1 4.29Å; R77-F90 HydrophobicContact CG-CE1 3.71Å; R77-F90 HydrophobicContact CG-CE2 4.44Å; R77-F90 HydrophobicContact CG-CZ 3.8Å
78	A	94.3	Very high	94.1	Very high	91 Å²	91	59.4 Å²	59.4	75%	0.752	35%	0.345	S	S	*	.	H	α-helix	trans	-75.8	-14.3	174.9	0	0	0	0	0	113	D74 V76	D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.44Å; D74-A78 PolarHBondContact O-N 3.47Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.01Å
79	G	93	Very high	94.1	Very high	25 Å²	25	59.7 Å²	59.7	26%	0.258	35%	0.346	S	S	.	.	S	Bend	trans	-68.7	163.2	177.5	0	0	0	0	0	112.8	S75 V76 F81 G82	S75-G79 PolarHBondContact O-N 3.15Å; S75-G79 VanDerWaalsContact O-N 3.13Å; V76-G79 WeakPolarHBondContact O-CA 3.13Å; V76-G79 PolarHBondContact O-N 3.13Å; G79-F81 PolarHBondContact O-N 3.12Å; G79-F81 VanDerWaalsContact O-N 3.14Å; G79-G82 PolarHBondContact O-N 3.48Å
80	P	92.8	Very high	94.3	Very high	112 Å²	112	55.9 Å²	55.9	73%	0.727	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.6	-175.2	-25.8	34.1	0	0	0	113.9	P32	P32-P80 VanDerWaalsContact CB-O 3.27Å; P32-P80 WeakPolarHBondContact CB-O 3.44Å
81	F	94.6	Very high	94.5	Very high	36 Å²	36	54.6 Å²	54.6	16%	0.158	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	10.3	180	-73.1	-95.9	0	0	0	113.4	E22 P32 G79 Q83 L84	E22-F81 HydrophobicContact CB-CD2 4.06Å; E22-F81 HydrophobicContact CB-CE2 3.96Å; E22-F81 HydrophobicContact CB-CZ 4.49Å; E22-F81 HydrophobicContact CG-CD2 4.17Å; E22-F81 HydrophobicContact CG-CE2 3.63Å; E22-F81 HydrophobicContact CG-CZ 4.21Å; P32-F81 HydrophobicContact CB-CD1 4.16Å; P32-F81 HydrophobicContact CB-CE1 4.3Å; P32-F81 HydrophobicContact CB-CG 4.44Å; P32-F81 HydrophobicContact CG-CD1 4.23Å; P32-F81 HydrophobicContact CG-CE1 3.93Å; P32-F81 HydrophobicContact CG-CE2 4.18Å; P32-F81 HydrophobicContact CG-CZ 3.91Å; G79-F81 PolarHBondContact O-N 3.12Å; G79-F81 VanDerWaalsContact O-N 3.14Å; F81-Q83 PolarHBondContact O-N 3.44Å; F81-L84 HydrophobicContact CD1-CD2 3.87Å; F81-L84 WeakPolarHBondContact O-CB 3.47Å; F81-L84 PolarHBondContact O-N 3.02Å
82	G	92.5	Very high	94.7	Very high	6 Å²	6	55.6 Å²	55.6	6%	0.062	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-60.3	-30.9	-174.8	0	0	0	0	0	114.2	V76 G79 L84	V76-G82 WeakPolarHBondContact O-CA 3.23Å; G79-G82 PolarHBondContact O-N 3.48Å; G82-L84 VanDerWaalsContact C-N 3.32Å
83	Q	92.9	Very high	94.8	Very high	173 Å²	173	55.6 Å²	55.6	81%	0.808	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-82	-7.6	178.4	-62.5	-174.6	3.9	0	0	114.1	F81 F85	F81-Q83 PolarHBondContact O-N 3.44Å; Q83-F85 VanDerWaalsContact C-N 3.34Å
84	L	95.6	Very high	94.7	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-72	-32.9	178.4	-176.2	64.3	0	0	0	111	S25 I30 G34 Y51 Y59 P61 F81 G82	S25-L84 WeakPolarHBondContact OG-CD2 3.27Å; I30-L84 HydrophobicContact CG2-CD1 4.27Å; G34-L84 VanDerWaalsContact CA-CD1 3.45Å; Y51-L84 HydrophobicContact CE1-CD2 4.38Å; Y59-L84 WeakPolarHBondContact O-CD1 3.39Å; P61-L84 VanDerWaalsContact CD-O 3.28Å; P61-L84 WeakPolarHBondContact CD-O 3.44Å; P61-L84 HydrophobicContact CG-CD1 4.49Å; P61-L84 HydrophobicContact CG-CD2 3.66Å; P61-L84 HydrophobicContact CG-CG 3.62Å; F81-L84 HydrophobicContact CD1-CD2 3.87Å; F81-L84 WeakPolarHBondContact O-CB 3.47Å; F81-L84 PolarHBondContact O-N 3.02Å; G82-L84 VanDerWaalsContact C-N 3.32Å
85	F	96.4	Very high	94.4	Very high	10 Å²	10	61.2 Å²	61.2	4%	0.044	34%	0.344	C	S	.	.	S	Bend	trans	-78.8	148.5	-177.4	-58.2	-70.3	0	0	0	112.7	W21 P61 A63 L65 V76 Q83 F90	W21-F85 HydrophobicContact CB-CE1 4.25Å; W21-F85 HydrophobicContact CB-CZ 3.82Å; W21-F85 AromaticContact CD1-CE1 3.34Å; W21-F85 AromaticContact CD1-CZ 3.4Å; W21-F85 VanDerWaalsContact CD1-CZ 3.4Å; W21-F85 HydrophobicContact CD2-CE1 4.03Å; W21-F85 HydrophobicContact CD2-CZ 4.49Å; W21-F85 AromaticContact CG-CE1 3.63Å; W21-F85 HydrophobicContact CG-CE1 3.63Å; W21-F85 AromaticContact CG-CZ 3.65Å; W21-F85 HydrophobicContact CG-CZ 3.65Å; W21-F85 AromaticContact NE1-CE1 3.59Å; P61-F85 HydrophobicContact CB-CD1 3.94Å; P61-F85 HydrophobicContact CB-CE1 4.02Å; P61-F85 HydrophobicContact CG-CD1 4.04Å; P61-F85 HydrophobicContact CG-CE1 4.04Å; A63-F85 HydrophobicContact CB-CD1 3.77Å; A63-F85 HydrophobicContact CB-CE1 3.8Å; L65-F85 HydrophobicContact CD1-CB 4.27Å; L65-F85 HydrophobicContact CD1-CD1 3.84Å; L65-F85 HydrophobicContact CD1-CE1 4.37Å; L65-F85 HydrophobicContact CD1-CG 4Å; V76-F85 HydrophobicContact CG1-CD2 4.32Å; V76-F85 HydrophobicContact CG1-CE2 4.08Å; Q83-F85 VanDerWaalsContact C-N 3.34Å; F85-F90 HydrophobicContact CB-CE2 3.54Å; F85-F90 HydrophobicContact CB-CZ 3.76Å; F85-F90 HydrophobicContact CD2-CZ 4.11Å; F85-F90 HydrophobicContact CG-CE2 4.45Å; F85-F90 HydrophobicContact CG-CZ 4.22Å
86	R	95.3	Very high	94.2	Very high	82 Å²	82	57.7 Å²	57.7	31%	0.309	32%	0.321	S	S	.	.			trans	-64.9	129.7	170.9	-70.1	-172.9	174.6	173.6	-5.5	110	N52 V60 D88 N89 F90 E123	N52-R86 PolarHBondContact ND2-NH2 2.84Å; N52-R86 VanDerWaalsContact ND2-NH2 3.15Å; V60-R86 HydrophobicContact CG1-CG 3.49Å; V60-R86 VanDerWaalsContact CG1-CG 3.49Å; R86-D88 PolarHBondContact O-N 3.03Å; R86-N89 HydrophobicContact CB-CB 4.15Å; R86-N89 PolarHBondContact O-N 2.85Å; R86-F90 WeakPolarHBondContact O-CD2 3.47Å; R86-E123 IonicContact CZ-OE1 2.7Å; R86-E123 IonicContact NH1-OE1 3.38Å; R86-E123 PolarHBondContact NH1-OE1 3.43Å
87	P	94.9	Very high	93.9	Very high	97 Å²	97	57 Å²	57	63%	0.63	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-55.4	-37.3	176.6	-28.5	36.2	0	0	0	113.6	N89 F90	P87-N89 PolarHBondContact O-N 3.06Å; P87-F90 PolarHBondContact O-N 2.88Å
88	D	95.6	Very high	93.7	Very high	135 Å²	135	55.7 Å²	55.7	72%	0.722	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-71.1	-14	-179.4	-62.9	-15.3	0	0	0	113.4	R86 F90	R86-D88 PolarHBondContact O-N 3.03Å; D88-F90 VanDerWaalsContact C-N 3.33Å
89	N	97.4	Very high	93.6	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-91.6	1.2	179.4	-65.1	27.4	0	0	0	112.7	A63 L65 R86 P87 V119 E123	A63-N89 WeakPolarHBondContact O-CB 3.38Å; A63-N89 PolarHBondContact O-ND2 2.99Å; L65-N89 PolarHBondContact N-O 2.81Å; R86-N89 HydrophobicContact CB-CB 4.15Å; R86-N89 PolarHBondContact O-N 2.85Å; P87-N89 PolarHBondContact O-N 3.06Å; N89-V119 HydrophobicContact CB-CG1 4.19Å; N89-E123 VanDerWaalsContact ND2-CD 3.31Å; N89-E123 PolarHBondContact ND2-OE1 3.42Å
90	F	97.6	Very high	93.7	Very high	15 Å²	15	54.1 Å²	54.1	7%	0.066	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	109.2	167.1	-68.1	-100.1	0	0	0	108.6	L65 M73 V76 R77 F85 R86 P87 D88 F92	L65-F90 HydrophobicContact CB-CD1 4.08Å; L65-F90 HydrophobicContact CB-CE1 4.38Å; L65-F90 HydrophobicContact CD1-CE1 4.44Å; L65-F90 HydrophobicContact CD1-CZ 4.39Å; L65-F90 HydrophobicContact CD2-CD1 4.33Å; L65-F90 HydrophobicContact CD2-CE1 3.79Å; L65-F90 HydrophobicContact CD2-CZ 4.24Å; L65-F90 HydrophobicContact CG-CE1 4.44Å; M73-F90 HydrophobicContact CB-CD1 4.28Å; M73-F90 HydrophobicContact SD-CD1 3.77Å; V76-F90 HydrophobicContact CB-CE1 4.43Å; V76-F90 HydrophobicContact CG1-CE1 4.16Å; V76-F90 HydrophobicContact CG1-CZ 4.48Å; R77-F90 HydrophobicContact CG-CD1 4.29Å; R77-F90 HydrophobicContact CG-CE1 3.71Å; R77-F90 HydrophobicContact CG-CE2 4.44Å; R77-F90 HydrophobicContact CG-CZ 3.8Å; F85-F90 HydrophobicContact CB-CE2 3.54Å; F85-F90 HydrophobicContact CB-CZ 3.76Å; F85-F90 HydrophobicContact CD2-CZ 4.11Å; F85-F90 HydrophobicContact CG-CE2 4.45Å; F85-F90 HydrophobicContact CG-CZ 4.22Å; R86-F90 WeakPolarHBondContact O-CD2 3.47Å; P87-F90 PolarHBondContact O-N 2.88Å; D88-F90 VanDerWaalsContact C-N 3.33Å; F90-F92 HydrophobicContact CB-CD1 4.44Å
91	V	97.7	Very high	93.9	Very high	15 Å²	15	48.9 Å²	48.9	9%	0.091	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.1	178.3	-175.2	0	0	0	0	108.1	L65 V66 D67 L112 V116 V119	L65-V91 PolarHBondContact O-N 2.96Å; V66-V91 WeakPolarHBondContact CA-O 3.25Å; D67-V91 PolarHBondContact N-O 3.34Å; V91-L112 HydrophobicContact CG1-CD1 3.74Å; V91-L112 HydrophobicContact CG1-CD2 4.37Å; V91-L112 HydrophobicContact CG1-CG 4.01Å; V91-V116 HydrophobicContact CB-CG2 3.97Å; V91-V116 HydrophobicContact CG1-CG2 3.57Å; V91-V119 HydrophobicContact CG2-CB 4.44Å; V91-V119 HydrophobicContact CG2-CG2 3.72Å
92	F	96.5	Very high	94.1	Very high	63 Å²	63	47.2 Å²	47.2	28%	0.276	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	148.5	-177.2	59	-85.3	0	0	0	115.2	D67 P70 M73 F90	D67-F92 CarbonylContact O-C 3.58Å; D67-F92 WeakPolarHBondContact O-CA 3.49Å; D67-F92 VanDerWaalsContact O-CB 3.26Å; D67-F92 WeakPolarHBondContact O-CB 3.32Å; P70-F92 HydrophobicContact CB-CD2 3.93Å; P70-F92 HydrophobicContact CB-CE2 4.01Å; M73-F92 HydrophobicContact CB-CD1 4.23Å; M73-F92 HydrophobicContact CG-CB 3.73Å; M73-F92 HydrophobicContact CG-CD1 3.72Å; M73-F92 HydrophobicContact CG-CG 3.81Å; F90-F92 HydrophobicContact CB-CD1 4.44Å
93	G	93.6	Very high	94.3	Very high	13 Å²	13	48.9 Å²	48.9	13%	0.134	27%	0.27	C	S	.	.			trans	-83.2	-177	176	0	0	0	0	0	113.2	D67 L68	D67-G93 PolarHBondContact O-N 2.83Å; L68-G93 CarbonylContact O-C 3.13Å; L68-G93 WeakPolarHBondContact O-CA 3.38Å
94	Q	91.2	Very high	94.5	Very high	151 Å²	151	40.6 Å²	40.6	71%	0.706	23%	0.231	S	C	*	.	S	Bend	trans	-106.3	-13.9	174.1	-62.7	-60.4	-46.2	0	0	112.9	L68	L68-Q94 PolarHBondContact O-N 2.77Å
95	S	88	Confident	94.6	Very high	54 Å²	54	41.3 Å²	41.3	38%	0.378	23%	0.234	S	C	.	.	S	Bend	trans	-136	123.9	-170.5	-66	0	0	0	0	109.8	L68 E108	L68-S95 WeakPolarHBondContact CB-O 3.47Å; L68-S95 CarbonylContact O-C 3.29Å; L68-S95 VanDerWaalsContact O-C 3.29Å; L68-S95 PolarHBondContact O-N 2.83Å; L68-S95 VanDerWaalsContact O-O 3.09Å; S95-E108 VanDerWaalsContact CB-CD 3.46Å; S95-E108 WeakPolarHBondContact CB-OE1 3.43Å; S95-E108 WeakPolarHBondContact CB-OE2 3.48Å
96	G	88.4	Confident	94.7	Very high	10 Å²	10	45 Å²	45	10%	0.103	25%	0.248	C	C	.	.			trans	-71.6	162.4	-179.8	0	0	0	0	0	114.5	E69 G98 K103	E69-G96 WeakPolarHBondContact OE1-CA 3.27Å; E69-G96 PolarHBondContact OE1-N 2.61Å; G96-G98 PolarHBondContact O-N 2.63Å; G96-K103 PolarHBondContact O-NZ 3.1Å
97	A	89.3	Confident	94.7	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	24%	0.244	C	C	.	.			trans	-72.9	-8.4	172.8	0	0	0	0	0	113.9	L68 N99 N100 K103	L68-A97 HydrophobicContact CD1-CB 3.72Å; A97-N99 VanDerWaalsContact C-N 3.26Å; A97-N99 PolarHBondContact O-N 2.85Å; A97-N100 WeakPolarHBondContact O-CB 3.31Å; A97-N100 PolarHBondContact O-N 3.29Å; A97-K103 HydrophobicContact CB-CB 4.48Å
98	G	89.8	Confident	94.7	Very high	66 Å²	66	40 Å²	40	68%	0.68	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	36.9	177.5	0	0	0	0	0	114.1	G96 N100	G96-G98 PolarHBondContact O-N 2.63Å; G98-N100 PolarHBondContact O-N 3.17Å
99	N	91.9	Very high	94.8	Very high	74 Å²	74	33.6 Å²	33.6	40%	0.396	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	21.5	-173.3	-64.3	-33.6	0	0	0	115.7	A97 T178 V180 N184	A97-N99 VanDerWaalsContact C-N 3.26Å; A97-N99 PolarHBondContact O-N 2.85Å; N99-T178 HydrophobicContact CB-CG2 3.62Å; N99-T178 PolarHBondContact ND2-OG1 3.08Å; N99-V180 WeakPolarHBondContact O-CG2 3.23Å; N99-N184 PolarHBondContact O-ND2 2.93Å
100	N	95.9	Very high	94.7	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.048	20%	0.203	C	C	.	.			trans	-108.4	118.9	179.1	-176.2	-16.1	0	0	0	110.8	A97 G98 A102 K103 G104 W397 Y398	A97-N100 WeakPolarHBondContact O-CB 3.31Å; A97-N100 PolarHBondContact O-N 3.29Å; G98-N100 PolarHBondContact O-N 3.17Å; N100-A102 VanDerWaalsContact C-N 3.35Å; N100-A102 PolarHBondContact O-N 2.91Å; N100-A102 WeakPolarHBondContact OD1-CB 3.47Å; N100-A102 PolarHBondContact OD1-N 3.5Å; N100-K103 HydrophobicContact CB-CB 3.91Å; N100-K103 PolarHBondContact O-N 2.74Å; N100-K103 PolarHBondContact OD1-N 3.46Å; N100-G104 PolarHBondContact O-N 3.01Å; N100-G104 VanDerWaalsContact O-N 3.11Å; N100-W397 PolarHBondContact ND2-O 3.35Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.46Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.5Å
101	W	97.6	Very high	94.6	Very high	3 Å²	3	42 Å²	42	1%	0.011	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-43	176.9	-179.7	105.6	0	0	0	112	K103 G104 H105 Y106 S145 G146 T149 N184 L187 Q191 Y398 M403	W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 2.87Å; W101-G104 CarbonylContact O-C 3.56Å; W101-G104 WeakPolarHBondContact O-CA 3.41Å; W101-G104 PolarHBondContact O-N 2.89Å; W101-G104 VanDerWaalsContact O-N 3.09Å; W101-H105 HydrophobicContact CD2-CB 4.25Å; W101-H105 HydrophobicContact CE3-CB 4.02Å; W101-H105 HydrophobicContact CH2-CB 3.87Å; W101-H105 AromaticContact CH2-CD2 3.72Å; W101-H105 AromaticContact CH2-CE1 3.95Å; W101-H105 AromaticContact CH2-CG 3.45Å; W101-H105 VanDerWaalsContact CH2-CG 3.45Å; W101-H105 AromaticContact CH2-ND1 3.61Å; W101-H105 HydrophobicContact CZ2-CB 4.11Å; W101-H105 AromaticContact CZ2-CE1 3.95Å; W101-H105 AromaticContact CZ2-CG 3.73Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 2.93Å; W101-H105 HydrophobicContact CZ3-CB 3.83Å; W101-H105 AromaticContact CZ3-CG 3.89Å; W101-H105 WeakPolarHBondContact O-CB 3.27Å; W101-H105 PolarHBondContact O-N 3.02Å; W101-Y106 HydrophobicContact CH2-CE2 4.39Å; W101-Y106 HydrophobicContact CZ3-CD2 4.39Å; W101-Y106 AromaticContact CZ3-CE2 3.8Å; W101-Y106 HydrophobicContact CZ3-CE2 3.8Å; W101-S145 PolarHBondContact NE1-O 3.29Å; W101-G146 VanDerWaalsContact CD1-CA 3.47Å; W101-G146 WeakPolarHBondContact O-CA 3.38Å; W101-T149 PolarHBondContact NE1-OG1 3.42Å; W101-N184 HydrophobicContact CB-CB 4.16Å; W101-N184 WeakPolarHBondContact CB-OD1 3.29Å; W101-N184 PolarHBondContact N-OD1 3.16Å; W101-L187 HydrophobicContact CB-CD1 4.33Å; W101-L187 HydrophobicContact CD2-CB 3.8Å; W101-L187 HydrophobicContact CD2-CD1 3.87Å; W101-L187 HydrophobicContact CD2-CG 4.45Å; W101-L187 HydrophobicContact CE3-CB 4.21Å; W101-L187 HydrophobicContact CE3-CD1 3.64Å; W101-L187 HydrophobicContact CE3-CG 4.43Å; W101-L187 HydrophobicContact CG-CB 4.08Å; W101-L187 HydrophobicContact CG-CD1 4.16Å; W101-L187 HydrophobicContact CZ2-CB 4.21Å; W101-L187 HydrophobicContact CZ3-CD1 4.26Å; W101-Q191 HydrophobicContact CZ2-CG 4.21Å; W101-Y398 HydrophobicContact CB-CE1 4.02Å; W101-M403 HydrophobicContact CE3-SD 4.17Å; W101-M403 HydrophobicContact CZ3-CE 4.4Å; W101-M403 HydrophobicContact CZ3-SD 4.04Å
102	A	97.9	Very high	94.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-37.4	-179.1	0	0	0	0	0	111.5	N100 G104 H105 Y106 Y398 E401 M403	N100-A102 VanDerWaalsContact C-N 3.35Å; N100-A102 PolarHBondContact O-N 2.91Å; N100-A102 WeakPolarHBondContact OD1-CB 3.47Å; N100-A102 PolarHBondContact OD1-N 3.5Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.3Å; A102-H105 PolarHBondContact O-N 2.91Å; A102-H105 VanDerWaalsContact O-N 3.15Å; A102-Y106 HydrophobicContact CB-CD2 4.21Å; A102-Y106 WeakPolarHBondContact O-CB 3.48Å; A102-Y106 PolarHBondContact O-N 3.45Å; A102-Y398 HydrophobicContact CB-CD1 3.77Å; A102-Y398 HydrophobicContact CB-CG 4.21Å; A102-E401 HydrophobicContact CB-CB 3.92Å; A102-E401 HydrophobicContact CB-CG 4.37Å; A102-M403 HydrophobicContact CB-CB 4.04Å; A102-M403 HydrophobicContact CB-SD 4.03Å
103	K	97	Very high	94.6	Very high	41 Å²	41	39.8 Å²	39.8	18%	0.178	23%	0.226	C	C	.	.	I	π-helix	trans	-63.9	-41	173.8	-165.5	172.1	-166.5	-136.4	0	111.9	G96 A97 N100 W101 H105 T107 E108 E401	G96-K103 PolarHBondContact O-NZ 3.1Å; A97-K103 HydrophobicContact CB-CB 4.48Å; N100-K103 HydrophobicContact CB-CB 3.91Å; N100-K103 PolarHBondContact O-N 2.74Å; N100-K103 PolarHBondContact OD1-N 3.46Å; W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 2.87Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.42Å; K103-T107 VanDerWaalsContact CA-OG1 3.31Å; K103-T107 WeakPolarHBondContact CA-OG1 3.35Å; K103-T107 VanDerWaalsContact CG-OG1 3.26Å; K103-T107 WeakPolarHBondContact CG-OG1 3.48Å; K103-T107 PolarHBondContact O-N 3.32Å; K103-T107 PolarHBondContact O-OG1 3.05Å; K103-E108 HydrophobicContact CD-CG 4.15Å; K103-E108 VanDerWaalsContact CE-CG 3.45Å; K103-E108 VanDerWaalsContact CE-OE1 3.23Å; K103-E108 WeakPolarHBondContact CE-OE1 3.27Å; K103-E108 HydrophobicContact CG-CG 3.81Å; K103-E108 IonicContact NZ-OE1 2.97Å; K103-E108 PolarHBondContact NZ-OE1 3.42Å; K103-E108 PolarHBondContact O-N 3.05Å; K103-E401 HydrophobicContact CB-CG 4.06Å
104	G	97.1	Very high	94.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-69.2	-20.2	174.1	0	0	0	0	0	114.1	N100 W101 A102 G109 G146 M147	N100-G104 PolarHBondContact O-N 3.01Å; N100-G104 VanDerWaalsContact O-N 3.11Å; W101-G104 CarbonylContact O-C 3.56Å; W101-G104 WeakPolarHBondContact O-CA 3.41Å; W101-G104 PolarHBondContact O-N 2.89Å; W101-G104 VanDerWaalsContact O-N 3.09Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.3Å; G104-G109 VanDerWaalsContact O-CA 3.24Å; G104-G109 WeakPolarHBondContact O-CA 3.22Å; G104-G146 CarbonylContact O-C 3.4Å; G104-M147 WeakPolarHBondContact O-CA 3.48Å; G104-M147 WeakPolarHBondContact O-CB 3.29Å; G104-M147 PolarHBondContact O-N 3.06Å
105	H	98.1	Very high	95.1	Very high	21 Å²	21	40.2 Å²	40.2	10%	0.097	23%	0.234	C	C	.	.	I	π-helix	trans	-104.5	-46.5	-174.3	-165.9	89.4	0	0	0	113.1	W101 A102 K103 G146 L150	W101-H105 HydrophobicContact CD2-CB 4.25Å; W101-H105 HydrophobicContact CE3-CB 4.02Å; W101-H105 HydrophobicContact CH2-CB 3.87Å; W101-H105 AromaticContact CH2-CD2 3.72Å; W101-H105 AromaticContact CH2-CE1 3.95Å; W101-H105 AromaticContact CH2-CG 3.45Å; W101-H105 VanDerWaalsContact CH2-CG 3.45Å; W101-H105 AromaticContact CH2-ND1 3.61Å; W101-H105 HydrophobicContact CZ2-CB 4.11Å; W101-H105 AromaticContact CZ2-CE1 3.95Å; W101-H105 AromaticContact CZ2-CG 3.73Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 2.93Å; W101-H105 HydrophobicContact CZ3-CB 3.83Å; W101-H105 AromaticContact CZ3-CG 3.89Å; W101-H105 WeakPolarHBondContact O-CB 3.27Å; W101-H105 PolarHBondContact O-N 3.02Å; A102-H105 PolarHBondContact O-N 2.91Å; A102-H105 VanDerWaalsContact O-N 3.15Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.42Å; H105-G146 PolarHBondContact ND1-O 3.05Å; H105-L150 WeakPolarHBondContact O-CD2 3.48Å
106	Y	97.3	Very high	95.6	Very high	86 Å²	86	37.6 Å²	37.6	34%	0.337	22%	0.216	S	C	.	.	I	π-helix	trans	-100.6	-20.6	-171.1	-70	-63.9	0	0	0	114.5	W101 A102 M403 E407	W101-Y106 HydrophobicContact CH2-CE2 4.39Å; W101-Y106 HydrophobicContact CZ3-CD2 4.39Å; W101-Y106 AromaticContact CZ3-CE2 3.8Å; W101-Y106 HydrophobicContact CZ3-CE2 3.8Å; A102-Y106 HydrophobicContact CB-CD2 4.21Å; A102-Y106 WeakPolarHBondContact O-CB 3.48Å; A102-Y106 PolarHBondContact O-N 3.45Å; Y106-M403 HydrophobicContact CD2-CB 3.9Å; Y106-M403 HydrophobicContact CD2-CG 4.42Å; Y106-M403 HydrophobicContact CE2-CB 3.7Å; Y106-M403 HydrophobicContact CE2-CG 3.77Å; Y106-M403 HydrophobicContact CE2-SD 4.5Å; Y106-E407 PolarHBondContact OH-OE1 2.94Å; Y106-E407 PolarHBondContact OH-OE2 2.98Å
107	T	96.2	Very high	96.1	Very high	36 Å²	36	37.5 Å²	37.5	22%	0.221	21%	0.214	C	C	.	.	I	π-helix	trans	-120	-94.7	-175.7	60.4	0	0	0	0	111.7	K103 G109 A110 E111 E401	K103-T107 VanDerWaalsContact CA-OG1 3.31Å; K103-T107 WeakPolarHBondContact CA-OG1 3.35Å; K103-T107 VanDerWaalsContact CG-OG1 3.26Å; K103-T107 WeakPolarHBondContact CG-OG1 3.48Å; K103-T107 PolarHBondContact O-N 3.32Å; K103-T107 PolarHBondContact O-OG1 3.05Å; T107-G109 VanDerWaalsContact C-N 3.3Å; T107-G109 PolarHBondContact O-N 3.27Å; T107-A110 WeakPolarHBondContact O-CB 2.97Å; T107-A110 PolarHBondContact O-N 3.18Å; T107-E111 PolarHBondContact O-N 2.96Å; T107-E401 WeakPolarHBondContact CB-OE2 3.18Å; T107-E401 HydrophobicContact CG2-CB 4.17Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.38Å; T107-E401 PolarHBondContact OG1-OE2 3.5Å
108	E	95.8	Very high	96.5	Very high	40 Å²	40	41.2 Å²	41.2	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-40.3	-172.2	-55.2	-77.3	-175.8	0	0	112.2	L68 S95 K103 L112	L68-E108 HydrophobicContact CD1-CB 3.99Å; L68-E108 HydrophobicContact CD2-CB 3.96Å; L68-E108 HydrophobicContact CG-CB 4.48Å; S95-E108 VanDerWaalsContact CB-CD 3.46Å; S95-E108 WeakPolarHBondContact CB-OE1 3.43Å; S95-E108 WeakPolarHBondContact CB-OE2 3.48Å; K103-E108 HydrophobicContact CD-CG 4.15Å; K103-E108 VanDerWaalsContact CE-CG 3.45Å; K103-E108 VanDerWaalsContact CE-OE1 3.23Å; K103-E108 WeakPolarHBondContact CE-OE1 3.27Å; K103-E108 HydrophobicContact CG-CG 3.81Å; K103-E108 IonicContact NZ-OE1 2.97Å; K103-E108 PolarHBondContact NZ-OE1 3.42Å; K103-E108 PolarHBondContact O-N 3.05Å; E108-L112 PolarHBondContact O-N 3.4Å
109	G	95.9	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-73.4	-33.3	176.9	0	0	0	0	0	113.6	G104 T107 E111 L112 V113	G104-G109 VanDerWaalsContact O-CA 3.24Å; G104-G109 WeakPolarHBondContact O-CA 3.22Å; T107-G109 VanDerWaalsContact C-N 3.3Å; T107-G109 PolarHBondContact O-N 3.27Å; G109-E111 VanDerWaalsContact C-N 3.3Å; G109-E111 PolarHBondContact O-N 2.92Å; G109-L112 PolarHBondContact O-N 3.1Å; G109-V113 WeakPolarHBondContact O-CB 3.49Å; G109-V113 PolarHBondContact O-N 3.37Å
110	A	95.9	Very high	97.2	Very high	41 Å²	41	35.2 Å²	35.2	34%	0.339	19%	0.186	S	C	.	.	H	α-helix	trans	-66	-33.8	174.1	0	0	0	0	0	111.9	T107 L112 V113	T107-A110 WeakPolarHBondContact O-CB 2.97Å; T107-A110 PolarHBondContact O-N 3.18Å; A110-L112 VanDerWaalsContact C-N 3.35Å; A110-V113 WeakPolarHBondContact O-CG1 3.27Å
111	E	95.9	Very high	97.3	Very high	158 Å²	158	38.1 Å²	38.1	74%	0.738	20%	0.196	S	C	*	.	H	α-helix	trans	-69.7	-31.7	174.2	-68.4	-173.3	-179.9	0	0	112.7	T107 G109	T107-E111 PolarHBondContact O-N 2.96Å; G109-E111 VanDerWaalsContact C-N 3.3Å; G109-E111 PolarHBondContact O-N 2.92Å
112	L	96.6	Very high	97.4	Very high	20 Å²	20	44.5 Å²	44.5	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-92.7	-21.5	-176	-166.7	62.7	0	0	0	113.8	L68 V91 E108 G109 A110 D114 S115 V116 M147	L68-L112 HydrophobicContact CD2-CB 4.31Å; L68-L112 HydrophobicContact CD2-CD2 3.86Å; V91-L112 HydrophobicContact CG1-CD1 3.74Å; V91-L112 HydrophobicContact CG1-CD2 4.37Å; V91-L112 HydrophobicContact CG1-CG 4.01Å; E108-L112 PolarHBondContact O-N 3.4Å; G109-L112 PolarHBondContact O-N 3.1Å; A110-L112 VanDerWaalsContact C-N 3.35Å; L112-D114 PolarHBondContact O-N 2.81Å; L112-S115 WeakPolarHBondContact O-CB 3.38Å; L112-S115 PolarHBondContact O-N 3.35Å; L112-S115 VanDerWaalsContact O-N 3.14Å; L112-V116 HydrophobicContact CG-CG2 4.34Å; L112-V116 PolarHBondContact O-N 2.94Å; L112-M147 HydrophobicContact CB-CE 3.79Å; L112-M147 HydrophobicContact CD2-CE 3.73Å; L112-M147 HydrophobicContact CD2-SD 4.2Å; L112-M147 HydrophobicContact CG-CE 3.81Å
113	V	97.5	Very high	97.4	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-44.3	-168.9	72.1	0	0	0	0	113.4	G109 A110 S115 V116 L117 L150 L151 K154	G109-V113 WeakPolarHBondContact O-CB 3.49Å; G109-V113 PolarHBondContact O-N 3.37Å; A110-V113 WeakPolarHBondContact O-CG1 3.27Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 3.08Å; V113-V116 WeakPolarHBondContact O-CB 3.31Å; V113-V116 PolarHBondContact O-N 3.37Å; V113-L117 HydrophobicContact CG2-CD1 4.13Å; V113-L117 HydrophobicContact CG2-CG 4.31Å; V113-L117 WeakPolarHBondContact O-CG 3.44Å; V113-L117 PolarHBondContact O-N 3.37Å; V113-L150 HydrophobicContact CB-CD2 3.94Å; V113-L150 HydrophobicContact CG1-CD2 4.34Å; V113-L150 HydrophobicContact CG2-CD2 3.96Å; V113-L150 HydrophobicContact CG2-CG 4.03Å; V113-L151 HydrophobicContact CG2-CD2 3.78Å; V113-K154 HydrophobicContact CG2-CG 4.22Å
114	D	97.8	Very high	97.4	Very high	110 Å²	110	43 Å²	43	59%	0.588	22%	0.219	S	C	*	.	H	α-helix	trans	-63.1	-38.1	-177.7	-71.1	-22.4	0	0	0	111.7	L112 V116 L117 D118	L112-D114 PolarHBondContact O-N 2.81Å; D114-V116 VanDerWaalsContact C-N 3.3Å; D114-V116 PolarHBondContact O-N 2.94Å; D114-L117 PolarHBondContact O-N 2.77Å; D114-D118 PolarHBondContact O-N 3.39Å
115	S	97.7	Very high	97.3	Very high	62 Å²	62	49.9 Å²	49.9	43%	0.434	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-36.2	176.4	-63.3	0	0	0	0	111.7	L112 V113	L112-S115 WeakPolarHBondContact O-CB 3.38Å; L112-S115 PolarHBondContact O-N 3.35Å; L112-S115 VanDerWaalsContact O-N 3.14Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 3.08Å
116	V	98.2	Very high	97.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70	-45.3	174.8	-178.5	0	0	0	0	110.5	I64 V66 V91 L112 V113 D114 D118 V119 V120 M147 L151	I64-V116 HydrophobicContact CG2-CG1 4.28Å; V66-V116 HydrophobicContact CG1-CG2 3.76Å; V66-V116 HydrophobicContact CG2-CG1 3.66Å; V66-V116 HydrophobicContact CG2-CG2 3.95Å; V91-V116 HydrophobicContact CB-CG2 3.97Å; V91-V116 HydrophobicContact CG1-CG2 3.57Å; L112-V116 HydrophobicContact CG-CG2 4.34Å; L112-V116 PolarHBondContact O-N 2.94Å; V113-V116 WeakPolarHBondContact O-CB 3.31Å; V113-V116 PolarHBondContact O-N 3.37Å; D114-V116 VanDerWaalsContact C-N 3.3Å; D114-V116 PolarHBondContact O-N 2.94Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 3.36Å; V116-V119 WeakPolarHBondContact O-CA 3.4Å; V116-V119 WeakPolarHBondContact O-CB 3.5Å; V116-V119 PolarHBondContact O-N 3.16Å; V116-V120 HydrophobicContact CG1-CG2 4.19Å; V116-V120 WeakPolarHBondContact O-CG2 3.37Å; V116-V120 PolarHBondContact O-N 3.13Å; V116-M147 HydrophobicContact CG2-CE 3.63Å; V116-L151 HydrophobicContact CB-CD2 3.77Å; V116-L151 HydrophobicContact CG1-CD1 4.06Å; V116-L151 HydrophobicContact CG1-CD2 3.53Å; V116-L151 HydrophobicContact CG1-CG 4.47Å; V116-L151 HydrophobicContact CG2-CD2 4.45Å
117	L	98.4	Very high	97.2	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-35.8	179.2	-70.4	172.9	0	0	0	112	V113 D114 V119 V120 R121 K154 I155	V113-L117 HydrophobicContact CG2-CD1 4.13Å; V113-L117 HydrophobicContact CG2-CG 4.31Å; V113-L117 WeakPolarHBondContact O-CG 3.44Å; V113-L117 PolarHBondContact O-N 3.37Å; D114-L117 PolarHBondContact O-N 2.77Å; L117-V119 VanDerWaalsContact C-N 3.31Å; L117-V119 PolarHBondContact O-N 3.15Å; L117-V120 PolarHBondContact O-N 2.96Å; L117-R121 WeakPolarHBondContact O-CB 3.48Å; L117-R121 PolarHBondContact O-N 3.01Å; L117-K154 HydrophobicContact CD1-CB 3.82Å; L117-K154 HydrophobicContact CD1-CG 4.23Å; L117-K154 HydrophobicContact CD2-CB 3.93Å; L117-K154 HydrophobicContact CG-CB 4.43Å; L117-I155 HydrophobicContact CD2-CG1 3.92Å
118	D	98.3	Very high	97.1	Very high	80 Å²	80	52.4 Å²	52.4	43%	0.428	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-37.5	172.9	-80.7	-10.2	0	0	0	112.9	D114 V116 R121 K122	D114-D118 PolarHBondContact O-N 3.39Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 3.36Å; D118-R121 IonicContact OD1-CZ 3.88Å; D118-R121 IonicContact OD1-NH1 2.56Å; D118-R121 PolarHBondContact OD1-NH1 2.88Å; D118-K122 VanDerWaalsContact O-CG 3.29Å; D118-K122 WeakPolarHBondContact O-CG 3.48Å; D118-K122 PolarHBondContact O-N 3.36Å
119	V	98.3	Very high	97	Very high	12 Å²	12	53.6 Å²	53.6	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-72.8	-41.6	174.4	-179.5	0	0	0	0	110.7	I64 N89 V91 V116 L117 R121 K122 E123	I64-V119 HydrophobicContact CD1-CG1 3.96Å; I64-V119 HydrophobicContact CG1-CG1 3.88Å; I64-V119 HydrophobicContact CG2-CB 4.44Å; I64-V119 HydrophobicContact CG2-CG1 4.01Å; N89-V119 HydrophobicContact CB-CG1 4.19Å; V91-V119 HydrophobicContact CG2-CB 4.44Å; V91-V119 HydrophobicContact CG2-CG2 3.72Å; V116-V119 WeakPolarHBondContact O-CA 3.4Å; V116-V119 WeakPolarHBondContact O-CB 3.5Å; V116-V119 PolarHBondContact O-N 3.16Å; L117-V119 VanDerWaalsContact C-N 3.31Å; L117-V119 PolarHBondContact O-N 3.15Å; V119-R121 VanDerWaalsContact C-N 3.28Å; V119-R121 PolarHBondContact O-N 3.25Å; V119-K122 PolarHBondContact O-N 2.82Å; V119-E123 PolarHBondContact O-N 2.69Å
120	V	98.5	Very high	97	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-55.4	-46.7	174.4	174.2	0	0	0	0	110.3	I7 I64 V116 L117 E123 A124 F133 I155 Y159	I7-V120 HydrophobicContact CD1-CG2 4.03Å; I64-V120 VanDerWaalsContact CD1-CA 3.45Å; I64-V120 HydrophobicContact CD1-CB 4.06Å; I64-V120 HydrophobicContact CD1-CG2 3.53Å; V116-V120 HydrophobicContact CG1-CG2 4.19Å; V116-V120 WeakPolarHBondContact O-CG2 3.37Å; V116-V120 PolarHBondContact O-N 3.13Å; L117-V120 PolarHBondContact O-N 2.96Å; V120-E123 PolarHBondContact O-N 3.01Å; V120-A124 WeakPolarHBondContact O-CB 3.34Å; V120-A124 PolarHBondContact O-N 3.06Å; V120-F133 HydrophobicContact CG1-CD1 4.21Å; V120-F133 HydrophobicContact CG1-CE1 3.5Å; V120-F133 HydrophobicContact CG1-CZ 4.1Å; V120-I155 HydrophobicContact CG1-CD1 4.21Å; V120-I155 HydrophobicContact CG1-CG1 4.2Å; V120-I155 HydrophobicContact CG2-CD1 4.18Å; V120-Y159 HydrophobicContact CG1-CE2 4.37Å
121	R	98.3	Very high	97	Very high	71 Å²	71	53.1 Å²	53.1	27%	0.268	28%	0.277	S	S	.	.	H	α-helix	trans	-61.5	-46.1	178.9	-166.7	174.2	-54.1	107.3	4.6	112	L117 D118 V119 E123 A124 E125 E158	L117-R121 WeakPolarHBondContact O-CB 3.48Å; L117-R121 PolarHBondContact O-N 3.01Å; D118-R121 IonicContact OD1-CZ 3.88Å; D118-R121 IonicContact OD1-NH1 2.56Å; D118-R121 PolarHBondContact OD1-NH1 2.88Å; V119-R121 VanDerWaalsContact C-N 3.28Å; V119-R121 PolarHBondContact O-N 3.25Å; R121-E123 PolarHBondContact O-N 2.71Å; R121-A124 PolarHBondContact O-N 2.85Å; R121-E125 HydrophobicContact CG-CG 4.4Å; R121-E125 WeakPolarHBondContact CG-OE1 3.47Å; R121-E125 WeakPolarHBondContact O-CB 3.29Å; R121-E125 VanDerWaalsContact O-CG 3.25Å; R121-E125 WeakPolarHBondContact O-CG 3.37Å; R121-E125 PolarHBondContact O-N 3.48Å; R121-E158 IonicContact CZ-OE2 2.88Å; R121-E158 IonicContact NE-OE2 2.77Å; R121-E158 PolarHBondContact NE-OE2 3.09Å; R121-E158 VanDerWaalsContact NH2-CD 3.31Å; R121-E158 IonicContact NH2-OE1 2.8Å; R121-E158 PolarHBondContact NH2-OE1 2.9Å; R121-E158 IonicContact NH2-OE2 3.95Å; R121-E158 PolarHBondContact NH2-OE2 3.39Å
122	K	97.9	Very high	97	Very high	136 Å²	136	45.6 Å²	45.6	59%	0.591	24%	0.242	S	C	*	.	H	α-helix	trans	-60.1	-44.7	176.1	-72.5	168.5	-173	169.7	0	112.5	D118 V119 S126	D118-K122 VanDerWaalsContact O-CG 3.29Å; D118-K122 WeakPolarHBondContact O-CG 3.48Å; D118-K122 PolarHBondContact O-N 3.36Å; V119-K122 PolarHBondContact O-N 2.82Å; K122-S126 WeakPolarHBondContact O-CB 3.33Å; K122-S126 PolarHBondContact O-N 2.84Å; K122-S126 VanDerWaalsContact O-N 3.09Å
123	E	97.7	Very high	97.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-40.1	178.9	-71.8	-62.4	143.4	0	0	111.4	V5 I64 R86 N89 V119 V120 R121 S126 C127	V5-E123 HydrophobicContact CG1-CB 4.09Å; V5-E123 HydrophobicContact CG2-CB 4Å; I64-E123 HydrophobicContact CD1-CB 4.36Å; I64-E123 HydrophobicContact CD1-CG 4.23Å; I64-E123 HydrophobicContact CG1-CG 4.23Å; R86-E123 IonicContact CZ-OE1 2.7Å; R86-E123 IonicContact NH1-OE1 3.38Å; R86-E123 PolarHBondContact NH1-OE1 3.43Å; N89-E123 VanDerWaalsContact ND2-CD 3.31Å; N89-E123 PolarHBondContact ND2-OE1 3.42Å; V119-E123 PolarHBondContact O-N 2.69Å; V120-E123 PolarHBondContact O-N 3.01Å; R121-E123 PolarHBondContact O-N 2.71Å; E123-S126 PolarHBondContact O-N 3.16Å; E123-S126 PolarHBondContact O-OG 2.86Å; E123-C127 PolarHBondContact O-N 2.88Å; E123-C127 PolarHBondContact O-SG 3.17Å
124	A	97.3	Very high	97.2	Very high	8 Å²	8	44.1 Å²	44.1	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-45.8	175	0	0	0	0	0	112.6	V120 R121 S126 C127 L130 F133 Y159	V120-A124 WeakPolarHBondContact O-CB 3.34Å; V120-A124 PolarHBondContact O-N 3.06Å; R121-A124 PolarHBondContact O-N 2.85Å; A124-S126 PolarHBondContact O-N 2.65Å; A124-C127 VanDerWaalsContact O-CB 3.31Å; A124-C127 WeakPolarHBondContact O-CB 3.47Å; A124-C127 PolarHBondContact O-N 2.86Å; A124-C127 VanDerWaalsContact O-N 3.13Å; A124-L130 HydrophobicContact CB-CD2 3.86Å; A124-F133 HydrophobicContact CB-CZ 4.43Å; A124-Y159 HydrophobicContact CB-CE1 4.1Å
125	E	96.7	Very high	97.2	Very high	145 Å²	145	38.9 Å²	38.9	68%	0.678	21%	0.206	S	C	*	.	H	α-helix	trans	-66.7	-24.7	176.3	-73	174.3	175.2	0	0	112.5	R121 C127	R121-E125 HydrophobicContact CG-CG 4.4Å; R121-E125 WeakPolarHBondContact CG-OE1 3.47Å; R121-E125 WeakPolarHBondContact O-CB 3.29Å; R121-E125 VanDerWaalsContact O-CG 3.25Å; R121-E125 WeakPolarHBondContact O-CG 3.37Å; R121-E125 PolarHBondContact O-N 3.48Å; E125-C127 PolarHBondContact O-N 3.07Å
126	S	95.5	Very high	97.2	Very high	39 Å²	39	36 Å²	36	27%	0.273	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	0.4	174.3	83.4	0	0	0	0	114.2	R62 K122 E123 A124	R62-S126 PolarHBondContact NH1-O 3.11Å; R62-S126 PolarHBondContact NH1-OG 2.84Å; R62-S126 VanDerWaalsContact NH1-OG 3.1Å; K122-S126 WeakPolarHBondContact O-CB 3.33Å; K122-S126 PolarHBondContact O-N 2.84Å; K122-S126 VanDerWaalsContact O-N 3.09Å; E123-S126 PolarHBondContact O-N 3.16Å; E123-S126 PolarHBondContact O-OG 2.86Å; A124-S126 PolarHBondContact O-N 2.65Å
127	C	96.2	Very high	97.2	Very high	16 Å²	16	36 Å²	36	11%	0.108	19%	0.185	C	C	.	.			trans	-92.8	136.7	174.9	-62.1	0	0	0	0	110.2	E3 E123 A124 E125 L130	E3-C127 HydrophobicContact CB-CB 3.93Å; E3-C127 HydrophobicContact CG-CB 4.32Å; E123-C127 PolarHBondContact O-N 2.88Å; E123-C127 PolarHBondContact O-SG 3.17Å; A124-C127 VanDerWaalsContact O-CB 3.31Å; A124-C127 WeakPolarHBondContact O-CB 3.47Å; A124-C127 PolarHBondContact O-N 2.86Å; A124-C127 VanDerWaalsContact O-N 3.13Å; E125-C127 PolarHBondContact O-N 3.07Å; C127-L130 HydrophobicContact CB-CB 4.05Å
128	D	94.5	Very high	97.1	Very high	140 Å²	140	36.4 Å²	36.4	75%	0.749	19%	0.189	S	C	*	.	S	Bend	trans	-68.8	-38.1	174.6	-64.4	-36.2	0	0	0	111.5	E3	E3-D128 PolarHBondContact OE2-N 3.33Å
129	C	94	Very high	97	Very high	65 Å²	65	32.8 Å²	32.8	44%	0.439	17%	0.169	S	C	.	.	S	Bend	trans	-152.5	87.1	172.9	173.4	0	0	0	0	109.7	M1 R2 E3 Q131	M1-C129 VanDerWaalsContact O-CB 3.25Å; M1-C129 WeakPolarHBondContact O-CB 3.41Å; R2-C129 WeakPolarHBondContact CA-O 3.12Å; E3-C129 PolarHBondContact N-O 3.18Å; E3-C129 VanDerWaalsContact N-O 3.11Å; E3-C129 WeakPolarHBondContact OE2-CA 3.2Å; E3-C129 PolarHBondContact OE2-N 3.09Å; C129-Q131 PolarHBondContact O-N 3.15Å
130	L	96.6	Very high	96.7	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	124.2	173.1	179.5	68.6	0	0	0	110.9	V5 A124 C127 G132 F133 Y159 R162	V5-L130 HydrophobicContact CG2-CD1 3.89Å; A124-L130 HydrophobicContact CB-CD2 3.86Å; C127-L130 HydrophobicContact CB-CB 4.05Å; L130-G132 WeakPolarHBondContact CD1-O 3.38Å; L130-F133 HydrophobicContact CD2-CE1 4.29Å; L130-F133 HydrophobicContact CD2-CE2 3.97Å; L130-F133 HydrophobicContact CD2-CZ 3.62Å; L130-Y159 HydrophobicContact CD2-CD1 4.3Å; L130-Y159 HydrophobicContact CD2-CE1 4.45Å; L130-R162 HydrophobicContact CD2-CG 4.1Å; L130-R162 HydrophobicContact CG-CG 4.45Å; L130-R162 WeakPolarHBondContact O-CD 3.48Å; L130-R162 PolarHBondContact O-NE 3.18Å
131	Q	94.8	Very high	96.3	Very high	16 Å²	16	33 Å²	33	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-37.9	174.6	179.1	176.8	103.4	0	0	112.1	R2 E3 C129 I163 D249 L250	R2-Q131 HydrophobicContact CB-CB 4.26Å; E3-Q131 WeakPolarHBondContact O-CB 3.48Å; E3-Q131 PolarHBondContact O-N 3.15Å; C129-Q131 PolarHBondContact O-N 3.15Å; Q131-I163 PolarHBondContact O-N 3.49Å; Q131-I163 VanDerWaalsContact O-N 3.15Å; Q131-D249 HydrophobicContact CG-CB 4.39Å; Q131-L250 VanDerWaalsContact CD-N 3.27Å; Q131-L250 HydrophobicContact CG-CB 4.09Å; Q131-L250 HydrophobicContact CG-CD1 4.35Å; Q131-L250 HydrophobicContact CG-CG 4.49Å; Q131-L250 VanDerWaalsContact OE1-CB 3.27Å
132	G	97.1	Very high	96	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	-179.7	-171.2	0	0	0	0	0	114	I4 V5 L130 I163	I4-G132 WeakPolarHBondContact CA-O 3.27Å; V5-G132 PolarHBondContact N-O 3Å; L130-G132 WeakPolarHBondContact CD1-O 3.38Å; G132-I163 CarbonylContact C-O 3.57Å; G132-I163 WeakPolarHBondContact CA-O 3.47Å
133	F	98.4	Very high	95.9	Very high	1 Å²	1	24 Å²	24	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.6	176.1	-57.5	-86	0	0	0	108.8	V5 I7 V120 A124 L130 I155 Y159 R162 I163 M164 N165	V5-F133 HydrophobicContact CB-CD1 3.78Å; V5-F133 HydrophobicContact CB-CE1 4.02Å; V5-F133 HydrophobicContact CG1-CD1 4.11Å; V5-F133 HydrophobicContact CG1-CE1 4.33Å; V5-F133 HydrophobicContact CG2-CE1 4.39Å; V5-F133 WeakPolarHBondContact O-CA 3.4Å; I7-F133 HydrophobicContact CD1-CD1 4.2Å; V120-F133 HydrophobicContact CG1-CD1 4.21Å; V120-F133 HydrophobicContact CG1-CE1 3.5Å; V120-F133 HydrophobicContact CG1-CZ 4.1Å; A124-F133 HydrophobicContact CB-CZ 4.43Å; L130-F133 HydrophobicContact CD2-CE1 4.29Å; L130-F133 HydrophobicContact CD2-CE2 3.97Å; L130-F133 HydrophobicContact CD2-CZ 3.62Å; F133-I155 HydrophobicContact CD1-CG2 4.14Å; F133-I155 HydrophobicContact CD2-CG2 3.32Å; F133-I155 HydrophobicContact CE1-CG2 4.19Å; F133-I155 HydrophobicContact CE2-CG2 3.35Å; F133-I155 HydrophobicContact CG-CG2 3.73Å; F133-I155 HydrophobicContact CZ-CG2 3.79Å; F133-Y159 HydrophobicContact CE2-CD1 4.38Å; F133-Y159 AromaticContact CE2-CD2 3.77Å; F133-Y159 HydrophobicContact CE2-CD2 3.77Å; F133-Y159 HydrophobicContact CE2-CE2 4.49Å; F133-Y159 AromaticContact CE2-CG 3.7Å; F133-Y159 HydrophobicContact CE2-CG 3.7Å; F133-Y159 HydrophobicContact CZ-CD1 4.24Å; F133-Y159 AromaticContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CE1 4.47Å; F133-Y159 AromaticContact CZ-CE2 3.85Å; F133-Y159 HydrophobicContact CZ-CE2 3.85Å; F133-Y159 AromaticContact CZ-CG 3.79Å; F133-Y159 HydrophobicContact CZ-CG 3.79Å; F133-R162 HydrophobicContact CD2-CB 4.44Å; F133-R162 HydrophobicContact CE2-CB 4.17Å; F133-I163 PolarHBondContact N-O 3.13Å; F133-M164 HydrophobicContact CB-CE 3.89Å; F133-M164 HydrophobicContact CB-SD 3.91Å; F133-M164 HydrophobicContact CD2-CE 4.2Å; F133-M164 HydrophobicContact CG-CE 4.28Å; F133-N165 PolarHBondContact O-N 3.4Å
134	Q	98	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.3	174.5	-179.4	176.6	78.1	0	0	108.9	I4 V5 H6 I7 Y50 N165 F167	I4-Q134 HydrophobicContact CG2-CB 3.76Å; V5-Q134 PolarHBondContact O-N 2.71Å; H6-Q134 CarbonylContact C-O 3.46Å; H6-Q134 VanDerWaalsContact CA-O 3.31Å; H6-Q134 WeakPolarHBondContact CA-O 3.33Å; H6-Q134 PolarHBondContact CD2-O 2.71Å; H6-Q134 PolarHBondContact CD2-OE1 3.42Å; H6-Q134 VanDerWaalsContact CD2-OE1 3.28Å; I7-Q134 PolarHBondContact N-O 2.79Å; Y50-Q134 VanDerWaalsContact OH-CD 3.22Å; Y50-Q134 PolarHBondContact OH-NE2 2.77Å; Y50-Q134 VanDerWaalsContact OH-NE2 3.08Å; Y50-Q134 PolarHBondContact OH-OE1 2.91Å; Q134-N165 CarbonylContact C-O 3.45Å; Q134-N165 VanDerWaalsContact CA-O 3.26Å; Q134-N165 WeakPolarHBondContact CA-O 3.35Å; Q134-N165 PolarHBondContact NE2-ND2 3.13Å; Q134-F167 HydrophobicContact CG-CD2 4.02Å; Q134-F167 HydrophobicContact CG-CE2 3.93Å
135	L	98.4	Very high	95.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.2	-177.2	-175.9	145.6	0	0	0	111.3	I7 H137 I152 N165 T166 F167	I7-L135 HydrophobicContact CB-CB 4.43Å; I7-L135 HydrophobicContact CB-CD1 4.3Å; I7-L135 HydrophobicContact CB-CG 4.39Å; I7-L135 HydrophobicContact CG2-CD1 4.08Å; I7-L135 HydrophobicContact CG2-CG 4.49Å; I7-L135 CarbonylContact O-C 3.16Å; I7-L135 VanDerWaalsContact O-CA 3.31Å; I7-L135 WeakPolarHBondContact O-CA 3.3Å; L135-H137 HydrophobicContact CD2-CB 3.5Å; L135-I152 HydrophobicContact CD1-CD1 4.34Å; L135-I152 HydrophobicContact CD1-CG1 3.9Å; L135-I152 HydrophobicContact CD2-CD1 4.14Å; L135-N165 PolarHBondContact N-O 3.45Å; L135-T166 HydrophobicContact CB-CG2 4.37Å; L135-T166 CarbonylContact O-C 3.15Å; L135-T166 WeakPolarHBondContact O-CA 3.35Å; L135-F167 PolarHBondContact O-N 3.47Å
136	T	98.4	Very high	95.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.9	172.7	-54.2	0	0	0	0	109.4	H6 I7 A9 G13 I16 F167 M233	H6-T136 PolarHBondContact NE2-OG1 3.28Å; H6-T136 VanDerWaalsContact NE2-OG1 3.1Å; I7-T136 PolarHBondContact O-N 2.96Å; A9-T136 PolarHBondContact N-O 3.02Å; G13-T136 VanDerWaalsContact CA-O 3.25Å; G13-T136 WeakPolarHBondContact CA-O 3.21Å; I16-T136 HydrophobicContact CB-CG2 3.86Å; I16-T136 HydrophobicContact CD1-CG2 4.31Å; I16-T136 HydrophobicContact CG2-CG2 3.63Å; T136-F167 HydrophobicContact CG2-CB 4.25Å; T136-M233 VanDerWaalsContact OG1-CE 3.26Å; T136-M233 WeakPolarHBondContact OG1-CE 3.46Å
137	H	98	Very high	95.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	172.7	-176.1	71.4	163	0	0	0	113	A9 L135 L139 G144 F167 S168 V169	A9-H137 HydrophobicContact CB-CB 4.21Å; L135-H137 HydrophobicContact CD2-CB 3.5Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.36Å; H137-G144 PolarHBondContact ND1-O 2.97Å; H137-F167 PolarHBondContact N-O 2.95Å; H137-F167 VanDerWaalsContact N-O 3.14Å; H137-S168 PolarHBondContact CD2-OG 2.61Å; H137-S168 PolarHBondContact NE2-OG 3.16Å; H137-V169 PolarHBondContact O-N 3.37Å
138	S	95.9	Very high	96	Very high	16 Å²	16	14.1 Å²	14.1	11%	0.112	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133	172.7	171.6	0	0	0	0	109.9	G140 G144 S145 V169	S138-G140 VanDerWaalsContact C-N 3.25Å; S138-G140 PolarHBondContact O-N 3.09Å; S138-G140 PolarHBondContact OG-N 2.89Å; S138-G144 CarbonylContact O-C 3.52Å; S138-S145 WeakPolarHBondContact O-CA 3.25Å; S138-S145 PolarHBondContact O-N 2.82Å; S138-V169 WeakPolarHBondContact CA-O 3.47Å
139	L	95.9	Very high	96.1	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.021	5%	0.051	C	C	.	.	S	Bend	trans	-78.2	-12.4	176.6	-48.9	-171.6	0	0	0	112.5	H137 S145 V169 V170 N184 A185 V189 L192	H137-L139 WeakPolarHBondContact NE2-CD2 3.36Å; L139-S145 WeakPolarHBondContact O-CB 3.37Å; L139-V169 PolarHBondContact N-O 3.26Å; L139-V170 HydrophobicContact CD1-CG2 4.05Å; L139-N184 CarbonylContact O-C 3.58Å; L139-N184 VanDerWaalsContact O-CB 3.27Å; L139-N184 WeakPolarHBondContact O-CB 3.02Å; L139-A185 HydrophobicContact CB-CB 4.27Å; L139-A185 WeakPolarHBondContact O-CA 3.23Å; L139-A185 PolarHBondContact O-N 3.12Å; L139-A185 VanDerWaalsContact O-N 3.09Å; L139-V189 HydrophobicContact CD1-CG2 4.23Å; L139-L192 HydrophobicContact CD1-CD1 4.04Å; L139-L192 HydrophobicContact CD2-CD1 3.69Å
140	G	91.9	Very high	96.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-93.9	-26.6	-179.2	0	0	0	0	0	114.5	S138 N184	S138-G140 VanDerWaalsContact C-N 3.25Å; S138-G140 PolarHBondContact O-N 3.09Å; S138-G140 PolarHBondContact OG-N 2.89Å; G140-N184 PolarHBondContact O-ND2 2.75Å
141	G	90.7	Very high	96.4	Very high	17 Å²	17	4.4 Å²	4.4	18%	0.175	3%	0.031	C	C	.	.	S	Bend	trans	-97.3	147.4	-175.8	0	0	0	0	0	113.1	T143 G144 S145	G141-T143 PolarHBondContact O-N 2.91Å; G141-G144 PolarHBondContact O-N 2.69Å; G141-S145 WeakPolarHBondContact O-CB 3.24Å; G141-S145 PolarHBondContact O-N 2.95Å; G141-S145 PolarHBondContact O-OG 3.05Å
142	G	92.4	Very high	96.6	Very high	3 Å²	3	3.7 Å²	3.7	3%	0.031	3%	0.027	C	C	.	.	H	α-helix	trans	-62	-42.3	-169.5	0	0	0	0	0	115.4	G146	G142-G146 WeakPolarHBondContact O-CA 3.37Å; G142-G146 PolarHBondContact O-N 3.32Å
143	T	96	Very high	96.6	Very high	15 Å²	15	4.8 Å²	4.8	9%	0.092	4%	0.035	C	C	.	.	I	π-helix	trans	-70.5	-50.1	177.4	-50	0	0	0	0	111.4	D67 L68 G141 S145 M147 G148	D67-T143 PolarHBondContact OD1-OG1 2.87Å; L68-T143 HydrophobicContact CB-CG2 4.35Å; L68-T143 HydrophobicContact CD1-CG2 4.05Å; L68-T143 HydrophobicContact CG-CG2 3.83Å; G141-T143 PolarHBondContact O-N 2.91Å; T143-S145 VanDerWaalsContact C-N 3.32Å; T143-S145 PolarHBondContact O-N 3.27Å; T143-M147 HydrophobicContact CG2-CB 4.31Å; T143-M147 HydrophobicContact CG2-SD 4.31Å; T143-M147 WeakPolarHBondContact O-CA 3.35Å; T143-M147 VanDerWaalsContact O-CB 3.25Å; T143-M147 WeakPolarHBondContact O-CB 3.31Å; T143-M147 PolarHBondContact O-N 2.88Å; T143-M147 VanDerWaalsContact O-N 3.13Å; T143-G148 PolarHBondContact O-N 2.85Å
144	G	95.5	Very high	96.6	Very high	4 Å²	4	7.8 Å²	7.8	4%	0.041	5%	0.048	C	C	.	.	I	π-helix	trans	-61.5	-44	-179.2	0	0	0	0	0	111.4	H137 S138 G141 G148	H137-G144 PolarHBondContact ND1-O 2.97Å; S138-G144 CarbonylContact O-C 3.52Å; G141-G144 PolarHBondContact O-N 2.69Å; G144-G148 WeakPolarHBondContact O-CA 3.18Å; G144-G148 PolarHBondContact O-N 3.28Å
145	S	96.6	Very high	96.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.048	C	C	.	.	I	π-helix	trans	-76.9	-58.9	-175.8	77.6	0	0	0	0	110.8	W101 S138 L139 G141 T143 T149 S188	W101-S145 PolarHBondContact NE1-O 3.29Å; S138-S145 WeakPolarHBondContact O-CA 3.25Å; S138-S145 PolarHBondContact O-N 2.82Å; L139-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 WeakPolarHBondContact O-CB 3.24Å; G141-S145 PolarHBondContact O-N 2.95Å; G141-S145 PolarHBondContact O-OG 3.05Å; T143-S145 VanDerWaalsContact C-N 3.32Å; T143-S145 PolarHBondContact O-N 3.27Å; S145-T149 WeakPolarHBondContact O-CB 3.4Å; S145-T149 WeakPolarHBondContact O-CG2 3.38Å; S145-T149 PolarHBondContact O-N 3.15Å; S145-T149 PolarHBondContact O-OG1 3.23Å; S145-S188 VanDerWaalsContact CB-OG 3.24Å; S145-S188 WeakPolarHBondContact CB-OG 3.18Å
146	G	97.3	Very high	96.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-73.2	-56.6	-172.8	0	0	0	0	0	112.9	W101 G104 H105 G142 T149 L150	W101-G146 VanDerWaalsContact CD1-CA 3.47Å; W101-G146 WeakPolarHBondContact O-CA 3.38Å; G104-G146 CarbonylContact O-C 3.4Å; H105-G146 PolarHBondContact ND1-O 3.05Å; G142-G146 WeakPolarHBondContact O-CA 3.37Å; G142-G146 PolarHBondContact O-N 3.32Å; G146-T149 PolarHBondContact O-OG1 3.16Å; G146-L150 WeakPolarHBondContact O-CB 3.1Å; G146-L150 PolarHBondContact O-N 3.12Å
147	M	97.2	Very high	96.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-72.9	-38.6	-178.9	-171.1	-174.8	-178.1	0	0	111	V66 L68 G104 L112 V116 T143 T149 L150 L151	V66-M147 HydrophobicContact CG1-CE 3.39Å; V66-M147 HydrophobicContact CG1-SD 3.62Å; L68-M147 HydrophobicContact CD1-SD 4.5Å; L68-M147 HydrophobicContact CD2-SD 3.69Å; L68-M147 HydrophobicContact CG-SD 3.95Å; G104-M147 WeakPolarHBondContact O-CA 3.48Å; G104-M147 WeakPolarHBondContact O-CB 3.29Å; G104-M147 PolarHBondContact O-N 3.06Å; L112-M147 HydrophobicContact CB-CE 3.79Å; L112-M147 HydrophobicContact CD2-CE 3.73Å; L112-M147 HydrophobicContact CD2-SD 4.2Å; L112-M147 HydrophobicContact CG-CE 3.81Å; V116-M147 HydrophobicContact CG2-CE 3.63Å; T143-M147 HydrophobicContact CG2-CB 4.31Å; T143-M147 HydrophobicContact CG2-SD 4.31Å; T143-M147 WeakPolarHBondContact O-CA 3.35Å; T143-M147 VanDerWaalsContact O-CB 3.25Å; T143-M147 WeakPolarHBondContact O-CB 3.31Å; T143-M147 PolarHBondContact O-N 2.88Å; T143-M147 VanDerWaalsContact O-N 3.13Å; M147-T149 PolarHBondContact O-N 3.43Å; M147-L150 PolarHBondContact O-N 3.09Å; M147-L151 HydrophobicContact CE-CD1 4.33Å; M147-L151 HydrophobicContact CG-CD1 4.32Å; M147-L151 HydrophobicContact CG-CG 4.49Å; M147-L151 WeakPolarHBondContact O-CB 3.35Å; M147-L151 VanDerWaalsContact O-CG 3.31Å; M147-L151 WeakPolarHBondContact O-CG 3.28Å; M147-L151 PolarHBondContact O-N 2.84Å
148	G	97.8	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60	-44.2	176.6	0	0	0	0	0	112.4	T143 G144 L151 I152	T143-G148 PolarHBondContact O-N 2.85Å; G144-G148 WeakPolarHBondContact O-CA 3.18Å; G144-G148 PolarHBondContact O-N 3.28Å; G148-L151 PolarHBondContact O-N 2.72Å; G148-I152 WeakPolarHBondContact O-CG1 3.41Å; G148-I152 PolarHBondContact O-N 3.32Å
149	T	98.1	Very high	96.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-74.6	-31.1	177.8	64	0	0	0	0	113.3	W101 S145 G146 M147 L151 I152 S153 Q191	W101-T149 PolarHBondContact NE1-OG1 3.42Å; S145-T149 WeakPolarHBondContact O-CB 3.4Å; S145-T149 WeakPolarHBondContact O-CG2 3.38Å; S145-T149 PolarHBondContact O-N 3.15Å; S145-T149 PolarHBondContact O-OG1 3.23Å; G146-T149 PolarHBondContact O-OG1 3.16Å; M147-T149 PolarHBondContact O-N 3.43Å; T149-L151 VanDerWaalsContact C-N 3.34Å; T149-I152 PolarHBondContact O-N 3.22Å; T149-S153 PolarHBondContact O-N 2.89Å; T149-Q191 HydrophobicContact CG2-CB 4Å
150	L	98.2	Very high	96.7	Very high	15 Å²	15	24 Å²	24	8%	0.079	13%	0.125	C	C	.	.	H	α-helix	trans	-58.7	-47.7	169.2	178.5	63.6	0	0	0	111	H105 V113 G146 M147 I152 S153 K154	H105-L150 WeakPolarHBondContact O-CD2 3.48Å; V113-L150 HydrophobicContact CB-CD2 3.94Å; V113-L150 HydrophobicContact CG1-CD2 4.34Å; V113-L150 HydrophobicContact CG2-CD2 3.96Å; V113-L150 HydrophobicContact CG2-CG 4.03Å; G146-L150 WeakPolarHBondContact O-CB 3.1Å; G146-L150 PolarHBondContact O-N 3.12Å; M147-L150 PolarHBondContact O-N 3.09Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.98Å; L150-S153 PolarHBondContact O-N 3.45Å; L150-K154 HydrophobicContact CD1-CG 4.36Å; L150-K154 WeakPolarHBondContact O-CG 3.3Å; L150-K154 PolarHBondContact O-N 3.2Å
151	L	98.3	Very high	96.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-42.7	176.9	-73.6	170	0	0	0	111.6	V66 V113 V116 M147 G148 T149 S153 K154 I155	V66-L151 HydrophobicContact CG1-CD1 4.39Å; V113-L151 HydrophobicContact CG2-CD2 3.78Å; V116-L151 HydrophobicContact CB-CD2 3.77Å; V116-L151 HydrophobicContact CG1-CD1 4.06Å; V116-L151 HydrophobicContact CG1-CD2 3.53Å; V116-L151 HydrophobicContact CG1-CG 4.47Å; V116-L151 HydrophobicContact CG2-CD2 4.45Å; M147-L151 HydrophobicContact CE-CD1 4.33Å; M147-L151 HydrophobicContact CG-CD1 4.32Å; M147-L151 HydrophobicContact CG-CG 4.49Å; M147-L151 WeakPolarHBondContact O-CB 3.35Å; M147-L151 VanDerWaalsContact O-CG 3.31Å; M147-L151 WeakPolarHBondContact O-CG 3.28Å; M147-L151 PolarHBondContact O-N 2.84Å; G148-L151 PolarHBondContact O-N 2.72Å; T149-L151 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.87Å; L151-K154 PolarHBondContact O-N 3.22Å; L151-I155 WeakPolarHBondContact O-CB 3.38Å; L151-I155 WeakPolarHBondContact O-CD1 3.5Å; L151-I155 WeakPolarHBondContact O-CG1 3.47Å; L151-I155 PolarHBondContact O-N 2.98Å
152	I	98.5	Very high	97.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-56.5	-50	176	-73.5	166.9	0	0	0	110.8	L135 G148 T149 L150 I155 R156 M164 T166 L192 N195 T196	L135-I152 HydrophobicContact CD1-CD1 4.34Å; L135-I152 HydrophobicContact CD1-CG1 3.9Å; L135-I152 HydrophobicContact CD2-CD1 4.14Å; G148-I152 WeakPolarHBondContact O-CG1 3.41Å; G148-I152 PolarHBondContact O-N 3.32Å; T149-I152 PolarHBondContact O-N 3.22Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.98Å; I152-I155 PolarHBondContact O-N 3.33Å; I152-R156 WeakPolarHBondContact O-CB 3.26Å; I152-R156 PolarHBondContact O-N 2.89Å; I152-M164 HydrophobicContact CG1-SD 4.2Å; I152-M164 HydrophobicContact CG2-CG 4.09Å; I152-T166 HydrophobicContact CD1-CG2 3.77Å; I152-L192 HydrophobicContact CD1-CD2 3.7Å; I152-N195 HydrophobicContact CG2-CB 3.43Å; I152-N195 VanDerWaalsContact CG2-CB 3.43Å; I152-T196 HydrophobicContact CD1-CG2 4.24Å; I152-T196 HydrophobicContact CG2-CG2 3.83Å
153	S	98	Very high	97.4	Very high	22 Å²	22	33 Å²	33	15%	0.154	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-46.2	179.8	175.6	0	0	0	0	111.6	T149 L150 L151 I155 R156 E157	T149-S153 PolarHBondContact O-N 2.89Å; L150-S153 PolarHBondContact O-N 3.45Å; L151-S153 PolarHBondContact O-N 2.87Å; S153-I155 PolarHBondContact O-N 3.1Å; S153-R156 WeakPolarHBondContact O-CB 3.45Å; S153-R156 PolarHBondContact O-N 3.16Å; S153-E157 WeakPolarHBondContact O-CG 3.44Å; S153-E157 PolarHBondContact O-N 2.97Å
154	K	98.3	Very high	97.5	Very high	65 Å²	65	32.4 Å²	32.4	28%	0.283	16%	0.157	S	C	.	.	H	α-helix	trans	-65.9	-38.6	178.2	-66.5	-56.5	178.5	-160.8	0	114.2	V113 L117 L150 L151 R156 E157 E158	V113-K154 HydrophobicContact CG2-CG 4.22Å; L117-K154 HydrophobicContact CD1-CB 3.82Å; L117-K154 HydrophobicContact CD1-CG 4.23Å; L117-K154 HydrophobicContact CD2-CB 3.93Å; L117-K154 HydrophobicContact CG-CB 4.43Å; L150-K154 HydrophobicContact CD1-CG 4.36Å; L150-K154 WeakPolarHBondContact O-CG 3.3Å; L150-K154 PolarHBondContact O-N 3.2Å; L151-K154 PolarHBondContact O-N 3.22Å; K154-R156 VanDerWaalsContact C-N 3.33Å; K154-E157 WeakPolarHBondContact CD-OE2 3.36Å; K154-E157 IonicContact NZ-OE1 2.9Å; K154-E157 PolarHBondContact NZ-OE1 3.3Å; K154-E157 IonicContact NZ-OE2 2.73Å; K154-E157 PolarHBondContact NZ-OE2 3.21Å; K154-E157 WeakPolarHBondContact O-CB 3.45Å; K154-E157 PolarHBondContact O-N 3.12Å; K154-E158 PolarHBondContact O-N 2.82Å; K154-E158 VanDerWaalsContact O-N 3.07Å
155	I	98.4	Very high	97.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-68.5	-36.7	174.9	-66.2	168.3	0	0	0	110.4	I7 L117 V120 F133 L151 I152 S153 E157 E158 Y159 M164	I7-I155 HydrophobicContact CD1-CD1 3.34Å; L117-I155 HydrophobicContact CD2-CG1 3.92Å; V120-I155 HydrophobicContact CG1-CD1 4.21Å; V120-I155 HydrophobicContact CG1-CG1 4.2Å; V120-I155 HydrophobicContact CG2-CD1 4.18Å; F133-I155 HydrophobicContact CD1-CG2 4.14Å; F133-I155 HydrophobicContact CD2-CG2 3.32Å; F133-I155 HydrophobicContact CE1-CG2 4.19Å; F133-I155 HydrophobicContact CE2-CG2 3.35Å; F133-I155 HydrophobicContact CG-CG2 3.73Å; F133-I155 HydrophobicContact CZ-CG2 3.79Å; L151-I155 WeakPolarHBondContact O-CB 3.38Å; L151-I155 WeakPolarHBondContact O-CD1 3.5Å; L151-I155 WeakPolarHBondContact O-CG1 3.47Å; L151-I155 PolarHBondContact O-N 2.98Å; I152-I155 PolarHBondContact O-N 3.33Å; S153-I155 PolarHBondContact O-N 3.1Å; I155-E157 VanDerWaalsContact C-N 3.34Å; I155-E158 PolarHBondContact O-N 3.29Å; I155-Y159 HydrophobicContact CG2-CD2 4.01Å; I155-Y159 WeakPolarHBondContact O-CA 3.34Å; I155-Y159 WeakPolarHBondContact O-CB 3.36Å; I155-Y159 PolarHBondContact O-N 3.08Å; I155-M164 HydrophobicContact CB-CE 3.65Å; I155-M164 HydrophobicContact CD1-CE 4.33Å; I155-M164 HydrophobicContact CG2-CE 3.36Å
156	R	97.6	Very high	97.7	Very high	44 Å²	44	32.2 Å²	32.2	17%	0.166	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-40.2	174	178.4	60.1	65.8	178.8	9.7	111.8	I152 S153 K154 Y159 P160 R162 M164 N195 D197	I152-R156 WeakPolarHBondContact O-CB 3.26Å; I152-R156 PolarHBondContact O-N 2.89Å; S153-R156 WeakPolarHBondContact O-CB 3.45Å; S153-R156 PolarHBondContact O-N 3.16Å; K154-R156 VanDerWaalsContact C-N 3.33Å; R156-Y159 CarbonylContact O-C 3.48Å; R156-P160 PolarHBondContact NH1-O 2.74Å; R156-P160 VanDerWaalsContact O-CA 3.3Å; R156-P160 WeakPolarHBondContact O-CA 3.23Å; R156-R162 PolarHBondContact NH1-O 2.82Å; R156-M164 VanDerWaalsContact NH2-CB 3.28Å; R156-N195 HydrophobicContact CB-CB 4.4Å; R156-N195 PolarHBondContact NE-O 2.91Å; R156-N195 PolarHBondContact NH2-O 2.67Å; R156-D197 IonicContact CZ-OD1 3.5Å; R156-D197 IonicContact CZ-OD2 2.91Å; R156-D197 IonicContact NH1-OD1 3.39Å; R156-D197 IonicContact NH1-OD2 2.72Å; R156-D197 PolarHBondContact NH1-OD2 3.26Å; R156-D197 IonicContact NH2-OD1 3.13Å; R156-D197 PolarHBondContact NH2-OD1 3.38Å; R156-D197 IonicContact NH2-OD2 3.2Å; R156-D197 PolarHBondContact NH2-OD2 3.17Å
157	E	97.5	Very high	97.7	Very high	119 Å²	119	32.2 Å²	32.2	56%	0.556	16%	0.156	S	C	*	.	H	α-helix	trans	-61.2	-45.6	174	-71.8	172.5	-161.3	0	0	111.8	S153 K154 I155	S153-E157 WeakPolarHBondContact O-CG 3.44Å; S153-E157 PolarHBondContact O-N 2.97Å; K154-E157 WeakPolarHBondContact CD-OE2 3.36Å; K154-E157 IonicContact NZ-OE1 2.9Å; K154-E157 PolarHBondContact NZ-OE1 3.3Å; K154-E157 IonicContact NZ-OE2 2.73Å; K154-E157 PolarHBondContact NZ-OE2 3.21Å; K154-E157 WeakPolarHBondContact O-CB 3.45Å; K154-E157 PolarHBondContact O-N 3.12Å; I155-E157 VanDerWaalsContact C-N 3.34Å
158	E	97.8	Very high	97.7	Very high	78 Å²	78	32.2 Å²	32.2	36%	0.364	16%	0.156	S	C	.	.	H	α-helix	trans	-78.3	-30.4	-178.5	-71.7	-166.2	-151.4	0	0	113.7	R121 K154 I155 P160	R121-E158 IonicContact CZ-OE2 2.88Å; R121-E158 IonicContact NE-OE2 2.77Å; R121-E158 PolarHBondContact NE-OE2 3.09Å; R121-E158 VanDerWaalsContact NH2-CD 3.31Å; R121-E158 IonicContact NH2-OE1 2.8Å; R121-E158 PolarHBondContact NH2-OE1 2.9Å; R121-E158 IonicContact NH2-OE2 3.95Å; R121-E158 PolarHBondContact NH2-OE2 3.39Å; K154-E158 PolarHBondContact O-N 2.82Å; K154-E158 VanDerWaalsContact O-N 3.07Å; I155-E158 PolarHBondContact O-N 3.29Å; E158-P160 VanDerWaalsContact C-CD 3.48Å
159	Y	97.9	Very high	97.7	Very high	44 Å²	44	32.3 Å²	32.3	17%	0.173	16%	0.156	C	C	.	.			trans	-131.3	58.3	-173.8	-57	-85	0	0	0	112.6	V120 A124 L130 F133 I155 R156 D161 R162	V120-Y159 HydrophobicContact CG1-CE2 4.37Å; A124-Y159 HydrophobicContact CB-CE1 4.1Å; L130-Y159 HydrophobicContact CD2-CD1 4.3Å; L130-Y159 HydrophobicContact CD2-CE1 4.45Å; F133-Y159 HydrophobicContact CE2-CD1 4.38Å; F133-Y159 AromaticContact CE2-CD2 3.77Å; F133-Y159 HydrophobicContact CE2-CD2 3.77Å; F133-Y159 HydrophobicContact CE2-CE2 4.49Å; F133-Y159 AromaticContact CE2-CG 3.7Å; F133-Y159 HydrophobicContact CE2-CG 3.7Å; F133-Y159 HydrophobicContact CZ-CD1 4.24Å; F133-Y159 AromaticContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CD2 3.58Å; F133-Y159 HydrophobicContact CZ-CE1 4.47Å; F133-Y159 AromaticContact CZ-CE2 3.85Å; F133-Y159 HydrophobicContact CZ-CE2 3.85Å; F133-Y159 AromaticContact CZ-CG 3.79Å; F133-Y159 HydrophobicContact CZ-CG 3.79Å; I155-Y159 HydrophobicContact CG2-CD2 4.01Å; I155-Y159 WeakPolarHBondContact O-CA 3.34Å; I155-Y159 WeakPolarHBondContact O-CB 3.36Å; I155-Y159 PolarHBondContact O-N 3.08Å; R156-Y159 CarbonylContact O-C 3.48Å; Y159-D161 PolarHBondContact O-N 2.94Å; Y159-R162 PolarHBondContact O-N 3.31Å
160	P	96.8	Very high	97.4	Very high	75 Å²	75	32.4 Å²	32.4	49%	0.487	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-33.6	-174	23.9	-34.6	0	0	0	113	R156 E158 R162	R156-P160 PolarHBondContact NH1-O 2.74Å; R156-P160 VanDerWaalsContact O-CA 3.3Å; R156-P160 WeakPolarHBondContact O-CA 3.23Å; E158-P160 VanDerWaalsContact C-CD 3.48Å; P160-R162 VanDerWaalsContact C-N 3.25Å; P160-R162 PolarHBondContact O-N 2.84Å
161	D	95.5	Very high	96.8	Very high	116 Å²	116	32.1 Å²	32.1	62%	0.62	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	15.3	-180	-60	-41.4	0	0	0	113.9	Y159 R251	Y159-D161 PolarHBondContact O-N 2.94Å; D161-R251 PolarHBondContact O-NH2 3.07Å
162	R	96.9	Very high	95.7	Very high	91 Å²	91	32.1 Å²	32.1	34%	0.343	16%	0.156	S	C	.	.	S	Bend	trans	-117.1	146.5	179.5	-63.9	-61	177.8	-77.5	-6.2	110.6	L130 F133 R156 Y159 P160 M164	L130-R162 HydrophobicContact CD2-CG 4.1Å; L130-R162 HydrophobicContact CG-CG 4.45Å; L130-R162 WeakPolarHBondContact O-CD 3.48Å; L130-R162 PolarHBondContact O-NE 3.18Å; F133-R162 HydrophobicContact CD2-CB 4.44Å; F133-R162 HydrophobicContact CE2-CB 4.17Å; R156-R162 PolarHBondContact NH1-O 2.82Å; Y159-R162 PolarHBondContact O-N 3.31Å; P160-R162 VanDerWaalsContact C-N 3.25Å; P160-R162 PolarHBondContact O-N 2.84Å; R162-M164 PolarHBondContact O-N 3.32Å
163	I	97.1	Very high	94.3	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.2	-180	-63.7	-63.5	0	0	0	109.4	Q131 G132 F133 N165 D197 L250 R251 A254	Q131-I163 PolarHBondContact O-N 3.49Å; Q131-I163 VanDerWaalsContact O-N 3.15Å; G132-I163 CarbonylContact C-O 3.57Å; G132-I163 WeakPolarHBondContact CA-O 3.47Å; F133-I163 PolarHBondContact N-O 3.13Å; I163-N165 HydrophobicContact CG2-CB 4.48Å; I163-D197 VanDerWaalsContact CA-OD2 3.26Å; I163-D197 WeakPolarHBondContact CA-OD2 3.47Å; I163-D197 HydrophobicContact CD1-CB 4.11Å; I163-D197 HydrophobicContact CG2-CB 4.17Å; I163-L250 HydrophobicContact CB-CB 4.13Å; I163-L250 HydrophobicContact CG1-CB 4.21Å; I163-L250 HydrophobicContact CG2-CB 3.91Å; I163-L250 HydrophobicContact CG2-CD1 4.29Å; I163-R251 HydrophobicContact CD1-CB 4.05Å; I163-R251 HydrophobicContact CD1-CG 4.36Å; I163-R251 HydrophobicContact CG1-CB 3.9Å; I163-A254 HydrophobicContact CD1-CB 4.32Å
164	M	98.2	Very high	93	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	104.5	168.1	-178.2	61.2	68.2	0	0	108.9	F133 I152 I155 R156 R162 T166 T196 D197 E198	F133-M164 HydrophobicContact CB-CE 3.89Å; F133-M164 HydrophobicContact CB-SD 3.91Å; F133-M164 HydrophobicContact CD2-CE 4.2Å; F133-M164 HydrophobicContact CG-CE 4.28Å; I152-M164 HydrophobicContact CG1-SD 4.2Å; I152-M164 HydrophobicContact CG2-CG 4.09Å; I155-M164 HydrophobicContact CB-CE 3.65Å; I155-M164 HydrophobicContact CD1-CE 4.33Å; I155-M164 HydrophobicContact CG2-CE 3.36Å; R156-M164 VanDerWaalsContact NH2-CB 3.28Å; R162-M164 PolarHBondContact O-N 3.32Å; M164-T166 HydrophobicContact CG-CG2 4.48Å; M164-T196 HydrophobicContact CG-CG2 3.88Å; M164-D197 PolarHBondContact N-OD2 2.68Å; M164-D197 PolarHBondContact O-N 2.84Å; M164-E198 PolarHBondContact O-N 2.74Å
165	N	97.1	Very high	91.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.4	176.1	173	11.3	0	0	0	109.5	F133 Q134 L135 I163 E198 Y200 L250	F133-N165 PolarHBondContact O-N 3.4Å; Q134-N165 CarbonylContact C-O 3.45Å; Q134-N165 VanDerWaalsContact CA-O 3.26Å; Q134-N165 WeakPolarHBondContact CA-O 3.35Å; Q134-N165 PolarHBondContact NE2-ND2 3.13Å; L135-N165 PolarHBondContact N-O 3.45Å; I163-N165 HydrophobicContact CG2-CB 4.48Å; N165-E198 CarbonylContact C-O 3.52Å; N165-E198 WeakPolarHBondContact CA-O 3.19Å; N165-E198 HydrophobicContact CB-CB 4.28Å; N165-E198 PolarHBondContact OD1-O 2.74Å; N165-Y200 WeakPolarHBondContact OD1-CD2 3.33Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.3Å; N165-L250 HydrophobicContact CB-CD2 4.48Å
166	T	98.4	Very high	90.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.2	175.2	76.6	0	0	0	0	113.4	L135 I152 M164 S168 L192 T196 E198 T199 Y200	L135-T166 HydrophobicContact CB-CG2 4.37Å; L135-T166 CarbonylContact O-C 3.15Å; L135-T166 WeakPolarHBondContact O-CA 3.35Å; I152-T166 HydrophobicContact CD1-CG2 3.77Å; M164-T166 HydrophobicContact CG-CG2 4.48Å; T166-S168 PolarHBondContact OG1-OG 2.8Å; T166-L192 HydrophobicContact CG2-CD2 4.03Å; T166-T196 HydrophobicContact CG2-CG2 3.6Å; T166-E198 PolarHBondContact N-O 3.1Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.23Å; T166-T199 PolarHBondContact OG1-OG1 3.33Å; T166-T199 VanDerWaalsContact OG1-OG1 3.09Å; T166-Y200 WeakPolarHBondContact O-CD2 3.32Å; T166-Y200 PolarHBondContact O-N 2.78Å
167	F	98.3	Very high	89.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	101.4	161.2	-70.7	-82.7	0	0	0	107.9	Q134 L135 T136 H137 Y200 I202 M233 V236	Q134-F167 HydrophobicContact CG-CD2 4.02Å; Q134-F167 HydrophobicContact CG-CE2 3.93Å; L135-F167 PolarHBondContact O-N 3.47Å; T136-F167 HydrophobicContact CG2-CB 4.25Å; H137-F167 PolarHBondContact N-O 2.95Å; H137-F167 VanDerWaalsContact N-O 3.14Å; F167-Y200 HydrophobicContact CD1-CD2 4.25Å; F167-Y200 AromaticContact CD1-CG 3.94Å; F167-Y200 HydrophobicContact CD1-CG 3.94Å; F167-Y200 HydrophobicContact CE1-CD1 4.06Å; F167-Y200 AromaticContact CE1-CD2 3.88Å; F167-Y200 HydrophobicContact CE1-CD2 3.88Å; F167-Y200 AromaticContact CE1-CG 3.6Å; F167-Y200 HydrophobicContact CE1-CG 3.6Å; F167-Y200 HydrophobicContact CE2-CD2 4.49Å; F167-Y200 HydrophobicContact CZ-CD2 4.01Å; F167-Y200 HydrophobicContact CZ-CE2 4.37Å; F167-Y200 HydrophobicContact CZ-CG 4.18Å; F167-I202 HydrophobicContact CB-CD1 3.94Å; F167-I202 HydrophobicContact CD1-CD1 3.94Å; F167-I202 HydrophobicContact CG-CD1 4.43Å; F167-M233 HydrophobicContact CD1-CG 3.6Å; F167-M233 HydrophobicContact CD2-CE 3.84Å; F167-M233 HydrophobicContact CD2-CG 3.84Å; F167-M233 HydrophobicContact CD2-SD 4.35Å; F167-M233 HydrophobicContact CE1-CB 4.28Å; F167-M233 HydrophobicContact CE1-CG 3.59Å; F167-M233 HydrophobicContact CE2-CB 4.26Å; F167-M233 HydrophobicContact CE2-CE 4.23Å; F167-M233 HydrophobicContact CE2-CG 3.82Å; F167-M233 HydrophobicContact CG-CE 4.29Å; F167-M233 HydrophobicContact CG-CG 3.72Å; F167-M233 HydrophobicContact CG-SD 4.25Å; F167-M233 HydrophobicContact CZ-CB 4.04Å; F167-M233 HydrophobicContact CZ-CG 3.7Å; F167-V236 HydrophobicContact CE1-CG2 4.35Å; F167-V236 HydrophobicContact CZ-CB 4.23Å; F167-V236 HydrophobicContact CZ-CG1 4.26Å; F167-V236 HydrophobicContact CZ-CG2 4.28Å
168	S	98	Very high	88.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	107.3	-166.7	-72	0	0	0	0	110.7	H137 T166 V170 Y200 I202	H137-S168 PolarHBondContact CD2-OG 2.61Å; H137-S168 PolarHBondContact NE2-OG 3.16Å; T166-S168 PolarHBondContact OG1-OG 2.8Å; S168-V170 PolarHBondContact O-N 2.97Å; S168-Y200 PolarHBondContact N-O 2.76Å; S168-I202 PolarHBondContact O-N 2.76Å
169	V	96	Very high	88.2	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	108.8	176.3	-177.9	0	0	0	0	110	I16 H137 S138 L139 I202 N204	I16-V169 HydrophobicContact CD1-CG2 3.49Å; I16-V169 VanDerWaalsContact CD1-CG2 3.49Å; H137-V169 PolarHBondContact O-N 3.37Å; S138-V169 WeakPolarHBondContact CA-O 3.47Å; L139-V169 PolarHBondContact N-O 3.26Å; V169-I202 CarbonylContact C-O 3.59Å; V169-I202 VanDerWaalsContact CA-O 3.22Å; V169-I202 WeakPolarHBondContact CA-O 3.38Å; V169-I202 HydrophobicContact CG2-CB 4.33Å; V169-I202 HydrophobicContact CG2-CG2 4.26Å; V169-N204 WeakPolarHBondContact CG1-ND2 3.26Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.12Å
170	V	92.9	Very high	88	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.5	179.4	-173.9	0	0	0	0	109.3	L139 S168 C201 I202 L377 V381	L139-V170 HydrophobicContact CD1-CG2 4.05Å; S168-V170 PolarHBondContact O-N 2.97Å; V170-C201 HydrophobicContact CG2-CB 4.3Å; V170-I202 PolarHBondContact N-O 2.87Å; V170-L377 HydrophobicContact CB-CD1 4.22Å; V170-L377 HydrophobicContact CG1-CD1 4.02Å; V170-L377 HydrophobicContact CG1-CD2 3.75Å; V170-L377 HydrophobicContact CG1-CG 3.96Å; V170-L377 HydrophobicContact CG2-CD1 3.95Å; V170-L377 HydrophobicContact CG2-CD2 4.16Å; V170-V381 HydrophobicContact CG1-CG2 4.46Å
171	P	85.4	Confident	87.8	Confident	10 Å²	10	39.8 Å²	39.8	7%	0.065	21%	0.21	C	C	.	.			trans	-65.6	155.6	177.1	25.9	-34.3	0	0	0	113.1	E181 A185	P171-E181 HydrophobicContact CB-CB 3.75Å; P171-E181 VanDerWaalsContact CB-CD 3.46Å; P171-E181 HydrophobicContact CB-CG 4.05Å; P171-E181 WeakPolarHBondContact CB-OE2 3.35Å; P171-E181 HydrophobicContact CG-CB 4.09Å; P171-A185 HydrophobicContact CG-CB 3.67Å
172	S	75.4	Confident	87.7	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.007	18%	0.184	C	C	.	.			trans	-134.1	130.2	167	169.2	0	0	0	0	110.7	K174 V175 S176 E205	S172-K174 PolarHBondContact O-N 3.01Å; S172-K174 VanDerWaalsContact O-N 3.11Å; S172-K174 PolarHBondContact OG-N 3.14Å; S172-V175 PolarHBondContact O-N 3.13Å; S172-V175 VanDerWaalsContact O-N 3.16Å; S172-S176 PolarHBondContact O-N 3.18Å; S172-S176 VanDerWaalsContact O-N 3.11Å; S172-E205 WeakPolarHBondContact OG-CB 3.45Å; S172-E205 PolarHBondContact OG-OE2 3.11Å
173	P	68.4	Low	87.7	Confident	69 Å²	69	30.5 Å²	30.5	45%	0.448	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20	178.2	-15.6	24.9	0	0	0	114.4
174	K	70.7	Confident	87.7	Confident	166 Å²	166	30.3 Å²	30.3	72%	0.722	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-17.6	-177.9	-65.5	-173.9	-168.8	157.7	0	112.8	S172 E205	S172-K174 PolarHBondContact O-N 3.01Å; S172-K174 VanDerWaalsContact O-N 3.11Å; S172-K174 PolarHBondContact OG-N 3.14Å; K174-E205 WeakPolarHBondContact CD-OE1 3.2Å; K174-E205 WeakPolarHBondContact CE-OE1 3.45Å; K174-E205 IonicContact NZ-OE1 3.88Å; K174-E205 PolarHBondContact NZ-OE1 3.03Å
175	V	68.7	Low	87.6	Confident	43 Å²	43	30.3 Å²	30.3	26%	0.261	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-27.8	-170.9	-172.4	0	0	0	0	111.9	S172	S172-V175 PolarHBondContact O-N 3.13Å; S172-V175 VanDerWaalsContact O-N 3.16Å
176	S	73.7	Confident	87.6	Confident	32 Å²	32	30.3 Å²	30.3	22%	0.224	17%	0.167	C	C	.	.			trans	-102	143.2	-177.3	-167.4	0	0	0	0	113.8	S172 T178 E181	S172-S176 PolarHBondContact O-N 3.18Å; S172-S176 VanDerWaalsContact O-N 3.11Å; S176-T178 PolarHBondContact OG-N 3.2Å; S176-E181 WeakPolarHBondContact CB-OE1 3.48Å; S176-E181 WeakPolarHBondContact CB-OE2 3.42Å; S176-E181 PolarHBondContact OG-OE1 2.8Å; S176-E181 PolarHBondContact OG-OE2 2.91Å
177	D	74.8	Confident	87.6	Confident	162 Å²	162	30.5 Å²	30.5	87%	0.866	17%	0.168	S	C	*	.			trans	-89.7	-4.6	173.6	-66.1	-42.4	0	0	0	112.7	V179	D177-V179 PolarHBondContact O-N 2.81Å
178	T	83.6	Confident	87.6	Confident	32 Å²	32	30.5 Å²	30.5	20%	0.196	17%	0.168	C	C	.	.			trans	-81.3	113.8	-174.5	-62	0	0	0	0	110.9	N99 S176 V180 E181	N99-T178 HydrophobicContact CB-CG2 3.62Å; N99-T178 PolarHBondContact ND2-OG1 3.08Å; S176-T178 PolarHBondContact OG-N 3.2Å; T178-V180 VanDerWaalsContact C-N 3.33Å; T178-V180 HydrophobicContact CG2-CG2 4.07Å; T178-V180 PolarHBondContact O-N 3.4Å; T178-E181 HydrophobicContact CG2-CG 3.66Å; T178-E181 WeakPolarHBondContact O-CG 3.42Å
179	V	87.8	Confident	87.6	Confident	82 Å²	82	30.7 Å²	30.7	50%	0.497	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.9	-174.2	-60.7	0	0	0	0	115	D177 M388 F394	D177-V179 PolarHBondContact O-N 2.81Å; V179-M388 WeakPolarHBondContact O-CE 3.14Å; V179-F394 HydrophobicContact CB-CE2 4.29Å; V179-F394 HydrophobicContact CB-CZ 4.48Å; V179-F394 HydrophobicContact CG2-CD2 4.35Å; V179-F394 HydrophobicContact CG2-CE1 4.22Å; V179-F394 HydrophobicContact CG2-CE2 3.84Å; V179-F394 HydrophobicContact CG2-CZ 3.77Å
180	V	93.7	Very high	87.7	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.024	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.1	-175.6	-58.2	0	0	0	0	114.2	N99 T178 P182 Y183 N184 F394 W397 Y398	N99-V180 WeakPolarHBondContact O-CG2 3.23Å; T178-V180 VanDerWaalsContact C-N 3.33Å; T178-V180 HydrophobicContact CG2-CG2 4.07Å; T178-V180 PolarHBondContact O-N 3.4Å; V180-P182 VanDerWaalsContact C-N 3.31Å; V180-Y183 PolarHBondContact O-N 2.7Å; V180-Y183 VanDerWaalsContact O-N 3.13Å; V180-N184 PolarHBondContact O-N 2.83Å; V180-F394 HydrophobicContact CG1-CB 3.83Å; V180-F394 HydrophobicContact CG1-CD2 4.16Å; V180-F394 HydrophobicContact CG1-CG 3.95Å; V180-W397 HydrophobicContact CG1-CE3 4.19Å; V180-W397 HydrophobicContact CG1-CZ3 4.33Å; V180-Y398 HydrophobicContact CB-CE2 4.27Å; V180-Y398 VanDerWaalsContact CB-OH 3.3Å; V180-Y398 WeakPolarHBondContact CB-OH 3.35Å; V180-Y398 HydrophobicContact CG1-CE2 4.37Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.49Å; V180-Y398 PolarHBondContact O-OH 2.95Å
181	E	93.3	Very high	87.9	Confident	20 Å²	20	34.2 Å²	34.2	9%	0.093	19%	0.185	C	C	.	.	H	α-helix	trans	-53	-38.2	178.9	-71.5	-173.3	152.4	0	0	114.9	P171 S176 T178 Y183 N184 A185	P171-E181 HydrophobicContact CB-CB 3.75Å; P171-E181 VanDerWaalsContact CB-CD 3.46Å; P171-E181 HydrophobicContact CB-CG 4.05Å; P171-E181 WeakPolarHBondContact CB-OE2 3.35Å; P171-E181 HydrophobicContact CG-CB 4.09Å; S176-E181 WeakPolarHBondContact CB-OE1 3.48Å; S176-E181 WeakPolarHBondContact CB-OE2 3.42Å; S176-E181 PolarHBondContact OG-OE1 2.8Å; S176-E181 PolarHBondContact OG-OE2 2.91Å; T178-E181 HydrophobicContact CG2-CG 3.66Å; T178-E181 WeakPolarHBondContact O-CG 3.42Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 2.89Å; E181-N184 PolarHBondContact O-N 3.49Å; E181-A185 WeakPolarHBondContact O-CB 3.49Å; E181-A185 PolarHBondContact O-N 3.18Å
182	P	94.4	Very high	88.5	Confident	11 Å²	11	33.8 Å²	33.8	7%	0.071	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-36.4	179.3	-26.5	37.2	0	0	0	113.2	V180 T186 Q384 F385 M388	V180-P182 VanDerWaalsContact C-N 3.31Å; P182-T186 WeakPolarHBondContact O-CB 3.43Å; P182-T186 PolarHBondContact O-N 2.84Å; P182-T186 PolarHBondContact O-OG1 3.29Å; P182-Q384 HydrophobicContact CB-CB 3.83Å; P182-Q384 HydrophobicContact CG-CB 3.68Å; P182-F385 HydrophobicContact CB-CB 4.35Å; P182-M388 HydrophobicContact CB-SD 4.11Å; P182-M388 HydrophobicContact CG-SD 3.77Å
183	Y	96.8	Very high	89.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-49.8	173.4	-67.9	-31.7	0	0	0	111.2	V180 E181 A185 T186 L187 F385 M388 F389 A393 L395 Y398 F408	V180-Y183 PolarHBondContact O-N 2.7Å; V180-Y183 VanDerWaalsContact O-N 3.13Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 2.89Å; Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 3.44Å; Y183-T186 PolarHBondContact O-N 3.17Å; Y183-L187 WeakPolarHBondContact O-CB 3.45Å; Y183-L187 VanDerWaalsContact O-CG 3.27Å; Y183-L187 WeakPolarHBondContact O-CG 3.44Å; Y183-L187 PolarHBondContact O-N 3.09Å; Y183-F385 AromaticContact CD1-CD2 3.46Å; Y183-F385 HydrophobicContact CD1-CD2 3.46Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.46Å; Y183-F385 AromaticContact CD1-CE2 3.49Å; Y183-F385 HydrophobicContact CD1-CE2 3.49Å; Y183-F385 VanDerWaalsContact CD1-CE2 3.49Å; Y183-F385 HydrophobicContact CD1-CG 4.32Å; Y183-F385 HydrophobicContact CD1-CZ 4.35Å; Y183-F385 HydrophobicContact CE1-CD2 4.04Å; Y183-F385 HydrophobicContact CE1-CE2 4.02Å; Y183-F385 HydrophobicContact CE1-CZ 4.48Å; Y183-M388 HydrophobicContact CD2-CE 4.16Å; Y183-M388 HydrophobicContact CE1-CB 3.99Å; Y183-M388 HydrophobicContact CE2-CB 4.48Å; Y183-M388 HydrophobicContact CE2-CE 3.84Å; Y183-M388 WeakPolarHBondContact OH-CB 3.44Å; Y183-M388 PolarHBondContact OH-O 3.13Å; Y183-F389 HydrophobicContact CE1-CB 4.12Å; Y183-F389 HydrophobicContact CE1-CD2 4.25Å; Y183-F389 WeakPolarHBondContact OH-CA 3.34Å; Y183-F389 PolarHBondContact OH-N 3.38Å; Y183-A393 WeakPolarHBondContact CE2-O 3.27Å; Y183-A393 PolarHBondContact OH-O 2.86Å; Y183-L395 HydrophobicContact CE1-CD2 4.15Å; Y183-L395 HydrophobicContact CE2-CD2 3.85Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.34Å; Y183-Y398 HydrophobicContact CD2-CD2 4.33Å; Y183-Y398 AromaticContact CD2-CE2 3.67Å; Y183-Y398 HydrophobicContact CD2-CE2 3.67Å; Y183-Y398 AromaticContact CD2-CZ 3.98Å; Y183-Y398 HydrophobicContact CE2-CE2 4.48Å; Y183-Y398 HydrophobicContact CG-CE2 4.44Å; Y183-F408 HydrophobicContact CD1-CD1 4.08Å; Y183-F408 AromaticContact CD1-CE1 3.87Å; Y183-F408 HydrophobicContact CD1-CE1 3.87Å; Y183-F408 HydrophobicContact CD2-CE1 4.24Å; Y183-F408 HydrophobicContact CE1-CD1 4.4Å; Y183-F408 HydrophobicContact CE1-CE1 4.33Å; Y183-F408 HydrophobicContact CG-CD1 4.49Å; Y183-F408 AromaticContact CG-CE1 3.84Å; Y183-F408 HydrophobicContact CG-CE1 3.84Å
184	N	96.7	Very high	90.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.7	-44.3	179.7	-65.4	-13.6	0	0	0	111.6	N99 W101 L139 G140 V180 E181 S188 Y398	N99-N184 PolarHBondContact O-ND2 2.93Å; W101-N184 HydrophobicContact CB-CB 4.16Å; W101-N184 WeakPolarHBondContact CB-OD1 3.29Å; W101-N184 PolarHBondContact N-OD1 3.16Å; L139-N184 CarbonylContact O-C 3.58Å; L139-N184 VanDerWaalsContact O-CB 3.27Å; L139-N184 WeakPolarHBondContact O-CB 3.02Å; G140-N184 PolarHBondContact O-ND2 2.75Å; V180-N184 PolarHBondContact O-N 2.83Å; E181-N184 PolarHBondContact O-N 3.49Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.38Å; N184-S188 PolarHBondContact O-N 3.06Å; N184-S188 PolarHBondContact O-OG 3.04Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.15Å; N184-Y398 PolarHBondContact OD1-OH 3.27Å
185	A	96	Very high	92.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-68.4	-43.1	-179.3	0	0	0	0	0	112.1	L139 P171 E181 Y183 S188 V189 V381	L139-A185 HydrophobicContact CB-CB 4.27Å; L139-A185 WeakPolarHBondContact O-CA 3.23Å; L139-A185 PolarHBondContact O-N 3.12Å; L139-A185 VanDerWaalsContact O-N 3.09Å; P171-A185 HydrophobicContact CG-CB 3.67Å; E181-A185 WeakPolarHBondContact O-CB 3.49Å; E181-A185 PolarHBondContact O-N 3.18Å; Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 3.44Å; A185-S188 PolarHBondContact O-N 2.96Å; A185-V189 WeakPolarHBondContact O-CB 3.5Å; A185-V189 VanDerWaalsContact O-CG2 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.16Å; A185-V189 PolarHBondContact O-N 2.82Å; A185-V381 HydrophobicContact CB-CG1 3.8Å; A185-V381 HydrophobicContact CB-CG2 4.45Å
186	T	97.1	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-47.7	178.2	-59.4	0	0	0	0	111.3	P182 Y183 S188 V189 H190 V381 F385 A411 M415	P182-T186 WeakPolarHBondContact O-CB 3.43Å; P182-T186 PolarHBondContact O-N 2.84Å; P182-T186 PolarHBondContact O-OG1 3.29Å; Y183-T186 PolarHBondContact O-N 3.17Å; T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 PolarHBondContact O-N 2.56Å; T186-V189 PolarHBondContact O-N 3.43Å; T186-H190 PolarHBondContact O-N 3.23Å; T186-V381 WeakPolarHBondContact OG1-CG1 3.47Å; T186-F385 VanDerWaalsContact CB-CD2 3.47Å; T186-F385 HydrophobicContact CG2-CD2 3.67Å; T186-F385 HydrophobicContact CG2-CE2 3.7Å; T186-F385 HydrophobicContact CG2-CG 4.22Å; T186-F385 HydrophobicContact CG2-CZ 4.32Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.16Å; T186-A411 HydrophobicContact CG2-CB 3.98Å; T186-M415 HydrophobicContact CG2-CE 3.65Å
187	L	98.1	Very high	94.7	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-35.9	177.4	-64.8	167.3	0	0	0	111.9	W101 Y183 Q191 Y398 M403 F408 A411	W101-L187 HydrophobicContact CB-CD1 4.33Å; W101-L187 HydrophobicContact CD2-CB 3.8Å; W101-L187 HydrophobicContact CD2-CD1 3.87Å; W101-L187 HydrophobicContact CD2-CG 4.45Å; W101-L187 HydrophobicContact CE3-CB 4.21Å; W101-L187 HydrophobicContact CE3-CD1 3.64Å; W101-L187 HydrophobicContact CE3-CG 4.43Å; W101-L187 HydrophobicContact CG-CB 4.08Å; W101-L187 HydrophobicContact CG-CD1 4.16Å; W101-L187 HydrophobicContact CZ2-CB 4.21Å; W101-L187 HydrophobicContact CZ3-CD1 4.26Å; Y183-L187 WeakPolarHBondContact O-CB 3.45Å; Y183-L187 VanDerWaalsContact O-CG 3.27Å; Y183-L187 WeakPolarHBondContact O-CG 3.44Å; Y183-L187 PolarHBondContact O-N 3.09Å; L187-Q191 PolarHBondContact O-N 3.07Å; L187-Y398 HydrophobicContact CD1-CD1 4.15Å; L187-Y398 HydrophobicContact CD1-CE1 4.06Å; L187-M403 HydrophobicContact CD1-CE 3.63Å; L187-M403 HydrophobicContact CD1-SD 4.02Å; L187-M403 HydrophobicContact CD2-CE 3.34Å; L187-M403 HydrophobicContact CG-CE 4.13Å; L187-F408 HydrophobicContact CD1-CE1 4.14Å; L187-F408 HydrophobicContact CD1-CZ 4.49Å; L187-A411 HydrophobicContact CD2-CB 3.77Å
188	S	98	Very high	95.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.1	-44	177.2	-55.5	0	0	0	0	112.5	S145 N184 A185 T186 H190 Q191 L192	S145-S188 VanDerWaalsContact CB-OG 3.24Å; S145-S188 WeakPolarHBondContact CB-OG 3.18Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.38Å; N184-S188 PolarHBondContact O-N 3.06Å; N184-S188 PolarHBondContact O-OG 3.04Å; A185-S188 PolarHBondContact O-N 2.96Å; T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 PolarHBondContact O-N 2.56Å; S188-H190 VanDerWaalsContact C-N 3.27Å; S188-H190 PolarHBondContact O-N 3Å; S188-Q191 PolarHBondContact O-N 2.94Å; S188-Q191 VanDerWaalsContact O-N 3.11Å; S188-L192 VanDerWaalsContact O-CG 3.25Å; S188-L192 WeakPolarHBondContact O-CG 3.49Å; S188-L192 PolarHBondContact O-N 3.21Å
189	V	97.7	Very high	96.5	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.024	10%	0.098	C	C	.	.	H	α-helix	trans	-58.7	-43.5	176.5	169.8	0	0	0	0	109.9	L139 A185 T186 Q191 L192 V193 F265 F378 L418	L139-V189 HydrophobicContact CD1-CG2 4.23Å; A185-V189 WeakPolarHBondContact O-CB 3.5Å; A185-V189 VanDerWaalsContact O-CG2 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.16Å; A185-V189 PolarHBondContact O-N 2.82Å; T186-V189 PolarHBondContact O-N 3.43Å; V189-Q191 VanDerWaalsContact C-N 3.29Å; V189-Q191 PolarHBondContact O-N 3.2Å; V189-L192 PolarHBondContact O-N 2.85Å; V189-V193 HydrophobicContact CG1-CG2 4.19Å; V189-V193 VanDerWaalsContact O-CG2 3.3Å; V189-V193 WeakPolarHBondContact O-CG2 3.46Å; V189-V193 PolarHBondContact O-N 3.41Å; V189-F265 HydrophobicContact CG1-CZ 4.4Å; V189-F378 HydrophobicContact CG1-CD1 4.18Å; V189-F378 HydrophobicContact CG1-CE1 4.04Å; V189-F378 HydrophobicContact CG2-CD1 4.31Å; V189-F378 HydrophobicContact CG2-CE1 4.1Å; V189-L418 HydrophobicContact CG1-CD2 4.33Å
190	H	97.8	Very high	97	Very high	41 Å²	41	15 Å²	15	19%	0.19	8%	0.075	C	C	.	.	H	α-helix	trans	-52.9	-46	174.3	174.2	86.8	0	0	0	112.2	T186 S188 A411 N414	T186-H190 PolarHBondContact O-N 3.23Å; S188-H190 VanDerWaalsContact C-N 3.27Å; S188-H190 PolarHBondContact O-N 3Å; H190-A411 HydrophobicContact CB-CB 3.72Å; H190-N414 WeakPolarHBondContact ND1-CB 3.45Å; H190-N414 PolarHBondContact ND1-ND2 2.85Å
191	Q	97.9	Very high	97.2	Very high	35 Å²	35	14.9 Å²	14.9	16%	0.164	8%	0.075	C	C	.	.	H	α-helix	trans	-70.1	-35.3	176.3	-66.3	-63.7	-38.1	0	0	113.3	W101 T149 L187 S188 V189 N195	W101-Q191 HydrophobicContact CZ2-CG 4.21Å; T149-Q191 HydrophobicContact CG2-CB 4Å; L187-Q191 PolarHBondContact O-N 3.07Å; S188-Q191 PolarHBondContact O-N 2.94Å; S188-Q191 VanDerWaalsContact O-N 3.11Å; V189-Q191 VanDerWaalsContact C-N 3.29Å; V189-Q191 PolarHBondContact O-N 3.2Å; Q191-N195 WeakPolarHBondContact O-CB 3.3Å; Q191-N195 PolarHBondContact O-N 2.9Å; Q191-N195 VanDerWaalsContact O-N 3.12Å; Q191-N195 PolarHBondContact O-ND2 2.73Å; Q191-N195 PolarHBondContact OE1-ND2 3.28Å
192	L	98.3	Very high	97.3	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-68.5	-39.9	-179.8	-69.6	170.3	0	0	0	112.2	L139 I152 T166 S188 V189 E194 N195 T196 T199 H264 F265	L139-L192 HydrophobicContact CD1-CD1 4.04Å; L139-L192 HydrophobicContact CD2-CD1 3.69Å; I152-L192 HydrophobicContact CD1-CD2 3.7Å; T166-L192 HydrophobicContact CG2-CD2 4.03Å; S188-L192 VanDerWaalsContact O-CG 3.25Å; S188-L192 WeakPolarHBondContact O-CG 3.49Å; S188-L192 PolarHBondContact O-N 3.21Å; V189-L192 PolarHBondContact O-N 2.85Å; L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 2.77Å; L192-N195 PolarHBondContact O-N 3.27Å; L192-T196 HydrophobicContact CB-CG2 4.43Å; L192-T196 HydrophobicContact CD2-CG2 3.5Å; L192-T196 PolarHBondContact O-N 3.08Å; L192-T196 VanDerWaalsContact O-N 3.13Å; L192-T196 PolarHBondContact O-OG1 3.35Å; L192-T199 HydrophobicContact CD1-CG2 4.29Å; L192-H264 PolarHBondContact O-CE1 3.32Å; L192-H264 PolarHBondContact O-NE2 3.12Å; L192-F265 HydrophobicContact CB-CE1 4.18Å; L192-F265 HydrophobicContact CB-CZ 4.19Å
193	V	97.8	Very high	97.3	Very high	8 Å²	8	13.5 Å²	13.5	5%	0.048	7%	0.067	C	C	.	.	H	α-helix	trans	-53.4	-47.5	177.3	171.2	0	0	0	0	110.3	V189 R262 H264 F265 L418	V189-V193 HydrophobicContact CG1-CG2 4.19Å; V189-V193 VanDerWaalsContact O-CG2 3.3Å; V189-V193 WeakPolarHBondContact O-CG2 3.46Å; V189-V193 PolarHBondContact O-N 3.41Å; V193-R262 HydrophobicContact CG1-CG 4.13Å; V193-H264 PolarHBondContact O-NE2 2.86Å; V193-F265 HydrophobicContact CG2-CE2 3.83Å; V193-F265 HydrophobicContact CG2-CZ 3.74Å; V193-L418 HydrophobicContact CG2-CD1 4.47Å; V193-L418 HydrophobicContact CG2-CD2 3.78Å
194	E	96	Very high	97	Very high	111 Å²	111	14.6 Å²	14.6	52%	0.519	7%	0.073	S	C	.	.	H	α-helix	trans	-82.3	-31.1	-173.7	-58.8	-56.6	145.2	0	0	114	L192 R262 N414	L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 2.77Å; E194-R262 IonicContact OE1-NH1 2.67Å; E194-R262 PolarHBondContact OE1-NH1 3.03Å; E194-N414 PolarHBondContact OE1-ND2 3.24Å
195	N	97.9	Very high	96.7	Very high	22 Å²	22	16 Å²	16	12%	0.118	8%	0.079	C	C	.	.	H	α-helix	trans	-114.4	-5.2	-164.4	-61.9	-78.9	0	0	0	115.1	I152 R156 Q191 L192	I152-N195 HydrophobicContact CG2-CB 3.43Å; I152-N195 VanDerWaalsContact CG2-CB 3.43Å; R156-N195 HydrophobicContact CB-CB 4.4Å; R156-N195 PolarHBondContact NE-O 2.91Å; R156-N195 PolarHBondContact NH2-O 2.67Å; Q191-N195 WeakPolarHBondContact O-CB 3.3Å; Q191-N195 PolarHBondContact O-N 2.9Å; Q191-N195 VanDerWaalsContact O-N 3.12Å; Q191-N195 PolarHBondContact O-ND2 2.73Å; Q191-N195 PolarHBondContact OE1-ND2 3.28Å; L192-N195 PolarHBondContact O-N 3.27Å
196	T	98	Very high	96.5	Very high	7 Å²	7	16.5 Å²	16.5	4%	0.043	8%	0.083	C	C	.	.			trans	-114	154.7	-179.4	67.7	0	0	0	0	112.7	I152 M164 T166 L192 T199 H264	I152-T196 HydrophobicContact CD1-CG2 4.24Å; I152-T196 HydrophobicContact CG2-CG2 3.83Å; M164-T196 HydrophobicContact CG-CG2 3.88Å; T166-T196 HydrophobicContact CG2-CG2 3.6Å; L192-T196 HydrophobicContact CB-CG2 4.43Å; L192-T196 HydrophobicContact CD2-CG2 3.5Å; L192-T196 PolarHBondContact O-N 3.08Å; L192-T196 VanDerWaalsContact O-N 3.13Å; L192-T196 PolarHBondContact O-OG1 3.35Å; T196-T199 PolarHBondContact OG1-OG1 3.21Å; T196-H264 PolarHBondContact O-CD2 3.31Å; T196-H264 PolarHBondContact O-NE2 3.24Å; T196-H264 VanDerWaalsContact O-NE2 3.15Å; T196-H264 PolarHBondContact OG1-CE1 3.04Å
197	D	97.9	Very high	96.4	Very high	44 Å²	44	16.6 Å²	16.6	24%	0.235	8%	0.084	C	C	.	.	S	Bend	trans	-107	-23.6	176	-49.9	-77.6	0	0	0	112.4	R156 I163 M164 H264	R156-D197 IonicContact CZ-OD1 3.5Å; R156-D197 IonicContact CZ-OD2 2.91Å; R156-D197 IonicContact NH1-OD1 3.39Å; R156-D197 IonicContact NH1-OD2 2.72Å; R156-D197 PolarHBondContact NH1-OD2 3.26Å; R156-D197 IonicContact NH2-OD1 3.13Å; R156-D197 PolarHBondContact NH2-OD1 3.38Å; R156-D197 IonicContact NH2-OD2 3.2Å; R156-D197 PolarHBondContact NH2-OD2 3.17Å; I163-D197 VanDerWaalsContact CA-OD2 3.26Å; I163-D197 WeakPolarHBondContact CA-OD2 3.47Å; I163-D197 HydrophobicContact CD1-CB 4.11Å; I163-D197 HydrophobicContact CG2-CB 4.17Å; M164-D197 PolarHBondContact N-OD2 2.68Å; M164-D197 PolarHBondContact O-N 2.84Å; D197-H264 VanDerWaalsContact O-CB 3.28Å; D197-H264 WeakPolarHBondContact O-CB 3.43Å
198	E	97.3	Very high	96.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	112.6	-179.6	-63.7	-176	-173.8	0	0	108.9	M164 N165 T166 Y200 A254 F266	M164-E198 PolarHBondContact O-N 2.74Å; N165-E198 CarbonylContact C-O 3.52Å; N165-E198 WeakPolarHBondContact CA-O 3.19Å; N165-E198 HydrophobicContact CB-CB 4.28Å; N165-E198 PolarHBondContact OD1-O 2.74Å; T166-E198 PolarHBondContact N-O 3.1Å; E198-Y200 HydrophobicContact CB-CE2 4.02Å; E198-Y200 PolarHBondContact OE2-OH 3.39Å; E198-A254 HydrophobicContact CG-CB 4.06Å; E198-A254 WeakPolarHBondContact OE1-CB 3.38Å; E198-A254 PolarHBondContact OE1-N 2.97Å; E198-F266 HydrophobicContact CB-CD2 4.47Å; E198-F266 HydrophobicContact CB-CE2 3.76Å; E198-F266 HydrophobicContact CG-CE2 3.86Å; E198-F266 HydrophobicContact CG-CZ 4.42Å
199	T	98.2	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	105.5	177.8	-71.6	0	0	0	0	111	T166 L192 T196 C201 H264 F265 F266	T166-T199 WeakPolarHBondContact OG1-CG2 3.23Å; T166-T199 PolarHBondContact OG1-OG1 3.33Å; T166-T199 VanDerWaalsContact OG1-OG1 3.09Å; L192-T199 HydrophobicContact CD1-CG2 4.29Å; T196-T199 PolarHBondContact OG1-OG1 3.21Å; T199-C201 PolarHBondContact O-N 3.34Å; T199-H264 PolarHBondContact N-O 3.24Å; T199-F265 HydrophobicContact CG2-CD1 3.47Å; T199-F265 VanDerWaalsContact CG2-CD1 3.47Å; T199-F265 HydrophobicContact CG2-CE1 3.68Å; T199-F265 CarbonylContact O-C 3.49Å; T199-F265 WeakPolarHBondContact O-CA 3.31Å; T199-F266 PolarHBondContact O-N 3.23Å
200	Y	98	Very high	95.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	106.7	174.7	-62.7	-95.1	0	0	0	109.5	N165 T166 F167 S168 E198 V236 L253 F266 P268 I368	N165-Y200 WeakPolarHBondContact OD1-CD2 3.33Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.3Å; T166-Y200 WeakPolarHBondContact O-CD2 3.32Å; T166-Y200 PolarHBondContact O-N 2.78Å; F167-Y200 HydrophobicContact CD1-CD2 4.25Å; F167-Y200 AromaticContact CD1-CG 3.94Å; F167-Y200 HydrophobicContact CD1-CG 3.94Å; F167-Y200 HydrophobicContact CE1-CD1 4.06Å; F167-Y200 AromaticContact CE1-CD2 3.88Å; F167-Y200 HydrophobicContact CE1-CD2 3.88Å; F167-Y200 AromaticContact CE1-CG 3.6Å; F167-Y200 HydrophobicContact CE1-CG 3.6Å; F167-Y200 HydrophobicContact CE2-CD2 4.49Å; F167-Y200 HydrophobicContact CZ-CD2 4.01Å; F167-Y200 HydrophobicContact CZ-CE2 4.37Å; F167-Y200 HydrophobicContact CZ-CG 4.18Å; S168-Y200 PolarHBondContact N-O 2.76Å; E198-Y200 HydrophobicContact CB-CE2 4.02Å; E198-Y200 PolarHBondContact OE2-OH 3.39Å; Y200-V236 HydrophobicContact CD1-CG2 4.24Å; Y200-V236 HydrophobicContact CE1-CG1 3.95Å; Y200-V236 HydrophobicContact CE1-CG2 3.72Å; Y200-V236 HydrophobicContact CE2-CG1 4.26Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.28Å; Y200-L253 VanDerWaalsContact OH-CD2 3.24Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.42Å; Y200-F266 HydrophobicContact CD1-CB 4.13Å; Y200-F266 HydrophobicContact CD1-CD2 4.1Å; Y200-F266 HydrophobicContact CD2-CD2 4.37Å; Y200-F266 HydrophobicContact CE1-CB 4.41Å; Y200-F266 AromaticContact CE1-CD2 3.79Å; Y200-F266 HydrophobicContact CE1-CD2 3.79Å; Y200-F266 HydrophobicContact CE2-CD2 4.03Å; Y200-F266 HydrophobicContact CE2-CE2 4.41Å; Y200-F266 HydrophobicContact CG-CD2 4.38Å; Y200-F266 AromaticContact CZ-CD2 3.73Å; Y200-P268 HydrophobicContact CD1-CB 4.3Å; Y200-I368 HydrophobicContact CD1-CG2 4.43Å; Y200-I368 HydrophobicContact CE1-CD1 3.94Å; Y200-I368 HydrophobicContact CE1-CG1 4.03Å; Y200-I368 HydrophobicContact CE1-CG2 3.73Å
201	C	97.4	Very high	95.6	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.02	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.8	179.6	-65.2	0	0	0	0	110.9	V170 T199 F266 P268 I374 L377	V170-C201 HydrophobicContact CG2-CB 4.3Å; T199-C201 PolarHBondContact O-N 3.34Å; C201-F266 PolarHBondContact N-O 3.03Å; C201-P268 WeakPolarHBondContact O-CD 3.44Å; C201-I374 HydrophobicContact CB-CD1 4.01Å; C201-L377 HydrophobicContact CB-CD1 4.35Å
202	I	96.1	Very high	95.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.9	179.7	-65.3	157.9	0	0	0	108.5	F167 S168 V169 V170 L207 V229 P268	F167-I202 HydrophobicContact CB-CD1 3.94Å; F167-I202 HydrophobicContact CD1-CD1 3.94Å; F167-I202 HydrophobicContact CG-CD1 4.43Å; S168-I202 PolarHBondContact O-N 2.76Å; V169-I202 CarbonylContact C-O 3.59Å; V169-I202 VanDerWaalsContact CA-O 3.22Å; V169-I202 WeakPolarHBondContact CA-O 3.38Å; V169-I202 HydrophobicContact CG2-CB 4.33Å; V169-I202 HydrophobicContact CG2-CG2 4.26Å; V170-I202 PolarHBondContact N-O 2.87Å; I202-L207 HydrophobicContact CG2-CD1 3.45Å; I202-L207 VanDerWaalsContact CG2-CD1 3.45Å; I202-L207 HydrophobicContact CG2-CD2 4.42Å; I202-L207 HydrophobicContact CG2-CG 4.04Å; I202-V229 HydrophobicContact CD1-CG1 3.54Å; I202-V229 HydrophobicContact CD1-CG2 4.38Å; I202-V229 HydrophobicContact CG2-CG2 3.72Å; I202-P268 HydrophobicContact CG1-CG 4.3Å
203	D	93.9	Very high	95.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.5	-178.9	-170	-28.6	0	0	0	110.7	E205 A206 L207 M300 A302 R380	D203-E205 PolarHBondContact O-N 3.16Å; D203-E205 VanDerWaalsContact OD1-CB 3.23Å; D203-E205 WeakPolarHBondContact OD1-CB 3.28Å; D203-E205 PolarHBondContact OD1-N 3.28Å; D203-A206 HydrophobicContact CB-CB 4.01Å; D203-A206 PolarHBondContact O-N 3.42Å; D203-A206 VanDerWaalsContact O-N 3.12Å; D203-L207 WeakPolarHBondContact O-CG 3.24Å; D203-L207 PolarHBondContact O-N 3.02Å; D203-M300 WeakPolarHBondContact CB-O 3.04Å; D203-M300 PolarHBondContact N-O 2.94Å; D203-A302 HydrophobicContact CB-CB 4.44Å; D203-A302 WeakPolarHBondContact OD2-CB 3.46Å; D203-A302 PolarHBondContact OD2-N 3.3Å; D203-R380 IonicContact OD2-CZ 2.69Å; D203-R380 IonicContact OD2-NH1 3.8Å; D203-R380 PolarHBondContact OD2-NH1 2.8Å; D203-R380 IonicContact OD2-NH2 3.96Å; D203-R380 PolarHBondContact OD2-NH2 3.07Å
204	N	90.4	Very high	94.8	Very high	23 Å²	23	33.1 Å²	33.1	12%	0.123	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-30.4	177.4	-81.6	-26	0	0	0	113	V169 Y208	V169-N204 WeakPolarHBondContact CG1-ND2 3.26Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.12Å; N204-Y208 VanDerWaalsContact O-CB 3.27Å; N204-Y208 WeakPolarHBondContact O-CB 3.4Å; N204-Y208 PolarHBondContact O-N 2.84Å
205	E	90.5	Very high	94.7	Very high	29 Å²	29	29.4 Å²	29.4	14%	0.136	14%	0.136	C	C	.	.	H	α-helix	trans	-67.4	-46.3	175.5	-167.5	169.5	162.5	0	0	111.4	S172 K174 D203 Y208 D209	S172-E205 WeakPolarHBondContact OG-CB 3.45Å; S172-E205 PolarHBondContact OG-OE2 3.11Å; K174-E205 WeakPolarHBondContact CD-OE1 3.2Å; K174-E205 WeakPolarHBondContact CE-OE1 3.45Å; K174-E205 IonicContact NZ-OE1 3.88Å; K174-E205 PolarHBondContact NZ-OE1 3.03Å; D203-E205 PolarHBondContact O-N 3.16Å; D203-E205 VanDerWaalsContact OD1-CB 3.23Å; D203-E205 WeakPolarHBondContact OD1-CB 3.28Å; D203-E205 PolarHBondContact OD1-N 3.28Å; E205-Y208 PolarHBondContact O-N 3.11Å; E205-D209 WeakPolarHBondContact O-CB 3.24Å; E205-D209 PolarHBondContact O-N 3.46Å
206	A	93.3	Very high	94.4	Very high	11 Å²	11	35.2 Å²	35.2	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-44.3	178.1	0	0	0	0	0	111	D203 Y208 D209 I210 A302	D203-A206 HydrophobicContact CB-CB 4.01Å; D203-A206 PolarHBondContact O-N 3.42Å; D203-A206 VanDerWaalsContact O-N 3.12Å; A206-Y208 VanDerWaalsContact C-N 3.35Å; A206-Y208 PolarHBondContact O-N 3.28Å; A206-D209 PolarHBondContact O-N 3.46Å; A206-I210 VanDerWaalsContact O-CG1 3.31Å; A206-I210 WeakPolarHBondContact O-CG1 3.32Å; A206-I210 PolarHBondContact O-N 3.02Å; A206-A302 HydrophobicContact CB-CB 4.18Å
207	L	94.1	Very high	94.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-43.6	175.2	-68.3	178.3	0	0	0	112.2	I202 D203 I210 C211 L225 L228 V229 M300	I202-L207 HydrophobicContact CG2-CD1 3.45Å; I202-L207 VanDerWaalsContact CG2-CD1 3.45Å; I202-L207 HydrophobicContact CG2-CD2 4.42Å; I202-L207 HydrophobicContact CG2-CG 4.04Å; D203-L207 WeakPolarHBondContact O-CG 3.24Å; D203-L207 PolarHBondContact O-N 3.02Å; L207-I210 PolarHBondContact O-N 2.82Å; L207-C211 WeakPolarHBondContact O-CB 3.13Å; L207-C211 PolarHBondContact O-N 2.91Å; L207-C211 PolarHBondContact O-SG 2.83Å; L207-L225 HydrophobicContact CB-CB 4.41Å; L207-L225 HydrophobicContact CB-CD2 4.11Å; L207-L225 HydrophobicContact CB-CG 3.91Å; L207-L225 HydrophobicContact CD1-CB 4.23Å; L207-L228 HydrophobicContact CD2-CB 4.16Å; L207-L228 HydrophobicContact CD2-CD1 4.41Å; L207-V229 HydrophobicContact CD1-CG2 3.57Å; L207-V229 HydrophobicContact CD2-CG2 4.13Å; L207-M300 HydrophobicContact CD2-CB 4.14Å; L207-M300 HydrophobicContact CD2-CE 4.4Å; L207-M300 HydrophobicContact CD2-CG 3.88Å; L207-M300 HydrophobicContact CD2-SD 3.79Å
208	Y	92.3	Very high	93.8	Very high	91 Å²	91	40.1 Å²	40.1	36%	0.357	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-45.7	177	-173.6	-85.8	0	0	0	111.2	N204 E205 A206 I210 C211 F212 P220	N204-Y208 VanDerWaalsContact O-CB 3.27Å; N204-Y208 WeakPolarHBondContact O-CB 3.4Å; N204-Y208 PolarHBondContact O-N 2.84Å; E205-Y208 PolarHBondContact O-N 3.11Å; A206-Y208 VanDerWaalsContact C-N 3.35Å; A206-Y208 PolarHBondContact O-N 3.28Å; Y208-I210 PolarHBondContact O-N 3.43Å; Y208-C211 PolarHBondContact O-N 3.41Å; Y208-F212 HydrophobicContact CD1-CB 4.36Å; Y208-F212 HydrophobicContact CE1-CB 4.12Å; Y208-F212 HydrophobicContact CE1-CG 4.38Å; Y208-F212 VanDerWaalsContact O-CB 3.29Å; Y208-F212 WeakPolarHBondContact O-CB 3.35Å; Y208-F212 PolarHBondContact O-N 3.27Å; Y208-P220 HydrophobicContact CD2-CB 3.94Å; Y208-P220 HydrophobicContact CD2-CG 4.14Å; Y208-P220 HydrophobicContact CE2-CB 3.89Å; Y208-P220 HydrophobicContact CE2-CG 3.85Å
209	D	93	Very high	93.5	Very high	46 Å²	46	45.1 Å²	45.1	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-38.6	178.4	-94.2	-22.5	0	0	0	112.3	E205 A206 R213	E205-D209 WeakPolarHBondContact O-CB 3.24Å; E205-D209 PolarHBondContact O-N 3.46Å; A206-D209 PolarHBondContact O-N 3.46Å; D209-R213 VanDerWaalsContact CG-NH2 3.31Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.41Å; D209-R213 WeakPolarHBondContact O-CG 3.45Å; D209-R213 PolarHBondContact O-N 2.98Å; D209-R213 IonicContact OD1-CZ 2.88Å; D209-R213 IonicContact OD1-NE 3.48Å; D209-R213 PolarHBondContact OD1-NE 3.43Å; D209-R213 IonicContact OD1-NH2 3.26Å; D209-R213 PolarHBondContact OD1-NH2 3.22Å; D209-R213 IonicContact OD2-CZ 3.54Å; D209-R213 IonicContact OD2-NE 2.85Å; D209-R213 IonicContact OD2-NH2 2.77Å; D209-R213 PolarHBondContact OD2-NH2 3.15Å
210	I	94.5	Very high	93.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.227	C	C	.	.	I	π-helix	trans	-60	-50.8	172.6	-71.2	164.6	0	0	0	110.2	A206 L207 Y208 F212 T214 L215 L228 L273 K297 M300	A206-I210 VanDerWaalsContact O-CG1 3.31Å; A206-I210 WeakPolarHBondContact O-CG1 3.32Å; A206-I210 PolarHBondContact O-N 3.02Å; L207-I210 PolarHBondContact O-N 2.82Å; Y208-I210 PolarHBondContact O-N 3.43Å; I210-F212 PolarHBondContact O-N 2.91Å; I210-T214 WeakPolarHBondContact O-CA 3.3Å; I210-T214 VanDerWaalsContact O-CB 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.1Å; I210-T214 PolarHBondContact O-N 2.98Å; I210-L215 HydrophobicContact CG2-CG 4.39Å; I210-L215 PolarHBondContact O-N 2.99Å; I210-L228 HydrophobicContact CB-CD1 4.25Å; I210-L228 HydrophobicContact CG2-CD1 3.64Å; I210-L273 HydrophobicContact CD1-CD1 4.47Å; I210-L273 HydrophobicContact CG2-CD1 3.8Å; I210-L273 HydrophobicContact CG2-CD2 3.86Å; I210-L273 HydrophobicContact CG2-CG 4.36Å; I210-K297 VanDerWaalsContact CG1-O 3.27Å; I210-K297 WeakPolarHBondContact CG1-O 3.13Å; I210-M300 HydrophobicContact CD1-CG 4.3Å
211	C	93.9	Very high	93	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-60.6	-46.6	179.6	-77.6	0	0	0	0	112.1	L207 Y208 L215 K216 L217 P220 L228	L207-C211 WeakPolarHBondContact O-CB 3.13Å; L207-C211 PolarHBondContact O-N 2.91Å; L207-C211 PolarHBondContact O-SG 2.83Å; Y208-C211 PolarHBondContact O-N 3.41Å; C211-L215 CarbonylContact O-C 3.55Å; C211-L215 WeakPolarHBondContact O-CB 3.07Å; C211-K216 PolarHBondContact O-N 3.24Å; C211-L217 HydrophobicContact CB-CD1 4.07Å; C211-L217 WeakPolarHBondContact O-CB 3.14Å; C211-L217 WeakPolarHBondContact O-CG 3.41Å; C211-L217 PolarHBondContact O-N 3.19Å; C211-P220 HydrophobicContact CB-CB 3.65Å; C211-P220 HydrophobicContact CB-CG 3.74Å; C211-L228 VanDerWaalsContact SG-CD1 3.56Å
212	F	93.4	Very high	92.6	Very high	99 Å²	99	55.2 Å²	55.2	43%	0.434	27%	0.271	S	S	.	.	I	π-helix	trans	-73.8	-52	-175.6	-176.4	-108.3	0	0	0	112.4	Y208 I210 K216 L217 P220	Y208-F212 HydrophobicContact CD1-CB 4.36Å; Y208-F212 HydrophobicContact CE1-CB 4.12Å; Y208-F212 HydrophobicContact CE1-CG 4.38Å; Y208-F212 VanDerWaalsContact O-CB 3.29Å; Y208-F212 WeakPolarHBondContact O-CB 3.35Å; Y208-F212 PolarHBondContact O-N 3.27Å; I210-F212 PolarHBondContact O-N 2.91Å; F212-K216 VanDerWaalsContact O-CA 3.29Å; F212-K216 WeakPolarHBondContact O-CA 3.46Å; F212-K216 PolarHBondContact O-N 2.94Å; F212-L217 VanDerWaalsContact CD2-O 3.27Å; F212-L217 WeakPolarHBondContact CD2-O 3.42Å; F212-P220 HydrophobicContact CB-CG 3.95Å
213	R	92.4	Very high	92.5	Very high	167 Å²	167	57.3 Å²	57.3	63%	0.63	29%	0.293	S	S	*	.	I	π-helix	trans	-86.5	-46.9	-171.9	-56	-176.6	-167	-175.5	9.7	112.3	D209	D209-R213 VanDerWaalsContact CG-NH2 3.31Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.41Å; D209-R213 WeakPolarHBondContact O-CG 3.45Å; D209-R213 PolarHBondContact O-N 2.98Å; D209-R213 IonicContact OD1-CZ 2.88Å; D209-R213 IonicContact OD1-NE 3.48Å; D209-R213 PolarHBondContact OD1-NE 3.43Å; D209-R213 IonicContact OD1-NH2 3.26Å; D209-R213 PolarHBondContact OD1-NH2 3.22Å; D209-R213 IonicContact OD2-CZ 3.54Å; D209-R213 IonicContact OD2-NE 2.85Å; D209-R213 IonicContact OD2-NH2 2.77Å; D209-R213 PolarHBondContact OD2-NH2 3.15Å
214	T	92.3	Very high	92.5	Very high	37 Å²	37	59.2 Å²	59.2	23%	0.227	30%	0.303	C	S	.	.	I	π-helix	trans	-85.4	-48.8	-172.2	-54.1	0	0	0	0	111.3	I210 K216 L273	I210-T214 WeakPolarHBondContact O-CA 3.3Å; I210-T214 VanDerWaalsContact O-CB 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.1Å; I210-T214 PolarHBondContact O-N 2.98Å; T214-K216 VanDerWaalsContact C-N 3.31Å; T214-L273 HydrophobicContact CG2-CB 3.71Å; T214-L273 WeakPolarHBondContact CG2-O 3.37Å
215	L	93	Very high	92.7	Very high	33 Å²	33	58.3 Å²	58.3	17%	0.173	30%	0.299	C	S	.	.	S	Bend	trans	-82.1	-10.9	178.2	-55.9	-177.1	0	0	0	113.3	I210 C211 L217 L228 L273 S275	I210-L215 HydrophobicContact CG2-CG 4.39Å; I210-L215 PolarHBondContact O-N 2.99Å; C211-L215 CarbonylContact O-C 3.55Å; C211-L215 WeakPolarHBondContact O-CB 3.07Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 HydrophobicContact CB-CD1 4.49Å; L215-L217 HydrophobicContact CB-CG 4.08Å; L215-L217 PolarHBondContact O-N 3.32Å; L215-L228 HydrophobicContact CD1-CD1 4.31Å; L215-L228 HydrophobicContact CD1-CD2 4.27Å; L215-L273 HydrophobicContact CD2-CB 4.24Å; L215-L273 HydrophobicContact CD2-CD2 4.31Å; L215-S275 VanDerWaalsContact O-CB 3.28Å; L215-S275 WeakPolarHBondContact O-CB 3.21Å
216	K	93	Very high	92.9	Very high	144 Å²	144	57.7 Å²	57.7	63%	0.626	30%	0.296	S	S	*	.			trans	60.2	36.7	178.4	-56.5	-178.8	178.9	178	0	113.1	C211 F212 T214	C211-K216 PolarHBondContact O-N 3.24Å; F212-K216 VanDerWaalsContact O-CA 3.29Å; F212-K216 WeakPolarHBondContact O-CA 3.46Å; F212-K216 PolarHBondContact O-N 2.94Å; T214-K216 VanDerWaalsContact C-N 3.31Å
217	L	92.7	Very high	92.9	Very high	35 Å²	35	61.8 Å²	61.8	18%	0.183	31%	0.313	C	S	.	.			trans	-80.5	125.5	173.1	-55.9	-177.3	0	0	0	109	C211 F212 L215 P220 D224	C211-L217 HydrophobicContact CB-CD1 4.07Å; C211-L217 WeakPolarHBondContact O-CB 3.14Å; C211-L217 WeakPolarHBondContact O-CG 3.41Å; C211-L217 PolarHBondContact O-N 3.19Å; F212-L217 VanDerWaalsContact CD2-O 3.27Å; F212-L217 WeakPolarHBondContact CD2-O 3.42Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 HydrophobicContact CB-CD1 4.49Å; L215-L217 HydrophobicContact CB-CG 4.08Å; L215-L217 PolarHBondContact O-N 3.32Å; L217-P220 HydrophobicContact CB-CG 4.29Å; L217-D224 HydrophobicContact CD1-CB 3.86Å
218	T	90.9	Very high	93	Very high	119 Å²	119	62.1 Å²	62.1	73%	0.73	32%	0.315	S	S	*	.	S	Bend	trans	-71	-32.1	-177	49.3	0	0	0	0	113.1
219	T	90.6	Very high	93.2	Very high	106 Å²	106	57.8 Å²	57.8	65%	0.65	30%	0.298	S	S	*	.	S	Bend	trans	-138.7	80.4	178.6	52	0	0	0	0	108.8	T221	T219-T221 PolarHBondContact O-N 3.17Å
220	P	92.3	Very high	93.3	Very high	18 Å²	18	55.6 Å²	55.6	12%	0.117	29%	0.286	C	S	.	.			trans	-54.1	132.4	175.3	-25	34.4	0	0	0	111.3	Y208 C211 F212 L217 L225	Y208-P220 HydrophobicContact CD2-CB 3.94Å; Y208-P220 HydrophobicContact CD2-CG 4.14Å; Y208-P220 HydrophobicContact CE2-CB 3.89Å; Y208-P220 HydrophobicContact CE2-CG 3.85Å; C211-P220 HydrophobicContact CB-CB 3.65Å; C211-P220 HydrophobicContact CB-CG 3.74Å; F212-P220 HydrophobicContact CB-CG 3.95Å; L217-P220 HydrophobicContact CB-CG 4.29Å; P220-L225 HydrophobicContact CB-CD1 4.03Å
221	T	92.4	Very high	93.3	Very high	75 Å²	75	56.3 Å²	56.3	46%	0.46	29%	0.292	S	S	.	.			trans	-108.5	158.7	175.9	68.6	0	0	0	0	110.3	T219 G223 D224 L225	T219-T221 PolarHBondContact O-N 3.17Å; T221-G223 PolarHBondContact O-N 3.33Å; T221-G223 PolarHBondContact OG1-N 3.25Å; T221-D224 WeakPolarHBondContact CB-OD2 3.04Å; T221-D224 PolarHBondContact N-OD2 2.8Å; T221-D224 WeakPolarHBondContact O-CA 3.33Å; T221-D224 WeakPolarHBondContact O-CB 3.45Å; T221-D224 PolarHBondContact O-N 2.8Å; T221-D224 PolarHBondContact OG1-N 3.24Å; T221-D224 PolarHBondContact OG1-OD2 2.95Å; T221-L225 WeakPolarHBondContact O-CD1 3.49Å; T221-L225 PolarHBondContact O-N 2.72Å; T221-L225 VanDerWaalsContact O-N 3.15Å
222	Y	90.7	Very high	93.4	Very high	121 Å²	121	56.4 Å²	56.4	48%	0.475	29%	0.293	S	S	.	.	H	α-helix	trans	-54.8	-27.8	172.7	-75.4	-68.6	0	0	0	113.1	D224 L225 N226	Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 3.02Å; Y222-L225 HydrophobicContact CD1-CD2 4.24Å; Y222-L225 HydrophobicContact CE1-CD2 4.47Å; Y222-L225 PolarHBondContact O-N 3.29Å; Y222-N226 VanDerWaalsContact O-CB 3.23Å; Y222-N226 WeakPolarHBondContact O-CB 3.27Å; Y222-N226 PolarHBondContact O-N 3.35Å; Y222-N226 PolarHBondContact O-ND2 3.48Å; Y222-N226 PolarHBondContact O-OD1 3.09Å
223	G	93	Very high	93.6	Very high	47 Å²	47	51.7 Å²	51.7	49%	0.485	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-37.7	171.9	0	0	0	0	0	113.4	T221 H227	T221-G223 PolarHBondContact O-N 3.33Å; T221-G223 PolarHBondContact OG1-N 3.25Å; G223-H227 WeakPolarHBondContact O-CB 3.1Å; G223-H227 PolarHBondContact O-N 3Å; G223-H227 VanDerWaalsContact O-N 3.16Å
224	D	93.7	Very high	93.7	Very high	40 Å²	40	43.7 Å²	43.7	21%	0.214	24%	0.242	C	C	.	.	H	α-helix	trans	-70	-42.8	175.5	-57	-66.5	0	0	0	111.3	L217 T221 Y222 H227 L228	L217-D224 HydrophobicContact CD1-CB 3.86Å; T221-D224 WeakPolarHBondContact CB-OD2 3.04Å; T221-D224 PolarHBondContact N-OD2 2.8Å; T221-D224 WeakPolarHBondContact O-CA 3.33Å; T221-D224 WeakPolarHBondContact O-CB 3.45Å; T221-D224 PolarHBondContact O-N 2.8Å; T221-D224 PolarHBondContact OG1-N 3.24Å; T221-D224 PolarHBondContact OG1-OD2 2.95Å; Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 3.02Å; D224-H227 PolarHBondContact O-N 3.26Å; D224-L228 PolarHBondContact O-N 3.04Å
225	L	94.3	Very high	93.8	Very high	4 Å²	4	42 Å²	42	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-50	177.4	-77.9	69.5	0	0	0	110.4	L207 P220 T221 Y222 H227 L228 V229	L207-L225 HydrophobicContact CB-CB 4.41Å; L207-L225 HydrophobicContact CB-CD2 4.11Å; L207-L225 HydrophobicContact CB-CG 3.91Å; L207-L225 HydrophobicContact CD1-CB 4.23Å; P220-L225 HydrophobicContact CB-CD1 4.03Å; T221-L225 WeakPolarHBondContact O-CD1 3.49Å; T221-L225 PolarHBondContact O-N 2.72Å; T221-L225 VanDerWaalsContact O-N 3.15Å; Y222-L225 HydrophobicContact CD1-CD2 4.24Å; Y222-L225 HydrophobicContact CE1-CD2 4.47Å; Y222-L225 PolarHBondContact O-N 3.29Å; L225-H227 PolarHBondContact O-N 3.26Å; L225-L228 WeakPolarHBondContact O-CB 3.22Å; L225-L228 PolarHBondContact O-N 2.86Å; L225-V229 WeakPolarHBondContact O-CG2 3.26Å; L225-V229 PolarHBondContact O-N 2.98Å; L225-V229 VanDerWaalsContact O-N 3.09Å
226	N	94.6	Very high	93.7	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.08	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-30	180	-66.4	-10.8	0	0	0	112.3	I16 K19 Y222 S230	I16-N226 HydrophobicContact CG1-CB 4.3Å; I16-N226 VanDerWaalsContact CG1-OD1 3.29Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.13Å; K19-N226 HydrophobicContact CB-CB 4.47Å; Y222-N226 VanDerWaalsContact O-CB 3.23Å; Y222-N226 WeakPolarHBondContact O-CB 3.27Å; Y222-N226 PolarHBondContact O-N 3.35Å; Y222-N226 PolarHBondContact O-ND2 3.48Å; Y222-N226 PolarHBondContact O-OD1 3.09Å; N226-S230 WeakPolarHBondContact O-CB 3.37Å; N226-S230 PolarHBondContact O-N 3.1Å; N226-S230 PolarHBondContact O-OG 2.84Å
227	H	94.8	Very high	93.7	Very high	97 Å²	97	33.8 Å²	33.8	45%	0.449	20%	0.195	S	C	.	.	H	α-helix	trans	-67.3	-38.2	174	-179.9	53.4	0	0	0	112.8	G223 D224 L225 S230 A231	G223-H227 WeakPolarHBondContact O-CB 3.1Å; G223-H227 PolarHBondContact O-N 3Å; G223-H227 VanDerWaalsContact O-N 3.16Å; D224-H227 PolarHBondContact O-N 3.26Å; L225-H227 PolarHBondContact O-N 3.26Å; H227-S230 PolarHBondContact O-OG 2.77Å; H227-S230 VanDerWaalsContact O-OG 3.05Å; H227-A231 WeakPolarHBondContact O-CB 3.18Å; H227-A231 PolarHBondContact O-N 3.27Å
228	L	94.7	Very high	93.6	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-43.8	174.3	-73	176.5	0	0	0	111.6	L207 I210 C211 L215 D224 L225 A231 T232 L273 M300	L207-L228 HydrophobicContact CD2-CB 4.16Å; L207-L228 HydrophobicContact CD2-CD1 4.41Å; I210-L228 HydrophobicContact CB-CD1 4.25Å; I210-L228 HydrophobicContact CG2-CD1 3.64Å; C211-L228 VanDerWaalsContact SG-CD1 3.56Å; L215-L228 HydrophobicContact CD1-CD1 4.31Å; L215-L228 HydrophobicContact CD1-CD2 4.27Å; D224-L228 PolarHBondContact O-N 3.04Å; L225-L228 WeakPolarHBondContact O-CB 3.22Å; L225-L228 PolarHBondContact O-N 2.86Å; L228-A231 PolarHBondContact O-N 3.4Å; L228-T232 PolarHBondContact O-N 2.79Å; L228-T232 VanDerWaalsContact O-N 3.12Å; L228-T232 PolarHBondContact O-OG1 2.81Å; L228-L273 HydrophobicContact CD2-CD2 3.58Å; L228-M300 HydrophobicContact CB-CE 3.95Å
229	V	96.6	Very high	93.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-47.3	176.9	179.1	0	0	0	0	110.4	I16 I202 L207 L225 A231 T232 M233	I16-V229 HydrophobicContact CD1-CG1 4.29Å; I16-V229 HydrophobicContact CG2-CB 4.21Å; I16-V229 HydrophobicContact CG2-CG1 3.53Å; I202-V229 HydrophobicContact CD1-CG1 3.54Å; I202-V229 HydrophobicContact CD1-CG2 4.38Å; I202-V229 HydrophobicContact CG2-CG2 3.72Å; L207-V229 HydrophobicContact CD1-CG2 3.57Å; L207-V229 HydrophobicContact CD2-CG2 4.13Å; L225-V229 WeakPolarHBondContact O-CG2 3.26Å; L225-V229 PolarHBondContact O-N 2.98Å; L225-V229 VanDerWaalsContact O-N 3.09Å; V229-A231 PolarHBondContact O-N 3.28Å; V229-T232 WeakPolarHBondContact O-CB 3.48Å; V229-T232 PolarHBondContact O-N 3.34Å; V229-T232 VanDerWaalsContact O-N 3.13Å; V229-M233 HydrophobicContact CG1-CG 4.22Å; V229-M233 HydrophobicContact CG1-SD 3.88Å; V229-M233 WeakPolarHBondContact O-CG 3.4Å; V229-M233 PolarHBondContact O-N 2.8Å
230	S	96.2	Very high	93.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-36.4	-179.2	71.4	0	0	0	0	113.3	V23 N226 H227 T232 M233 S234	V23-S230 WeakPolarHBondContact CG2-OG 3.39Å; N226-S230 WeakPolarHBondContact O-CB 3.37Å; N226-S230 PolarHBondContact O-N 3.1Å; N226-S230 PolarHBondContact O-OG 2.84Å; H227-S230 PolarHBondContact O-OG 2.77Å; H227-S230 VanDerWaalsContact O-OG 3.05Å; S230-T232 VanDerWaalsContact C-N 3.27Å; S230-T232 PolarHBondContact O-N 2.94Å; S230-M233 PolarHBondContact O-N 3.4Å; S230-S234 VanDerWaalsContact O-CB 3.27Å; S230-S234 WeakPolarHBondContact O-CB 3.47Å; S230-S234 PolarHBondContact O-N 2.89Å
231	A	94.7	Very high	93.3	Very high	16 Å²	16	21.5 Å²	21.5	13%	0.132	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-38.7	173.5	0	0	0	0	0	111.6	H227 L228 V229 G235 F270	H227-A231 WeakPolarHBondContact O-CB 3.18Å; H227-A231 PolarHBondContact O-N 3.27Å; L228-A231 PolarHBondContact O-N 3.4Å; V229-A231 PolarHBondContact O-N 3.28Å; A231-G235 PolarHBondContact O-N 2.77Å; A231-F270 HydrophobicContact CB-CD2 4.09Å; A231-F270 HydrophobicContact CB-CE2 3.94Å; A231-F270 HydrophobicContact CB-CG 4.46Å; A231-F270 HydrophobicContact CB-CZ 4.17Å
232	T	95.3	Very high	93.1	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-68.7	-50.1	175.9	-58.9	0	0	0	0	111.7	L228 V229 S230 S234 G235 V236 P268 M300 T366	L228-T232 PolarHBondContact O-N 2.79Å; L228-T232 VanDerWaalsContact O-N 3.12Å; L228-T232 PolarHBondContact O-OG1 2.81Å; V229-T232 WeakPolarHBondContact O-CB 3.48Å; V229-T232 PolarHBondContact O-N 3.34Å; V229-T232 VanDerWaalsContact O-N 3.13Å; S230-T232 VanDerWaalsContact C-N 3.27Å; S230-T232 PolarHBondContact O-N 2.94Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 2.83Å; T232-G235 WeakPolarHBondContact O-CA 3.45Å; T232-G235 PolarHBondContact O-N 3.36Å; T232-V236 HydrophobicContact CG2-CG2 4.5Å; T232-V236 WeakPolarHBondContact O-CG2 3.25Å; T232-V236 PolarHBondContact O-N 3.42Å; T232-P268 HydrophobicContact CG2-CB 3.62Å; T232-P268 HydrophobicContact CG2-CG 4.41Å; T232-M300 HydrophobicContact CG2-SD 4.28Å; T232-M300 WeakPolarHBondContact OG1-CE 3.43Å; T232-M300 PolarHBondContact OG1-SD 2.82Å; T232-T366 HydrophobicContact CG2-CG2 4.18Å
233	M	96.5	Very high	92.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.1	-43.4	175.9	-67.7	171.2	70.7	0	0	111.7	I16 F20 T136 F167 V229 S230 G235 T237	I16-M233 HydrophobicContact CG2-SD 3.55Å; I16-M233 VanDerWaalsContact CG2-SD 3.55Å; F20-M233 HydrophobicContact CB-CE 4.06Å; F20-M233 HydrophobicContact CB-SD 4.23Å; F20-M233 HydrophobicContact CD1-CE 4.11Å; F20-M233 HydrophobicContact CD2-CB 3.59Å; F20-M233 HydrophobicContact CD2-CE 4Å; F20-M233 HydrophobicContact CD2-SD 4.33Å; F20-M233 HydrophobicContact CE2-CB 3.77Å; F20-M233 HydrophobicContact CE2-CE 4.47Å; F20-M233 HydrophobicContact CG-CB 4.48Å; F20-M233 HydrophobicContact CG-CE 3.78Å; F20-M233 HydrophobicContact CG-SD 4.37Å; T136-M233 VanDerWaalsContact OG1-CE 3.26Å; T136-M233 WeakPolarHBondContact OG1-CE 3.46Å; F167-M233 HydrophobicContact CD1-CG 3.6Å; F167-M233 HydrophobicContact CD2-CE 3.84Å; F167-M233 HydrophobicContact CD2-CG 3.84Å; F167-M233 HydrophobicContact CD2-SD 4.35Å; F167-M233 HydrophobicContact CE1-CB 4.28Å; F167-M233 HydrophobicContact CE1-CG 3.59Å; F167-M233 HydrophobicContact CE2-CB 4.26Å; F167-M233 HydrophobicContact CE2-CE 4.23Å; F167-M233 HydrophobicContact CE2-CG 3.82Å; F167-M233 HydrophobicContact CG-CE 4.29Å; F167-M233 HydrophobicContact CG-CG 3.72Å; F167-M233 HydrophobicContact CG-SD 4.25Å; F167-M233 HydrophobicContact CZ-CB 4.04Å; F167-M233 HydrophobicContact CZ-CG 3.7Å; V229-M233 HydrophobicContact CG1-CG 4.22Å; V229-M233 HydrophobicContact CG1-SD 3.88Å; V229-M233 WeakPolarHBondContact O-CG 3.4Å; V229-M233 PolarHBondContact O-N 2.8Å; S230-M233 PolarHBondContact O-N 3.4Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 3.16Å; M233-T237 WeakPolarHBondContact O-CG2 3.32Å; M233-T237 PolarHBondContact O-N 3.04Å; M233-T237 PolarHBondContact O-OG1 3.34Å
234	S	95	Very high	91.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.8	-43.2	175.1	175	0	0	0	0	111.5	E27 S230 T232 T237 T238 R241 R318	E27-S234 PolarHBondContact OE1-OG 3.26Å; E27-S234 PolarHBondContact OE2-OG 3.11Å; E27-S234 VanDerWaalsContact OE2-OG 3.1Å; S230-S234 VanDerWaalsContact O-CB 3.27Å; S230-S234 WeakPolarHBondContact O-CB 3.47Å; S230-S234 PolarHBondContact O-N 2.89Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 2.83Å; S234-T237 PolarHBondContact O-N 3.34Å; S234-T237 PolarHBondContact O-OG1 2.8Å; S234-T238 PolarHBondContact O-N 3.42Å; S234-R241 PolarHBondContact O-NH2 2.83Å; S234-R241 PolarHBondContact OG-NH2 2.91Å; S234-R318 PolarHBondContact OG-NH1 3.06Å
235	G	93.9	Very high	89.8	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.6	-42.9	178.4	0	0	0	0	0	114.3	A231 T232 M233 T237 T238 T366	A231-G235 PolarHBondContact O-N 2.77Å; T232-G235 WeakPolarHBondContact O-CA 3.45Å; T232-G235 PolarHBondContact O-N 3.36Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 3.16Å; G235-T237 PolarHBondContact O-N 3.2Å; G235-T238 VanDerWaalsContact O-CG2 3.22Å; G235-T238 WeakPolarHBondContact O-CG2 3.45Å; G235-T238 PolarHBondContact O-N 3.48Å; G235-T366 WeakPolarHBondContact CA-OG1 3.3Å
236	V	92.7	Very high	87.8	Confident	5 Å²	5	21.9 Å²	21.9	3%	0.03	12%	0.121	C	C	.	.	H	α-helix	trans	-55.3	-40.8	174.4	171.2	0	0	0	0	110.9	F167 Y200 T232 L253 T366 I368	F167-V236 HydrophobicContact CE1-CG2 4.35Å; F167-V236 HydrophobicContact CZ-CB 4.23Å; F167-V236 HydrophobicContact CZ-CG1 4.26Å; F167-V236 HydrophobicContact CZ-CG2 4.28Å; Y200-V236 HydrophobicContact CD1-CG2 4.24Å; Y200-V236 HydrophobicContact CE1-CG1 3.95Å; Y200-V236 HydrophobicContact CE1-CG2 3.72Å; Y200-V236 HydrophobicContact CE2-CG1 4.26Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.28Å; T232-V236 HydrophobicContact CG2-CG2 4.5Å; T232-V236 WeakPolarHBondContact O-CG2 3.25Å; T232-V236 PolarHBondContact O-N 3.42Å; V236-L253 HydrophobicContact CG1-CD2 4.37Å; V236-T366 HydrophobicContact CG2-CG2 3.92Å; V236-I368 HydrophobicContact CG1-CD1 4.33Å; V236-I368 HydrophobicContact CG2-CD1 4.02Å; V236-I368 HydrophobicContact CG2-CG1 4.24Å
237	T	92	Very high	86.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.1	-172.9	61.4	0	0	0	0	113.7	Y50 M233 S234 G235 C239 L240 R241	Y50-T237 HydrophobicContact CE2-CG2 4.27Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.26Å; M233-T237 WeakPolarHBondContact O-CG2 3.32Å; M233-T237 PolarHBondContact O-N 3.04Å; M233-T237 PolarHBondContact O-OG1 3.34Å; S234-T237 PolarHBondContact O-N 3.34Å; S234-T237 PolarHBondContact O-OG1 2.8Å; G235-T237 PolarHBondContact O-N 3.2Å; T237-C239 VanDerWaalsContact C-N 3.33Å; T237-C239 PolarHBondContact O-N 3.23Å; T237-L240 VanDerWaalsContact O-CB 3.3Å; T237-L240 WeakPolarHBondContact O-CB 3.47Å; T237-L240 PolarHBondContact O-N 3.1Å; T237-R241 PolarHBondContact O-N 2.91Å; T237-R241 VanDerWaalsContact O-N 3.15Å; T237-R241 PolarHBondContact OG1-NE 3.01Å
238	T	91.5	Very high	84.9	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-38.3	-172.7	-161.9	0	0	0	0	112.6	S234 G235 L240 R241 F242 I316 R318 C354	S234-T238 PolarHBondContact O-N 3.42Å; G235-T238 VanDerWaalsContact O-CG2 3.22Å; G235-T238 WeakPolarHBondContact O-CG2 3.45Å; G235-T238 PolarHBondContact O-N 3.48Å; T238-L240 PolarHBondContact O-N 2.82Å; T238-R241 PolarHBondContact O-N 2.84Å; T238-F242 PolarHBondContact O-N 2.94Å; T238-I316 HydrophobicContact CG2-CG2 3.37Å; T238-R318 HydrophobicContact CG2-CG 4.03Å; T238-R318 PolarHBondContact OG1-NE 3.11Å; T238-C354 HydrophobicContact CG2-CB 4.21Å
239	C	86.3	Confident	84.4	Confident	8 Å²	8	20.1 Å²	20.1	5%	0.054	12%	0.121	C	C	.	.	H	α-helix	trans	-71.3	-14.9	179.7	-64.9	0	0	0	0	112.8	R46 T237	R46-C239 PolarHBondContact NH1-O 3.2Å; T237-C239 VanDerWaalsContact C-N 3.33Å; T237-C239 PolarHBondContact O-N 3.23Å
240	L	89.1	Confident	84	Confident	13 Å²	13	20 Å²	20	7%	0.068	12%	0.12	C	C	.	.	H	α-helix	trans	-84.5	-45.6	174.1	-47.7	-179.7	0	0	0	109.5	I4 R46 V49 T237 T238 D249 L250	I4-L240 HydrophobicContact CD1-CD1 3.64Å; R46-L240 WeakPolarHBondContact CD-O 3.36Å; V49-L240 HydrophobicContact CG1-CB 4.22Å; V49-L240 WeakPolarHBondContact CG2-O 3.19Å; T237-L240 VanDerWaalsContact O-CB 3.3Å; T237-L240 WeakPolarHBondContact O-CB 3.47Å; T237-L240 PolarHBondContact O-N 3.1Å; T238-L240 PolarHBondContact O-N 2.82Å; L240-D249 VanDerWaalsContact CD2-CA 3.47Å; L240-L250 HydrophobicContact CD1-CD2 4.07Å; L240-L250 HydrophobicContact CD1-CG 3.95Å
241	R	91.5	Very high	83.8	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-82.8	-21.6	-173.5	-67	-177	-60.9	105.6	-2.5	115.6	E27 H28 R46 V49 Y50 S234 T237 T238	E27-R241 IonicContact OE2-CZ 2.68Å; E27-R241 VanDerWaalsContact OE2-CZ 3.26Å; E27-R241 IonicContact OE2-NH1 3.07Å; E27-R241 PolarHBondContact OE2-NH1 2.88Å; E27-R241 IonicContact OE2-NH2 3.06Å; E27-R241 PolarHBondContact OE2-NH2 3.27Å; H28-R241 PolarHBondContact NE2-NH1 3.49Å; R46-R241 WeakPolarHBondContact CB-O 3.4Å; V49-R241 HydrophobicContact CB-CG 4.5Å; V49-R241 HydrophobicContact CG1-CG 4.32Å; Y50-R241 VanDerWaalsContact CD2-CD 3.44Å; Y50-R241 HydrophobicContact CD2-CG 3.65Å; Y50-R241 HydrophobicContact CE2-CG 3.87Å; S234-R241 PolarHBondContact O-NH2 2.83Å; S234-R241 PolarHBondContact OG-NH2 2.91Å; T237-R241 PolarHBondContact O-N 2.91Å; T237-R241 VanDerWaalsContact O-N 3.15Å; T237-R241 PolarHBondContact OG1-NE 3.01Å; T238-R241 PolarHBondContact O-N 2.84Å
242	F	88.6	Confident	83.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-127.9	149.3	-179.9	-62.9	-60.8	0	0	0	111.4	E27 H28 L42 R46 T238 G244 I356	E27-F242 HydrophobicContact CB-CE2 4.3Å; E27-F242 HydrophobicContact CB-CZ 3.95Å; H28-F242 AromaticContact CE1-CE1 3.54Å; H28-F242 AromaticContact CE1-CZ 3.73Å; H28-F242 AromaticContact ND1-CE1 3.72Å; H28-F242 AromaticContact NE2-CZ 3.98Å; L42-F242 WeakPolarHBondContact O-CD1 3.46Å; R46-F242 PolarHBondContact NH1-O 3.14Å; T238-F242 PolarHBondContact O-N 2.94Å; F242-G244 PolarHBondContact O-N 3.04Å; F242-I356 HydrophobicContact CB-CD1 4Å; F242-I356 HydrophobicContact CD1-CD1 3.33Å; F242-I356 HydrophobicContact CD2-CB 4.47Å; F242-I356 HydrophobicContact CD2-CD1 4.26Å; F242-I356 HydrophobicContact CE1-CD1 3.82Å; F242-I356 HydrophobicContact CE2-CG2 4.25Å; F242-I356 HydrophobicContact CG-CD1 3.6Å; F242-I356 HydrophobicContact CZ-CD1 4.44Å; F242-I356 HydrophobicContact CZ-CG2 4.34Å
243	P	77.2	Confident	83.4	Confident	34 Å²	34	30.1 Å²	30.1	22%	0.221	16%	0.158	C	C	.	.			trans	-57.7	130.8	169.1	27.3	-35.9	0	0	0	110.1	L42 E45	L42-P243 HydrophobicContact CD2-CG 3.73Å; E45-P243 WeakPolarHBondContact OE2-CG 3.28Å
244	G	68.6	Low	83.2	Confident	32 Å²	32	30.6 Å²	30.6	33%	0.33	16%	0.163	S	C	.	.			trans	-164.2	162.4	-177.3	0	0	0	0	0	110.4	F242	F242-G244 PolarHBondContact O-N 3.04Å
245	Q	61.1	Low	83.1	Confident	155 Å²	155	36 Å²	36	72%	0.724	20%	0.195	S	C	*	.	S	Bend	trans	-80.9	-20.5	-165.7	-67.5	-168.1	-11.1	0	0	115.2	M323	Q245-M323 PolarHBondContact OE1-SD 3.09Å; Q245-M323 VanDerWaalsContact OE1-SD 3.33Å
246	L	53.2	Low	83	Confident	74 Å²	74	38.5 Å²	38.5	39%	0.387	21%	0.209	S	C	.	.	S	Bend	trans	-136.8	143.8	-176.2	-130.2	91.2	0	0	0	114	A352	L246-A352 HydrophobicContact CB-CB 4.36Å
247	N	57.9	Low	83	Confident	33 Å²	33	38.3 Å²	38.3	18%	0.176	21%	0.207	C	C	.	.			trans	66.4	70.6	171.5	-57.6	-20.5	0	0	0	117	D249	N247-D249 PolarHBondContact O-N 2.87Å; N247-D249 VanDerWaalsContact O-N 3.09Å
248	A	69.8	Low	83.2	Confident	44 Å²	44	39.5 Å²	39.5	36%	0.364	21%	0.214	S	C	.	.			trans	-75.4	11.1	-174.7	0	0	0	0	0	116.3
249	D	84.5	Confident	83.4	Confident	6 Å²	6	41.8 Å²	41.8	3%	0.032	23%	0.229	C	C	.	.	S	Bend	trans	-164.6	155.4	177.2	60.8	92.1	0	0	0	114.1	R2 Q131 L240 N247 R251 K252 L253	R2-D249 IonicContact CZ-OD2 3.95Å; R2-D249 VanDerWaalsContact NH1-CB 3.34Å; R2-D249 IonicContact NH1-OD2 3.92Å; R2-D249 PolarHBondContact NH1-OD2 2.87Å; R2-D249 IonicContact NH2-OD2 3.71Å; Q131-D249 HydrophobicContact CG-CB 4.39Å; L240-D249 VanDerWaalsContact CD2-CA 3.47Å; N247-D249 PolarHBondContact O-N 2.87Å; N247-D249 VanDerWaalsContact O-N 3.09Å; D249-R251 VanDerWaalsContact C-N 3.31Å; D249-R251 PolarHBondContact O-N 2.8Å; D249-R251 WeakPolarHBondContact OD1-CA 3.43Å; D249-R251 VanDerWaalsContact OD1-CB 3.29Å; D249-R251 WeakPolarHBondContact OD1-CB 3.39Å; D249-R251 PolarHBondContact OD1-N 2.83Å; D249-R251 VanDerWaalsContact OD1-N 3.09Å; D249-K252 PolarHBondContact O-N 2.92Å; D249-K252 WeakPolarHBondContact OD1-CG 3.33Å; D249-K252 PolarHBondContact OD1-N 3.15Å; D249-K252 WeakPolarHBondContact OD2-CD 3.09Å; D249-K252 WeakPolarHBondContact OD2-CE 3.35Å; D249-K252 VanDerWaalsContact OD2-CG 3.28Å; D249-K252 WeakPolarHBondContact OD2-CG 3.46Å; D249-K252 IonicContact OD2-NZ 3.97Å; D249-L253 PolarHBondContact O-N 2.53Å
250	L	88.6	Confident	83.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-55.5	-41	172.5	-72.2	168.8	0	0	0	112.3	I4 Q131 I163 N165 L240 K252 L253 A254	I4-L250 HydrophobicContact CD1-CD1 3.77Å; I4-L250 HydrophobicContact CD1-CG 4.27Å; I4-L250 HydrophobicContact CG1-CD1 4.04Å; Q131-L250 VanDerWaalsContact CD-N 3.27Å; Q131-L250 HydrophobicContact CG-CB 4.09Å; Q131-L250 HydrophobicContact CG-CD1 4.35Å; Q131-L250 HydrophobicContact CG-CG 4.49Å; Q131-L250 VanDerWaalsContact OE1-CB 3.27Å; I163-L250 HydrophobicContact CB-CB 4.13Å; I163-L250 HydrophobicContact CG1-CB 4.21Å; I163-L250 HydrophobicContact CG2-CB 3.91Å; I163-L250 HydrophobicContact CG2-CD1 4.29Å; N165-L250 HydrophobicContact CB-CD2 4.48Å; L240-L250 HydrophobicContact CD1-CD2 4.07Å; L240-L250 HydrophobicContact CD1-CG 3.95Å; L250-K252 VanDerWaalsContact C-N 3.31Å; L250-K252 PolarHBondContact O-N 3.29Å; L250-L253 CarbonylContact O-C 3.55Å; L250-L253 WeakPolarHBondContact O-CA 3.29Å; L250-L253 WeakPolarHBondContact O-CB 3.29Å; L250-L253 PolarHBondContact O-N 3.25Å; L250-A254 PolarHBondContact O-N 2.84Å
251	R	92	Very high	84.1	Confident	114 Å²	114	46.7 Å²	46.7	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-39.9	-178.4	178.7	176.6	-58.6	-69.2	-4	112.1	D161 I163 D249 L253 A254 V255	D161-R251 PolarHBondContact O-NH2 3.07Å; I163-R251 HydrophobicContact CD1-CB 4.05Å; I163-R251 HydrophobicContact CD1-CG 4.36Å; I163-R251 HydrophobicContact CG1-CB 3.9Å; D249-R251 VanDerWaalsContact C-N 3.31Å; D249-R251 PolarHBondContact O-N 2.8Å; D249-R251 WeakPolarHBondContact OD1-CA 3.43Å; D249-R251 VanDerWaalsContact OD1-CB 3.29Å; D249-R251 WeakPolarHBondContact OD1-CB 3.39Å; D249-R251 PolarHBondContact OD1-N 2.83Å; D249-R251 VanDerWaalsContact OD1-N 3.09Å; R251-L253 VanDerWaalsContact C-N 3.33Å; R251-A254 PolarHBondContact O-N 2.98Å; R251-V255 VanDerWaalsContact O-CG2 3.29Å; R251-V255 WeakPolarHBondContact O-CG2 3.28Å; R251-V255 PolarHBondContact O-N 2.9Å
252	K	90.2	Very high	84.3	Confident	101 Å²	101	49.5 Å²	49.5	44%	0.439	27%	0.27	S	S	.	.	H	α-helix	trans	-67	-34.9	172.6	-75.6	-179.1	-171.2	178.9	0	112	D249 L250 N256	D249-K252 PolarHBondContact O-N 2.92Å; D249-K252 WeakPolarHBondContact OD1-CG 3.33Å; D249-K252 PolarHBondContact OD1-N 3.15Å; D249-K252 WeakPolarHBondContact OD2-CD 3.09Å; D249-K252 WeakPolarHBondContact OD2-CE 3.35Å; D249-K252 VanDerWaalsContact OD2-CG 3.28Å; D249-K252 WeakPolarHBondContact OD2-CG 3.46Å; D249-K252 IonicContact OD2-NZ 3.97Å; L250-K252 VanDerWaalsContact C-N 3.31Å; L250-K252 PolarHBondContact O-N 3.29Å; K252-N256 WeakPolarHBondContact O-CB 3.49Å; K252-N256 PolarHBondContact O-N 2.86Å; K252-N256 VanDerWaalsContact O-N 3.12Å; K252-N256 PolarHBondContact O-ND2 3.25Å
253	L	90.4	Very high	84.7	Confident	13 Å²	13	49.5 Å²	49.5	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-52.3	173.9	-176.1	61.7	0	0	0	109.7	Y200 V236 D249 L250 R251 V255 N256 M257 I368	Y200-L253 VanDerWaalsContact OH-CD2 3.24Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.42Å; V236-L253 HydrophobicContact CG1-CD2 4.37Å; D249-L253 PolarHBondContact O-N 2.53Å; L250-L253 CarbonylContact O-C 3.55Å; L250-L253 WeakPolarHBondContact O-CA 3.29Å; L250-L253 WeakPolarHBondContact O-CB 3.29Å; L250-L253 PolarHBondContact O-N 3.25Å; R251-L253 VanDerWaalsContact C-N 3.33Å; L253-V255 PolarHBondContact O-N 3.22Å; L253-N256 PolarHBondContact O-N 2.86Å; L253-N256 VanDerWaalsContact O-N 3.16Å; L253-M257 HydrophobicContact CD1-CG 3.7Å; L253-M257 HydrophobicContact CG-CG 4.26Å; L253-M257 VanDerWaalsContact O-CB 3.26Å; L253-M257 WeakPolarHBondContact O-CB 3.38Å; L253-M257 VanDerWaalsContact O-CG 3.24Å; L253-M257 WeakPolarHBondContact O-CG 3.13Å; L253-M257 PolarHBondContact O-N 3.29Å; L253-I368 HydrophobicContact CD1-CD1 4.45Å; L253-I368 HydrophobicContact CD2-CD1 4.41Å
254	A	92.9	Very high	85.7	Confident	11 Å²	11	48 Å²	48	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-52	-54	174.1	0	0	0	0	0	112.7	I163 E198 L250 R251 N256 M257 V258	I163-A254 HydrophobicContact CD1-CB 4.32Å; E198-A254 HydrophobicContact CG-CB 4.06Å; E198-A254 WeakPolarHBondContact OE1-CB 3.38Å; E198-A254 PolarHBondContact OE1-N 2.97Å; L250-A254 PolarHBondContact O-N 2.84Å; R251-A254 PolarHBondContact O-N 2.98Å; A254-N256 PolarHBondContact O-N 3.28Å; A254-M257 PolarHBondContact O-N 3.17Å; A254-V258 WeakPolarHBondContact O-CB 3.41Å; A254-V258 PolarHBondContact O-N 2.8Å
255	V	92.6	Very high	87.1	Confident	112 Å²	112	46.5 Å²	46.5	68%	0.679	25%	0.245	S	C	*	.	H	α-helix	trans	-58.5	-34.3	-179.9	169.1	0	0	0	0	112.8	R251 L253	R251-V255 VanDerWaalsContact O-CG2 3.29Å; R251-V255 WeakPolarHBondContact O-CG2 3.28Å; R251-V255 PolarHBondContact O-N 2.9Å; L253-V255 PolarHBondContact O-N 3.22Å
256	N	91.5	Very high	88.9	Confident	54 Å²	54	39.1 Å²	39.1	29%	0.289	21%	0.21	S	C	.	.	H	α-helix	trans	-82.6	-24.3	179.1	-75.9	-56.8	0	0	0	113.4	K252 L253 A254 K350	K252-N256 WeakPolarHBondContact O-CB 3.49Å; K252-N256 PolarHBondContact O-N 2.86Å; K252-N256 VanDerWaalsContact O-N 3.12Å; K252-N256 PolarHBondContact O-ND2 3.25Å; L253-N256 PolarHBondContact O-N 2.86Å; L253-N256 VanDerWaalsContact O-N 3.16Å; A254-N256 PolarHBondContact O-N 3.28Å; N256-K350 HydrophobicContact CB-CG 4.4Å
257	M	94.4	Very high	90.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-105.9	-22.3	-170.4	-67.5	-59.5	-62.3	0	0	113.2	L253 A254 P259 F266 T312 A314 I368 N370	L253-M257 HydrophobicContact CD1-CG 3.7Å; L253-M257 HydrophobicContact CG-CG 4.26Å; L253-M257 VanDerWaalsContact O-CB 3.26Å; L253-M257 WeakPolarHBondContact O-CB 3.38Å; L253-M257 VanDerWaalsContact O-CG 3.24Å; L253-M257 WeakPolarHBondContact O-CG 3.13Å; L253-M257 PolarHBondContact O-N 3.29Å; A254-M257 PolarHBondContact O-N 3.17Å; M257-P259 VanDerWaalsContact O-CD 3.3Å; M257-P259 WeakPolarHBondContact O-CD 3.25Å; M257-F266 HydrophobicContact CB-CE1 3.78Å; M257-F266 HydrophobicContact CB-CZ 3.63Å; M257-T312 WeakPolarHBondContact CA-OG1 3.44Å; M257-T312 WeakPolarHBondContact CE-OG1 3.25Å; M257-T312 PolarHBondContact O-OG1 3.34Å; M257-A314 HydrophobicContact CE-CB 4.05Å; M257-A314 HydrophobicContact SD-CB 3.58Å; M257-A314 VanDerWaalsContact SD-CB 3.58Å; M257-I368 HydrophobicContact CE-CB 4.22Å; M257-I368 HydrophobicContact CE-CG2 3.91Å; M257-I368 WeakPolarHBondContact CE-O 3.47Å; M257-N370 PolarHBondContact O-ND2 2.68Å
258	V	96	Very high	92.8	Very high	25 Å²	25	34 Å²	34	15%	0.152	18%	0.184	C	C	.	.			trans	-115.9	91.3	-173.9	-174.1	0	0	0	0	108.9	A254 F260 H264 F266	A254-V258 WeakPolarHBondContact O-CB 3.41Å; A254-V258 PolarHBondContact O-N 2.8Å; V258-F260 VanDerWaalsContact C-N 3.33Å; V258-F260 WeakPolarHBondContact CG1-O 3.29Å; V258-H264 HydrophobicContact CG1-CB 3.92Å; V258-H264 HydrophobicContact CG2-CB 3.93Å; V258-F266 HydrophobicContact CG2-CE1 3.95Å; V258-F266 HydrophobicContact CG2-CZ 3.52Å
259	P	94.4	Very high	94	Very high	48 Å²	48	32 Å²	32	31%	0.312	17%	0.167	S	C	.	.	S	Bend	trans	-69.8	-31.8	176.7	26.9	-32.8	0	0	0	112.3	M257 L311 I345	M257-P259 VanDerWaalsContact O-CD 3.3Å; M257-P259 WeakPolarHBondContact O-CD 3.25Å; P259-L311 HydrophobicContact CG-CB 4.19Å; P259-L311 HydrophobicContact CG-CD1 4.22Å; P259-I345 HydrophobicContact CB-CD1 3.81Å; P259-I345 HydrophobicContact CG-CD1 3.71Å
260	F	95.6	Very high	94.5	Very high	22 Å²	22	32.5 Å²	32.5	10%	0.096	17%	0.169	C	C	.	.	S	Bend	trans	-125.5	131.9	179	-55.1	-76.2	0	0	0	109.7	V258 R262 L263 W344 Y425 L440	V258-F260 VanDerWaalsContact C-N 3.33Å; V258-F260 WeakPolarHBondContact CG1-O 3.29Å; F260-R262 VanDerWaalsContact C-N 3.28Å; F260-R262 PolarHBondContact O-N 2.93Å; F260-R262 VanDerWaalsContact O-N 3.12Å; F260-L263 HydrophobicContact CB-CB 4.33Å; F260-L263 HydrophobicContact CB-CD1 4.44Å; F260-L263 HydrophobicContact CB-CG 4.05Å; F260-L263 HydrophobicContact CD2-CD1 4.08Å; F260-L263 PolarHBondContact O-N 3.23Å; F260-W344 AromaticContact CE2-CH2 3.67Å; F260-W344 HydrophobicContact CE2-CH2 3.67Å; F260-W344 AromaticContact CE2-CZ3 3.77Å; F260-W344 HydrophobicContact CE2-CZ3 3.77Å; F260-W344 HydrophobicContact CZ-CH2 4.11Å; F260-W344 AromaticContact CZ-CZ3 3.86Å; F260-W344 HydrophobicContact CZ-CZ3 3.86Å; F260-Y425 HydrophobicContact CD1-CE1 4.01Å; F260-Y425 HydrophobicContact CD1-CE2 4.37Å; F260-Y425 AromaticContact CD1-CZ 3.66Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.41Å; F260-Y425 HydrophobicContact CD2-CD1 4.21Å; F260-Y425 HydrophobicContact CD2-CD2 4.31Å; F260-Y425 HydrophobicContact CD2-CE1 4Å; F260-Y425 HydrophobicContact CD2-CE2 4.09Å; F260-Y425 HydrophobicContact CD2-CG 4.36Å; F260-Y425 AromaticContact CD2-CZ 3.93Å; F260-Y425 HydrophobicContact CE1-CD1 4.38Å; F260-Y425 AromaticContact CE1-CE1 3.46Å; F260-Y425 HydrophobicContact CE1-CE1 3.46Å; F260-Y425 VanDerWaalsContact CE1-CE1 3.46Å; F260-Y425 AromaticContact CE1-CZ 3.6Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.35Å; F260-Y425 AromaticContact CE2-CD1 3.59Å; F260-Y425 HydrophobicContact CE2-CD1 3.59Å; F260-Y425 HydrophobicContact CE2-CD2 4.47Å; F260-Y425 AromaticContact CE2-CE1 3.49Å; F260-Y425 HydrophobicContact CE2-CE1 3.49Å; F260-Y425 VanDerWaalsContact CE2-CE1 3.49Å; F260-Y425 HydrophobicContact CE2-CE2 4.38Å; F260-Y425 HydrophobicContact CE2-CG 4.1Å; F260-Y425 AromaticContact CE2-CZ 3.91Å; F260-Y425 HydrophobicContact CG-CE1 4.25Å; F260-Y425 HydrophobicContact CG-CE2 4.1Å; F260-Y425 AromaticContact CG-CZ 3.82Å; F260-Y425 AromaticContact CZ-CD1 3.68Å; F260-Y425 HydrophobicContact CZ-CD1 3.68Å; F260-Y425 AromaticContact CZ-CE1 3.18Å; F260-Y425 HydrophobicContact CZ-CE1 3.18Å; F260-Y425 AromaticContact CZ-CZ 3.74Å; F260-L440 HydrophobicContact CD1-CD1 4.29Å; F260-L440 HydrophobicContact CE1-CD1 4.03Å
261	P	94.3	Very high	94.9	Very high	102 Å²	102	32.5 Å²	32.5	66%	0.662	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-42.5	-172.5	-30.7	35.6	0	0	0	114.2	L263 H264	P261-L263 VanDerWaalsContact C-N 3.32Å; P261-L263 PolarHBondContact O-N 2.98Å; P261-H264 PolarHBondContact O-CD2 3Å
262	R	97	Very high	95	Very high	59 Å²	59	27.7 Å²	27.7	22%	0.223	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.6	-178.2	-69.8	172.1	57.6	96.9	-5.3	113.9	V193 E194 F260 H264 N414 L418 E421	V193-R262 HydrophobicContact CG1-CG 4.13Å; E194-R262 IonicContact OE1-NH1 2.67Å; E194-R262 PolarHBondContact OE1-NH1 3.03Å; F260-R262 VanDerWaalsContact C-N 3.28Å; F260-R262 PolarHBondContact O-N 2.93Å; F260-R262 VanDerWaalsContact O-N 3.12Å; R262-H264 VanDerWaalsContact C-N 3.31Å; R262-H264 PolarHBondContact O-N 3.1Å; R262-N414 PolarHBondContact NH1-OD1 3.01Å; R262-N414 PolarHBondContact NH2-OD1 3.26Å; R262-L418 HydrophobicContact CB-CD1 4.3Å; R262-L418 WeakPolarHBondContact O-CD1 3.34Å; R262-E421 WeakPolarHBondContact CB-OE2 3.44Å; R262-E421 WeakPolarHBondContact CD-OE2 3.29Å; R262-E421 IonicContact CZ-OE1 3.56Å; R262-E421 VanDerWaalsContact NE-CD 3.32Å; R262-E421 IonicContact NE-OE1 3.34Å; R262-E421 PolarHBondContact NE-OE1 3.03Å; R262-E421 IonicContact NE-OE2 3.19Å; R262-E421 PolarHBondContact NE-OE2 3.09Å; R262-E421 VanDerWaalsContact NE-OE2 3.13Å; R262-E421 IonicContact NH2-OE1 2.93Å; R262-E421 PolarHBondContact NH2-OE1 2.92Å
263	L	97.5	Very high	95.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.			trans	-95.8	51.3	-178	-51.3	-162.4	0	0	0	111.4	F260 P261 L311 N370 L418 E421 Y422 Y425	F260-L263 HydrophobicContact CB-CB 4.33Å; F260-L263 HydrophobicContact CB-CD1 4.44Å; F260-L263 HydrophobicContact CB-CG 4.05Å; F260-L263 HydrophobicContact CD2-CD1 4.08Å; F260-L263 PolarHBondContact O-N 3.23Å; P261-L263 VanDerWaalsContact C-N 3.32Å; P261-L263 PolarHBondContact O-N 2.98Å; L263-L311 HydrophobicContact CB-CD1 4.23Å; L263-L311 HydrophobicContact CD1-CD1 3.69Å; L263-N370 PolarHBondContact O-ND2 3.06Å; L263-L418 HydrophobicContact CD2-CD1 3.96Å; L263-E421 HydrophobicContact CD2-CB 4.23Å; L263-Y422 WeakPolarHBondContact CA-OH 3.49Å; L263-Y422 HydrophobicContact CB-CE1 3.79Å; L263-Y422 HydrophobicContact CD1-CD1 3.79Å; L263-Y422 HydrophobicContact CD1-CE1 3.84Å; L263-Y422 HydrophobicContact CD1-CG 4.48Å; L263-Y422 HydrophobicContact CD2-CD1 3.88Å; L263-Y422 HydrophobicContact CD2-CD2 3.88Å; L263-Y422 HydrophobicContact CD2-CE1 3.73Å; L263-Y422 HydrophobicContact CD2-CE2 3.68Å; L263-Y422 HydrophobicContact CD2-CG 3.96Å; L263-Y422 HydrophobicContact CG-CD1 4.28Å; L263-Y422 HydrophobicContact CG-CE1 3.97Å; L263-Y425 HydrophobicContact CD1-CD2 3.58Å; L263-Y425 HydrophobicContact CD1-CE2 4.11Å; L263-Y425 HydrophobicContact CD1-CG 4.3Å
264	H	97.7	Very high	95	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.014	14%	0.135	C	C	.	.			trans	-98.9	13.7	-177.5	60.2	54.4	0	0	0	114.4	L192 V193 T196 D197 T199 V258 P261 R262	L192-H264 PolarHBondContact O-CE1 3.32Å; L192-H264 PolarHBondContact O-NE2 3.12Å; V193-H264 PolarHBondContact O-NE2 2.86Å; T196-H264 PolarHBondContact O-CD2 3.31Å; T196-H264 PolarHBondContact O-NE2 3.24Å; T196-H264 VanDerWaalsContact O-NE2 3.15Å; T196-H264 PolarHBondContact OG1-CE1 3.04Å; D197-H264 VanDerWaalsContact O-CB 3.28Å; D197-H264 WeakPolarHBondContact O-CB 3.43Å; T199-H264 PolarHBondContact N-O 3.24Å; V258-H264 HydrophobicContact CG1-CB 3.92Å; V258-H264 HydrophobicContact CG2-CB 3.93Å; P261-H264 PolarHBondContact O-CD2 3Å; R262-H264 VanDerWaalsContact C-N 3.31Å; R262-H264 PolarHBondContact O-N 3.1Å
265	F	98.2	Very high	94.7	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.3	-178.7	-62.9	-94.5	0	0	0	111.1	V189 L192 V193 T199 I374 F378 L418	V189-F265 HydrophobicContact CG1-CZ 4.4Å; L192-F265 HydrophobicContact CB-CE1 4.18Å; L192-F265 HydrophobicContact CB-CZ 4.19Å; V193-F265 HydrophobicContact CG2-CE2 3.83Å; V193-F265 HydrophobicContact CG2-CZ 3.74Å; T199-F265 HydrophobicContact CG2-CD1 3.47Å; T199-F265 VanDerWaalsContact CG2-CD1 3.47Å; T199-F265 HydrophobicContact CG2-CE1 3.68Å; T199-F265 CarbonylContact O-C 3.49Å; T199-F265 WeakPolarHBondContact O-CA 3.31Å; F265-I374 HydrophobicContact CB-CG1 4.11Å; F265-F378 HydrophobicContact CB-CZ 4.05Å; F265-F378 HydrophobicContact CD1-CE1 4.25Å; F265-F378 AromaticContact CD1-CZ 3.65Å; F265-F378 HydrophobicContact CD1-CZ 3.65Å; F265-F378 HydrophobicContact CD2-CE2 4.36Å; F265-F378 AromaticContact CD2-CZ 3.96Å; F265-F378 HydrophobicContact CD2-CZ 3.96Å; F265-F378 HydrophobicContact CE1-CE1 4.3Å; F265-F378 HydrophobicContact CE1-CZ 4Å; F265-F378 HydrophobicContact CE2-CZ 4.29Å; F265-F378 HydrophobicContact CG-CE2 4.3Å; F265-F378 AromaticContact CG-CZ 3.61Å; F265-F378 HydrophobicContact CG-CZ 3.61Å; F265-F378 HydrophobicContact CZ-CZ 4.31Å; F265-L418 HydrophobicContact CD2-CD2 4.36Å; F265-L418 HydrophobicContact CE2-CD1 4.42Å; F265-L418 HydrophobicContact CE2-CD2 3.85Å; F265-L418 HydrophobicContact CZ-CD2 4.37Å
266	F	97.4	Very high	94.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	144.9	-175.8	-54.7	-44.1	0	0	0	112.4	E198 T199 Y200 C201 M257 V258 P268 I368 N370	E198-F266 HydrophobicContact CB-CD2 4.47Å; E198-F266 HydrophobicContact CB-CE2 3.76Å; E198-F266 HydrophobicContact CG-CE2 3.86Å; E198-F266 HydrophobicContact CG-CZ 4.42Å; T199-F266 PolarHBondContact O-N 3.23Å; Y200-F266 HydrophobicContact CD1-CB 4.13Å; Y200-F266 HydrophobicContact CD1-CD2 4.1Å; Y200-F266 HydrophobicContact CD2-CD2 4.37Å; Y200-F266 HydrophobicContact CE1-CB 4.41Å; Y200-F266 AromaticContact CE1-CD2 3.79Å; Y200-F266 HydrophobicContact CE1-CD2 3.79Å; Y200-F266 HydrophobicContact CE2-CD2 4.03Å; Y200-F266 HydrophobicContact CE2-CE2 4.41Å; Y200-F266 HydrophobicContact CG-CD2 4.38Å; Y200-F266 AromaticContact CZ-CD2 3.73Å; C201-F266 PolarHBondContact N-O 3.03Å; M257-F266 HydrophobicContact CB-CE1 3.78Å; M257-F266 HydrophobicContact CB-CZ 3.63Å; V258-F266 HydrophobicContact CG2-CE1 3.95Å; V258-F266 HydrophobicContact CG2-CZ 3.52Å; F266-P268 VanDerWaalsContact O-CD 3.3Å; F266-P268 WeakPolarHBondContact O-CD 3.33Å; F266-I368 HydrophobicContact CB-CG2 3.75Å; F266-I368 HydrophobicContact CD1-CG2 4.22Å; F266-I368 HydrophobicContact CD2-CG2 3.94Å; F266-I368 HydrophobicContact CG-CG2 3.71Å; F266-N370 HydrophobicContact CD1-CB 3.85Å; F266-N370 HydrophobicContact CE1-CB 3.95Å
267	M	96.1	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	103.8	166.1	-59.9	-176.4	-52.6	0	0	108.9	A301 C303 P305 Y310 G369 I374	M267-A301 HydrophobicContact CB-CB 4.26Å; M267-A301 HydrophobicContact CG-CB 3.95Å; M267-C303 HydrophobicContact SD-CB 3.8Å; M267-P305 HydrophobicContact CE-CB 4.43Å; M267-P305 HydrophobicContact CE-CG 4.08Å; M267-Y310 HydrophobicContact CE-CE1 3.97Å; M267-G369 PolarHBondContact N-O 3.4Å; M267-G369 PolarHBondContact O-N 2.6Å; M267-I374 HydrophobicContact CG-CD1 3.77Å
268	P	96.7	Very high	93	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	157.7	177.6	30.6	-27.8	0	0	0	111.7	Y200 C201 I202 T232 F266 M300 F367	Y200-P268 HydrophobicContact CD1-CB 4.3Å; C201-P268 WeakPolarHBondContact O-CD 3.44Å; I202-P268 HydrophobicContact CG1-CG 4.3Å; T232-P268 HydrophobicContact CG2-CB 3.62Å; T232-P268 HydrophobicContact CG2-CG 4.41Å; F266-P268 VanDerWaalsContact O-CD 3.3Å; F266-P268 WeakPolarHBondContact O-CD 3.33Å; P268-M300 HydrophobicContact CG-CB 4.18Å; P268-M300 WeakPolarHBondContact O-CB 3.33Å; P268-M300 PolarHBondContact O-N 2.85Å; P268-F367 CarbonylContact C-O 3.55Å; P268-F367 VanDerWaalsContact CA-O 3.28Å; P268-F367 WeakPolarHBondContact CA-O 3.38Å
269	G	95.5	Very high	92.2	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	161.4	172.6	0	0	0	0	0	111.4	T366 F367	G269-T366 WeakPolarHBondContact O-CA 3.33Å; G269-F367 PolarHBondContact N-O 3.41Å; G269-F367 PolarHBondContact O-N 3.12Å
270	F	96.1	Very high	91.4	Very high	15 Å²	15	39.3 Å²	39.3	7%	0.066	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.6	177.3	-178.1	-92.3	0	0	0	109.9	A231 L273 M300 L361	A231-F270 HydrophobicContact CB-CD2 4.09Å; A231-F270 HydrophobicContact CB-CE2 3.94Å; A231-F270 HydrophobicContact CB-CG 4.46Å; A231-F270 HydrophobicContact CB-CZ 4.17Å; F270-L273 HydrophobicContact CD1-CD2 4.34Å; F270-L273 VanDerWaalsContact O-CD1 3.32Å; F270-L273 WeakPolarHBondContact O-CD1 3.45Å; F270-L273 VanDerWaalsContact O-CG 3.26Å; F270-L273 WeakPolarHBondContact O-CG 3.46Å; F270-M300 HydrophobicContact CB-CE 3.85Å; F270-L361 HydrophobicContact CE1-CD1 4.28Å; F270-L361 HydrophobicContact CZ-CD1 3.85Å
271	A	96.1	Very high	90.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.5	168.5	0	0	0	0	0	109.9	L289 Q292 S364 V365	A271-L289 HydrophobicContact CB-CD2 4.11Å; A271-Q292 HydrophobicContact CB-CB 3.72Å; A271-S364 CarbonylContact O-C 3.57Å; A271-S364 VanDerWaalsContact O-CA 3.23Å; A271-S364 WeakPolarHBondContact O-CA 3.42Å; A271-S364 VanDerWaalsContact O-CB 3.28Å; A271-S364 WeakPolarHBondContact O-CB 3.26Å; A271-V365 HydrophobicContact CB-CG1 3.76Å; A271-V365 PolarHBondContact N-O 2.92Å; A271-V365 PolarHBondContact O-N 3.27Å
272	P	95	Very high	89.7	Confident	14 Å²	14	48.8 Å²	48.8	9%	0.091	23%	0.23	C	C	.	.			cis	-83.6	142.2	9.2	33.4	-35.6	0	0	0	113.9	L284 L289 L361	P272-L284 HydrophobicContact CB-CD1 4.48Å; P272-L284 HydrophobicContact CB-CD2 3.53Å; P272-L284 HydrophobicContact CG-CD1 3.81Å; P272-L284 HydrophobicContact CG-CD2 3.81Å; P272-L284 HydrophobicContact CG-CG 4.48Å; P272-L289 HydrophobicContact CB-CD2 3.89Å; P272-L289 HydrophobicContact CG-CD2 4.25Å; P272-L361 HydrophobicContact CG-CD2 4.36Å
273	L	92.7	Very high	89.1	Confident	9 Å²	9	50.6 Å²	50.6	5%	0.047	25%	0.252	C	S	.	.			trans	-106	87.3	167.5	-66.7	169.3	0	0	0	108.7	I210 T214 L215 L228 F270 N298	I210-L273 HydrophobicContact CD1-CD1 4.47Å; I210-L273 HydrophobicContact CG2-CD1 3.8Å; I210-L273 HydrophobicContact CG2-CD2 3.86Å; I210-L273 HydrophobicContact CG2-CG 4.36Å; T214-L273 HydrophobicContact CG2-CB 3.71Å; T214-L273 WeakPolarHBondContact CG2-O 3.37Å; L215-L273 HydrophobicContact CD2-CB 4.24Å; L215-L273 HydrophobicContact CD2-CD2 4.31Å; L228-L273 HydrophobicContact CD2-CD2 3.58Å; F270-L273 HydrophobicContact CD1-CD2 4.34Å; F270-L273 VanDerWaalsContact O-CD1 3.32Å; F270-L273 WeakPolarHBondContact O-CD1 3.45Å; F270-L273 VanDerWaalsContact O-CG 3.26Å; F270-L273 WeakPolarHBondContact O-CG 3.46Å; L273-N298 HydrophobicContact CD1-CB 3.65Å; L273-N298 WeakPolarHBondContact CD1-OD1 3.43Å
274	T	88.3	Confident	88.7	Confident	15 Å²	15	52.9 Å²	52.9	9%	0.092	26%	0.263	C	S	.	.			trans	-123.7	126.7	-177.5	-58.7	0	0	0	0	110.6	Q279	T274-Q279 HydrophobicContact CG2-CG 3.9Å; T274-Q279 PolarHBondContact O-NE2 3.12Å
275	S	86.6	Confident	88.5	Confident	13 Å²	13	55.3 Å²	55.3	9%	0.091	28%	0.278	C	S	.	.			trans	-53.7	143.5	174.8	68.3	0	0	0	0	112	L215 G277 S278 Q279	L215-S275 VanDerWaalsContact O-CB 3.28Å; L215-S275 WeakPolarHBondContact O-CB 3.21Å; S275-G277 VanDerWaalsContact C-N 3.27Å; S275-G277 PolarHBondContact O-N 2.99Å; S275-G277 VanDerWaalsContact O-N 3.13Å; S275-S278 PolarHBondContact O-N 2.94Å; S275-S278 WeakPolarHBondContact OG-CB 3.26Å; S275-S278 PolarHBondContact OG-OG 3.32Å; S275-Q279 PolarHBondContact O-N 3.35Å
276	R	80.6	Confident	88.4	Confident	189 Å²	189	55.3 Å²	55.3	71%	0.713	28%	0.279	S	S	*	.	H	α-helix	trans	-50	-43.1	-177.5	-65.8	-177.1	-178	177.3	3.2	113.6	S278 Q279	R276-S278 VanDerWaalsContact C-N 3.26Å; R276-S278 PolarHBondContact O-N 3.47Å; R276-Q279 PolarHBondContact O-N 3.04Å
277	G	79.4	Confident	88.3	Confident	61 Å²	61	57.5 Å²	57.5	63%	0.629	29%	0.293	S	S	*	.	H	α-helix	trans	-68.9	-19.1	180	0	0	0	0	0	115	S275 Y281	S275-G277 VanDerWaalsContact C-N 3.27Å; S275-G277 PolarHBondContact O-N 2.99Å; S275-G277 VanDerWaalsContact O-N 3.13Å; G277-Y281 WeakPolarHBondContact O-CD2 3.35Å; G277-Y281 VanDerWaalsContact O-CE2 3.32Å; G277-Y281 WeakPolarHBondContact O-CE2 3.49Å
278	S	82.3	Confident	88.2	Confident	39 Å²	39	59 Å²	59	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-99.8	-15.8	-179.3	-53.4	0	0	0	0	113.2	S275 R276 Q280 Y281 R282	S275-S278 PolarHBondContact O-N 2.94Å; S275-S278 WeakPolarHBondContact OG-CB 3.26Å; S275-S278 PolarHBondContact OG-OG 3.32Å; R276-S278 VanDerWaalsContact C-N 3.26Å; R276-S278 PolarHBondContact O-N 3.47Å; S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.48Å; S278-Y281 PolarHBondContact O-N 3.06Å; S278-Y281 VanDerWaalsContact O-N 3.1Å; S278-R282 PolarHBondContact O-N 2.96Å
279	Q	78.4	Confident	88.1	Confident	106 Å²	106	59 Å²	59	50%	0.495	30%	0.3	S	S	.	.	H	α-helix	trans	-59	-37.4	-175.3	-75.5	-179.8	-10.7	0	0	113.1	T274 S275 R276 Y281	T274-Q279 HydrophobicContact CG2-CG 3.9Å; T274-Q279 PolarHBondContact O-NE2 3.12Å; S275-Q279 PolarHBondContact O-N 3.35Å; R276-Q279 PolarHBondContact O-N 3.04Å; Q279-Y281 PolarHBondContact O-N 3.42Å
280	Q	77.3	Confident	88.2	Confident	175 Å²	175	59 Å²	59	82%	0.818	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.5	-179.6	-65.2	-179.1	1.4	0	0	113.7	S278	S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.48Å
281	Y	78.3	Confident	88	Confident	192 Å²	192	65 Å²	65	75%	0.753	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-3.4	-173.8	-57.5	-77.1	0	0	0	113.4	G277 S278 Q279	G277-Y281 WeakPolarHBondContact O-CD2 3.35Å; G277-Y281 VanDerWaalsContact O-CE2 3.32Å; G277-Y281 WeakPolarHBondContact O-CE2 3.49Å; S278-Y281 PolarHBondContact O-N 3.06Å; S278-Y281 VanDerWaalsContact O-N 3.1Å; Q279-Y281 PolarHBondContact O-N 3.42Å
282	R	77.4	Confident	87.9	Confident	132 Å²	132	65.9 Å²	65.9	50%	0.498	33%	0.332	S	S	.	.			trans	-108.8	132.6	179.4	-77.9	-159.6	177.5	-177.6	3.8	111.9	S278 E288	S278-R282 PolarHBondContact O-N 2.96Å; R282-E288 VanDerWaalsContact CD-OE1 3.3Å; R282-E288 WeakPolarHBondContact CD-OE1 3.31Å; R282-E288 IonicContact CZ-OE1 3.41Å; R282-E288 IonicContact NE-OE1 3.27Å; R282-E288 IonicContact NH1-OE1 3.85Å; R282-E288 PolarHBondContact NH1-OE1 3.22Å
283	S	82.5	Confident	87.8	Confident	97 Å²	97	65.3 Å²	65.3	68%	0.678	33%	0.328	S	S	*	.			trans	-89.9	109.3	163.1	57.9	0	0	0	0	109
284	L	89.8	Confident	87.8	Confident	47 Å²	47	66.4 Å²	66.4	25%	0.246	33%	0.332	C	S	.	.			trans	-66	133.2	174.9	-64.2	170.3	0	0	0	110.5	P272 L289 M363	P272-L284 HydrophobicContact CB-CD1 4.48Å; P272-L284 HydrophobicContact CB-CD2 3.53Å; P272-L284 HydrophobicContact CG-CD1 3.81Å; P272-L284 HydrophobicContact CG-CD2 3.81Å; P272-L284 HydrophobicContact CG-CG 4.48Å; L284-L289 HydrophobicContact CD2-CD2 4.5Å; L284-M363 HydrophobicContact CB-CG 3.84Å; L284-M363 HydrophobicContact CB-SD 4.01Å; L284-M363 HydrophobicContact CD1-CG 4.4Å
285	T	94	Very high	87.9	Confident	54 Å²	54	68.8 Å²	68.8	33%	0.331	34%	0.344	S	S	.	.			trans	-134.8	161.6	177	66.6	0	0	0	0	110.7	E288 L289	T285-E288 PolarHBondContact O-N 3.26Å; T285-E288 PolarHBondContact OG1-N 3.14Å; T285-L289 WeakPolarHBondContact O-CG 3.43Å; T285-L289 PolarHBondContact O-N 3.09Å
286	V	95.7	Very high	88.1	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.012	35%	0.351	C	S	.	.	H	α-helix	trans	-57.5	-48.7	176.3	176.9	0	0	0	0	111.5	E288 L289 T290 F317 M321 E325 V326 Q329 M363	V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 PolarHBondContact O-N 3.06Å; V286-L289 PolarHBondContact O-N 2.67Å; V286-T290 PolarHBondContact O-N 3.38Å; V286-T290 PolarHBondContact O-OG1 2.73Å; V286-F317 HydrophobicContact CG1-CE1 4.08Å; V286-F317 HydrophobicContact CG1-CZ 4.43Å; V286-M321 HydrophobicContact CG2-CB 4.02Å; V286-M321 HydrophobicContact CG2-CG 4.36Å; V286-M321 HydrophobicContact CG2-SD 3.86Å; V286-E325 HydrophobicContact CB-CG 4.03Å; V286-E325 HydrophobicContact CG1-CG 4.31Å; V286-E325 HydrophobicContact CG2-CG 4.31Å; V286-V326 HydrophobicContact CG1-CB 4.4Å; V286-V326 HydrophobicContact CG1-CG2 3.83Å; V286-V326 HydrophobicContact CG2-CG2 4.13Å; V286-Q329 HydrophobicContact CG1-CB 4.18Å; V286-Q329 HydrophobicContact CG1-CG 4.02Å; V286-M363 HydrophobicContact CB-CE 4.47Å; V286-M363 HydrophobicContact CG2-CE 3.72Å
287	P	95.2	Very high	88.6	Confident	45 Å²	45	67.7 Å²	67.7	29%	0.292	35%	0.349	S	S	.	.	H	α-helix	trans	-56.8	-39.3	176.3	-23.8	31.2	0	0	0	114	Q291 Q329	P287-Q291 WeakPolarHBondContact O-CB 3.48Å; P287-Q291 PolarHBondContact O-N 3.15Å; P287-Q329 HydrophobicContact CB-CG 4.31Å; P287-Q329 HydrophobicContact CG-CG 3.87Å
288	E	93.8	Very high	89.2	Confident	33 Å²	33	65.2 Å²	65.2	15%	0.154	32%	0.321	C	S	.	.	H	α-helix	trans	-66.5	-43.7	178.3	-174.4	-176.6	179.1	0	0	111.5	R282 T285 V286 Q291 Q292	R282-E288 VanDerWaalsContact CD-OE1 3.3Å; R282-E288 WeakPolarHBondContact CD-OE1 3.31Å; R282-E288 IonicContact CZ-OE1 3.41Å; R282-E288 IonicContact NE-OE1 3.27Å; R282-E288 IonicContact NH1-OE1 3.85Å; R282-E288 PolarHBondContact NH1-OE1 3.22Å; T285-E288 PolarHBondContact O-N 3.26Å; T285-E288 PolarHBondContact OG1-N 3.14Å; V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 PolarHBondContact O-N 3.06Å; E288-Q291 PolarHBondContact O-N 2.7Å; E288-Q292 WeakPolarHBondContact O-CG 3.31Å; E288-Q292 PolarHBondContact O-N 3.05Å; E288-Q292 VanDerWaalsContact O-N 3.07Å; E288-Q292 PolarHBondContact OE1-NE2 2.85Å
289	L	96.1	Very high	89.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-48.6	176	-72	-168.9	0	0	0	111.3	A271 P272 L284 T285 V286 Q291 Q292 M293 F317 M363 V365	A271-L289 HydrophobicContact CB-CD2 4.11Å; P272-L289 HydrophobicContact CB-CD2 3.89Å; P272-L289 HydrophobicContact CG-CD2 4.25Å; L284-L289 HydrophobicContact CD2-CD2 4.5Å; T285-L289 WeakPolarHBondContact O-CG 3.43Å; T285-L289 PolarHBondContact O-N 3.09Å; V286-L289 PolarHBondContact O-N 2.67Å; L289-Q291 VanDerWaalsContact C-N 3.3Å; L289-Q291 PolarHBondContact O-N 3.39Å; L289-Q292 PolarHBondContact O-N 3.13Å; L289-Q292 VanDerWaalsContact O-N 3.13Å; L289-M293 WeakPolarHBondContact O-CG 3.31Å; L289-M293 PolarHBondContact O-N 3.47Å; L289-F317 HydrophobicContact CB-CE1 4.18Å; L289-F317 HydrophobicContact CD1-CD1 4.33Å; L289-F317 HydrophobicContact CD1-CE1 4.41Å; L289-M363 HydrophobicContact CD1-CB 4.29Å; L289-M363 HydrophobicContact CD1-CE 3.56Å; L289-M363 HydrophobicContact CD1-CG 3.98Å; L289-M363 HydrophobicContact CD1-SD 4.48Å; L289-M363 HydrophobicContact CG-CE 4.24Å; L289-V365 HydrophobicContact CB-CG1 3.76Å; L289-V365 HydrophobicContact CD1-CB 4.35Å; L289-V365 HydrophobicContact CD1-CG1 4.2Å; L289-V365 HydrophobicContact CD2-CG1 4.45Å; L289-V365 HydrophobicContact CG-CG1 4.37Å
290	T	95.5	Very high	90.5	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-40.9	178.5	-50.4	0	0	0	0	111.3	V286 Q292 M293 F294 Q329 M330 V333	V286-T290 PolarHBondContact O-N 3.38Å; V286-T290 PolarHBondContact O-OG1 2.73Å; T290-Q292 PolarHBondContact O-N 3.35Å; T290-M293 PolarHBondContact O-N 2.75Å; T290-F294 HydrophobicContact CG2-CD2 4.5Å; T290-F294 HydrophobicContact CG2-CE2 4.44Å; T290-F294 WeakPolarHBondContact O-CD2 3.47Å; T290-Q329 HydrophobicContact CG2-CB 4.46Å; T290-M330 HydrophobicContact CG2-SD 3.69Å; T290-V333 HydrophobicContact CG2-CB 4.14Å; T290-V333 HydrophobicContact CG2-CG2 3.63Å
291	Q	93.6	Very high	91.2	Very high	140 Å²	140	50.1 Å²	50.1	65%	0.654	25%	0.246	S	C	*	.	H	α-helix	trans	-63.7	-40.9	176.2	-174	177.6	13	0	0	112.3	P287 E288 L289 D295	P287-Q291 WeakPolarHBondContact O-CB 3.48Å; P287-Q291 PolarHBondContact O-N 3.15Å; E288-Q291 PolarHBondContact O-N 2.7Å; L289-Q291 VanDerWaalsContact C-N 3.3Å; L289-Q291 PolarHBondContact O-N 3.39Å; Q291-D295 PolarHBondContact O-N 2.92Å
292	Q	94	Very high	91.6	Very high	19 Å²	19	42.7 Å²	42.7	9%	0.089	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-36.8	178.5	-75.8	-177.1	41.6	0	0	112.4	A271 E288 L289 T290 F294 D295 N298	A271-Q292 HydrophobicContact CB-CB 3.72Å; E288-Q292 WeakPolarHBondContact O-CG 3.31Å; E288-Q292 PolarHBondContact O-N 3.05Å; E288-Q292 VanDerWaalsContact O-N 3.07Å; E288-Q292 PolarHBondContact OE1-NE2 2.85Å; L289-Q292 PolarHBondContact O-N 3.13Å; L289-Q292 VanDerWaalsContact O-N 3.13Å; T290-Q292 PolarHBondContact O-N 3.35Å; Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 2.88Å; Q292-D295 PolarHBondContact O-N 3.45Å; Q292-N298 WeakPolarHBondContact O-CB 3.25Å; Q292-N298 PolarHBondContact O-ND2 3.47Å
293	M	93	Very high	92.2	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-37.7	179.4	-70.1	159.6	52.8	0	0	113.3	L289 T290 M299 A315 F317 M330 V365 F367	L289-M293 WeakPolarHBondContact O-CG 3.31Å; L289-M293 PolarHBondContact O-N 3.47Å; T290-M293 PolarHBondContact O-N 2.75Å; M293-M299 WeakPolarHBondContact O-CE 3.18Å; M293-A315 HydrophobicContact CE-CB 3.31Å; M293-A315 HydrophobicContact SD-CB 4.43Å; M293-F317 HydrophobicContact SD-CE2 4.49Å; M293-F317 HydrophobicContact SD-CZ 3.98Å; M293-M330 HydrophobicContact CE-CE 4.39Å; M293-M330 HydrophobicContact CE-SD 4.08Å; M293-V365 HydrophobicContact CE-CG2 4.03Å; M293-V365 HydrophobicContact CG-CB 4.35Å; M293-V365 HydrophobicContact CG-CG1 3.35Å; M293-V365 HydrophobicContact CG-CG2 4.12Å; M293-V365 HydrophobicContact SD-CB 3.89Å; M293-V365 HydrophobicContact SD-CG1 3.36Å; M293-V365 WeakPolarHBondContact SD-CG1 3.46Å; M293-V365 HydrophobicContact SD-CG2 3.27Å; M293-V365 WeakPolarHBondContact SD-CG2 3.43Å; M293-F367 HydrophobicContact CB-CB 4.17Å; M293-F367 HydrophobicContact CB-CD2 4.13Å; M293-F367 HydrophobicContact CB-CG 4.4Å; M293-F367 HydrophobicContact CE-CB 4.35Å; M293-F367 HydrophobicContact CE-CD2 3.76Å; M293-F367 HydrophobicContact CG-CB 4.2Å
294	F	91.5	Very high	92.6	Very high	31 Å²	31	33.2 Å²	33.2	14%	0.136	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.2	-178	-74	-88.3	0	0	0	113.2	T290 Q292 Y310 V313 M330 V333 F341 F367	T290-F294 HydrophobicContact CG2-CD2 4.5Å; T290-F294 HydrophobicContact CG2-CE2 4.44Å; T290-F294 WeakPolarHBondContact O-CD2 3.47Å; Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 2.88Å; F294-Y310 HydrophobicContact CD1-CE2 4.14Å; F294-Y310 HydrophobicContact CE1-CE2 4.13Å; F294-V313 HydrophobicContact CZ-CG1 4.11Å; F294-M330 HydrophobicContact CE2-CE 4.17Å; F294-M330 HydrophobicContact CE2-SD 4.41Å; F294-M330 HydrophobicContact CZ-CE 4.32Å; F294-V333 HydrophobicContact CB-CG1 4.34Å; F294-V333 HydrophobicContact CD1-CG1 4.22Å; F294-V333 HydrophobicContact CD2-CB 4.5Å; F294-V333 HydrophobicContact CD2-CG1 3.42Å; F294-V333 VanDerWaalsContact CD2-CG1 3.42Å; F294-V333 HydrophobicContact CE1-CG1 4.37Å; F294-V333 HydrophobicContact CE2-CB 4.42Å; F294-V333 HydrophobicContact CE2-CG1 3.58Å; F294-V333 HydrophobicContact CG-CG1 3.74Å; F294-V333 HydrophobicContact CZ-CG1 4.05Å; F294-F341 HydrophobicContact CE1-CE2 4.32Å; F294-F341 AromaticContact CE1-CZ 3.76Å; F294-F341 HydrophobicContact CE1-CZ 3.76Å; F294-F341 HydrophobicContact CZ-CZ 4.14Å; F294-F367 HydrophobicContact CD1-CE2 4.36Å; F294-F367 AromaticContact CE1-CE2 3.95Å; F294-F367 HydrophobicContact CE1-CE2 3.95Å; F294-F367 HydrophobicContact CE2-CE2 4.45Å; F294-F367 HydrophobicContact CZ-CE2 4.02Å
295	D	91.7	Very high	92.5	Very high	65 Å²	65	31.2 Å²	31.2	35%	0.348	17%	0.167	S	C	.	.			trans	-80.5	118.8	169.3	-169.5	-20.8	0	0	0	108.9	Q291 Q292 K297 N298	Q291-D295 PolarHBondContact O-N 2.92Å; Q292-D295 PolarHBondContact O-N 3.45Å; D295-K297 PolarHBondContact O-N 2.86Å; D295-K297 WeakPolarHBondContact OD1-CB 3.14Å; D295-K297 WeakPolarHBondContact OD1-CG 3.07Å; D295-K297 PolarHBondContact OD1-N 3.15Å; D295-N298 WeakPolarHBondContact O-CB 3.28Å; D295-N298 PolarHBondContact O-N 2.8Å
296	A	90.4	Very high	92.3	Very high	29 Å²	29	35.8 Å²	35.8	24%	0.24	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-52.2	-28.7	177.9	0	0	0	0	0	112.8	N298 M299	A296-N298 PolarHBondContact O-N 3.04Å; A296-M299 PolarHBondContact O-N 2.91Å
297	K	91.2	Very high	92.2	Very high	151 Å²	151	40.9 Å²	40.9	66%	0.657	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-70.6	-13.8	178.5	-62	172.4	-173.4	169	0	114.3	I210 D295	I210-K297 VanDerWaalsContact CG1-O 3.27Å; I210-K297 WeakPolarHBondContact CG1-O 3.13Å; D295-K297 PolarHBondContact O-N 2.86Å; D295-K297 WeakPolarHBondContact OD1-CB 3.14Å; D295-K297 WeakPolarHBondContact OD1-CG 3.07Å; D295-K297 PolarHBondContact OD1-N 3.15Å
298	N	91.8	Very high	92.2	Very high	8 Å²	8	39 Å²	39	4%	0.043	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-104	-3.2	-178.6	-65.9	-18.8	0	0	0	112.4	L273 Q292 D295 A296	L273-N298 HydrophobicContact CD1-CB 3.65Å; L273-N298 WeakPolarHBondContact CD1-OD1 3.43Å; Q292-N298 WeakPolarHBondContact O-CB 3.25Å; Q292-N298 PolarHBondContact O-ND2 3.47Å; D295-N298 WeakPolarHBondContact O-CB 3.28Å; D295-N298 PolarHBondContact O-N 2.8Å; A296-N298 PolarHBondContact O-N 3.04Å
299	M	93.2	Very high	92.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-74.3	141.3	173.6	-59.2	-58.8	-178.4	0	0	109.8	M293 A296 A301 P305 Y310 F367	M293-M299 WeakPolarHBondContact O-CE 3.18Å; A296-M299 PolarHBondContact O-N 2.91Å; M299-A301 VanDerWaalsContact C-N 3.3Å; M299-P305 HydrophobicContact CE-CG 4.29Å; M299-P305 HydrophobicContact CG-CG 4.45Å; M299-Y310 WeakPolarHBondContact CE-OH 3.44Å; M299-F367 HydrophobicContact CE-CD1 3.75Å; M299-F367 HydrophobicContact CE-CE1 3.37Å; M299-F367 HydrophobicContact CE-CG 4.48Å; M299-F367 HydrophobicContact CE-CZ 3.81Å; M299-F367 HydrophobicContact SD-CD1 3.51Å; M299-F367 VanDerWaalsContact SD-CD1 3.51Å; M299-F367 HydrophobicContact SD-CE1 3.54Å; M299-F367 VanDerWaalsContact SD-CE1 3.54Å
300	M	94.3	Very high	92.3	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-87.7	1.4	178.7	-59.2	-170.2	177.2	0	0	112.9	D203 L207 I210 L228 T232 P268 F270	D203-M300 WeakPolarHBondContact CB-O 3.04Å; D203-M300 PolarHBondContact N-O 2.94Å; L207-M300 HydrophobicContact CD2-CB 4.14Å; L207-M300 HydrophobicContact CD2-CE 4.4Å; L207-M300 HydrophobicContact CD2-CG 3.88Å; L207-M300 HydrophobicContact CD2-SD 3.79Å; I210-M300 HydrophobicContact CD1-CG 4.3Å; L228-M300 HydrophobicContact CB-CE 3.95Å; T232-M300 HydrophobicContact CG2-SD 4.28Å; T232-M300 WeakPolarHBondContact OG1-CE 3.43Å; T232-M300 PolarHBondContact OG1-SD 2.82Å; P268-M300 HydrophobicContact CG-CB 4.18Å; P268-M300 WeakPolarHBondContact O-CB 3.33Å; P268-M300 PolarHBondContact O-N 2.85Å; F270-M300 HydrophobicContact CB-CE 3.85Å
301	A	91.3	Very high	92.3	Very high	1 Å²	1	42 Å²	42	1%	0.008	20%	0.2	C	C	.	.	S	Bend	trans	-110.6	133.5	167.8	0	0	0	0	0	108.4	M267 M299 C303 I374 L377	M267-A301 HydrophobicContact CB-CB 4.26Å; M267-A301 HydrophobicContact CG-CB 3.95Å; M299-A301 VanDerWaalsContact C-N 3.3Å; A301-C303 PolarHBondContact O-N 3.24Å; A301-I374 HydrophobicContact CB-CD1 4.29Å; A301-L377 HydrophobicContact CB-CD1 4.45Å
302	A	88.4	Confident	92.5	Very high	37 Å²	37	35.5 Å²	35.5	31%	0.306	17%	0.17	S	C	.	.	S	Bend	trans	-79.9	64.2	-180	0	0	0	0	0	111.2	D203 A206	D203-A302 HydrophobicContact CB-CB 4.44Å; D203-A302 WeakPolarHBondContact OD2-CB 3.46Å; D203-A302 PolarHBondContact OD2-N 3.3Å; A206-A302 HydrophobicContact CB-CB 4.18Å
303	C	89	Confident	92.5	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.047	17%	0.165	C	C	.	.			trans	-125.3	143.7	172.8	-53.5	0	0	0	0	108.2	M267 A301 P305 A373 E376	M267-C303 HydrophobicContact SD-CB 3.8Å; A301-C303 PolarHBondContact O-N 3.24Å; C303-P305 WeakPolarHBondContact O-CD 3.32Å; C303-A373 HydrophobicContact CB-CB 4.38Å; C303-A373 WeakPolarHBondContact CB-O 3.15Å; C303-E376 WeakPolarHBondContact CA-OE2 3.35Å; C303-E376 HydrophobicContact CB-CB 4.47Å
304	D	90.2	Very high	92.6	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.123	17%	0.166	C	C	.	.			trans	-92.9	111.7	173.5	-166.8	-23.5	0	0	0	110	R306 H307 A373 E376	D304-R306 VanDerWaalsContact CG-NE 3.32Å; D304-R306 PolarHBondContact O-N 3.38Å; D304-R306 VanDerWaalsContact OD1-CB 3.24Å; D304-R306 WeakPolarHBondContact OD1-CB 3.41Å; D304-R306 VanDerWaalsContact OD1-CG 3.27Å; D304-R306 WeakPolarHBondContact OD1-CG 3.35Å; D304-R306 IonicContact OD1-CZ 3.02Å; D304-R306 PolarHBondContact OD1-N 2.83Å; D304-R306 IonicContact OD1-NE 3.49Å; D304-R306 PolarHBondContact OD1-NE 3.13Å; D304-R306 IonicContact OD1-NH2 3.16Å; D304-R306 IonicContact OD2-CZ 3.6Å; D304-R306 IonicContact OD2-NE 3.73Å; D304-R306 PolarHBondContact OD2-NE 3.5Å; D304-R306 IonicContact OD2-NH2 2.81Å; D304-R306 PolarHBondContact OD2-NH2 3.42Å; D304-H307 WeakPolarHBondContact O-CB 3.38Å; D304-H307 PolarHBondContact O-N 3.36Å; D304-H307 IonicContact OD2-CE1 2.89Å; D304-H307 IonicContact OD2-NE2 3.82Å; D304-A373 WeakPolarHBondContact O-CB 3.5Å; D304-E376 PolarHBondContact N-OE2 3.28Å
305	P	88.9	Confident	92.8	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.032	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.5	-18.4	-179.9	-21.9	33.4	0	0	0	113.7	M267 M299 C303 H307 G308 Y310	M267-P305 HydrophobicContact CE-CB 4.43Å; M267-P305 HydrophobicContact CE-CG 4.08Å; M299-P305 HydrophobicContact CE-CG 4.29Å; M299-P305 HydrophobicContact CG-CG 4.45Å; C303-P305 WeakPolarHBondContact O-CD 3.32Å; P305-H307 PolarHBondContact O-N 3.25Å; P305-G308 CarbonylContact O-C 3.5Å; P305-G308 PolarHBondContact O-N 2.82Å; P305-G308 VanDerWaalsContact O-O 3.11Å; P305-Y310 HydrophobicContact CB-CE1 4.21Å; P305-Y310 HydrophobicContact CB-CE2 3.96Å; P305-Y310 WeakPolarHBondContact CB-OH 3.48Å; P305-Y310 VanDerWaalsContact CG-OH 3.29Å; P305-Y310 WeakPolarHBondContact CG-OH 3.44Å
306	R	89.6	Confident	92.9	Very high	149 Å²	149	30.6 Å²	30.6	56%	0.562	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-71.8	-18	176.2	-58	174	-70.8	177.8	-0.7	113.1	D304 G308 Y340	D304-R306 VanDerWaalsContact CG-NE 3.32Å; D304-R306 PolarHBondContact O-N 3.38Å; D304-R306 VanDerWaalsContact OD1-CB 3.24Å; D304-R306 WeakPolarHBondContact OD1-CB 3.41Å; D304-R306 VanDerWaalsContact OD1-CG 3.27Å; D304-R306 WeakPolarHBondContact OD1-CG 3.35Å; D304-R306 IonicContact OD1-CZ 3.02Å; D304-R306 PolarHBondContact OD1-N 2.83Å; D304-R306 IonicContact OD1-NE 3.49Å; D304-R306 PolarHBondContact OD1-NE 3.13Å; D304-R306 IonicContact OD1-NH2 3.16Å; D304-R306 IonicContact OD2-CZ 3.6Å; D304-R306 IonicContact OD2-NE 3.73Å; D304-R306 PolarHBondContact OD2-NE 3.5Å; D304-R306 IonicContact OD2-NH2 2.81Å; D304-R306 PolarHBondContact OD2-NH2 3.42Å; R306-G308 VanDerWaalsContact C-N 3.29Å; R306-Y340 HydrophobicContact CB-CE1 4.19Å; R306-Y340 HydrophobicContact CG-CE1 4.28Å; R306-Y340 HydrophobicContact CG-CE2 4Å
307	H	93	Very high	93.1	Very high	110 Å²	110	29.2 Å²	29.2	51%	0.509	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-88.8	1.5	175.4	-59.2	164.6	0	0	0	112.7	D304 P305 E376 Q426	D304-H307 WeakPolarHBondContact O-CB 3.38Å; D304-H307 PolarHBondContact O-N 3.36Å; D304-H307 IonicContact OD2-CE1 2.89Å; D304-H307 IonicContact OD2-NE2 3.82Å; P305-H307 PolarHBondContact O-N 3.25Å; H307-E376 WeakPolarHBondContact CB-OE1 3.4Å; H307-E376 IonicContact CE1-OE1 2.82Å; H307-E376 IonicContact CG-OE1 2.87Å; H307-E376 IonicContact ND1-OE1 2.69Å; H307-E376 PolarHBondContact ND1-OE1 3.09Å; H307-E376 IonicContact ND1-OE2 3.44Å; H307-Q426 PolarHBondContact O-OE1 3Å
308	G	94.6	Very high	93.2	Very high	5 Å²	5	22.1 Å²	22.1	5%	0.052	10%	0.104	C	C	.	.	S	Bend	trans	-143.5	-158.9	174.7	0	0	0	0	0	112.6	P305 R306 T372 Q426	P305-G308 CarbonylContact O-C 3.5Å; P305-G308 PolarHBondContact O-N 2.82Å; P305-G308 VanDerWaalsContact O-O 3.11Å; R306-G308 VanDerWaalsContact C-N 3.29Å; G308-T372 VanDerWaalsContact CA-OG1 3.3Å; G308-T372 WeakPolarHBondContact CA-OG1 3.42Å; G308-Q426 VanDerWaalsContact CA-OE1 3.28Å
309	R	96	Very high	93.1	Very high	92 Å²	92	21.7 Å²	21.7	35%	0.347	10%	0.102	S	C	.	.			trans	-127.1	143.5	176	-59.4	-67.1	-175.7	129.7	-0	109.3	S339 Y340 F341 V342 S371 T372 Q426	R309-S339 VanDerWaalsContact CD-O 3.3Å; R309-S339 WeakPolarHBondContact CD-O 3.38Å; R309-S339 PolarHBondContact NE-O 3.32Å; R309-S339 VanDerWaalsContact NE-O 3.07Å; R309-S339 VanDerWaalsContact NH1-C 3.32Å; R309-S339 PolarHBondContact NH1-O 3.13Å; R309-Y340 CarbonylContact C-O 3.54Å; R309-Y340 VanDerWaalsContact CA-O 3.31Å; R309-Y340 WeakPolarHBondContact CA-O 3.27Å; R309-F341 PolarHBondContact NH1-O 2.85Å; R309-V342 HydrophobicContact CB-CG1 3.67Å; R309-V342 HydrophobicContact CG-CG1 4.37Å; R309-S371 CarbonylContact O-C 3.59Å; R309-S371 WeakPolarHBondContact O-CA 3.23Å; R309-S371 WeakPolarHBondContact O-CB 3.41Å; R309-S371 PolarHBondContact O-OG 2.84Å; R309-T372 PolarHBondContact N-OG1 3.28Å; R309-T372 PolarHBondContact O-N 3.34Å; R309-T372 PolarHBondContact O-OG1 3.4Å; R309-Q426 HydrophobicContact CG-CG 4.2Å
310	Y	96.4	Very high	92.9	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.016	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.4	166.5	-71	-67.1	0	0	0	108.4	M267 F294 M299 P305 V313 Y340 F341 V342 F367 N370	M267-Y310 HydrophobicContact CE-CE1 3.97Å; F294-Y310 HydrophobicContact CD1-CE2 4.14Å; F294-Y310 HydrophobicContact CE1-CE2 4.13Å; M299-Y310 WeakPolarHBondContact CE-OH 3.44Å; P305-Y310 HydrophobicContact CB-CE1 4.21Å; P305-Y310 HydrophobicContact CB-CE2 3.96Å; P305-Y310 WeakPolarHBondContact CB-OH 3.48Å; P305-Y310 VanDerWaalsContact CG-OH 3.29Å; P305-Y310 WeakPolarHBondContact CG-OH 3.44Å; Y310-V313 HydrophobicContact CD1-CG2 3.6Å; Y310-V313 HydrophobicContact CD2-CG2 4.36Å; Y310-V313 HydrophobicContact CE1-CG2 4.17Å; Y310-V313 HydrophobicContact CG-CG2 3.71Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.42Å; Y310-Y340 PolarHBondContact N-O 2.83Å; Y310-F341 HydrophobicContact CD2-CD1 4.46Å; Y310-F341 HydrophobicContact CD2-CD2 4.47Å; Y310-F341 HydrophobicContact CD2-CE1 4.13Å; Y310-F341 HydrophobicContact CD2-CE2 4.14Å; Y310-F341 AromaticContact CD2-CZ 3.98Å; Y310-F341 HydrophobicContact CD2-CZ 3.98Å; Y310-F341 HydrophobicContact CG-CD1 4.45Å; Y310-F341 HydrophobicContact CG-CE1 4.19Å; Y310-F341 HydrophobicContact CG-CZ 4.46Å; Y310-V342 PolarHBondContact O-N 2.86Å; Y310-V342 VanDerWaalsContact O-N 3.08Å; Y310-F367 HydrophobicContact CD1-CZ 4.44Å; Y310-F367 HydrophobicContact CE1-CE1 4.22Å; Y310-F367 AromaticContact CE1-CZ 3.62Å; Y310-F367 HydrophobicContact CE1-CZ 3.62Å; Y310-F367 AromaticContact CZ-CZ 3.88Å; Y310-N370 CarbonylContact C-O 3.51Å; Y310-N370 WeakPolarHBondContact CA-O 3.33Å
311	L	96.9	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-50.9	167.4	-57.6	-176.5	0	0	0	108.9	P259 L263 V342 W344 I345 N348 N370 T372	P259-L311 HydrophobicContact CG-CB 4.19Å; P259-L311 HydrophobicContact CG-CD1 4.22Å; L263-L311 HydrophobicContact CB-CD1 4.23Å; L263-L311 HydrophobicContact CD1-CD1 3.69Å; L311-V342 HydrophobicContact CD2-CG1 3.81Å; L311-W344 HydrophobicContact CD2-CH2 3.9Å; L311-W344 HydrophobicContact CD2-CZ2 4.02Å; L311-I345 HydrophobicContact CB-CD1 4.13Å; L311-I345 WeakPolarHBondContact O-CD1 3.12Å; L311-N348 WeakPolarHBondContact O-CB 3.41Å; L311-N370 HydrophobicContact CB-CB 4.39Å; L311-N370 PolarHBondContact N-O 2.7Å; L311-T372 HydrophobicContact CD2-CG2 3.88Å; L311-T372 HydrophobicContact CG-CG2 4.21Å
312	T	96	Very high	92.8	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.025	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.9	176.9	66.8	0	0	0	0	111.1	M257 N348 N370	M257-T312 WeakPolarHBondContact CA-OG1 3.44Å; M257-T312 WeakPolarHBondContact CE-OG1 3.25Å; M257-T312 PolarHBondContact O-OG1 3.34Å; T312-N348 CarbonylContact C-O 3.59Å; T312-N348 VanDerWaalsContact CA-O 3.25Å; T312-N348 WeakPolarHBondContact CA-O 3.46Å; T312-N370 PolarHBondContact N-O 3.04Å; T312-N370 PolarHBondContact O-N 2.92Å; T312-N370 VanDerWaalsContact OG1-CB 3.23Å; T312-N370 WeakPolarHBondContact OG1-CB 3.38Å
313	V	95.7	Very high	92.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.1	176.8	167.3	0	0	0	0	109.6	F294 Y310 F341 N348 V349 K350 F367 I368	F294-V313 HydrophobicContact CZ-CG1 4.11Å; Y310-V313 HydrophobicContact CD1-CG2 3.6Å; Y310-V313 HydrophobicContact CD2-CG2 4.36Å; Y310-V313 HydrophobicContact CE1-CG2 4.17Å; Y310-V313 HydrophobicContact CG-CG2 3.71Å; V313-F341 HydrophobicContact CB-CE1 4.25Å; V313-F341 HydrophobicContact CG2-CE1 3.68Å; V313-F341 HydrophobicContact CG2-CZ 4.16Å; V313-N348 PolarHBondContact N-O 2.72Å; V313-V349 HydrophobicContact CB-CG2 4.38Å; V313-V349 CarbonylContact O-C 3.6Å; V313-V349 WeakPolarHBondContact O-CA 3.25Å; V313-K350 PolarHBondContact O-N 3.19Å; V313-F367 HydrophobicContact CB-CE2 4.38Å; V313-F367 HydrophobicContact CG1-CD2 4.03Å; V313-F367 HydrophobicContact CG1-CE2 3.42Å; V313-F367 VanDerWaalsContact CG1-CE2 3.42Å; V313-F367 HydrophobicContact CG1-CZ 4.19Å; V313-F367 HydrophobicContact CG2-CE2 4.07Å; V313-F367 HydrophobicContact CG2-CZ 4.08Å; V313-I368 CarbonylContact C-O 3.5Å; V313-I368 WeakPolarHBondContact CA-O 3.33Å
314	A	94.5	Very high	93.1	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.025	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.7	164.5	0	0	0	0	0	111.4	M257 K350 I368	M257-A314 HydrophobicContact CE-CB 4.05Å; M257-A314 HydrophobicContact SD-CB 3.58Å; M257-A314 VanDerWaalsContact SD-CB 3.58Å; A314-K350 CarbonylContact C-O 3.44Å; A314-K350 VanDerWaalsContact CA-O 3.31Å; A314-K350 WeakPolarHBondContact CA-O 3.48Å; A314-K350 HydrophobicContact CB-CB 4.39Å; A314-I368 HydrophobicContact CB-CB 4.23Å; A314-I368 HydrophobicContact CB-CD1 4.35Å; A314-I368 PolarHBondContact N-O 2.81Å; A314-I368 PolarHBondContact O-N 3Å
315	A	95	Very high	93.4	Very high	1 Å²	1	47 Å²	47	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112	176.2	0	0	0	0	0	109.8	M293 F317 M330 K350 T351 A352 V365	M293-A315 HydrophobicContact CE-CB 3.31Å; M293-A315 HydrophobicContact SD-CB 4.43Å; A315-F317 HydrophobicContact CB-CD2 4.26Å; A315-F317 HydrophobicContact CB-CE2 3.75Å; A315-M330 HydrophobicContact CB-CE 3.69Å; A315-M330 HydrophobicContact CB-SD 3.91Å; A315-K350 PolarHBondContact N-O 2.95Å; A315-T351 CarbonylContact O-C 3.59Å; A315-T351 WeakPolarHBondContact O-CA 3.49Å; A315-A352 PolarHBondContact O-N 3.28Å; A315-V365 HydrophobicContact CB-CG2 4.36Å
316	I	94.1	Very high	93.6	Very high	11 Å²	11	46.8 Å²	46.8	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	94.1	-176.2	-54.6	169.5	0	0	0	108.6	T238 A352 V365 T366 I368	T238-I316 HydrophobicContact CG2-CG2 3.37Å; I316-A352 HydrophobicContact CG1-CB 4.45Å; I316-A352 HydrophobicContact CG2-CB 4.42Å; I316-V365 CarbonylContact O-C 3.42Å; I316-V365 VanDerWaalsContact O-CA 3.29Å; I316-V365 WeakPolarHBondContact O-CA 3.33Å; I316-T366 PolarHBondContact N-O 3.09Å; I316-T366 PolarHBondContact O-N 2.91Å; I316-I368 HydrophobicContact CD1-CD1 3.87Å
317	F	94.7	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	142.1	177.6	-72.3	-93.8	0	0	0	111.2	V286 L289 M293 A315 M321 V326 M330 A352 V353 C354 S364 V365	V286-F317 HydrophobicContact CG1-CE1 4.08Å; V286-F317 HydrophobicContact CG1-CZ 4.43Å; L289-F317 HydrophobicContact CB-CE1 4.18Å; L289-F317 HydrophobicContact CD1-CD1 4.33Å; L289-F317 HydrophobicContact CD1-CE1 4.41Å; M293-F317 HydrophobicContact SD-CE2 4.49Å; M293-F317 HydrophobicContact SD-CZ 3.98Å; A315-F317 HydrophobicContact CB-CD2 4.26Å; A315-F317 HydrophobicContact CB-CE2 3.75Å; F317-M321 HydrophobicContact CB-CE 4.01Å; F317-M321 HydrophobicContact CB-SD 3.62Å; F317-M321 HydrophobicContact CD1-CE 4.36Å; F317-M321 HydrophobicContact CD1-SD 3.6Å; F317-M321 HydrophobicContact CG-SD 3.91Å; F317-V326 HydrophobicContact CD1-CG2 4.25Å; F317-V326 HydrophobicContact CD2-CG1 3.53Å; F317-V326 HydrophobicContact CD2-CG2 4.25Å; F317-V326 HydrophobicContact CE1-CG2 4.5Å; F317-V326 HydrophobicContact CE2-CG1 3.49Å; F317-V326 VanDerWaalsContact CE2-CG1 3.49Å; F317-V326 HydrophobicContact CG-CG1 4.24Å; F317-V326 HydrophobicContact CG-CG2 4.12Å; F317-V326 HydrophobicContact CZ-CG1 4.17Å; F317-M330 HydrophobicContact CE2-CG 4.3Å; F317-M330 HydrophobicContact CE2-SD 4.16Å; F317-M330 HydrophobicContact CZ-SD 4.33Å; F317-A352 PolarHBondContact N-O 3.06Å; F317-V353 HydrophobicContact CB-CG2 4.26Å; F317-V353 CarbonylContact O-C 3.48Å; F317-V353 WeakPolarHBondContact O-CA 3.26Å; F317-C354 PolarHBondContact O-N 3.3Å; F317-S364 WeakPolarHBondContact CA-O 3.38Å; F317-V365 HydrophobicContact CD1-CB 3.76Å; F317-V365 HydrophobicContact CD1-CG2 3.84Å; F317-V365 HydrophobicContact CD2-CG2 3.81Å; F317-V365 HydrophobicContact CE1-CB 3.87Å; F317-V365 HydrophobicContact CE1-CG1 4.35Å; F317-V365 HydrophobicContact CE1-CG2 3.84Å; F317-V365 HydrophobicContact CE2-CG2 3.81Å; F317-V365 HydrophobicContact CG-CB 4.16Å; F317-V365 HydrophobicContact CG-CG2 3.83Å; F317-V365 HydrophobicContact CZ-CB 4.34Å; F317-V365 HydrophobicContact CZ-CG2 3.82Å
318	R	92.7	Very high	94	Very high	2 Å²	2	42 Å²	42	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136	179.8	-60.4	-178.3	65.3	177	4.3	110.3	E27 S234 T238 M321 C354 I356 M363 S364	E27-R318 IonicContact OE1-CZ 2.61Å; E27-R318 IonicContact OE1-NH1 2.85Å; E27-R318 PolarHBondContact OE1-NH1 2.75Å; E27-R318 IonicContact OE1-NH2 3.64Å; E27-R318 PolarHBondContact OE1-NH2 3.29Å; E27-R318 IonicContact OE2-CZ 3.69Å; E27-R318 IonicContact OE2-NH1 3.41Å; E27-R318 IonicContact OE2-NH2 3.75Å; E27-R318 PolarHBondContact OE2-NH2 3.27Å; S234-R318 PolarHBondContact OG-NH1 3.06Å; T238-R318 HydrophobicContact CG2-CG 4.03Å; T238-R318 PolarHBondContact OG1-NE 3.11Å; R318-M321 VanDerWaalsContact C-CE 3.49Å; R318-M321 WeakPolarHBondContact O-CE 2.97Å; R318-C354 CarbonylContact C-O 3.56Å; R318-C354 VanDerWaalsContact CA-O 3.24Å; R318-C354 WeakPolarHBondContact CA-O 3.26Å; R318-C354 HydrophobicContact CG-CB 4.46Å; R318-I356 PolarHBondContact NE-O 3.47Å; R318-M363 CarbonylContact O-C 3.53Å; R318-M363 WeakPolarHBondContact O-CA 3.49Å; R318-M363 WeakPolarHBondContact O-CB 3.47Å; R318-S364 PolarHBondContact N-O 3.42Å; R318-S364 PolarHBondContact O-N 3.09Å
319	G	91.3	Very high	94.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	110.1	167.8	-176.2	0	0	0	0	0	113.3	M321 C354	G319-M321 WeakPolarHBondContact O-CE 3.17Å; G319-M321 PolarHBondContact O-N 3.34Å; G319-M321 VanDerWaalsContact O-N 3.15Å; G319-C354 PolarHBondContact N-O 3.18Å
320	R	88.7	Confident	94.1	Very high	226 Å²	226	39.7 Å²	39.7	85%	0.853	19%	0.185	S	C	*	.	S	Bend	trans	-73.1	106.2	-178.8	-64.9	-175.4	-177.5	-175.2	0.7	110.7
321	M	91.5	Very high	94	Very high	33 Å²	33	43.8 Å²	43.8	16%	0.163	21%	0.207	C	C	.	.			trans	-146.9	165.8	178.4	64.8	-166.7	82.1	0	0	111.9	V286 F317 R318 G319 V326 V353 M363	V286-M321 HydrophobicContact CG2-CB 4.02Å; V286-M321 HydrophobicContact CG2-CG 4.36Å; V286-M321 HydrophobicContact CG2-SD 3.86Å; F317-M321 HydrophobicContact CB-CE 4.01Å; F317-M321 HydrophobicContact CB-SD 3.62Å; F317-M321 HydrophobicContact CD1-CE 4.36Å; F317-M321 HydrophobicContact CD1-SD 3.6Å; F317-M321 HydrophobicContact CG-SD 3.91Å; R318-M321 VanDerWaalsContact C-CE 3.49Å; R318-M321 WeakPolarHBondContact O-CE 2.97Å; G319-M321 WeakPolarHBondContact O-CE 3.17Å; G319-M321 PolarHBondContact O-N 3.34Å; G319-M321 VanDerWaalsContact O-N 3.15Å; M321-V326 HydrophobicContact CG-CG2 4.03Å; M321-V326 HydrophobicContact SD-CG2 3.78Å; M321-V353 HydrophobicContact CG-CG1 4.05Å; M321-M363 HydrophobicContact CE-CB 3.79Å; M321-M363 HydrophobicContact CE-CE 3.99Å; M321-M363 HydrophobicContact SD-CE 4.12Å
322	S	91.4	Very high	93.9	Very high	61 Å²	61	47.9 Å²	47.9	43%	0.427	23%	0.228	S	C	.	.			trans	-80.4	122.3	177.6	-175.9	0	0	0	0	110.5	K324 E325 V326	S322-K324 PolarHBondContact O-N 2.65Å; S322-E325 WeakPolarHBondContact O-CB 3.43Å; S322-E325 PolarHBondContact O-N 3.33Å; S322-E325 VanDerWaalsContact O-N 3.11Å; S322-V326 PolarHBondContact O-N 3.24Å
323	M	89.8	Confident	93.7	Very high	70 Å²	70	48.7 Å²	48.7	35%	0.345	23%	0.233	S	C	.	.	H	α-helix	trans	-58.9	-38.7	173.4	-172.8	175.9	-169.6	0	0	111.8	Q245 E325 V326 D327	Q245-M323 PolarHBondContact OE1-SD 3.09Å; Q245-M323 VanDerWaalsContact OE1-SD 3.33Å; M323-E325 VanDerWaalsContact C-N 3.29Å; M323-E325 PolarHBondContact O-N 3.38Å; M323-V326 WeakPolarHBondContact O-CB 3.33Å; M323-V326 PolarHBondContact O-N 2.84Å; M323-V326 VanDerWaalsContact O-N 3.14Å; M323-D327 PolarHBondContact O-N 2.96Å
324	K	94.2	Very high	93.5	Very high	140 Å²	140	51 Å²	51	61%	0.609	24%	0.244	S	C	*	.	H	α-helix	trans	-57.9	-43.3	175.4	179.6	179.8	170.8	-179.6	0	111.7	S322 E328	S322-K324 PolarHBondContact O-N 2.65Å; K324-E328 WeakPolarHBondContact CE-OE1 3.44Å; K324-E328 IonicContact NZ-OE1 3.79Å; K324-E328 WeakPolarHBondContact O-CB 3.48Å; K324-E328 VanDerWaalsContact O-CG 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.37Å; K324-E328 PolarHBondContact O-N 2.99Å
325	E	95.6	Very high	93.4	Very high	71 Å²	71	55.7 Å²	55.7	33%	0.332	27%	0.269	S	S	.	.	H	α-helix	trans	-66	-41.2	177.4	-172.9	-178.2	-170.4	0	0	111.3	V286 S322 M323 E328 Q329	V286-E325 HydrophobicContact CB-CG 4.03Å; V286-E325 HydrophobicContact CG1-CG 4.31Å; V286-E325 HydrophobicContact CG2-CG 4.31Å; S322-E325 WeakPolarHBondContact O-CB 3.43Å; S322-E325 PolarHBondContact O-N 3.33Å; S322-E325 VanDerWaalsContact O-N 3.11Å; M323-E325 VanDerWaalsContact C-N 3.29Å; M323-E325 PolarHBondContact O-N 3.38Å; E325-E328 PolarHBondContact O-N 2.77Å; E325-Q329 HydrophobicContact CG-CG 4.49Å; E325-Q329 WeakPolarHBondContact O-CB 3.28Å; E325-Q329 VanDerWaalsContact O-CG 3.29Å; E325-Q329 WeakPolarHBondContact O-CG 3.48Å; E325-Q329 PolarHBondContact O-N 2.79Å
326	V	94.9	Very high	93.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-51.8	174.7	171	0	0	0	0	111.1	V286 F317 M321 S322 M323 E328 Q329 M330 T351 V353	V286-V326 HydrophobicContact CG1-CB 4.4Å; V286-V326 HydrophobicContact CG1-CG2 3.83Å; V286-V326 HydrophobicContact CG2-CG2 4.13Å; F317-V326 HydrophobicContact CD1-CG2 4.25Å; F317-V326 HydrophobicContact CD2-CG1 3.53Å; F317-V326 HydrophobicContact CD2-CG2 4.25Å; F317-V326 HydrophobicContact CE1-CG2 4.5Å; F317-V326 HydrophobicContact CE2-CG1 3.49Å; F317-V326 VanDerWaalsContact CE2-CG1 3.49Å; F317-V326 HydrophobicContact CG-CG1 4.24Å; F317-V326 HydrophobicContact CG-CG2 4.12Å; F317-V326 HydrophobicContact CZ-CG1 4.17Å; M321-V326 HydrophobicContact CG-CG2 4.03Å; M321-V326 HydrophobicContact SD-CG2 3.78Å; S322-V326 PolarHBondContact O-N 3.24Å; M323-V326 WeakPolarHBondContact O-CB 3.33Å; M323-V326 PolarHBondContact O-N 2.84Å; M323-V326 VanDerWaalsContact O-N 3.14Å; V326-E328 PolarHBondContact O-N 3.22Å; V326-Q329 PolarHBondContact O-N 3.36Å; V326-M330 HydrophobicContact CG1-CG 4.32Å; V326-M330 WeakPolarHBondContact O-CB 3.25Å; V326-M330 WeakPolarHBondContact O-CG 3.22Å; V326-M330 PolarHBondContact O-N 2.82Å; V326-T351 HydrophobicContact CG1-CG2 4.24Å; V326-V353 HydrophobicContact CG1-CG2 4.42Å; V326-V353 HydrophobicContact CG2-CG2 4.27Å
327	D	94.2	Very high	93.1	Very high	65 Å²	65	64.7 Å²	64.7	35%	0.348	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-41.4	-178.1	-66.1	-25.5	0	0	0	111.7	M323 M330 L331 T351	M323-D327 PolarHBondContact O-N 2.96Å; D327-M330 PolarHBondContact O-N 3.47Å; D327-L331 WeakPolarHBondContact O-CB 3.39Å; D327-L331 PolarHBondContact O-N 3.48Å; D327-T351 PolarHBondContact OD1-OG1 2.81Å; D327-T351 VanDerWaalsContact OD1-OG1 3.06Å
328	E	96.5	Very high	92.9	Very high	93 Å²	93	68.3 Å²	68.3	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-45.2	174.9	-76.4	175.4	178.7	0	0	111.9	K324 E325 V326 N332	K324-E328 WeakPolarHBondContact CE-OE1 3.44Å; K324-E328 IonicContact NZ-OE1 3.79Å; K324-E328 WeakPolarHBondContact O-CB 3.48Å; K324-E328 VanDerWaalsContact O-CG 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.37Å; K324-E328 PolarHBondContact O-N 2.99Å; E325-E328 PolarHBondContact O-N 2.77Å; V326-E328 PolarHBondContact O-N 3.22Å; E328-N332 WeakPolarHBondContact O-CB 3.39Å; E328-N332 PolarHBondContact O-N 3.34Å; E328-N332 PolarHBondContact O-ND2 3.02Å
329	Q	96.1	Very high	92.8	Very high	44 Å²	44	71.3 Å²	71.3	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-68.8	-37.7	179.3	-69.2	-50.2	-53.5	0	0	112.6	V286 P287 T290 E325 V326 N332 V333	V286-Q329 HydrophobicContact CG1-CB 4.18Å; V286-Q329 HydrophobicContact CG1-CG 4.02Å; P287-Q329 HydrophobicContact CB-CG 4.31Å; P287-Q329 HydrophobicContact CG-CG 3.87Å; T290-Q329 HydrophobicContact CG2-CB 4.46Å; E325-Q329 HydrophobicContact CG-CG 4.49Å; E325-Q329 WeakPolarHBondContact O-CB 3.28Å; E325-Q329 VanDerWaalsContact O-CG 3.29Å; E325-Q329 WeakPolarHBondContact O-CG 3.48Å; E325-Q329 PolarHBondContact O-N 2.79Å; V326-Q329 PolarHBondContact O-N 3.36Å; Q329-N332 PolarHBondContact O-N 3.44Å; Q329-V333 WeakPolarHBondContact O-CG2 3.33Å; Q329-V333 PolarHBondContact O-N 3.13Å
330	M	95.2	Very high	92.9	Very high	6 Å²	6	74.9 Å²	74.9	3%	0.03	37%	0.369	C	S	.	.	H	α-helix	trans	-66.9	-43.1	177.7	-71.3	-66.2	-55	0	0	111.4	T290 M293 F294 A315 F317 V326 D327 N332 V333 Q334 V349 T351	T290-M330 HydrophobicContact CG2-SD 3.69Å; M293-M330 HydrophobicContact CE-CE 4.39Å; M293-M330 HydrophobicContact CE-SD 4.08Å; F294-M330 HydrophobicContact CE2-CE 4.17Å; F294-M330 HydrophobicContact CE2-SD 4.41Å; F294-M330 HydrophobicContact CZ-CE 4.32Å; A315-M330 HydrophobicContact CB-CE 3.69Å; A315-M330 HydrophobicContact CB-SD 3.91Å; F317-M330 HydrophobicContact CE2-CG 4.3Å; F317-M330 HydrophobicContact CE2-SD 4.16Å; F317-M330 HydrophobicContact CZ-SD 4.33Å; V326-M330 HydrophobicContact CG1-CG 4.32Å; V326-M330 WeakPolarHBondContact O-CB 3.25Å; V326-M330 WeakPolarHBondContact O-CG 3.22Å; V326-M330 PolarHBondContact O-N 2.82Å; D327-M330 PolarHBondContact O-N 3.47Å; M330-N332 VanDerWaalsContact C-N 3.35Å; M330-N332 PolarHBondContact O-N 3.3Å; M330-V333 PolarHBondContact O-N 2.88Å; M330-Q334 WeakPolarHBondContact O-CB 3.32Å; M330-Q334 PolarHBondContact O-N 3.38Å; M330-V349 HydrophobicContact CE-CG1 3.43Å; M330-V349 VanDerWaalsContact CE-CG1 3.43Å; M330-T351 HydrophobicContact CB-CG2 3.94Å; M330-T351 HydrophobicContact CE-CG2 4.23Å; M330-T351 HydrophobicContact CG-CG2 3.55Å; M330-T351 HydrophobicContact SD-CG2 4.49Å
331	L	94.3	Very high	93.2	Very high	90 Å²	90	64.5 Å²	64.5	47%	0.471	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-42.6	173.2	-178.5	62.5	0	0	0	111.8	D327 V333 Q334 N335	D327-L331 WeakPolarHBondContact O-CB 3.39Å; D327-L331 PolarHBondContact O-N 3.48Å; L331-V333 PolarHBondContact O-N 3.35Å; L331-Q334 PolarHBondContact O-N 2.96Å; L331-N335 WeakPolarHBondContact O-CB 3.36Å; L331-N335 VanDerWaalsContact O-CG 3.25Å; L331-N335 PolarHBondContact O-N 3.41Å; L331-N335 PolarHBondContact O-ND2 3.04Å
332	N	95.3	Very high	93.3	Very high	85 Å²	85	63.3 Å²	63.3	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-42.8	177.8	-73.8	-27.8	0	0	0	112.3	E328 Q329 M330 K336	E328-N332 WeakPolarHBondContact O-CB 3.39Å; E328-N332 PolarHBondContact O-N 3.34Å; E328-N332 PolarHBondContact O-ND2 3.02Å; Q329-N332 PolarHBondContact O-N 3.44Å; M330-N332 VanDerWaalsContact C-N 3.35Å; M330-N332 PolarHBondContact O-N 3.3Å; N332-K336 VanDerWaalsContact O-CB 3.31Å; N332-K336 WeakPolarHBondContact O-CB 3.36Å; N332-K336 PolarHBondContact O-N 3.29Å
333	V	92.6	Very high	93.3	Very high	21 Å²	21	66.2 Å²	66.2	13%	0.127	34%	0.336	C	S	.	.	H	α-helix	trans	-70.9	-39.3	179.1	171.9	0	0	0	0	111.6	T290 F294 Q329 M330 L331 K336 N337	T290-V333 HydrophobicContact CG2-CB 4.14Å; T290-V333 HydrophobicContact CG2-CG2 3.63Å; F294-V333 HydrophobicContact CB-CG1 4.34Å; F294-V333 HydrophobicContact CD1-CG1 4.22Å; F294-V333 HydrophobicContact CD2-CB 4.5Å; F294-V333 HydrophobicContact CD2-CG1 3.42Å; F294-V333 VanDerWaalsContact CD2-CG1 3.42Å; F294-V333 HydrophobicContact CE1-CG1 4.37Å; F294-V333 HydrophobicContact CE2-CB 4.42Å; F294-V333 HydrophobicContact CE2-CG1 3.58Å; F294-V333 HydrophobicContact CG-CG1 3.74Å; F294-V333 HydrophobicContact CZ-CG1 4.05Å; Q329-V333 WeakPolarHBondContact O-CG2 3.33Å; Q329-V333 PolarHBondContact O-N 3.13Å; M330-V333 PolarHBondContact O-N 2.88Å; L331-V333 PolarHBondContact O-N 3.35Å; V333-K336 PolarHBondContact O-N 2.89Å; V333-N337 WeakPolarHBondContact CG1-ND2 3.39Å; V333-N337 VanDerWaalsContact O-CB 3.29Å; V333-N337 WeakPolarHBondContact O-CB 3.46Å; V333-N337 PolarHBondContact O-N 3.3Å; V333-N337 PolarHBondContact O-ND2 3.37Å
334	Q	91.6	Very high	93.3	Very high	50 Å²	50	63.7 Å²	63.7	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-59.5	-47.5	172.7	-171.4	-175.9	23.1	0	0	111.3	M330 L331 K336 N337 S338 F341 N348 V349	M330-Q334 WeakPolarHBondContact O-CB 3.32Å; M330-Q334 PolarHBondContact O-N 3.38Å; L331-Q334 PolarHBondContact O-N 2.96Å; Q334-K336 PolarHBondContact O-N 3.32Å; Q334-N337 CarbonylContact O-C 3.53Å; Q334-N337 VanDerWaalsContact O-C 3.31Å; Q334-N337 PolarHBondContact O-N 3.46Å; Q334-S338 VanDerWaalsContact O-CA 3.25Å; Q334-S338 WeakPolarHBondContact O-CA 3.2Å; Q334-S338 PolarHBondContact O-N 3.46Å; Q334-F341 HydrophobicContact CG-CD2 4.31Å; Q334-F341 HydrophobicContact CG-CE2 4.28Å; Q334-F341 HydrophobicContact CG-CZ 4.48Å; Q334-N348 PolarHBondContact NE2-OD1 3.2Å; Q334-N348 VanDerWaalsContact NE2-OD1 3.11Å; Q334-V349 HydrophobicContact CG-CG2 4.22Å
335	N	92.1	Very high	93.1	Very high	101 Å²	101	58.3 Å²	58.3	54%	0.54	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-42.4	178	-74.4	-29.2	0	0	0	112.5	L331 N337	L331-N335 WeakPolarHBondContact O-CB 3.36Å; L331-N335 VanDerWaalsContact O-CG 3.25Å; L331-N335 PolarHBondContact O-N 3.41Å; L331-N335 PolarHBondContact O-ND2 3.04Å; N335-N337 VanDerWaalsContact C-N 3.29Å; N335-N337 PolarHBondContact O-N 3.48Å
336	K	92.4	Very high	92.8	Very high	169 Å²	169	59.8 Å²	59.8	74%	0.735	32%	0.315	S	S	*	.	H	α-helix	trans	-65.5	-34.7	178.7	-177.8	-179.5	175.4	-174.3	0	112.2	N332 V333 Q334	N332-K336 VanDerWaalsContact O-CB 3.31Å; N332-K336 WeakPolarHBondContact O-CB 3.36Å; N332-K336 PolarHBondContact O-N 3.29Å; V333-K336 PolarHBondContact O-N 2.89Å; Q334-K336 PolarHBondContact O-N 3.32Å
337	N	90.4	Very high	92.4	Very high	32 Å²	32	65.9 Å²	65.9	17%	0.171	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	25.6	-175.7	-64.4	-28.2	0	0	0	111.9	V333 Q334 N335 S339 Y340 F341	V333-N337 WeakPolarHBondContact CG1-ND2 3.39Å; V333-N337 VanDerWaalsContact O-CB 3.29Å; V333-N337 WeakPolarHBondContact O-CB 3.46Å; V333-N337 PolarHBondContact O-N 3.3Å; V333-N337 PolarHBondContact O-ND2 3.37Å; Q334-N337 CarbonylContact O-C 3.53Å; Q334-N337 VanDerWaalsContact O-C 3.31Å; Q334-N337 PolarHBondContact O-N 3.46Å; N335-N337 VanDerWaalsContact C-N 3.29Å; N335-N337 PolarHBondContact O-N 3.48Å; N337-S339 PolarHBondContact O-N 3.44Å; N337-S339 VanDerWaalsContact O-N 3.1Å; N337-Y340 HydrophobicContact CB-CD2 3.83Å; N337-Y340 WeakPolarHBondContact O-CA 3.24Å; N337-Y340 WeakPolarHBondContact O-CB 3.3Å; N337-Y340 PolarHBondContact O-N 3.41Å; N337-F341 HydrophobicContact CB-CE2 4.31Å; N337-F341 WeakPolarHBondContact O-CD2 3.38Å
338	S	90.6	Very high	92.3	Very high	76 Å²	76	63.2 Å²	63.2	53%	0.531	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-57.4	-32.1	-171.6	57.1	0	0	0	0	112.9	Q334 Y340 F341	Q334-S338 VanDerWaalsContact O-CA 3.25Å; Q334-S338 WeakPolarHBondContact O-CA 3.2Å; Q334-S338 PolarHBondContact O-N 3.46Å; S338-Y340 PolarHBondContact O-N 3.42Å; S338-F341 PolarHBondContact O-N 3.41Å; S338-F341 VanDerWaalsContact O-N 3.09Å
339	S	91.3	Very high	92.1	Very high	64 Å²	64	60.1 Å²	60.1	45%	0.448	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-67.4	-7.5	173.6	64	0	0	0	0	114.9	R309 N337	R309-S339 VanDerWaalsContact CD-O 3.3Å; R309-S339 WeakPolarHBondContact CD-O 3.38Å; R309-S339 PolarHBondContact NE-O 3.32Å; R309-S339 VanDerWaalsContact NE-O 3.07Å; R309-S339 VanDerWaalsContact NH1-C 3.32Å; R309-S339 PolarHBondContact NH1-O 3.13Å; N337-S339 PolarHBondContact O-N 3.44Å; N337-S339 VanDerWaalsContact O-N 3.1Å
340	Y	93.3	Very high	91.9	Very high	75 Å²	75	60.5 Å²	60.5	29%	0.294	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-104.7	1.6	174.3	-54.8	-33.4	0	0	0	111.7	R306 R309 Y310 N337 S338	R306-Y340 HydrophobicContact CB-CE1 4.19Å; R306-Y340 HydrophobicContact CG-CE1 4.28Å; R306-Y340 HydrophobicContact CG-CE2 4Å; R309-Y340 CarbonylContact C-O 3.54Å; R309-Y340 VanDerWaalsContact CA-O 3.31Å; R309-Y340 WeakPolarHBondContact CA-O 3.27Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.42Å; Y310-Y340 PolarHBondContact N-O 2.83Å; N337-Y340 HydrophobicContact CB-CD2 3.83Å; N337-Y340 WeakPolarHBondContact O-CA 3.24Å; N337-Y340 WeakPolarHBondContact O-CB 3.3Å; N337-Y340 PolarHBondContact O-N 3.41Å; S338-Y340 PolarHBondContact O-N 3.42Å
341	F	94.5	Very high	91.7	Very high	8 Å²	8	61.3 Å²	61.3	4%	0.035	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-106.5	151.7	170.9	-70.6	-95.5	0	0	0	109	F294 R309 Y310 V313 Q334 N337 S338 V349	F294-F341 HydrophobicContact CE1-CE2 4.32Å; F294-F341 AromaticContact CE1-CZ 3.76Å; F294-F341 HydrophobicContact CE1-CZ 3.76Å; F294-F341 HydrophobicContact CZ-CZ 4.14Å; R309-F341 PolarHBondContact NH1-O 2.85Å; Y310-F341 HydrophobicContact CD2-CD1 4.46Å; Y310-F341 HydrophobicContact CD2-CD2 4.47Å; Y310-F341 HydrophobicContact CD2-CE1 4.13Å; Y310-F341 HydrophobicContact CD2-CE2 4.14Å; Y310-F341 AromaticContact CD2-CZ 3.98Å; Y310-F341 HydrophobicContact CD2-CZ 3.98Å; Y310-F341 HydrophobicContact CG-CD1 4.45Å; Y310-F341 HydrophobicContact CG-CE1 4.19Å; Y310-F341 HydrophobicContact CG-CZ 4.46Å; V313-F341 HydrophobicContact CB-CE1 4.25Å; V313-F341 HydrophobicContact CG2-CE1 3.68Å; V313-F341 HydrophobicContact CG2-CZ 4.16Å; Q334-F341 HydrophobicContact CG-CD2 4.31Å; Q334-F341 HydrophobicContact CG-CE2 4.28Å; Q334-F341 HydrophobicContact CG-CZ 4.48Å; N337-F341 HydrophobicContact CB-CE2 4.31Å; N337-F341 WeakPolarHBondContact O-CD2 3.38Å; S338-F341 PolarHBondContact O-N 3.41Å; S338-F341 VanDerWaalsContact O-N 3.09Å; F341-V349 HydrophobicContact CD1-CG2 4.23Å; F341-V349 HydrophobicContact CE1-CG2 3.55Å; F341-V349 HydrophobicContact CZ-CG2 4.09Å
342	V	93.9	Very high	91.6	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.048	31%	0.307	C	S	.	.			trans	-70.6	143.7	162	-60.1	0	0	0	0	109.1	R309 Y310 L311 W344 I345 N348	R309-V342 HydrophobicContact CB-CG1 3.67Å; R309-V342 HydrophobicContact CG-CG1 4.37Å; Y310-V342 PolarHBondContact O-N 2.86Å; Y310-V342 VanDerWaalsContact O-N 3.08Å; L311-V342 HydrophobicContact CD2-CG1 3.81Å; V342-W344 HydrophobicContact CB-CD2 4.13Å; V342-W344 HydrophobicContact CB-CG 4.39Å; V342-W344 HydrophobicContact CB-CZ2 3.91Å; V342-W344 HydrophobicContact CG1-CZ2 3.65Å; V342-W344 HydrophobicContact CG2-CD2 4.3Å; V342-W344 HydrophobicContact CG2-CH2 4.48Å; V342-W344 HydrophobicContact CG2-CZ2 4.18Å; V342-I345 HydrophobicContact CG2-CB 3.85Å; V342-I345 HydrophobicContact CG2-CD1 3.89Å; V342-I345 HydrophobicContact CG2-CG1 3.67Å; V342-N348 PolarHBondContact O-ND2 2.94Å; V342-N348 VanDerWaalsContact O-ND2 3.15Å
343	D	89.9	Confident	91.4	Very high	123 Å²	123	54.1 Å²	54.1	66%	0.658	29%	0.291	S	S	*	.	S	Bend	trans	-94.9	-16.1	-178.7	57.6	-4.1	0	0	0	113.2
344	W	90.3	Very high	91.2	Very high	17 Å²	17	53.1 Å²	53.1	6%	0.064	29%	0.285	C	S	.	.	S	Bend	trans	-85.7	-23.5	-178.9	46.3	-97.6	0	0	0	114.3	F260 L311 V342 P346 Y425 A428 A430	F260-W344 AromaticContact CE2-CH2 3.67Å; F260-W344 HydrophobicContact CE2-CH2 3.67Å; F260-W344 AromaticContact CE2-CZ3 3.77Å; F260-W344 HydrophobicContact CE2-CZ3 3.77Å; F260-W344 HydrophobicContact CZ-CH2 4.11Å; F260-W344 AromaticContact CZ-CZ3 3.86Å; F260-W344 HydrophobicContact CZ-CZ3 3.86Å; L311-W344 HydrophobicContact CD2-CH2 3.9Å; L311-W344 HydrophobicContact CD2-CZ2 4.02Å; V342-W344 HydrophobicContact CB-CD2 4.13Å; V342-W344 HydrophobicContact CB-CG 4.39Å; V342-W344 HydrophobicContact CB-CZ2 3.91Å; V342-W344 HydrophobicContact CG1-CZ2 3.65Å; V342-W344 HydrophobicContact CG2-CD2 4.3Å; V342-W344 HydrophobicContact CG2-CH2 4.48Å; V342-W344 HydrophobicContact CG2-CZ2 4.18Å; W344-P346 WeakPolarHBondContact O-CD 3.06Å; W344-Y425 AromaticContact CH2-CD1 3.98Å; W344-Y425 HydrophobicContact CH2-CD1 3.98Å; W344-Y425 HydrophobicContact CZ2-CD1 4.31Å; W344-Y425 WeakPolarHBondContact CZ2-O 3.49Å; W344-A428 PolarHBondContact NE1-O 2.86Å; W344-A430 HydrophobicContact CB-CB 4.27Å
345	I	91.1	Very high	90.9	Very high	27 Å²	27	55.7 Å²	55.7	14%	0.138	30%	0.3	C	S	.	.	S	Bend	trans	-85	110.1	170.1	-54.8	-176.5	0	0	0	110.5	P259 L311 V342 N348	P259-I345 HydrophobicContact CB-CD1 3.81Å; P259-I345 HydrophobicContact CG-CD1 3.71Å; L311-I345 HydrophobicContact CB-CD1 4.13Å; L311-I345 WeakPolarHBondContact O-CD1 3.12Å; V342-I345 HydrophobicContact CG2-CB 3.85Å; V342-I345 HydrophobicContact CG2-CD1 3.89Å; V342-I345 HydrophobicContact CG2-CG1 3.67Å; I345-N348 HydrophobicContact CB-CB 4.14Å; I345-N348 HydrophobicContact CG2-CB 3.87Å
346	P	87.9	Confident	90.6	Very high	101 Å²	101	52.2 Å²	52.2	66%	0.656	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	145.4	176.6	30.7	-35.7	0	0	0	111.4	W344 N348	W344-P346 WeakPolarHBondContact O-CD 3.06Å; P346-N348 PolarHBondContact O-N 3.47Å
347	N	87.4	Confident	90.5	Very high	129 Å²	129	46.2 Å²	46.2	69%	0.69	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.7	174.8	-56.5	-54.5	0	0	0	114.2	V349 K350	N347-V349 PolarHBondContact O-N 2.83Å; N347-V349 VanDerWaalsContact O-N 3.15Å; N347-K350 PolarHBondContact O-NZ 2.91Å
348	N	91.4	Very high	90.4	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.048	26%	0.256	C	S	.	.			trans	-70.9	2	-177.4	59.9	1.5	0	0	0	115.6	L311 T312 V313 Q334 V342 I345 P346	L311-N348 WeakPolarHBondContact O-CB 3.41Å; T312-N348 CarbonylContact C-O 3.59Å; T312-N348 VanDerWaalsContact CA-O 3.25Å; T312-N348 WeakPolarHBondContact CA-O 3.46Å; V313-N348 PolarHBondContact N-O 2.72Å; Q334-N348 PolarHBondContact NE2-OD1 3.2Å; Q334-N348 VanDerWaalsContact NE2-OD1 3.11Å; V342-N348 PolarHBondContact O-ND2 2.94Å; V342-N348 VanDerWaalsContact O-ND2 3.15Å; I345-N348 HydrophobicContact CB-CB 4.14Å; I345-N348 HydrophobicContact CG2-CB 3.87Å; P346-N348 PolarHBondContact O-N 3.47Å
349	V	93.2	Very high	90.1	Very high	27 Å²	27	48 Å²	48	16%	0.164	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.2	174.2	-179.2	0	0	0	0	109.4	V313 M330 Q334 F341 N347	V313-V349 HydrophobicContact CB-CG2 4.38Å; V313-V349 CarbonylContact O-C 3.6Å; V313-V349 WeakPolarHBondContact O-CA 3.25Å; M330-V349 HydrophobicContact CE-CG1 3.43Å; M330-V349 VanDerWaalsContact CE-CG1 3.43Å; Q334-V349 HydrophobicContact CG-CG2 4.22Å; F341-V349 HydrophobicContact CD1-CG2 4.23Å; F341-V349 HydrophobicContact CE1-CG2 3.55Å; F341-V349 HydrophobicContact CZ-CG2 4.09Å; N347-V349 PolarHBondContact O-N 2.83Å; N347-V349 VanDerWaalsContact O-N 3.15Å
350	K	91.2	Very high	89.8	Confident	52 Å²	52	49 Å²	49	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138	175.7	-59	-56.8	-178.4	-154.6	0	110.9	N256 V313 A314 A315 N347	N256-K350 HydrophobicContact CB-CG 4.4Å; V313-K350 PolarHBondContact O-N 3.19Å; A314-K350 CarbonylContact C-O 3.44Å; A314-K350 VanDerWaalsContact CA-O 3.31Å; A314-K350 WeakPolarHBondContact CA-O 3.48Å; A314-K350 HydrophobicContact CB-CB 4.39Å; A315-K350 PolarHBondContact N-O 2.95Å; N347-K350 PolarHBondContact O-NZ 2.91Å
351	T	92.1	Very high	89.6	Confident	23 Å²	23	47.9 Å²	47.9	14%	0.141	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140	176.2	55.4	0	0	0	0	109.3	A315 V326 D327 M330	A315-T351 CarbonylContact O-C 3.59Å; A315-T351 WeakPolarHBondContact O-CA 3.49Å; V326-T351 HydrophobicContact CG1-CG2 4.24Å; D327-T351 PolarHBondContact OD1-OG1 2.81Å; D327-T351 VanDerWaalsContact OD1-OG1 3.06Å; M330-T351 HydrophobicContact CB-CG2 3.94Å; M330-T351 HydrophobicContact CE-CG2 4.23Å; M330-T351 HydrophobicContact CG-CG2 3.55Å; M330-T351 HydrophobicContact SD-CG2 4.49Å
352	A	90.5	Very high	89.4	Confident	5 Å²	5	56.2 Å²	56.2	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.1	171	0	0	0	0	0	109.1	L246 A315 I316 F317	L246-A352 HydrophobicContact CB-CB 4.36Å; A315-A352 PolarHBondContact O-N 3.28Å; I316-A352 HydrophobicContact CG1-CB 4.45Å; I316-A352 HydrophobicContact CG2-CB 4.42Å; F317-A352 PolarHBondContact N-O 3.06Å
353	V	91	Very high	89.4	Confident	20 Å²	20	56.7 Å²	56.7	12%	0.121	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.8	177.3	-173.9	0	0	0	0	108.7	F317 M321 V326	F317-V353 HydrophobicContact CB-CG2 4.26Å; F317-V353 CarbonylContact O-C 3.48Å; F317-V353 WeakPolarHBondContact O-CA 3.26Å; M321-V353 HydrophobicContact CG-CG1 4.05Å; V326-V353 HydrophobicContact CG1-CG2 4.42Å; V326-V353 HydrophobicContact CG2-CG2 4.27Å
354	C	89.1	Confident	89.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.5	170.8	179.4	0	0	0	0	108.8	T238 F317 R318 G319 I356	T238-C354 HydrophobicContact CG2-CB 4.21Å; F317-C354 PolarHBondContact O-N 3.3Å; R318-C354 CarbonylContact C-O 3.56Å; R318-C354 VanDerWaalsContact CA-O 3.24Å; R318-C354 WeakPolarHBondContact CA-O 3.26Å; R318-C354 HydrophobicContact CG-CB 4.46Å; G319-C354 PolarHBondContact N-O 3.18Å; C354-I356 PolarHBondContact O-N 3.19Å; C354-I356 VanDerWaalsContact O-N 3.11Å
355	D	85.9	Confident	90	Very high	103 Å²	103	50 Å²	50	55%	0.551	28%	0.278	S	S	*	.	S	Bend	trans	-70.4	-9	-176.7	-71.6	-33.6	0	0	0	113.9	P357	D355-P357 VanDerWaalsContact O-CD 3.29Å; D355-P357 WeakPolarHBondContact O-CD 3.03Å
356	I	85.8	Confident	90.2	Very high	28 Å²	28	48.7 Å²	48.7	14%	0.144	27%	0.271	C	S	.	.			trans	-94.7	105.6	-178.6	-59.7	174	0	0	0	109.5	L42 F242 R318 C354	L42-I356 HydrophobicContact CB-CD1 3.88Å; L42-I356 HydrophobicContact CD1-CD1 4.48Å; F242-I356 HydrophobicContact CB-CD1 4Å; F242-I356 HydrophobicContact CD1-CD1 3.33Å; F242-I356 HydrophobicContact CD2-CB 4.47Å; F242-I356 HydrophobicContact CD2-CD1 4.26Å; F242-I356 HydrophobicContact CE1-CD1 3.82Å; F242-I356 HydrophobicContact CE2-CG2 4.25Å; F242-I356 HydrophobicContact CG-CD1 3.6Å; F242-I356 HydrophobicContact CZ-CD1 4.44Å; F242-I356 HydrophobicContact CZ-CG2 4.34Å; R318-I356 PolarHBondContact NE-O 3.47Å; C354-I356 PolarHBondContact O-N 3.19Å; C354-I356 VanDerWaalsContact O-N 3.11Å
357	P	88.8	Confident	90.6	Very high	44 Å²	44	43.9 Å²	43.9	29%	0.286	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-72.9	158.2	175.4	33.3	-34.6	0	0	0	110.7	D355 L361 K362	D355-P357 VanDerWaalsContact O-CD 3.29Å; D355-P357 WeakPolarHBondContact O-CD 3.03Å; P357-L361 WeakPolarHBondContact CB-O 3.46Å; P357-K362 WeakPolarHBondContact CB-O 3.38Å
358	P	89.2	Confident	91	Very high	15 Å²	15	37.8 Å²	37.8	10%	0.097	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-59.6	148.6	166.7	-17	29.2	0	0	0	110.8	G360 L361 S364	P358-G360 PolarHBondContact O-N 3Å; P358-L361 HydrophobicContact CB-CD1 4.29Å; P358-L361 HydrophobicContact CG-CD1 4.3Å; P358-L361 PolarHBondContact O-N 3.23Å; P358-S364 WeakPolarHBondContact CD-OG 3.3Å; P358-S364 WeakPolarHBondContact CG-OG 3.47Å
359	R	84.5	Confident	91.2	Very high	129 Å²	129	37.3 Å²	37.3	49%	0.487	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	135.6	176.5	-81.4	-92.4	-157.8	-152.4	-2.2	111.5	D26 L361	D26-R359 HydrophobicContact CB-CG 4.39Å; D26-R359 VanDerWaalsContact CG-CG 3.5Å; D26-R359 PolarHBondContact O-NE 3Å; D26-R359 WeakPolarHBondContact OD1-CD 3.45Å; D26-R359 IonicContact OD1-CZ 2.71Å; D26-R359 IonicContact OD1-NE 3.53Å; D26-R359 PolarHBondContact OD1-NE 3.03Å; D26-R359 IonicContact OD1-NH2 3.75Å; D26-R359 VanDerWaalsContact OD2-CB 3.23Å; D26-R359 WeakPolarHBondContact OD2-CB 3.33Å; D26-R359 WeakPolarHBondContact OD2-CD 3.47Å; D26-R359 WeakPolarHBondContact OD2-CG 3.44Å; D26-R359 IonicContact OD2-NE 3.6Å; R359-L361 PolarHBondContact O-N 3.43Å
360	G	85.2	Confident	91.4	Very high	86 Å²	86	36 Å²	36	89%	0.887	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	-6.5	-176.8	0	0	0	0	0	115.1	P358	P358-G360 PolarHBondContact O-N 3Å
361	L	89.4	Confident	91.6	Very high	51 Å²	51	33.6 Å²	33.6	27%	0.267	19%	0.186	S	C	.	.			trans	-116.3	151.4	176.9	-60.9	178	0	0	0	110.9	F270 P272 P357 P358 R359	F270-L361 HydrophobicContact CE1-CD1 4.28Å; F270-L361 HydrophobicContact CZ-CD1 3.85Å; P272-L361 HydrophobicContact CG-CD2 4.36Å; P357-L361 WeakPolarHBondContact CB-O 3.46Å; P358-L361 HydrophobicContact CB-CD1 4.29Å; P358-L361 HydrophobicContact CG-CD1 4.3Å; P358-L361 PolarHBondContact O-N 3.23Å; R359-L361 PolarHBondContact O-N 3.43Å
362	K	90.5	Very high	91.9	Very high	183 Å²	183	32.5 Å²	32.5	80%	0.796	18%	0.179	S	C	*	.	S	Bend	trans	-86.8	-32.9	172.2	-68.5	-175	179.3	179.6	0	112.2	P357	P357-K362 WeakPolarHBondContact CB-O 3.38Å
363	M	94	Very high	92.2	Very high	18 Å²	18	32.3 Å²	32.3	9%	0.089	18%	0.178	C	C	.	.			trans	-156.6	153	176.8	58.1	-168	-62.8	0	0	109.8	L284 V286 L289 R318 M321	L284-M363 HydrophobicContact CB-CG 3.84Å; L284-M363 HydrophobicContact CB-SD 4.01Å; L284-M363 HydrophobicContact CD1-CG 4.4Å; V286-M363 HydrophobicContact CB-CE 4.47Å; V286-M363 HydrophobicContact CG2-CE 3.72Å; L289-M363 HydrophobicContact CD1-CB 4.29Å; L289-M363 HydrophobicContact CD1-CE 3.56Å; L289-M363 HydrophobicContact CD1-CG 3.98Å; L289-M363 HydrophobicContact CD1-SD 4.48Å; L289-M363 HydrophobicContact CG-CE 4.24Å; R318-M363 CarbonylContact O-C 3.53Å; R318-M363 WeakPolarHBondContact O-CA 3.49Å; R318-M363 WeakPolarHBondContact O-CB 3.47Å; M321-M363 HydrophobicContact CE-CB 3.79Å; M321-M363 HydrophobicContact CE-CE 3.99Å; M321-M363 HydrophobicContact SD-CE 4.12Å
364	S	95.4	Very high	92.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	173.5	174	73	0	0	0	0	109.9	A271 F317 R318 P358	A271-S364 CarbonylContact O-C 3.57Å; A271-S364 VanDerWaalsContact O-CA 3.23Å; A271-S364 WeakPolarHBondContact O-CA 3.42Å; A271-S364 VanDerWaalsContact O-CB 3.28Å; A271-S364 WeakPolarHBondContact O-CB 3.26Å; F317-S364 WeakPolarHBondContact CA-O 3.38Å; R318-S364 PolarHBondContact N-O 3.42Å; R318-S364 PolarHBondContact O-N 3.09Å; P358-S364 WeakPolarHBondContact CD-OG 3.3Å; P358-S364 WeakPolarHBondContact CG-OG 3.47Å
365	V	95.9	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	139.7	170.7	61.8	0	0	0	0	110	A271 L289 M293 A315 I316 F317	A271-V365 HydrophobicContact CB-CG1 3.76Å; A271-V365 PolarHBondContact N-O 2.92Å; A271-V365 PolarHBondContact O-N 3.27Å; L289-V365 HydrophobicContact CB-CG1 3.76Å; L289-V365 HydrophobicContact CD1-CB 4.35Å; L289-V365 HydrophobicContact CD1-CG1 4.2Å; L289-V365 HydrophobicContact CD2-CG1 4.45Å; L289-V365 HydrophobicContact CG-CG1 4.37Å; M293-V365 HydrophobicContact CE-CG2 4.03Å; M293-V365 HydrophobicContact CG-CB 4.35Å; M293-V365 HydrophobicContact CG-CG1 3.35Å; M293-V365 HydrophobicContact CG-CG2 4.12Å; M293-V365 HydrophobicContact SD-CB 3.89Å; M293-V365 HydrophobicContact SD-CG1 3.36Å; M293-V365 WeakPolarHBondContact SD-CG1 3.46Å; M293-V365 HydrophobicContact SD-CG2 3.27Å; M293-V365 WeakPolarHBondContact SD-CG2 3.43Å; A315-V365 HydrophobicContact CB-CG2 4.36Å; I316-V365 CarbonylContact O-C 3.42Å; I316-V365 VanDerWaalsContact O-CA 3.29Å; I316-V365 WeakPolarHBondContact O-CA 3.33Å; F317-V365 HydrophobicContact CD1-CB 3.76Å; F317-V365 HydrophobicContact CD1-CG2 3.84Å; F317-V365 HydrophobicContact CD2-CG2 3.81Å; F317-V365 HydrophobicContact CE1-CB 3.87Å; F317-V365 HydrophobicContact CE1-CG1 4.35Å; F317-V365 HydrophobicContact CE1-CG2 3.84Å; F317-V365 HydrophobicContact CE2-CG2 3.81Å; F317-V365 HydrophobicContact CG-CB 4.16Å; F317-V365 HydrophobicContact CG-CG2 3.83Å; F317-V365 HydrophobicContact CZ-CB 4.34Å; F317-V365 HydrophobicContact CZ-CG2 3.82Å
366	T	95.7	Very high	93.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.3	170.9	-64.6	0	0	0	0	108.8	T232 G235 V236 G269 I316	T232-T366 HydrophobicContact CG2-CG2 4.18Å; G235-T366 WeakPolarHBondContact CA-OG1 3.3Å; V236-T366 HydrophobicContact CG2-CG2 3.92Å; G269-T366 WeakPolarHBondContact O-CA 3.33Å; I316-T366 PolarHBondContact N-O 3.09Å; I316-T366 PolarHBondContact O-N 2.91Å
367	F	96.1	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.8	178	176.2	-95.8	0	0	0	109.5	P268 G269 M293 F294 M299 Y310 V313	P268-F367 CarbonylContact C-O 3.55Å; P268-F367 VanDerWaalsContact CA-O 3.28Å; P268-F367 WeakPolarHBondContact CA-O 3.38Å; G269-F367 PolarHBondContact N-O 3.41Å; G269-F367 PolarHBondContact O-N 3.12Å; M293-F367 HydrophobicContact CB-CB 4.17Å; M293-F367 HydrophobicContact CB-CD2 4.13Å; M293-F367 HydrophobicContact CB-CG 4.4Å; M293-F367 HydrophobicContact CE-CB 4.35Å; M293-F367 HydrophobicContact CE-CD2 3.76Å; M293-F367 HydrophobicContact CG-CB 4.2Å; F294-F367 HydrophobicContact CD1-CE2 4.36Å; F294-F367 AromaticContact CE1-CE2 3.95Å; F294-F367 HydrophobicContact CE1-CE2 3.95Å; F294-F367 HydrophobicContact CE2-CE2 4.45Å; F294-F367 HydrophobicContact CZ-CE2 4.02Å; M299-F367 HydrophobicContact CE-CD1 3.75Å; M299-F367 HydrophobicContact CE-CE1 3.37Å; M299-F367 HydrophobicContact CE-CG 4.48Å; M299-F367 HydrophobicContact CE-CZ 3.81Å; M299-F367 HydrophobicContact SD-CD1 3.51Å; M299-F367 VanDerWaalsContact SD-CD1 3.51Å; M299-F367 HydrophobicContact SD-CE1 3.54Å; M299-F367 VanDerWaalsContact SD-CE1 3.54Å; Y310-F367 HydrophobicContact CD1-CZ 4.44Å; Y310-F367 HydrophobicContact CE1-CE1 4.22Å; Y310-F367 AromaticContact CE1-CZ 3.62Å; Y310-F367 HydrophobicContact CE1-CZ 3.62Å; Y310-F367 AromaticContact CZ-CZ 3.88Å; V313-F367 HydrophobicContact CB-CE2 4.38Å; V313-F367 HydrophobicContact CG1-CD2 4.03Å; V313-F367 HydrophobicContact CG1-CE2 3.42Å; V313-F367 VanDerWaalsContact CG1-CE2 3.42Å; V313-F367 HydrophobicContact CG1-CZ 4.19Å; V313-F367 HydrophobicContact CG2-CE2 4.07Å; V313-F367 HydrophobicContact CG2-CZ 4.08Å
368	I	95.7	Very high	93.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	111.4	171.4	-49.4	170.7	0	0	0	106	Y200 V236 L253 M257 F266 V313 A314 I316	Y200-I368 HydrophobicContact CD1-CG2 4.43Å; Y200-I368 HydrophobicContact CE1-CD1 3.94Å; Y200-I368 HydrophobicContact CE1-CG1 4.03Å; Y200-I368 HydrophobicContact CE1-CG2 3.73Å; V236-I368 HydrophobicContact CG1-CD1 4.33Å; V236-I368 HydrophobicContact CG2-CD1 4.02Å; V236-I368 HydrophobicContact CG2-CG1 4.24Å; L253-I368 HydrophobicContact CD1-CD1 4.45Å; L253-I368 HydrophobicContact CD2-CD1 4.41Å; M257-I368 HydrophobicContact CE-CB 4.22Å; M257-I368 HydrophobicContact CE-CG2 3.91Å; M257-I368 WeakPolarHBondContact CE-O 3.47Å; F266-I368 HydrophobicContact CB-CG2 3.75Å; F266-I368 HydrophobicContact CD1-CG2 4.22Å; F266-I368 HydrophobicContact CD2-CG2 3.94Å; F266-I368 HydrophobicContact CG-CG2 3.71Å; V313-I368 CarbonylContact C-O 3.5Å; V313-I368 WeakPolarHBondContact CA-O 3.33Å; A314-I368 HydrophobicContact CB-CB 4.23Å; A314-I368 HydrophobicContact CB-CD1 4.35Å; A314-I368 PolarHBondContact N-O 2.81Å; A314-I368 PolarHBondContact O-N 3Å; I316-I368 HydrophobicContact CD1-CD1 3.87Å
369	G	95.7	Very high	94.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.2	176.9	0	0	0	0	0	111.1	M267	M267-G369 PolarHBondContact N-O 3.4Å; M267-G369 PolarHBondContact O-N 2.6Å
370	N	97	Very high	94.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110	161.2	-169.5	-15	0	0	0	107.5	M257 L263 F266 Y310 L311 T312	M257-N370 PolarHBondContact O-ND2 2.68Å; L263-N370 PolarHBondContact O-ND2 3.06Å; F266-N370 HydrophobicContact CD1-CB 3.85Å; F266-N370 HydrophobicContact CE1-CB 3.95Å; Y310-N370 CarbonylContact C-O 3.51Å; Y310-N370 WeakPolarHBondContact CA-O 3.33Å; L311-N370 HydrophobicContact CB-CB 4.39Å; L311-N370 PolarHBondContact N-O 2.7Å; T312-N370 PolarHBondContact N-O 3.04Å; T312-N370 PolarHBondContact O-N 2.92Å; T312-N370 VanDerWaalsContact OG1-CB 3.23Å; T312-N370 WeakPolarHBondContact OG1-CB 3.38Å
371	S	96.7	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142	-175.7	-176.6	0	0	0	0	111.6	R309 A373 I374	R309-S371 CarbonylContact O-C 3.59Å; R309-S371 WeakPolarHBondContact O-CA 3.23Å; R309-S371 WeakPolarHBondContact O-CB 3.41Å; R309-S371 PolarHBondContact O-OG 2.84Å; S371-A373 PolarHBondContact O-N 2.87Å; S371-A373 VanDerWaalsContact O-N 3.09Å; S371-A373 PolarHBondContact OG-N 3.33Å; S371-I374 WeakPolarHBondContact O-CB 3.42Å; S371-I374 WeakPolarHBondContact O-CG2 3.48Å; S371-I374 PolarHBondContact O-N 2.87Å
372	T	97.4	Very high	95.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-61.2	-16.8	172.3	70.2	0	0	0	0	113.2	G308 R309 L311 I374 Q375 Y422 Q426	G308-T372 VanDerWaalsContact CA-OG1 3.3Å; G308-T372 WeakPolarHBondContact CA-OG1 3.42Å; R309-T372 PolarHBondContact N-OG1 3.28Å; R309-T372 PolarHBondContact O-N 3.34Å; R309-T372 PolarHBondContact O-OG1 3.4Å; L311-T372 HydrophobicContact CD2-CG2 3.88Å; L311-T372 HydrophobicContact CG-CG2 4.21Å; T372-I374 PolarHBondContact O-N 3.3Å; T372-Q375 WeakPolarHBondContact O-CB 3.5Å; T372-Q375 WeakPolarHBondContact O-CG 3.33Å; T372-Q375 PolarHBondContact O-N 3.11Å; T372-Q375 PolarHBondContact O-NE2 3.43Å; T372-Y422 HydrophobicContact CG2-CD1 4.27Å; T372-Y422 WeakPolarHBondContact CG2-O 3.36Å; T372-Q426 HydrophobicContact CG2-CB 3.92Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.47Å; T372-Q426 PolarHBondContact OG1-OE1 3.24Å
373	A	96.4	Very high	95.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-63.6	-20.9	173.3	0	0	0	0	0	113	C303 D304 S371 Q375 E376	C303-A373 HydrophobicContact CB-CB 4.38Å; C303-A373 WeakPolarHBondContact CB-O 3.15Å; D304-A373 WeakPolarHBondContact O-CB 3.5Å; S371-A373 PolarHBondContact O-N 2.87Å; S371-A373 VanDerWaalsContact O-N 3.09Å; S371-A373 PolarHBondContact OG-N 3.33Å; A373-Q375 PolarHBondContact O-N 3.28Å; A373-E376 WeakPolarHBondContact O-CB 3.21Å; A373-E376 WeakPolarHBondContact O-CG 3.33Å; A373-E376 PolarHBondContact O-N 3.47Å
374	I	96.3	Very high	95.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-58.2	-22.9	176	-164.3	66.4	0	0	0	112.4	C201 F265 M267 A301 S371 T372 E376 L377 F378 Y422	C201-I374 HydrophobicContact CB-CD1 4.01Å; F265-I374 HydrophobicContact CB-CG1 4.11Å; M267-I374 HydrophobicContact CG-CD1 3.77Å; A301-I374 HydrophobicContact CB-CD1 4.29Å; S371-I374 WeakPolarHBondContact O-CB 3.42Å; S371-I374 WeakPolarHBondContact O-CG2 3.48Å; S371-I374 PolarHBondContact O-N 2.87Å; T372-I374 PolarHBondContact O-N 3.3Å; I374-E376 PolarHBondContact O-N 3.21Å; I374-E376 VanDerWaalsContact O-N 3.1Å; I374-L377 HydrophobicContact CD1-CB 4.38Å; I374-L377 HydrophobicContact CD1-CD1 4.22Å; I374-L377 VanDerWaalsContact O-CB 3.31Å; I374-L377 WeakPolarHBondContact O-CB 3.33Å; I374-L377 PolarHBondContact O-N 3.36Å; I374-F378 HydrophobicContact CG1-CE2 4Å; I374-F378 HydrophobicContact CG1-CZ 4.11Å; I374-F378 HydrophobicContact CG2-CE2 3.98Å; I374-Y422 HydrophobicContact CG2-CD1 4.15Å; I374-Y422 HydrophobicContact CG2-CD2 4.14Å; I374-Y422 HydrophobicContact CG2-CE1 3.62Å; I374-Y422 HydrophobicContact CG2-CE2 3.65Å; I374-Y422 HydrophobicContact CG2-CG 4.38Å
375	Q	95.5	Very high	95.2	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-56.4	-26.6	173.9	78.2	-178	-76.1	0	0	113.2	T372 A373 L377 F378 K379 V419 Q423 Q426	T372-Q375 WeakPolarHBondContact O-CB 3.5Å; T372-Q375 WeakPolarHBondContact O-CG 3.33Å; T372-Q375 PolarHBondContact O-N 3.11Å; T372-Q375 PolarHBondContact O-NE2 3.43Å; A373-Q375 PolarHBondContact O-N 3.28Å; Q375-L377 VanDerWaalsContact C-N 3.26Å; Q375-L377 PolarHBondContact O-N 3.48Å; Q375-F378 PolarHBondContact O-N 3.04Å; Q375-K379 WeakPolarHBondContact O-CB 3.27Å; Q375-K379 VanDerWaalsContact O-CG 3.29Å; Q375-K379 WeakPolarHBondContact O-CG 3.25Å; Q375-K379 PolarHBondContact O-N 2.89Å; Q375-V419 HydrophobicContact CB-CG1 4.41Å; Q375-V419 HydrophobicContact CB-CG2 4.43Å; Q375-Q423 VanDerWaalsContact OE1-OE1 3.13Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.08Å
376	E	94.4	Very high	95.2	Very high	61 Å²	61	21.1 Å²	21.1	29%	0.285	10%	0.099	S	C	.	.	H	α-helix	trans	-61.2	-37.3	175.5	-66.4	-170.4	144	0	0	111.9	C303 D304 H307 A373 I374 R380	C303-E376 WeakPolarHBondContact CA-OE2 3.35Å; C303-E376 HydrophobicContact CB-CB 4.47Å; D304-E376 PolarHBondContact N-OE2 3.28Å; H307-E376 WeakPolarHBondContact CB-OE1 3.4Å; H307-E376 IonicContact CE1-OE1 2.82Å; H307-E376 IonicContact CG-OE1 2.87Å; H307-E376 IonicContact ND1-OE1 2.69Å; H307-E376 PolarHBondContact ND1-OE1 3.09Å; H307-E376 IonicContact ND1-OE2 3.44Å; A373-E376 WeakPolarHBondContact O-CB 3.21Å; A373-E376 WeakPolarHBondContact O-CG 3.33Å; A373-E376 PolarHBondContact O-N 3.47Å; I374-E376 PolarHBondContact O-N 3.21Å; I374-E376 VanDerWaalsContact O-N 3.1Å; E376-R380 WeakPolarHBondContact O-CB 3.14Å; E376-R380 PolarHBondContact O-N 3.28Å
377	L	93.9	Very high	95.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-45.5	176.9	-178.3	150.9	0	0	0	110.5	V170 C201 A301 I374 Q375 R380 V381	V170-L377 HydrophobicContact CB-CD1 4.22Å; V170-L377 HydrophobicContact CG1-CD1 4.02Å; V170-L377 HydrophobicContact CG1-CD2 3.75Å; V170-L377 HydrophobicContact CG1-CG 3.96Å; V170-L377 HydrophobicContact CG2-CD1 3.95Å; V170-L377 HydrophobicContact CG2-CD2 4.16Å; C201-L377 HydrophobicContact CB-CD1 4.35Å; A301-L377 HydrophobicContact CB-CD1 4.45Å; I374-L377 HydrophobicContact CD1-CB 4.38Å; I374-L377 HydrophobicContact CD1-CD1 4.22Å; I374-L377 VanDerWaalsContact O-CB 3.31Å; I374-L377 WeakPolarHBondContact O-CB 3.33Å; I374-L377 PolarHBondContact O-N 3.36Å; Q375-L377 VanDerWaalsContact C-N 3.26Å; Q375-L377 PolarHBondContact O-N 3.48Å; L377-R380 PolarHBondContact O-N 3.02Å; L377-V381 WeakPolarHBondContact O-CG2 3.19Å; L377-V381 PolarHBondContact O-N 3Å; L377-V381 VanDerWaalsContact O-N 3.16Å
378	F	95.6	Very high	95	Very high	2 Å²	2	25 Å²	25	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-67.6	-43.5	178.2	-57.1	-46.5	0	0	0	112.3	V189 F265 I374 Q375 R380 V381 S382 M415 L418 V419 Y422	V189-F378 HydrophobicContact CG1-CD1 4.18Å; V189-F378 HydrophobicContact CG1-CE1 4.04Å; V189-F378 HydrophobicContact CG2-CD1 4.31Å; V189-F378 HydrophobicContact CG2-CE1 4.1Å; F265-F378 HydrophobicContact CB-CZ 4.05Å; F265-F378 HydrophobicContact CD1-CE1 4.25Å; F265-F378 AromaticContact CD1-CZ 3.65Å; F265-F378 HydrophobicContact CD1-CZ 3.65Å; F265-F378 HydrophobicContact CD2-CE2 4.36Å; F265-F378 AromaticContact CD2-CZ 3.96Å; F265-F378 HydrophobicContact CD2-CZ 3.96Å; F265-F378 HydrophobicContact CE1-CE1 4.3Å; F265-F378 HydrophobicContact CE1-CZ 4Å; F265-F378 HydrophobicContact CE2-CZ 4.29Å; F265-F378 HydrophobicContact CG-CE2 4.3Å; F265-F378 AromaticContact CG-CZ 3.61Å; F265-F378 HydrophobicContact CG-CZ 3.61Å; F265-F378 HydrophobicContact CZ-CZ 4.31Å; I374-F378 HydrophobicContact CG1-CE2 4Å; I374-F378 HydrophobicContact CG1-CZ 4.11Å; I374-F378 HydrophobicContact CG2-CE2 3.98Å; Q375-F378 PolarHBondContact O-N 3.04Å; F378-R380 VanDerWaalsContact C-N 3.29Å; F378-R380 PolarHBondContact O-N 3.5Å; F378-V381 PolarHBondContact O-N 2.93Å; F378-S382 WeakPolarHBondContact O-CB 3.49Å; F378-S382 PolarHBondContact O-N 3.3Å; F378-M415 HydrophobicContact CB-CG 4.08Å; F378-M415 HydrophobicContact CB-SD 4.32Å; F378-L418 HydrophobicContact CD2-CD2 3.88Å; F378-L418 HydrophobicContact CD2-CG 4.48Å; F378-L418 HydrophobicContact CE1-CD2 4.49Å; F378-L418 HydrophobicContact CE2-CD2 3.66Å; F378-L418 HydrophobicContact CE2-CG 4.42Å; F378-L418 HydrophobicContact CG-CD2 4.41Å; F378-L418 HydrophobicContact CZ-CD2 4Å; F378-V419 HydrophobicContact CB-CG2 3.62Å; F378-Y422 HydrophobicContact CD2-CE2 4.39Å; F378-Y422 HydrophobicContact CE2-CD2 4.43Å; F378-Y422 AromaticContact CE2-CE2 3.82Å; F378-Y422 HydrophobicContact CE2-CE2 3.82Å
379	K	95.1	Very high	95	Very high	80 Å²	80	26.4 Å²	26.4	35%	0.348	13%	0.132	S	C	.	.	H	α-helix	trans	-56.2	-44.3	174.4	-74.3	176.3	-173	176.8	0	111.3	Q375 V381 S382 E383 V419	Q375-K379 WeakPolarHBondContact O-CB 3.27Å; Q375-K379 VanDerWaalsContact O-CG 3.29Å; Q375-K379 WeakPolarHBondContact O-CG 3.25Å; Q375-K379 PolarHBondContact O-N 2.89Å; K379-V381 PolarHBondContact O-N 3.27Å; K379-S382 WeakPolarHBondContact O-CB 3.48Å; K379-S382 PolarHBondContact O-N 2.86Å; K379-E383 WeakPolarHBondContact O-CG 3.29Å; K379-E383 PolarHBondContact O-N 3.34Å; K379-V419 HydrophobicContact CD-CG1 4.21Å; K379-V419 HydrophobicContact CG-CG1 3.89Å; K379-V419 HydrophobicContact CG-CG2 4.22Å
380	R	92.7	Very high	95	Very high	48 Å²	48	36.2 Å²	36.2	18%	0.181	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-43	178.1	-175.6	-179.2	68.2	-151.7	4.2	112.8	D203 E376 L377 F378 Q384	D203-R380 IonicContact OD2-CZ 2.69Å; D203-R380 IonicContact OD2-NH1 3.8Å; D203-R380 PolarHBondContact OD2-NH1 2.8Å; D203-R380 IonicContact OD2-NH2 3.96Å; D203-R380 PolarHBondContact OD2-NH2 3.07Å; E376-R380 WeakPolarHBondContact O-CB 3.14Å; E376-R380 PolarHBondContact O-N 3.28Å; L377-R380 PolarHBondContact O-N 3.02Å; F378-R380 VanDerWaalsContact C-N 3.29Å; F378-R380 PolarHBondContact O-N 3.5Å; R380-Q384 WeakPolarHBondContact O-CG 3.36Å; R380-Q384 PolarHBondContact O-N 3.45Å
381	V	93	Very high	95	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-45.3	175.6	173.2	0	0	0	0	110.1	V170 A185 T186 L377 F378 K379 E383 Q384 F385 M415	V170-V381 HydrophobicContact CG1-CG2 4.46Å; A185-V381 HydrophobicContact CB-CG1 3.8Å; A185-V381 HydrophobicContact CB-CG2 4.45Å; T186-V381 WeakPolarHBondContact OG1-CG1 3.47Å; L377-V381 WeakPolarHBondContact O-CG2 3.19Å; L377-V381 PolarHBondContact O-N 3Å; L377-V381 VanDerWaalsContact O-N 3.16Å; F378-V381 PolarHBondContact O-N 2.93Å; K379-V381 PolarHBondContact O-N 3.27Å; V381-E383 PolarHBondContact O-N 3.17Å; V381-Q384 PolarHBondContact O-N 3.02Å; V381-F385 WeakPolarHBondContact O-CB 3.31Å; V381-F385 PolarHBondContact O-N 2.91Å; V381-M415 HydrophobicContact CB-SD 4.39Å; V381-M415 HydrophobicContact CG1-CE 4.46Å; V381-M415 HydrophobicContact CG1-SD 4.22Å
382	S	94.1	Very high	94.9	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-46.7	178.3	-162.6	0	0	0	0	112.6	F378 K379 Q384 F385 T386 M415 N416	F378-S382 WeakPolarHBondContact O-CB 3.49Å; F378-S382 PolarHBondContact O-N 3.3Å; K379-S382 WeakPolarHBondContact O-CB 3.48Å; K379-S382 PolarHBondContact O-N 2.86Å; S382-Q384 VanDerWaalsContact C-N 3.27Å; S382-Q384 PolarHBondContact O-N 3.06Å; S382-F385 WeakPolarHBondContact O-CB 3.37Å; S382-F385 PolarHBondContact O-N 3.34Å; S382-T386 WeakPolarHBondContact O-CB 3.33Å; S382-T386 PolarHBondContact O-N 2.81Å; S382-T386 PolarHBondContact O-OG1 3.35Å; S382-M415 VanDerWaalsContact CA-CE 3.46Å; S382-M415 VanDerWaalsContact CB-CE 3.46Å; S382-N416 PolarHBondContact OG-OD1 2.76Å
383	E	94	Very high	94.8	Very high	143 Å²	143	53.6 Å²	53.6	67%	0.668	24%	0.244	S	C	*	.	H	α-helix	trans	-58.8	-41.1	-179.5	-77.1	174.9	-175.3	0	0	112.1	K379 V381 A387	K379-E383 WeakPolarHBondContact O-CG 3.29Å; K379-E383 PolarHBondContact O-N 3.34Å; V381-E383 PolarHBondContact O-N 3.17Å; E383-A387 WeakPolarHBondContact O-CB 3.5Å; E383-A387 PolarHBondContact O-N 3.47Å; E383-A387 VanDerWaalsContact O-N 3.11Å
384	Q	93.1	Very high	94.7	Very high	61 Å²	61	56.9 Å²	56.9	29%	0.285	26%	0.259	S	S	.	.	H	α-helix	trans	-72	-43	178.5	-67.3	168.9	18.5	0	0	111.6	P182 R380 V381 S382 A387 M388	P182-Q384 HydrophobicContact CB-CB 3.83Å; P182-Q384 HydrophobicContact CG-CB 3.68Å; R380-Q384 WeakPolarHBondContact O-CG 3.36Å; R380-Q384 PolarHBondContact O-N 3.45Å; V381-Q384 PolarHBondContact O-N 3.02Å; S382-Q384 VanDerWaalsContact C-N 3.27Å; S382-Q384 PolarHBondContact O-N 3.06Å; Q384-A387 PolarHBondContact O-N 3.45Å; Q384-M388 WeakPolarHBondContact O-CG 3.49Å; Q384-M388 PolarHBondContact O-N 3.38Å; Q384-M388 VanDerWaalsContact O-N 3.09Å
385	F	95	Very high	94.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-54	-55.6	172.8	175.5	-80.8	0	0	0	110.6	P182 Y183 T186 V381 S382 A387 M388 F389 F408 E412	P182-F385 HydrophobicContact CB-CB 4.35Å; Y183-F385 AromaticContact CD1-CD2 3.46Å; Y183-F385 HydrophobicContact CD1-CD2 3.46Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.46Å; Y183-F385 AromaticContact CD1-CE2 3.49Å; Y183-F385 HydrophobicContact CD1-CE2 3.49Å; Y183-F385 VanDerWaalsContact CD1-CE2 3.49Å; Y183-F385 HydrophobicContact CD1-CG 4.32Å; Y183-F385 HydrophobicContact CD1-CZ 4.35Å; Y183-F385 HydrophobicContact CE1-CD2 4.04Å; Y183-F385 HydrophobicContact CE1-CE2 4.02Å; Y183-F385 HydrophobicContact CE1-CZ 4.48Å; T186-F385 VanDerWaalsContact CB-CD2 3.47Å; T186-F385 HydrophobicContact CG2-CD2 3.67Å; T186-F385 HydrophobicContact CG2-CE2 3.7Å; T186-F385 HydrophobicContact CG2-CG 4.22Å; T186-F385 HydrophobicContact CG2-CZ 4.32Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.16Å; V381-F385 WeakPolarHBondContact O-CB 3.31Å; V381-F385 PolarHBondContact O-N 2.91Å; S382-F385 WeakPolarHBondContact O-CB 3.37Å; S382-F385 PolarHBondContact O-N 3.34Å; F385-A387 VanDerWaalsContact C-N 3.28Å; F385-A387 PolarHBondContact O-N 3.24Å; F385-M388 PolarHBondContact O-N 2.82Å; F385-F389 HydrophobicContact CD1-CB 4.24Å; F385-F389 HydrophobicContact CE1-CB 3.9Å; F385-F389 HydrophobicContact CE1-CD1 4.48Å; F385-F389 HydrophobicContact CE1-CD2 4.32Å; F385-F389 AromaticContact CE1-CG 3.99Å; F385-F389 HydrophobicContact CE1-CG 3.99Å; F385-F389 HydrophobicContact CZ-CB 4.44Å; F385-F389 HydrophobicContact CZ-CD2 4.17Å; F385-F389 HydrophobicContact CZ-CG 4.3Å; F385-F389 WeakPolarHBondContact O-CB 3.18Å; F385-F389 PolarHBondContact O-N 3.27Å; F385-F408 AromaticContact CE2-CD1 3.82Å; F385-F408 HydrophobicContact CE2-CD1 3.82Å; F385-F408 HydrophobicContact CZ-CB 3.99Å; F385-F408 AromaticContact CZ-CD1 3.93Å; F385-F408 HydrophobicContact CZ-CD1 3.93Å; F385-F408 HydrophobicContact CZ-CG 4.48Å; F385-F408 WeakPolarHBondContact CZ-O 3.44Å; F385-E412 HydrophobicContact CD1-CB 4.14Å; F385-E412 HydrophobicContact CD1-CG 3.92Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.49Å; F385-E412 HydrophobicContact CE1-CB 3.59Å; F385-E412 VanDerWaalsContact CE1-CD 3.46Å; F385-E412 HydrophobicContact CE1-CG 3.79Å; F385-E412 HydrophobicContact CZ-CB 4.08Å
386	T	95.9	Very high	94.7	Very high	26 Å²	26	62.9 Å²	62.9	16%	0.16	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-40.8	-177.7	-55.9	0	0	0	0	111	S382 M388 F389 R390 E412	S382-T386 WeakPolarHBondContact O-CB 3.33Å; S382-T386 PolarHBondContact O-N 2.81Å; S382-T386 PolarHBondContact O-OG1 3.35Å; T386-M388 VanDerWaalsContact C-N 3.33Å; T386-M388 PolarHBondContact O-N 2.87Å; T386-F389 PolarHBondContact O-N 3.42Å; T386-R390 HydrophobicContact CG2-CG 4.23Å; T386-R390 VanDerWaalsContact CG2-NE 3.31Å; T386-R390 WeakPolarHBondContact O-CB 3.4Å; T386-R390 WeakPolarHBondContact O-CG 3.3Å; T386-R390 PolarHBondContact O-N 3.19Å; T386-E412 WeakPolarHBondContact CB-OE1 3.43Å; T386-E412 PolarHBondContact OG1-OE1 3.31Å
387	A	94.1	Very high	94.8	Very high	52 Å²	52	65.5 Å²	65.5	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-38.5	178	0	0	0	0	0	112.8	E383 Q384 F385	E383-A387 WeakPolarHBondContact O-CB 3.5Å; E383-A387 PolarHBondContact O-N 3.47Å; E383-A387 VanDerWaalsContact O-N 3.11Å; Q384-A387 PolarHBondContact O-N 3.45Å; F385-A387 VanDerWaalsContact C-N 3.28Å; F385-A387 PolarHBondContact O-N 3.24Å
388	M	94.4	Very high	95	Very high	29 Å²	29	65.4 Å²	65.4	14%	0.143	29%	0.294	C	S	.	.	H	α-helix	trans	-74.4	-46.8	175.9	-68.3	-178.6	63.7	0	0	112.1	V179 P182 Y183 Q384 F385 T386 R390 R391 K392 A393 F394	V179-M388 WeakPolarHBondContact O-CE 3.14Å; P182-M388 HydrophobicContact CB-SD 4.11Å; P182-M388 HydrophobicContact CG-SD 3.77Å; Y183-M388 HydrophobicContact CD2-CE 4.16Å; Y183-M388 HydrophobicContact CE1-CB 3.99Å; Y183-M388 HydrophobicContact CE2-CB 4.48Å; Y183-M388 HydrophobicContact CE2-CE 3.84Å; Y183-M388 WeakPolarHBondContact OH-CB 3.44Å; Y183-M388 PolarHBondContact OH-O 3.13Å; Q384-M388 WeakPolarHBondContact O-CG 3.49Å; Q384-M388 PolarHBondContact O-N 3.38Å; Q384-M388 VanDerWaalsContact O-N 3.09Å; F385-M388 PolarHBondContact O-N 2.82Å; T386-M388 VanDerWaalsContact C-N 3.33Å; T386-M388 PolarHBondContact O-N 2.87Å; M388-R390 PolarHBondContact O-N 3.01Å; M388-R391 PolarHBondContact O-N 3.26Å; M388-R391 VanDerWaalsContact O-N 3.09Å; M388-K392 PolarHBondContact O-N 3.09Å; M388-A393 HydrophobicContact CB-CB 4.48Å; M388-A393 PolarHBondContact O-N 2.61Å; M388-A393 VanDerWaalsContact O-N 3.13Å; M388-F394 HydrophobicContact CE-CD2 3.85Å; M388-F394 HydrophobicContact CE-CE2 4.42Å
389	F	95.8	Very high	95	Very high	30 Å²	30	68 Å²	68	13%	0.132	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-44.1	-175.5	-168	-106.8	0	0	0	111.7	Y183 F385 T386 R391 K392 L395 E405 F408 T409	Y183-F389 HydrophobicContact CE1-CB 4.12Å; Y183-F389 HydrophobicContact CE1-CD2 4.25Å; Y183-F389 WeakPolarHBondContact OH-CA 3.34Å; Y183-F389 PolarHBondContact OH-N 3.38Å; F385-F389 HydrophobicContact CD1-CB 4.24Å; F385-F389 HydrophobicContact CE1-CB 3.9Å; F385-F389 HydrophobicContact CE1-CD1 4.48Å; F385-F389 HydrophobicContact CE1-CD2 4.32Å; F385-F389 AromaticContact CE1-CG 3.99Å; F385-F389 HydrophobicContact CE1-CG 3.99Å; F385-F389 HydrophobicContact CZ-CB 4.44Å; F385-F389 HydrophobicContact CZ-CD2 4.17Å; F385-F389 HydrophobicContact CZ-CG 4.3Å; F385-F389 WeakPolarHBondContact O-CB 3.18Å; F385-F389 PolarHBondContact O-N 3.27Å; T386-F389 PolarHBondContact O-N 3.42Å; F389-R391 PolarHBondContact O-N 3.37Å; F389-R391 VanDerWaalsContact O-N 3.11Å; F389-K392 WeakPolarHBondContact O-CA 3.46Å; F389-K392 PolarHBondContact O-N 3.06Å; F389-L395 HydrophobicContact CD2-CD1 4.06Å; F389-L395 HydrophobicContact CD2-CD2 3.72Å; F389-L395 HydrophobicContact CD2-CG 4.49Å; F389-L395 HydrophobicContact CE2-CD1 3.86Å; F389-L395 HydrophobicContact CE2-CD2 3.9Å; F389-E405 HydrophobicContact CE2-CG 4.34Å; F389-E405 HydrophobicContact CZ-CG 4.16Å; F389-F408 HydrophobicContact CD2-CB 4.05Å; F389-F408 HydrophobicContact CD2-CD1 4.29Å; F389-F408 HydrophobicContact CD2-CG 4.28Å; F389-F408 HydrophobicContact CE2-CB 3.43Å; F389-F408 VanDerWaalsContact CE2-CB 3.43Å; F389-F408 HydrophobicContact CE2-CD1 4.27Å; F389-F408 HydrophobicContact CE2-CD2 4.4Å; F389-F408 AromaticContact CE2-CG 3.81Å; F389-F408 HydrophobicContact CE2-CG 3.81Å; F389-F408 HydrophobicContact CZ-CB 3.98Å; F389-T409 HydrophobicContact CE1-CG2 3.81Å; F389-T409 HydrophobicContact CZ-CG2 3.81Å
390	R	95.4	Very high	95.1	Very high	206 Å²	206	67.1 Å²	67.1	78%	0.777	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.3	175.2	-76.7	177.5	-178.4	175.8	6.1	113.5	T386 M388	T386-R390 HydrophobicContact CG2-CG 4.23Å; T386-R390 VanDerWaalsContact CG2-NE 3.31Å; T386-R390 WeakPolarHBondContact O-CB 3.4Å; T386-R390 WeakPolarHBondContact O-CG 3.3Å; T386-R390 PolarHBondContact O-N 3.19Å; M388-R390 PolarHBondContact O-N 3.01Å
391	R	95.9	Very high	95.2	Very high	211 Å²	211	67.5 Å²	67.5	80%	0.796	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.1	178.4	-64.1	179	-179.2	178.3	2.8	112.8	M388 F389 A393	M388-R391 PolarHBondContact O-N 3.26Å; M388-R391 VanDerWaalsContact O-N 3.09Å; F389-R391 PolarHBondContact O-N 3.37Å; F389-R391 VanDerWaalsContact O-N 3.11Å; R391-A393 HydrophobicContact CB-CB 4.48Å; R391-A393 PolarHBondContact O-N 2.89Å; R391-A393 VanDerWaalsContact O-N 3.15Å
392	K	95.4	Very high	95.3	Very high	125 Å²	125	70.2 Å²	70.2	54%	0.543	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	32.2	-169.7	-58.2	-163.7	174.7	-126.9	0	112.6	M388 F389 F394 L395 E405	M388-K392 PolarHBondContact O-N 3.09Å; F389-K392 WeakPolarHBondContact O-CA 3.46Å; F389-K392 PolarHBondContact O-N 3.06Å; K392-F394 PolarHBondContact O-N 2.87Å; K392-L395 HydrophobicContact CB-CD1 3.73Å; K392-L395 HydrophobicContact CB-CG 4.32Å; K392-L395 HydrophobicContact CD-CD1 4.4Å; K392-L395 HydrophobicContact CG-CD1 3.83Å; K392-E405 IonicContact NZ-OE1 3.46Å; K392-E405 PolarHBondContact NZ-OE1 3.36Å; K392-E405 IonicContact NZ-OE2 3.5Å; K392-E405 PolarHBondContact NZ-OE2 2.9Å
393	A	94.7	Very high	95.5	Very high	29 Å²	29	70 Å²	70	24%	0.24	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	128.9	-178.2	0	0	0	0	0	109	Y183 M388 R391 L395	Y183-A393 WeakPolarHBondContact CE2-O 3.27Å; Y183-A393 PolarHBondContact OH-O 2.86Å; M388-A393 HydrophobicContact CB-CB 4.48Å; M388-A393 PolarHBondContact O-N 2.61Å; M388-A393 VanDerWaalsContact O-N 3.13Å; R391-A393 HydrophobicContact CB-CB 4.48Å; R391-A393 PolarHBondContact O-N 2.89Å; R391-A393 VanDerWaalsContact O-N 3.15Å; A393-L395 PolarHBondContact O-N 3.27Å
394	F	95.3	Very high	95.6	Very high	70 Å²	70	67.2 Å²	67.2	31%	0.307	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	4.8	177.1	-48.9	-76.7	0	0	0	117.1	V179 V180 M388 K392 H396 W397	V179-F394 HydrophobicContact CB-CE2 4.29Å; V179-F394 HydrophobicContact CB-CZ 4.48Å; V179-F394 HydrophobicContact CG2-CD2 4.35Å; V179-F394 HydrophobicContact CG2-CE1 4.22Å; V179-F394 HydrophobicContact CG2-CE2 3.84Å; V179-F394 HydrophobicContact CG2-CZ 3.77Å; V180-F394 HydrophobicContact CG1-CB 3.83Å; V180-F394 HydrophobicContact CG1-CD2 4.16Å; V180-F394 HydrophobicContact CG1-CG 3.95Å; M388-F394 HydrophobicContact CE-CD2 3.85Å; M388-F394 HydrophobicContact CE-CE2 4.42Å; K392-F394 PolarHBondContact O-N 2.87Å; F394-H396 PolarHBondContact O-N 3.31Å; F394-W397 HydrophobicContact CB-CD2 4.31Å; F394-W397 HydrophobicContact CB-CE3 4.46Å; F394-W397 HydrophobicContact CD1-CD2 4.09Å; F394-W397 AromaticContact CD1-CE2 3.83Å; F394-W397 HydrophobicContact CD1-CE3 4.18Å; F394-W397 AromaticContact CD1-CH2 3.83Å; F394-W397 HydrophobicContact CD1-CH2 3.83Å; F394-W397 AromaticContact CD1-CZ2 3.7Å; F394-W397 HydrophobicContact CD1-CZ2 3.7Å; F394-W397 HydrophobicContact CD1-CZ3 4.06Å; F394-W397 HydrophobicContact CE1-CH2 4Å; F394-W397 HydrophobicContact CE1-CZ2 4.03Å; F394-W397 VanDerWaalsContact O-CB 3.29Å; F394-W397 WeakPolarHBondContact O-CB 3.39Å; F394-W397 PolarHBondContact O-N 3.07Å
395	L	95.2	Very high	95.6	Very high	9 Å²	9	68 Å²	68	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-56.7	-38.1	-177.7	-68.3	-175	0	0	0	113.4	Y183 F389 K392 A393 W397 Y398 T399 F408	Y183-L395 HydrophobicContact CE1-CD2 4.15Å; Y183-L395 HydrophobicContact CE2-CD2 3.85Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.34Å; F389-L395 HydrophobicContact CD2-CD1 4.06Å; F389-L395 HydrophobicContact CD2-CD2 3.72Å; F389-L395 HydrophobicContact CD2-CG 4.49Å; F389-L395 HydrophobicContact CE2-CD1 3.86Å; F389-L395 HydrophobicContact CE2-CD2 3.9Å; K392-L395 HydrophobicContact CB-CD1 3.73Å; K392-L395 HydrophobicContact CB-CG 4.32Å; K392-L395 HydrophobicContact CD-CD1 4.4Å; K392-L395 HydrophobicContact CG-CD1 3.83Å; A393-L395 PolarHBondContact O-N 3.27Å; L395-W397 PolarHBondContact O-N 3.44Å; L395-W397 VanDerWaalsContact O-N 3.09Å; L395-Y398 PolarHBondContact O-N 3Å; L395-T399 PolarHBondContact O-N 3.32Å; L395-T399 PolarHBondContact O-OG1 2.97Å; L395-F408 HydrophobicContact CD2-CD1 4.3Å; L395-F408 HydrophobicContact CD2-CE1 4.04Å; L395-F408 HydrophobicContact CD2-CE2 4.33Å; L395-F408 HydrophobicContact CD2-CZ 4.04Å
396	H	95.5	Very high	95.7	Very high	122 Å²	122	73.9 Å²	73.9	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-60.2	-18	176.9	67.5	-74.1	0	0	0	114.2	F394 Y398 T399 G400	F394-H396 PolarHBondContact O-N 3.31Å; H396-Y398 VanDerWaalsContact C-N 3.33Å; H396-T399 WeakPolarHBondContact CA-OG1 3.14Å; H396-G400 PolarHBondContact O-N 3.21Å; H396-G400 VanDerWaalsContact O-N 3.09Å
397	W	96	Very high	95.8	Very high	115 Å²	115	74.7 Å²	74.7	44%	0.436	38%	0.379	S	S	.	.	H	α-helix	trans	-73	-29.6	173	-64.6	5.2	0	0	0	111.3	N100 V180 F394 L395 E401	N100-W397 PolarHBondContact ND2-O 3.35Å; V180-W397 HydrophobicContact CG1-CE3 4.19Å; V180-W397 HydrophobicContact CG1-CZ3 4.33Å; F394-W397 HydrophobicContact CB-CD2 4.31Å; F394-W397 HydrophobicContact CB-CE3 4.46Å; F394-W397 HydrophobicContact CD1-CD2 4.09Å; F394-W397 AromaticContact CD1-CE2 3.83Å; F394-W397 HydrophobicContact CD1-CE3 4.18Å; F394-W397 AromaticContact CD1-CH2 3.83Å; F394-W397 HydrophobicContact CD1-CH2 3.83Å; F394-W397 AromaticContact CD1-CZ2 3.7Å; F394-W397 HydrophobicContact CD1-CZ2 3.7Å; F394-W397 HydrophobicContact CD1-CZ3 4.06Å; F394-W397 HydrophobicContact CE1-CH2 4Å; F394-W397 HydrophobicContact CE1-CZ2 4.03Å; F394-W397 VanDerWaalsContact O-CB 3.29Å; F394-W397 WeakPolarHBondContact O-CB 3.39Å; F394-W397 PolarHBondContact O-N 3.07Å; L395-W397 PolarHBondContact O-N 3.44Å; L395-W397 VanDerWaalsContact O-N 3.09Å; W397-E401 WeakPolarHBondContact O-CG 3.45Å
398	Y	98	Very high	95.9	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-90	-47.1	-179.8	-67.6	-109.3	0	0	0	110.9	N100 W101 A102 V180 Y183 N184 L187 L395 H396 G400 E401 M403 F408	N100-Y398 WeakPolarHBondContact OD1-CD1 3.46Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.5Å; W101-Y398 HydrophobicContact CB-CE1 4.02Å; A102-Y398 HydrophobicContact CB-CD1 3.77Å; A102-Y398 HydrophobicContact CB-CG 4.21Å; V180-Y398 HydrophobicContact CB-CE2 4.27Å; V180-Y398 VanDerWaalsContact CB-OH 3.3Å; V180-Y398 WeakPolarHBondContact CB-OH 3.35Å; V180-Y398 HydrophobicContact CG1-CE2 4.37Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.49Å; V180-Y398 PolarHBondContact O-OH 2.95Å; Y183-Y398 HydrophobicContact CD2-CD2 4.33Å; Y183-Y398 AromaticContact CD2-CE2 3.67Å; Y183-Y398 HydrophobicContact CD2-CE2 3.67Å; Y183-Y398 AromaticContact CD2-CZ 3.98Å; Y183-Y398 HydrophobicContact CE2-CE2 4.48Å; Y183-Y398 HydrophobicContact CG-CE2 4.44Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.15Å; N184-Y398 PolarHBondContact OD1-OH 3.27Å; L187-Y398 HydrophobicContact CD1-CD1 4.15Å; L187-Y398 HydrophobicContact CD1-CE1 4.06Å; L395-Y398 PolarHBondContact O-N 3Å; H396-Y398 VanDerWaalsContact C-N 3.33Å; Y398-G400 PolarHBondContact O-N 3.49Å; Y398-E401 WeakPolarHBondContact O-CB 3.24Å; Y398-E401 PolarHBondContact O-N 3.11Å; Y398-M403 HydrophobicContact CD1-SD 4.01Å; Y398-M403 HydrophobicContact CG-SD 4.49Å; Y398-M403 WeakPolarHBondContact O-CB 3.34Å; Y398-F408 HydrophobicContact CD1-CE1 4.3Å; Y398-F408 AromaticContact CD1-CZ 3.73Å; Y398-F408 HydrophobicContact CD1-CZ 3.73Å; Y398-F408 HydrophobicContact CD2-CZ 4.11Å; Y398-F408 HydrophobicContact CE1-CZ 4.49Å; Y398-F408 HydrophobicContact CG-CE1 4.35Å; Y398-F408 HydrophobicContact CG-CE2 4.43Å; Y398-F408 AromaticContact CG-CZ 3.53Å; Y398-F408 HydrophobicContact CG-CZ 3.53Å
399	T	96.8	Very high	96	Very high	56 Å²	56	73.9 Å²	73.9	34%	0.344	37%	0.37	S	S	.	.	H	α-helix	trans	-67.7	-26	178.3	63	0	0	0	0	112.5	L395 H396 E401 G402 M403	L395-T399 PolarHBondContact O-N 3.32Å; L395-T399 PolarHBondContact O-OG1 2.97Å; H396-T399 WeakPolarHBondContact CA-OG1 3.14Å; T399-E401 PolarHBondContact O-N 3.35Å; T399-G402 PolarHBondContact O-N 2.87Å; T399-G402 VanDerWaalsContact O-N 3.12Å; T399-M403 WeakPolarHBondContact CA-O 3.38Å
400	G	96.2	Very high	96.1	Very high	63 Å²	63	77.8 Å²	77.8	65%	0.649	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.9	170.5	0	0	0	0	0	114.1	H396 Y398 G402	H396-G400 PolarHBondContact O-N 3.21Å; H396-G400 VanDerWaalsContact O-N 3.09Å; Y398-G400 PolarHBondContact O-N 3.49Å; G400-G402 VanDerWaalsContact C-N 3.33Å
401	E	96.4	Very high	96.2	Very high	56 Å²	56	68 Å²	68	26%	0.262	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.5	175.5	-57.6	-69.3	151.9	0	0	112.2	A102 K103 T107 W397 Y398 T399	A102-E401 HydrophobicContact CB-CB 3.92Å; A102-E401 HydrophobicContact CB-CG 4.37Å; K103-E401 HydrophobicContact CB-CG 4.06Å; T107-E401 WeakPolarHBondContact CB-OE2 3.18Å; T107-E401 HydrophobicContact CG2-CB 4.17Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.38Å; T107-E401 PolarHBondContact OG1-OE2 3.5Å; W397-E401 WeakPolarHBondContact O-CG 3.45Å; Y398-E401 WeakPolarHBondContact O-CB 3.24Å; Y398-E401 PolarHBondContact O-N 3.11Å; T399-E401 PolarHBondContact O-N 3.35Å
402	G	94.7	Very high	96.3	Very high	62 Å²	62	59.6 Å²	59.6	64%	0.639	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	0	176.4	0	0	0	0	0	115.8	T399 G400	T399-G402 PolarHBondContact O-N 2.87Å; T399-G402 VanDerWaalsContact O-N 3.12Å; G400-G402 VanDerWaalsContact C-N 3.33Å
403	M	97.2	Very high	96.4	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.025	32%	0.316	C	S	.	.			trans	-70.7	139.4	176.6	-175.6	179.6	171.8	0	0	112.1	W101 A102 Y106 L187 Y398 T399 E407 F408	W101-M403 HydrophobicContact CE3-SD 4.17Å; W101-M403 HydrophobicContact CZ3-CE 4.4Å; W101-M403 HydrophobicContact CZ3-SD 4.04Å; A102-M403 HydrophobicContact CB-CB 4.04Å; A102-M403 HydrophobicContact CB-SD 4.03Å; Y106-M403 HydrophobicContact CD2-CB 3.9Å; Y106-M403 HydrophobicContact CD2-CG 4.42Å; Y106-M403 HydrophobicContact CE2-CB 3.7Å; Y106-M403 HydrophobicContact CE2-CG 3.77Å; Y106-M403 HydrophobicContact CE2-SD 4.5Å; L187-M403 HydrophobicContact CD1-CE 3.63Å; L187-M403 HydrophobicContact CD1-SD 4.02Å; L187-M403 HydrophobicContact CD2-CE 3.34Å; L187-M403 HydrophobicContact CG-CE 4.13Å; Y398-M403 HydrophobicContact CD1-SD 4.01Å; Y398-M403 HydrophobicContact CG-SD 4.49Å; Y398-M403 WeakPolarHBondContact O-CB 3.34Å; T399-M403 WeakPolarHBondContact CA-O 3.38Å; M403-E407 HydrophobicContact CE-CB 3.55Å; M403-E407 HydrophobicContact CG-CB 4.43Å; M403-F408 HydrophobicContact CE-CD1 4.41Å; M403-F408 HydrophobicContact CE-CD2 3.58Å; M403-F408 HydrophobicContact CE-CE1 4.28Å; M403-F408 HydrophobicContact CE-CE2 3.44Å; M403-F408 VanDerWaalsContact CE-CE2 3.44Å; M403-F408 HydrophobicContact CE-CG 4.08Å; M403-F408 HydrophobicContact CE-CZ 3.82Å; M403-F408 HydrophobicContact CG-CE2 4.34Å; M403-F408 HydrophobicContact SD-CD2 4.37Å; M403-F408 HydrophobicContact SD-CE2 3.65Å; M403-F408 HydrophobicContact SD-CZ 3.86Å
404	D	96.2	Very high	96.6	Very high	84 Å²	84	55.9 Å²	55.9	45%	0.449	31%	0.309	S	S	.	.			trans	-78.2	144.9	174.8	-160.8	-51.9	0	0	0	111.3	M406 E407	D404-M406 PolarHBondContact O-N 2.89Å; D404-M406 WeakPolarHBondContact OD1-CG 3.43Å; D404-M406 PolarHBondContact OD1-N 3.35Å; D404-E407 HydrophobicContact CB-CG 4.25Å; D404-E407 PolarHBondContact N-OE1 3.49Å; D404-E407 PolarHBondContact O-N 2.97Å
405	E	94.3	Very high	96.7	Very high	77 Å²	77	52.6 Å²	52.6	36%	0.36	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-26.6	174.3	-169.4	173.4	169.8	0	0	111.4	F389 K392 E407 F408	F389-E405 HydrophobicContact CE2-CG 4.34Å; F389-E405 HydrophobicContact CZ-CG 4.16Å; K392-E405 IonicContact NZ-OE1 3.46Å; K392-E405 PolarHBondContact NZ-OE1 3.36Å; K392-E405 IonicContact NZ-OE2 3.5Å; K392-E405 PolarHBondContact NZ-OE2 2.9Å; E405-E407 VanDerWaalsContact C-N 3.31Å; E405-E407 PolarHBondContact O-N 2.91Å; E405-F408 WeakPolarHBondContact O-CB 3.49Å; E405-F408 PolarHBondContact O-N 3.49Å
406	M	96	Very high	96.8	Very high	124 Å²	124	55.4 Å²	55.4	61%	0.611	31%	0.31	S	S	*	.	H	α-helix	trans	-65	-32.3	177.3	-63.1	-168.1	-152.2	0	0	112.8	D404 F408 T409 E410	D404-M406 PolarHBondContact O-N 2.89Å; D404-M406 WeakPolarHBondContact OD1-CG 3.43Å; D404-M406 PolarHBondContact OD1-N 3.35Å; M406-F408 PolarHBondContact O-N 2.94Å; M406-T409 PolarHBondContact O-N 2.99Å; M406-T409 PolarHBondContact O-OG1 3.37Å; M406-E410 WeakPolarHBondContact O-CG 3.43Å; M406-E410 PolarHBondContact O-N 3.07Å
407	E	97.4	Very high	96.9	Very high	44 Å²	44	53.3 Å²	53.3	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-32.9	178.5	-67.2	176.7	-120.1	0	0	112.2	Y106 M403 D404 E405 T409 E410 A411	Y106-E407 PolarHBondContact OH-OE1 2.94Å; Y106-E407 PolarHBondContact OH-OE2 2.98Å; M403-E407 HydrophobicContact CE-CB 3.55Å; M403-E407 HydrophobicContact CG-CB 4.43Å; D404-E407 HydrophobicContact CB-CG 4.25Å; D404-E407 PolarHBondContact N-OE1 3.49Å; D404-E407 PolarHBondContact O-N 2.97Å; E405-E407 VanDerWaalsContact C-N 3.31Å; E405-E407 PolarHBondContact O-N 2.91Å; E407-T409 VanDerWaalsContact C-N 3.33Å; E407-E410 PolarHBondContact O-N 2.93Å; E407-A411 VanDerWaalsContact O-CB 3.3Å; E407-A411 WeakPolarHBondContact O-CB 3.3Å; E407-A411 PolarHBondContact O-N 3.34Å
408	F	97.5	Very high	97	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-44.3	172.6	-75.7	-87.5	0	0	0	111.6	Y183 L187 F385 F389 L395 Y398 M403 E405 M406 A411 E412	Y183-F408 HydrophobicContact CD1-CD1 4.08Å; Y183-F408 AromaticContact CD1-CE1 3.87Å; Y183-F408 HydrophobicContact CD1-CE1 3.87Å; Y183-F408 HydrophobicContact CD2-CE1 4.24Å; Y183-F408 HydrophobicContact CE1-CD1 4.4Å; Y183-F408 HydrophobicContact CE1-CE1 4.33Å; Y183-F408 HydrophobicContact CG-CD1 4.49Å; Y183-F408 AromaticContact CG-CE1 3.84Å; Y183-F408 HydrophobicContact CG-CE1 3.84Å; L187-F408 HydrophobicContact CD1-CE1 4.14Å; L187-F408 HydrophobicContact CD1-CZ 4.49Å; F385-F408 AromaticContact CE2-CD1 3.82Å; F385-F408 HydrophobicContact CE2-CD1 3.82Å; F385-F408 HydrophobicContact CZ-CB 3.99Å; F385-F408 AromaticContact CZ-CD1 3.93Å; F385-F408 HydrophobicContact CZ-CD1 3.93Å; F385-F408 HydrophobicContact CZ-CG 4.48Å; F385-F408 WeakPolarHBondContact CZ-O 3.44Å; F389-F408 HydrophobicContact CD2-CB 4.05Å; F389-F408 HydrophobicContact CD2-CD1 4.29Å; F389-F408 HydrophobicContact CD2-CG 4.28Å; F389-F408 HydrophobicContact CE2-CB 3.43Å; F389-F408 VanDerWaalsContact CE2-CB 3.43Å; F389-F408 HydrophobicContact CE2-CD1 4.27Å; F389-F408 HydrophobicContact CE2-CD2 4.4Å; F389-F408 AromaticContact CE2-CG 3.81Å; F389-F408 HydrophobicContact CE2-CG 3.81Å; F389-F408 HydrophobicContact CZ-CB 3.98Å; L395-F408 HydrophobicContact CD2-CD1 4.3Å; L395-F408 HydrophobicContact CD2-CE1 4.04Å; L395-F408 HydrophobicContact CD2-CE2 4.33Å; L395-F408 HydrophobicContact CD2-CZ 4.04Å; Y398-F408 HydrophobicContact CD1-CE1 4.3Å; Y398-F408 AromaticContact CD1-CZ 3.73Å; Y398-F408 HydrophobicContact CD1-CZ 3.73Å; Y398-F408 HydrophobicContact CD2-CZ 4.11Å; Y398-F408 HydrophobicContact CE1-CZ 4.49Å; Y398-F408 HydrophobicContact CG-CE1 4.35Å; Y398-F408 HydrophobicContact CG-CE2 4.43Å; Y398-F408 AromaticContact CG-CZ 3.53Å; Y398-F408 HydrophobicContact CG-CZ 3.53Å; M403-F408 HydrophobicContact CE-CD1 4.41Å; M403-F408 HydrophobicContact CE-CD2 3.58Å; M403-F408 HydrophobicContact CE-CE1 4.28Å; M403-F408 HydrophobicContact CE-CE2 3.44Å; M403-F408 VanDerWaalsContact CE-CE2 3.44Å; M403-F408 HydrophobicContact CE-CG 4.08Å; M403-F408 HydrophobicContact CE-CZ 3.82Å; M403-F408 HydrophobicContact CG-CE2 4.34Å; M403-F408 HydrophobicContact SD-CD2 4.37Å; M403-F408 HydrophobicContact SD-CE2 3.65Å; M403-F408 HydrophobicContact SD-CZ 3.86Å; E405-F408 WeakPolarHBondContact O-CB 3.49Å; E405-F408 PolarHBondContact O-N 3.49Å; M406-F408 PolarHBondContact O-N 2.94Å; F408-A411 PolarHBondContact O-N 2.94Å; F408-E412 WeakPolarHBondContact O-CB 3.43Å; F408-E412 PolarHBondContact O-N 3.47Å
409	T	96.5	Very high	96.9	Very high	64 Å²	64	48.5 Å²	48.5	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-71.2	-35.5	-178.7	55.9	0	0	0	0	112	F389 M406 E407 S413	F389-T409 HydrophobicContact CE1-CG2 3.81Å; F389-T409 HydrophobicContact CZ-CG2 3.81Å; M406-T409 PolarHBondContact O-N 2.99Å; M406-T409 PolarHBondContact O-OG1 3.37Å; E407-T409 VanDerWaalsContact C-N 3.33Å; T409-S413 WeakPolarHBondContact O-CB 3.45Å; T409-S413 PolarHBondContact O-N 2.88Å
410	E	97.8	Very high	97	Very high	112 Å²	112	49.1 Å²	49.1	52%	0.523	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-43.1	174.1	-70.1	176.2	-178.2	0	0	111.5	M406 E407 S413 N414	M406-E410 WeakPolarHBondContact O-CG 3.43Å; M406-E410 PolarHBondContact O-N 3.07Å; E407-E410 PolarHBondContact O-N 2.93Å; E410-S413 PolarHBondContact O-N 2.77Å; E410-N414 WeakPolarHBondContact O-CB 3.4Å; E410-N414 PolarHBondContact O-N 3.09Å
411	A	97.7	Very high	97	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-42.2	176.2	0	0	0	0	0	112.7	T186 L187 H190 E407 F408 M415	T186-A411 HydrophobicContact CG2-CB 3.98Å; L187-A411 HydrophobicContact CD2-CB 3.77Å; H190-A411 HydrophobicContact CB-CB 3.72Å; E407-A411 VanDerWaalsContact O-CB 3.3Å; E407-A411 WeakPolarHBondContact O-CB 3.3Å; E407-A411 PolarHBondContact O-N 3.34Å; F408-A411 PolarHBondContact O-N 2.94Å; A411-M415 WeakPolarHBondContact O-CB 3.41Å; A411-M415 PolarHBondContact O-N 3.13Å; A411-M415 VanDerWaalsContact O-N 3.09Å
412	E	97.4	Very high	97.1	Very high	34 Å²	34	45.5 Å²	45.5	16%	0.159	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-44	173.7	-173.2	178.5	-142.1	0	0	111.4	F385 T386 F408 M415 N416	F385-E412 HydrophobicContact CD1-CB 4.14Å; F385-E412 HydrophobicContact CD1-CG 3.92Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.49Å; F385-E412 HydrophobicContact CE1-CB 3.59Å; F385-E412 VanDerWaalsContact CE1-CD 3.46Å; F385-E412 HydrophobicContact CE1-CG 3.79Å; F385-E412 HydrophobicContact CZ-CB 4.08Å; T386-E412 WeakPolarHBondContact CB-OE1 3.43Å; T386-E412 PolarHBondContact OG1-OE1 3.31Å; F408-E412 WeakPolarHBondContact O-CB 3.43Å; F408-E412 PolarHBondContact O-N 3.47Å; E412-M415 PolarHBondContact O-N 3.34Å; E412-N416 PolarHBondContact O-N 3.32Å; E412-N416 PolarHBondContact O-ND2 3.49Å
413	S	97.7	Very high	97.2	Very high	60 Å²	60	45.2 Å²	45.2	42%	0.42	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-51.9	176.5	-165.4	0	0	0	0	111.2	T409 E410 M415 N416 D417	T409-S413 WeakPolarHBondContact O-CB 3.45Å; T409-S413 PolarHBondContact O-N 2.88Å; E410-S413 PolarHBondContact O-N 2.77Å; S413-M415 VanDerWaalsContact C-N 3.25Å; S413-M415 PolarHBondContact O-N 3.11Å; S413-N416 WeakPolarHBondContact O-CB 3.46Å; S413-N416 PolarHBondContact O-N 2.83Å; S413-D417 VanDerWaalsContact O-CG 3.24Å; S413-D417 PolarHBondContact O-N 3.15Å; S413-D417 PolarHBondContact OG-OD2 3.48Å
414	N	98	Very high	97.1	Very high	15 Å²	15	49.2 Å²	49.2	8%	0.08	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-37.6	-178.2	-165.2	18.5	0	0	0	111.9	H190 E194 R262 E410 D417 L418	H190-N414 WeakPolarHBondContact ND1-CB 3.45Å; H190-N414 PolarHBondContact ND1-ND2 2.85Å; E194-N414 PolarHBondContact OE1-ND2 3.24Å; R262-N414 PolarHBondContact NH1-OD1 3.01Å; R262-N414 PolarHBondContact NH2-OD1 3.26Å; E410-N414 WeakPolarHBondContact O-CB 3.4Å; E410-N414 PolarHBondContact O-N 3.09Å; N414-D417 PolarHBondContact O-N 2.92Å; N414-L418 WeakPolarHBondContact O-CB 3.36Å; N414-L418 PolarHBondContact O-N 3.43Å
415	M	97.2	Very high	97	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-37.5	175.6	-175.6	171.8	54.4	0	0	112.5	T186 F378 V381 S382 A411 E412 S413 V419	T186-M415 HydrophobicContact CG2-CE 3.65Å; F378-M415 HydrophobicContact CB-CG 4.08Å; F378-M415 HydrophobicContact CB-SD 4.32Å; V381-M415 HydrophobicContact CB-SD 4.39Å; V381-M415 HydrophobicContact CG1-CE 4.46Å; V381-M415 HydrophobicContact CG1-SD 4.22Å; S382-M415 VanDerWaalsContact CA-CE 3.46Å; S382-M415 VanDerWaalsContact CB-CE 3.46Å; A411-M415 WeakPolarHBondContact O-CB 3.41Å; A411-M415 PolarHBondContact O-N 3.13Å; A411-M415 VanDerWaalsContact O-N 3.09Å; E412-M415 PolarHBondContact O-N 3.34Å; S413-M415 VanDerWaalsContact C-N 3.25Å; S413-M415 PolarHBondContact O-N 3.11Å; M415-V419 WeakPolarHBondContact O-CG2 3.39Å; M415-V419 PolarHBondContact O-N 3.05Å
416	N	97.4	Very high	97	Very high	69 Å²	69	44.9 Å²	44.9	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-68.3	-37.9	174.5	-72.9	-43.4	0	0	0	112.2	S382 E412 S413 V419 S420	S382-N416 PolarHBondContact OG-OD1 2.76Å; E412-N416 PolarHBondContact O-N 3.32Å; E412-N416 PolarHBondContact O-ND2 3.49Å; S413-N416 WeakPolarHBondContact O-CB 3.46Å; S413-N416 PolarHBondContact O-N 2.83Å; N416-V419 PolarHBondContact O-N 3.24Å; N416-S420 WeakPolarHBondContact O-CB 3.45Å; N416-S420 PolarHBondContact O-N 3.28Å; N416-S420 PolarHBondContact O-OG 3.15Å
417	D	97.9	Very high	96.8	Very high	77 Å²	77	43.7 Å²	43.7	41%	0.412	23%	0.231	S	C	.	.	H	α-helix	trans	-64.2	-46.8	175.3	-63.7	-28.9	0	0	0	109.9	S413 N414 V419 S420 E421	S413-D417 VanDerWaalsContact O-CG 3.24Å; S413-D417 PolarHBondContact O-N 3.15Å; S413-D417 PolarHBondContact OG-OD2 3.48Å; N414-D417 PolarHBondContact O-N 2.92Å; D417-V419 VanDerWaalsContact C-N 3.31Å; D417-V419 PolarHBondContact O-N 3.49Å; D417-S420 CarbonylContact O-C 3.55Å; D417-S420 WeakPolarHBondContact O-CA 3.44Å; D417-S420 WeakPolarHBondContact O-CB 3.49Å; D417-S420 PolarHBondContact O-N 3.34Å; D417-E421 WeakPolarHBondContact O-CG 3.39Å; D417-E421 PolarHBondContact O-N 3.37Å
418	L	97.8	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.3	-44.7	173.3	-180	68.8	0	0	0	112.4	V189 V193 R262 L263 F265 F378 N414 S420 E421 Y422	V189-L418 HydrophobicContact CG1-CD2 4.33Å; V193-L418 HydrophobicContact CG2-CD1 4.47Å; V193-L418 HydrophobicContact CG2-CD2 3.78Å; R262-L418 HydrophobicContact CB-CD1 4.3Å; R262-L418 WeakPolarHBondContact O-CD1 3.34Å; L263-L418 HydrophobicContact CD2-CD1 3.96Å; F265-L418 HydrophobicContact CD2-CD2 4.36Å; F265-L418 HydrophobicContact CE2-CD1 4.42Å; F265-L418 HydrophobicContact CE2-CD2 3.85Å; F265-L418 HydrophobicContact CZ-CD2 4.37Å; F378-L418 HydrophobicContact CD2-CD2 3.88Å; F378-L418 HydrophobicContact CD2-CG 4.48Å; F378-L418 HydrophobicContact CE1-CD2 4.49Å; F378-L418 HydrophobicContact CE2-CD2 3.66Å; F378-L418 HydrophobicContact CE2-CG 4.42Å; F378-L418 HydrophobicContact CG-CD2 4.41Å; F378-L418 HydrophobicContact CZ-CD2 4Å; N414-L418 WeakPolarHBondContact O-CB 3.36Å; N414-L418 PolarHBondContact O-N 3.43Å; L418-S420 VanDerWaalsContact C-N 3.3Å; L418-S420 PolarHBondContact O-N 3.14Å; L418-E421 PolarHBondContact O-N 3.44Å; L418-Y422 HydrophobicContact CD1-CD2 4.19Å; L418-Y422 HydrophobicContact CD1-CE2 3.76Å; L418-Y422 HydrophobicContact CD2-CE2 4.36Å; L418-Y422 HydrophobicContact CG-CD2 4.07Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å; L418-Y422 VanDerWaalsContact O-CD2 3.25Å; L418-Y422 WeakPolarHBondContact O-CD2 3.14Å; L418-Y422 PolarHBondContact O-N 2.93Å
419	V	97.7	Very high	95.4	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.085	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-40.2	175.9	165	0	0	0	0	111.3	Q375 F378 K379 M415 N416 D417 Y422 Q423	Q375-V419 HydrophobicContact CB-CG1 4.41Å; Q375-V419 HydrophobicContact CB-CG2 4.43Å; F378-V419 HydrophobicContact CB-CG2 3.62Å; K379-V419 HydrophobicContact CD-CG1 4.21Å; K379-V419 HydrophobicContact CG-CG1 3.89Å; K379-V419 HydrophobicContact CG-CG2 4.22Å; M415-V419 WeakPolarHBondContact O-CG2 3.39Å; M415-V419 PolarHBondContact O-N 3.05Å; N416-V419 PolarHBondContact O-N 3.24Å; D417-V419 VanDerWaalsContact C-N 3.31Å; D417-V419 PolarHBondContact O-N 3.49Å; V419-Y422 PolarHBondContact O-N 2.89Å; V419-Q423 WeakPolarHBondContact O-CB 3.26Å; V419-Q423 PolarHBondContact O-N 3.18Å
420	S	97.5	Very high	94.3	Very high	70 Å²	70	45 Å²	45	49%	0.49	25%	0.25	S	C	.	.	H	α-helix	trans	-67.6	-39.8	179	-57	0	0	0	0	111.6	N416 D417 L418 Q423 Q424	N416-S420 WeakPolarHBondContact O-CB 3.45Å; N416-S420 PolarHBondContact O-N 3.28Å; N416-S420 PolarHBondContact O-OG 3.15Å; D417-S420 CarbonylContact O-C 3.55Å; D417-S420 WeakPolarHBondContact O-CA 3.44Å; D417-S420 WeakPolarHBondContact O-CB 3.49Å; D417-S420 PolarHBondContact O-N 3.34Å; L418-S420 VanDerWaalsContact C-N 3.3Å; L418-S420 PolarHBondContact O-N 3.14Å; S420-Q423 WeakPolarHBondContact O-CB 3.31Å; S420-Q423 PolarHBondContact O-N 2.93Å; S420-Q424 PolarHBondContact O-N 2.76Å
421	E	97	Very high	92.8	Very high	43 Å²	43	48.6 Å²	48.6	20%	0.201	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-51	172.9	-71.3	168.6	-124.3	0	0	111	R262 L263 D417 L418 Q423 Q424 Y425	R262-E421 WeakPolarHBondContact CB-OE2 3.44Å; R262-E421 WeakPolarHBondContact CD-OE2 3.29Å; R262-E421 IonicContact CZ-OE1 3.56Å; R262-E421 VanDerWaalsContact NE-CD 3.32Å; R262-E421 IonicContact NE-OE1 3.34Å; R262-E421 PolarHBondContact NE-OE1 3.03Å; R262-E421 IonicContact NE-OE2 3.19Å; R262-E421 PolarHBondContact NE-OE2 3.09Å; R262-E421 VanDerWaalsContact NE-OE2 3.13Å; R262-E421 IonicContact NH2-OE1 2.93Å; R262-E421 PolarHBondContact NH2-OE1 2.92Å; L263-E421 HydrophobicContact CD2-CB 4.23Å; D417-E421 WeakPolarHBondContact O-CG 3.39Å; D417-E421 PolarHBondContact O-N 3.37Å; L418-E421 PolarHBondContact O-N 3.44Å; E421-Q423 PolarHBondContact O-N 2.73Å; E421-Q424 WeakPolarHBondContact O-CB 3.23Å; E421-Q424 PolarHBondContact O-N 3.46Å; E421-Q424 VanDerWaalsContact O-N 3.12Å; E421-Y425 WeakPolarHBondContact O-CD2 3.35Å; E421-Y425 PolarHBondContact O-N 3.01Å
422	Y	97.6	Very high	90.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-38.3	175.5	-84.5	-65.2	0	0	0	112.6	L263 T372 I374 F378 L418 V419 Q426	L263-Y422 WeakPolarHBondContact CA-OH 3.49Å; L263-Y422 HydrophobicContact CB-CE1 3.79Å; L263-Y422 HydrophobicContact CD1-CD1 3.79Å; L263-Y422 HydrophobicContact CD1-CE1 3.84Å; L263-Y422 HydrophobicContact CD1-CG 4.48Å; L263-Y422 HydrophobicContact CD2-CD1 3.88Å; L263-Y422 HydrophobicContact CD2-CD2 3.88Å; L263-Y422 HydrophobicContact CD2-CE1 3.73Å; L263-Y422 HydrophobicContact CD2-CE2 3.68Å; L263-Y422 HydrophobicContact CD2-CG 3.96Å; L263-Y422 HydrophobicContact CG-CD1 4.28Å; L263-Y422 HydrophobicContact CG-CE1 3.97Å; T372-Y422 HydrophobicContact CG2-CD1 4.27Å; T372-Y422 WeakPolarHBondContact CG2-O 3.36Å; I374-Y422 HydrophobicContact CG2-CD1 4.15Å; I374-Y422 HydrophobicContact CG2-CD2 4.14Å; I374-Y422 HydrophobicContact CG2-CE1 3.62Å; I374-Y422 HydrophobicContact CG2-CE2 3.65Å; I374-Y422 HydrophobicContact CG2-CG 4.38Å; F378-Y422 HydrophobicContact CD2-CE2 4.39Å; F378-Y422 HydrophobicContact CE2-CD2 4.43Å; F378-Y422 AromaticContact CE2-CE2 3.82Å; F378-Y422 HydrophobicContact CE2-CE2 3.82Å; L418-Y422 HydrophobicContact CD1-CD2 4.19Å; L418-Y422 HydrophobicContact CD1-CE2 3.76Å; L418-Y422 HydrophobicContact CD2-CE2 4.36Å; L418-Y422 HydrophobicContact CG-CD2 4.07Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å; L418-Y422 VanDerWaalsContact O-CD2 3.25Å; L418-Y422 WeakPolarHBondContact O-CD2 3.14Å; L418-Y422 PolarHBondContact O-N 2.93Å; V419-Y422 PolarHBondContact O-N 2.89Å; Y422-Q426 WeakPolarHBondContact O-CB 3.46Å; Y422-Q426 PolarHBondContact O-N 3.48Å
423	Q	96.6	Very high	88.7	Confident	56 Å²	56	54.1 Å²	54.1	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-67.7	-42.1	177.6	-174.5	61	59.2	0	0	111.5	Q375 V419 S420 E421 Q426 D427	Q375-Q423 VanDerWaalsContact OE1-OE1 3.13Å; V419-Q423 WeakPolarHBondContact O-CB 3.26Å; V419-Q423 PolarHBondContact O-N 3.18Å; S420-Q423 WeakPolarHBondContact O-CB 3.31Å; S420-Q423 PolarHBondContact O-N 2.93Å; E421-Q423 PolarHBondContact O-N 2.73Å; Q423-Q426 WeakPolarHBondContact O-CB 3.47Å; Q423-Q426 PolarHBondContact O-N 3.3Å; Q423-D427 VanDerWaalsContact NE2-CG 3.33Å; Q423-D427 PolarHBondContact NE2-OD1 3.25Å; Q423-D427 PolarHBondContact NE2-OD2 2.97Å; Q423-D427 PolarHBondContact O-N 2.8Å
424	Q	95.9	Very high	86.6	Confident	89 Å²	89	54 Å²	54	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-58	-51.6	175.4	-180	179.9	-5.6	0	0	111.2	S420 E421 Q426 D427 A428	S420-Q424 PolarHBondContact O-N 2.76Å; E421-Q424 WeakPolarHBondContact O-CB 3.23Å; E421-Q424 PolarHBondContact O-N 3.46Å; E421-Q424 VanDerWaalsContact O-N 3.12Å; Q424-Q426 VanDerWaalsContact C-N 3.26Å; Q424-Q426 PolarHBondContact O-N 3.01Å; Q424-D427 PolarHBondContact O-N 2.66Å; Q424-A428 PolarHBondContact O-N 2.9Å
425	Y	94.2	Very high	84.3	Confident	32 Å²	32	59 Å²	59	13%	0.125	33%	0.327	C	S	.	.	H	α-helix	trans	-70.2	-21.2	179.3	-67.8	-69	0	0	0	113.7	F260 L263 W344 E421	F260-Y425 HydrophobicContact CD1-CE1 4.01Å; F260-Y425 HydrophobicContact CD1-CE2 4.37Å; F260-Y425 AromaticContact CD1-CZ 3.66Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.41Å; F260-Y425 HydrophobicContact CD2-CD1 4.21Å; F260-Y425 HydrophobicContact CD2-CD2 4.31Å; F260-Y425 HydrophobicContact CD2-CE1 4Å; F260-Y425 HydrophobicContact CD2-CE2 4.09Å; F260-Y425 HydrophobicContact CD2-CG 4.36Å; F260-Y425 AromaticContact CD2-CZ 3.93Å; F260-Y425 HydrophobicContact CE1-CD1 4.38Å; F260-Y425 AromaticContact CE1-CE1 3.46Å; F260-Y425 HydrophobicContact CE1-CE1 3.46Å; F260-Y425 VanDerWaalsContact CE1-CE1 3.46Å; F260-Y425 AromaticContact CE1-CZ 3.6Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.35Å; F260-Y425 AromaticContact CE2-CD1 3.59Å; F260-Y425 HydrophobicContact CE2-CD1 3.59Å; F260-Y425 HydrophobicContact CE2-CD2 4.47Å; F260-Y425 AromaticContact CE2-CE1 3.49Å; F260-Y425 HydrophobicContact CE2-CE1 3.49Å; F260-Y425 VanDerWaalsContact CE2-CE1 3.49Å; F260-Y425 HydrophobicContact CE2-CE2 4.38Å; F260-Y425 HydrophobicContact CE2-CG 4.1Å; F260-Y425 AromaticContact CE2-CZ 3.91Å; F260-Y425 HydrophobicContact CG-CE1 4.25Å; F260-Y425 HydrophobicContact CG-CE2 4.1Å; F260-Y425 AromaticContact CG-CZ 3.82Å; F260-Y425 AromaticContact CZ-CD1 3.68Å; F260-Y425 HydrophobicContact CZ-CD1 3.68Å; F260-Y425 AromaticContact CZ-CE1 3.18Å; F260-Y425 HydrophobicContact CZ-CE1 3.18Å; F260-Y425 AromaticContact CZ-CZ 3.74Å; L263-Y425 HydrophobicContact CD1-CD2 3.58Å; L263-Y425 HydrophobicContact CD1-CE2 4.11Å; L263-Y425 HydrophobicContact CD1-CG 4.3Å; W344-Y425 AromaticContact CH2-CD1 3.98Å; W344-Y425 HydrophobicContact CH2-CD1 3.98Å; W344-Y425 HydrophobicContact CZ2-CD1 4.31Å; W344-Y425 WeakPolarHBondContact CZ2-O 3.49Å; E421-Y425 WeakPolarHBondContact O-CD2 3.35Å; E421-Y425 PolarHBondContact O-N 3.01Å
426	Q	93.9	Very high	82.2	Confident	37 Å²	37	61.1 Å²	61.1	17%	0.173	34%	0.336	C	S	.	.	H	α-helix	trans	-68.9	-38.1	172.3	-175.8	178.3	-71.2	0	0	112.2	H307 G308 R309 T372 Q375 Y422 Q423 Q424	H307-Q426 PolarHBondContact O-OE1 3Å; G308-Q426 VanDerWaalsContact CA-OE1 3.28Å; R309-Q426 HydrophobicContact CG-CG 4.2Å; T372-Q426 HydrophobicContact CG2-CB 3.92Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.47Å; T372-Q426 PolarHBondContact OG1-OE1 3.24Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.08Å; Y422-Q426 WeakPolarHBondContact O-CB 3.46Å; Y422-Q426 PolarHBondContact O-N 3.48Å; Q423-Q426 WeakPolarHBondContact O-CB 3.47Å; Q423-Q426 PolarHBondContact O-N 3.3Å; Q424-Q426 VanDerWaalsContact C-N 3.26Å; Q424-Q426 PolarHBondContact O-N 3.01Å
427	D	91.8	Very high	79.9	Confident	99 Å²	99	64.7 Å²	64.7	53%	0.529	35%	0.351	S	S	.	.	H	α-helix	trans	-90	-17.1	-176.3	-61.4	-28.5	0	0	0	112.1	Q423 Q424	Q423-D427 VanDerWaalsContact NE2-CG 3.33Å; Q423-D427 PolarHBondContact NE2-OD1 3.25Å; Q423-D427 PolarHBondContact NE2-OD2 2.97Å; Q423-D427 PolarHBondContact O-N 2.8Å; Q424-D427 PolarHBondContact O-N 2.66Å
428	A	87.3	Confident	77.5	Confident	15 Å²	15	67.7 Å²	67.7	12%	0.124	36%	0.362	C	S	.	.			trans	-55.9	138.2	177.3	0	0	0	0	0	112.4	W344 Q424	W344-A428 PolarHBondContact NE1-O 2.86Å; Q424-A428 PolarHBondContact O-N 2.9Å
429	T	79	Confident	75.2	Confident	62 Å²	62	74.2 Å²	74.2	38%	0.38	39%	0.393	S	S	.	.			trans	-117.9	157.7	177	64.2	0	0	0	0	111.2	E431 E432	T429-E431 PolarHBondContact O-N 3.34Å; T429-E432 PolarHBondContact N-OE2 3.32Å; T429-E432 PolarHBondContact O-N 3.43Å
430	A	72.8	Confident	72.9	Confident	58 Å²	58	78 Å²	78	48%	0.479	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.3	178.7	0	0	0	0	0	114.8	W344	W344-A430 HydrophobicContact CB-CB 4.27Å
431	E	66.7	Low	70.4	Confident	189 Å²	189	82.9 Å²	82.9	88%	0.883	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-19.7	176.1	-65.4	-176.6	179.7	0	0	112.9	T429	T429-E431 PolarHBondContact O-N 3.34Å
432	E	58.3	Low	67.6	Low	91 Å²	91	88.1 Å²	88.1	43%	0.425	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-14	-175.7	-65.6	169.9	158.5	0	0	113	T429 G434 D435 F436	T429-E432 PolarHBondContact N-OE2 3.32Å; T429-E432 PolarHBondContact O-N 3.43Å; E432-G434 VanDerWaalsContact C-N 3.32Å; E432-G434 PolarHBondContact O-N 2.9Å; E432-D435 PolarHBondContact O-N 2.73Å; E432-F436 HydrophobicContact CB-CD2 4.44Å; E432-F436 HydrophobicContact CB-CE2 3.61Å; E432-F436 HydrophobicContact CB-CZ 4.28Å; E432-F436 VanDerWaalsContact O-CD2 3.23Å; E432-F436 WeakPolarHBondContact O-CD2 3.45Å; E432-F436 WeakPolarHBondContact O-CE2 3.47Å
433	E	50.6	Low	64.9	Low	60 Å²	60	94.8 Å²	94.8	28%	0.28	51%	0.512	S	S	.	.	H	α-helix	trans	-64.9	-26.7	-177.1	-117	-170.8	177.1	0	0	115.5	D435 F436 E437	E433-D435 PolarHBondContact O-N 3.46Å; E433-D435 VanDerWaalsContact O-N 3.1Å; E433-F436 HydrophobicContact CG-CD2 4.45Å; E433-F436 PolarHBondContact O-N 2.55Å; E433-E437 PolarHBondContact O-N 3.16Å
434	G	53.1	Low	63.3	Low	57 Å²	57	96.8 Å²	96.8	59%	0.588	52%	0.524	S	S	*	.	H	α-helix	trans	-57.9	-25.3	175.9	0	0	0	0	0	113.3	E432	E432-G434 VanDerWaalsContact C-N 3.32Å; E432-G434 PolarHBondContact O-N 2.9Å
435	D	50.6	Low	61.6	Low	121 Å²	121	97.2 Å²	97.2	65%	0.647	53%	0.53	S	S	*	.	H	α-helix	trans	-91.6	-19.9	177.9	-64.7	-23.9	0	0	0	112.4	E432 E433	E432-D435 PolarHBondContact O-N 2.73Å; E433-D435 PolarHBondContact O-N 3.46Å; E433-D435 VanDerWaalsContact O-N 3.1Å
436	F	52.7	Low	59.8	Low	45 Å²	45	100.8 Å²	100.8	20%	0.197	55%	0.553	C	S	.	*	H	α-helix	trans	-87.9	-28.7	-175.5	-63.7	-54.8	0	0	0	114	E432 E433 E438 E439	E432-F436 HydrophobicContact CB-CD2 4.44Å; E432-F436 HydrophobicContact CB-CE2 3.61Å; E432-F436 HydrophobicContact CB-CZ 4.28Å; E432-F436 VanDerWaalsContact O-CD2 3.23Å; E432-F436 WeakPolarHBondContact O-CD2 3.45Å; E432-F436 WeakPolarHBondContact O-CE2 3.47Å; E433-F436 HydrophobicContact CG-CD2 4.45Å; E433-F436 PolarHBondContact O-N 2.55Å; F436-E438 PolarHBondContact O-N 3.09Å; F436-E439 PolarHBondContact O-N 3.12Å
437	E	48.7	Very low	57.8	Low	143 Å²	143	104.5 Å²	104.5	67%	0.668	58%	0.575	S	S	*	*	H	α-helix	trans	-63.9	-31.8	171.7	-74	-171.6	163.5	0	0	111.4	E433 L440 E441	E433-E437 PolarHBondContact O-N 3.16Å; E437-L440 PolarHBondContact O-N 3.35Å; E437-E441 PolarHBondContact O-N 3.31Å
438	E	47.7	Very low	55.6	Low	140 Å²	140	104.9 Å²	104.9	65%	0.654	58%	0.578	S	S	*	*	H	α-helix	trans	-68.8	-36.3	177	-70.1	-168.1	169.3	0	0	112.6	F436 L440	F436-E438 PolarHBondContact O-N 3.09Å; E438-L440 VanDerWaalsContact C-N 3.31Å; E438-L440 PolarHBondContact O-N 2.99Å
439	E	49.2	Very low	53.5	Low	137 Å²	137	110.9 Å²	110.9	64%	0.64	61%	0.608	S	S	*	*	H	α-helix	trans	-70.1	-25.4	177.8	-75.8	-171.1	163.4	0	0	113.4	F436	F436-E439 PolarHBondContact O-N 3.12Å
440	L	49.7	Very low	51.7	Low	95 Å²	95	114.4 Å²	114.4	50%	0.497	62%	0.624	S	S	.	*	H	α-helix	trans	-87.3	-24.4	179.8	-72.6	171	0	0	0	113.8	F260 E437 E438	F260-L440 HydrophobicContact CD1-CD1 4.29Å; F260-L440 HydrophobicContact CE1-CD1 4.03Å; E437-L440 PolarHBondContact O-N 3.35Å; E438-L440 VanDerWaalsContact C-N 3.31Å; E438-L440 PolarHBondContact O-N 2.99Å
441	E	45	Very low	50.1	Low	171 Å²	171	118.7 Å²	118.7	80%	0.799	64%	0.635	S	S	*	*	H	α-helix	trans	-72	-21.3	172.3	-73.5	-165.8	164.8	0	0	112.4	E437	E437-E441 PolarHBondContact O-N 3.31Å
442	D	39.3	Very low	48.7	Very low	154 Å²	154	112.8 Å²	112.8	82%	0.824	62%	0.615	S	S	*	*			trans	-96.9	-2.9	-176	-82.3	-15.1	0	0	0	114.9
443	A	39.8	Very low	47.9	Very low	140 Å²	140	114.8 Å²	114.8	100%	1.157	63%	0.632	S	S	*	*			trans	-107.6	0	178.4	0	0	0	0	0	112.5

Retrieved 443 of 443 residues in 587.8 ms (Link to these results)

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