A0A087XF72_POEFO 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 A0A087XF72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 aa.

Structure Viewer

Loading PAE data...

(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	56.2	Low	89.8	Confident	144 Å²	144	35.3 Å²	35.3	71%	0.709	16%	0.159	S	C	*	.				0	161.5	0	-74.7	179.9	-85.3	0	0	107.8	E3 N48 D128 C129	M1-E3 VanDerWaalsContact CB-OE1 3.31Å; M1-E3 WeakPolarHBondContact CB-OE1 3.41Å; M1-N48 WeakPolarHBondContact CB-ND2 3.5Å; M1-N48 WeakPolarHBondContact CG-ND2 3.46Å; M1-N48 PolarHBondContact SD-ND2 3.45Å; M1-N48 VanDerWaalsContact SD-ND2 3.4Å; M1-D128 WeakPolarHBondContact CE-OD2 3.46Å; M1-C129 WeakPolarHBondContact O-CB 3.38Å
2	R	80.6	Confident	90	Very high	122 Å²	122	34.8 Å²	34.8	46%	0.46	16%	0.162	S	C	.	.			trans	-149.7	86.4	-162.3	-76	-170.4	174.7	178.3	-16	110	C129 Q131 D249	R2-C129 WeakPolarHBondContact CA-O 3.34Å; R2-Q131 HydrophobicContact CB-CG 3.54Å; R2-Q131 VanDerWaalsContact CB-NE2 3.25Å; R2-Q131 HydrophobicContact CG-CG 4.18Å; R2-Q131 PolarHBondContact O-NE2 3.37Å; R2-D249 IonicContact CZ-OD2 3.07Å; R2-D249 VanDerWaalsContact NH1-CG 3.28Å; R2-D249 IonicContact NH1-OD2 2.65Å; R2-D249 PolarHBondContact NH1-OD2 2.88Å; R2-D249 IonicContact NH2-OD2 2.95Å; R2-D249 PolarHBondContact NH2-OD2 2.99Å
3	E	91.6	Very high	90.2	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.033	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	154.5	-170.8	-58.3	72.6	-150.8	0	0	112.8	M1 C127 D128 C129 Q131	M1-E3 VanDerWaalsContact CB-OE1 3.31Å; M1-E3 WeakPolarHBondContact CB-OE1 3.41Å; E3-C127 HydrophobicContact CB-CB 3.93Å; E3-C127 HydrophobicContact CG-CB 4.04Å; E3-D128 PolarHBondContact OE2-N 3.23Å; E3-C129 PolarHBondContact N-O 3.05Å; E3-C129 WeakPolarHBondContact OE2-CA 3.44Å; E3-C129 PolarHBondContact OE2-N 3.46Å; E3-Q131 WeakPolarHBondContact O-CB 3.31Å; E3-Q131 PolarHBondContact O-N 3.34Å
4	I	94.1	Very high	90.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.5	175.5	-63.1	169.3	0	0	0	108.8	V49 Y50 R62 Q131 Q134 L240 L250	I4-V49 HydrophobicContact CB-CG1 4.49Å; I4-V49 HydrophobicContact CD1-CG1 3.75Å; I4-V49 HydrophobicContact CG1-CG1 4.04Å; I4-V49 PolarHBondContact N-O 3.1Å; I4-Y50 HydrophobicContact CB-CE1 4.39Å; I4-Y50 HydrophobicContact CD1-CE2 4.19Å; I4-Y50 HydrophobicContact CG2-CE1 4.19Å; I4-R62 WeakPolarHBondContact O-CD 3.41Å; I4-Q131 HydrophobicContact CG1-CB 4.19Å; I4-Q134 HydrophobicContact CG2-CB 3.9Å; I4-L240 HydrophobicContact CD1-CB 4.44Å; I4-L240 HydrophobicContact CD1-CD1 3.66Å; I4-L240 HydrophobicContact CD1-CG 4.46Å; I4-L250 HydrophobicContact CD1-CD1 3.76Å; I4-L250 HydrophobicContact CD1-CD2 4.48Å; I4-L250 HydrophobicContact CD1-CG 4.11Å; I4-L250 HydrophobicContact CG1-CD1 3.96Å
5	V	95.6	Very high	90.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.4	172.6	175.7	0	0	0	0	108.7	R62 L64 E123 L130 G132 F133 Q134	V5-R62 HydrophobicContact CG2-CG 4.04Å; V5-L64 HydrophobicContact CG1-CD1 3.74Å; V5-E123 HydrophobicContact CG2-CB 4.24Å; V5-L130 HydrophobicContact CB-CD1 4.44Å; V5-L130 HydrophobicContact CG2-CD1 3.71Å; V5-G132 PolarHBondContact N-O 3.2Å; V5-F133 HydrophobicContact CB-CD1 3.7Å; V5-F133 HydrophobicContact CB-CE1 3.9Å; V5-F133 HydrophobicContact CG1-CD1 3.99Å; V5-F133 HydrophobicContact CG1-CE1 4.18Å; V5-F133 HydrophobicContact CG2-CD1 4.48Å; V5-F133 HydrophobicContact CG2-CE1 4.21Å; V5-F133 WeakPolarHBondContact O-CA 2.84Å; V5-Q134 PolarHBondContact O-N 3.4Å
6	H	96.8	Very high	90.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.9	-179.2	-173.2	84.8	0	0	0	111.4	Q8 F20 W21 R62 A63 L64 Q134 V136	H6-Q8 PolarHBondContact CD2-NE2 2.75Å; H6-Q8 VanDerWaalsContact NE2-CG 3.32Å; H6-Q8 WeakPolarHBondContact NE2-CG 3.39Å; H6-Q8 PolarHBondContact NE2-NE2 3.46Å; H6-F20 AromaticContact CE1-CD1 3.84Å; H6-F20 AromaticContact CE1-CE1 4Å; H6-W21 HydrophobicContact CB-CZ2 3.77Å; H6-W21 AromaticContact CD2-NE1 3.36Å; H6-W21 PolarHBondContact CD2-NE1 3.16Å; H6-W21 AromaticContact CG-CZ2 3.99Å; H6-W21 AromaticContact NE2-NE1 3.74Å; H6-R62 PolarHBondContact N-O 2.84Å; H6-A63 HydrophobicContact CB-CB 4.44Å; H6-A63 CarbonylContact O-C 3.51Å; H6-A63 VanDerWaalsContact O-CA 3.28Å; H6-A63 WeakPolarHBondContact O-CA 3.24Å; H6-L64 PolarHBondContact O-N 3.25Å; H6-Q134 CarbonylContact C-O 3.49Å; H6-Q134 WeakPolarHBondContact CA-O 3.31Å; H6-Q134 PolarHBondContact ND1-OE1 3.41Å; H6-V136 WeakPolarHBondContact CE1-CG2 3.2Å
7	L	96.8	Very high	91	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.9	-176.9	-66.2	158.3	0	0	0	109.2	L64 V120 F133 Q134 L135 V136 L151 I155	L7-L64 HydrophobicContact CD2-CB 3.77Å; L7-L64 HydrophobicContact CD2-CD1 4.19Å; L7-L64 HydrophobicContact CD2-CD2 4.11Å; L7-L64 HydrophobicContact CD2-CG 4.26Å; L7-V120 HydrophobicContact CD2-CG2 3.74Å; L7-F133 HydrophobicContact CD1-CB 4.26Å; L7-F133 HydrophobicContact CD1-CD1 4.15Å; L7-Q134 PolarHBondContact N-O 2.96Å; L7-L135 HydrophobicContact CB-CB 4.36Å; L7-L135 HydrophobicContact CB-CD1 4.42Å; L7-L135 HydrophobicContact CB-CG 4.28Å; L7-L135 HydrophobicContact CD1-CD1 4.49Å; L7-L135 CarbonylContact O-C 3.53Å; L7-L135 WeakPolarHBondContact O-CA 3.43Å; L7-V136 PolarHBondContact O-N 2.87Å; L7-L151 HydrophobicContact CD1-CD2 4.04Å; L7-L151 HydrophobicContact CD2-CD2 4.08Å; L7-L151 HydrophobicContact CG-CD2 4.49Å; L7-I155 HydrophobicContact CD1-CD1 3.45Å; L7-I155 VanDerWaalsContact CD1-CD1 3.45Å
8	Q	95.6	Very high	91.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.7	177.4	-64.5	170.8	27.6	0	0	109.2	H6 G17 L64 V66	H6-Q8 PolarHBondContact CD2-NE2 2.75Å; H6-Q8 VanDerWaalsContact NE2-CG 3.32Å; H6-Q8 WeakPolarHBondContact NE2-CG 3.39Å; H6-Q8 PolarHBondContact NE2-NE2 3.46Å; Q8-G17 VanDerWaalsContact NE2-CA 3.34Å; Q8-L64 PolarHBondContact N-O 2.7Å; Q8-V66 PolarHBondContact O-N 3.39Å
9	I	95.2	Very high	91.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126	-169.3	-50	179.3	0	0	0	110.7	V66 L135 V136 H137 T143 L151	I9-V66 WeakPolarHBondContact CA-O 3.39Å; I9-V66 HydrophobicContact CG1-CB 4.47Å; I9-L135 HydrophobicContact CD1-CD1 3.44Å; I9-L135 VanDerWaalsContact CD1-CD1 3.44Å; I9-L135 HydrophobicContact CD1-CD2 4.29Å; I9-L135 HydrophobicContact CD1-CG 3.85Å; I9-L135 HydrophobicContact CG1-CD1 4.49Å; I9-L135 HydrophobicContact CG1-CG 4.45Å; I9-V136 PolarHBondContact N-O 2.82Å; I9-H137 HydrophobicContact CB-CB 4.41Å; I9-T143 HydrophobicContact CG2-CG2 4.23Å; I9-L151 HydrophobicContact CD1-CB 4.35Å; I9-L151 HydrophobicContact CD1-CD2 3.55Å
10	G	93.8	Very high	91.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	71.6	177.2	-179.6	0	0	0	0	0	113.6	C12 G13 N14 V66	G10-C12 PolarHBondContact O-N 3.29Å; G10-G13 PolarHBondContact O-N 2.95Å; G10-N14 WeakPolarHBondContact O-CB 3.4Å; G10-N14 PolarHBondContact O-N 3.35Å; G10-N14 PolarHBondContact O-ND2 3.43Å; G10-V66 PolarHBondContact N-O 3.16Å
11	Q	91.8	Very high	91.4	Very high	113 Å²	113	27.4 Å²	27.4	53%	0.528	13%	0.128	S	C	.	.	H	α-helix	trans	-55.4	-49	-174.3	-173.1	-175.3	4.6	0	0	113.6	Q15 D67	Q11-Q15 VanDerWaalsContact O-CG 3.32Å; Q11-Q15 WeakPolarHBondContact O-CG 3.47Å; Q11-Q15 PolarHBondContact O-N 3.43Å; Q11-Q15 VanDerWaalsContact O-N 3.13Å; Q11-D67 PolarHBondContact N-OD2 2.98Å
12	C	91.7	Very high	93.1	Very high	29 Å²	29	22.9 Å²	22.9	20%	0.196	11%	0.105	C	C	.	.	H	α-helix	trans	-65.6	-46	-179.1	-179	0	0	0	0	111.7	G10 N14 Q15 I16	G10-C12 PolarHBondContact O-N 3.29Å; C12-N14 PolarHBondContact O-N 2.89Å; C12-Q15 PolarHBondContact O-N 3.45Å; C12-I16 WeakPolarHBondContact O-CG1 3.26Å; C12-I16 PolarHBondContact O-N 3.31Å; C12-I16 VanDerWaalsContact SG-CD1 3.55Å
13	G	93.2	Very high	93.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.9	-45.4	179	0	0	0	0	0	112.6	G10 G17 V136	G10-G13 PolarHBondContact O-N 2.95Å; G13-G17 WeakPolarHBondContact O-CA 3.46Å; G13-G17 PolarHBondContact O-N 3.18Å; G13-V136 VanDerWaalsContact CA-O 3.29Å; G13-V136 WeakPolarHBondContact CA-O 3.41Å
14	N	93.9	Very high	93.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.7	-37	178.5	-75.5	-70.1	0	0	0	113.2	G10 C12 S18 L65 V66 T72 M73 V76	G10-N14 WeakPolarHBondContact O-CB 3.4Å; G10-N14 PolarHBondContact O-N 3.35Å; G10-N14 PolarHBondContact O-ND2 3.43Å; C12-N14 PolarHBondContact O-N 2.89Å; N14-S18 VanDerWaalsContact O-CB 3.22Å; N14-S18 WeakPolarHBondContact O-CB 3.33Å; N14-S18 PolarHBondContact O-N 2.79Å; N14-S18 PolarHBondContact O-OG 3.44Å; N14-L65 WeakPolarHBondContact OD1-CB 3.23Å; N14-V66 PolarHBondContact ND2-O 3.22Å; N14-T72 HydrophobicContact CB-CG2 3.61Å; N14-M73 HydrophobicContact CB-CE 4.4Å; N14-V76 HydrophobicContact CB-CG2 4.36Å
15	Q	92.4	Very high	93.5	Very high	67 Å²	67	17.9 Å²	17.9	31%	0.313	9%	0.089	S	C	.	.	H	α-helix	trans	-67.6	-46.6	176.8	-73.6	180	31.9	0	0	112.3	Q11 C12 K19 N226	Q11-Q15 VanDerWaalsContact O-CG 3.32Å; Q11-Q15 WeakPolarHBondContact O-CG 3.47Å; Q11-Q15 PolarHBondContact O-N 3.43Å; Q11-Q15 VanDerWaalsContact O-N 3.13Å; C12-Q15 PolarHBondContact O-N 3.45Å; Q15-K19 PolarHBondContact O-N 3.31Å; Q15-K19 VanDerWaalsContact O-N 3.16Å; Q15-N226 PolarHBondContact OE1-ND2 3.42Å
16	I	93.6	Very high	93.2	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-67.8	-44.9	178.7	-69.4	170.8	0	0	0	110.1	C12 S18 K19 F20 V136 I169 N226 V229 M233	C12-I16 WeakPolarHBondContact O-CG1 3.26Å; C12-I16 PolarHBondContact O-N 3.31Å; C12-I16 VanDerWaalsContact SG-CD1 3.55Å; I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 2.98Å; I16-K19 CarbonylContact O-C 3.57Å; I16-K19 PolarHBondContact O-N 3.25Å; I16-K19 VanDerWaalsContact O-N 3.11Å; I16-F20 PolarHBondContact O-N 2.86Å; I16-V136 HydrophobicContact CB-CG1 4.1Å; I16-V136 HydrophobicContact CG2-CG1 3.83Å; I16-I169 HydrophobicContact CD1-CD1 3.4Å; I16-I169 VanDerWaalsContact CD1-CD1 3.4Å; I16-I169 HydrophobicContact CD1-CG1 3.54Å; I16-N226 HydrophobicContact CG1-CB 4.32Å; I16-N226 VanDerWaalsContact CG1-OD1 3.3Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.41Å; I16-V229 HydrophobicContact CD1-CG1 4.29Å; I16-V229 HydrophobicContact CG2-CB 4.21Å; I16-V229 HydrophobicContact CG2-CG1 3.48Å; I16-V229 VanDerWaalsContact CG2-CG1 3.48Å; I16-M233 HydrophobicContact CG2-SD 3.55Å; I16-M233 VanDerWaalsContact CG2-SD 3.55Å
17	G	93.4	Very high	92.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-41.2	177.7	0	0	0	0	0	112.5	Q8 G13 K19 F20 W21	Q8-G17 VanDerWaalsContact NE2-CA 3.34Å; G13-G17 WeakPolarHBondContact O-CA 3.46Å; G13-G17 PolarHBondContact O-N 3.18Å; G17-K19 VanDerWaalsContact C-N 3.33Å; G17-K19 PolarHBondContact O-N 3.13Å; G17-F20 WeakPolarHBondContact O-CB 3.3Å; G17-F20 PolarHBondContact O-N 3.42Å; G17-W21 PolarHBondContact O-N 3.23Å
18	S	92.8	Very high	92.6	Very high	15 Å²	15	21.1 Å²	21.1	11%	0.105	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-44.4	171.6	-64.9	0	0	0	0	111.7	N14 I16 W21 E22 V76 I81	N14-S18 VanDerWaalsContact O-CB 3.22Å; N14-S18 WeakPolarHBondContact O-CB 3.33Å; N14-S18 PolarHBondContact O-N 2.79Å; N14-S18 PolarHBondContact O-OG 3.44Å; I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 2.98Å; S18-W21 PolarHBondContact O-N 3.14Å; S18-E22 PolarHBondContact O-N 3.28Å; S18-V76 WeakPolarHBondContact OG-CG1 3.47Å; S18-I81 WeakPolarHBondContact O-CD1 3.48Å
19	K	92.4	Very high	92.3	Very high	76 Å²	76	21.8 Å²	21.8	33%	0.33	11%	0.111	S	C	.	.	H	α-helix	trans	-66.4	-37	176.1	-73.4	-72.9	161.7	-161.4	0	112.7	Q15 I16 G17 E22 V23 N226	Q15-K19 PolarHBondContact O-N 3.31Å; Q15-K19 VanDerWaalsContact O-N 3.16Å; I16-K19 CarbonylContact O-C 3.57Å; I16-K19 PolarHBondContact O-N 3.25Å; I16-K19 VanDerWaalsContact O-N 3.11Å; G17-K19 VanDerWaalsContact C-N 3.33Å; G17-K19 PolarHBondContact O-N 3.13Å; K19-E22 WeakPolarHBondContact CD-OE2 3.47Å; K19-E22 IonicContact NZ-OE2 3.26Å; K19-E22 PolarHBondContact NZ-OE2 3.4Å; K19-E22 PolarHBondContact O-N 3.26Å; K19-V23 WeakPolarHBondContact O-CG2 3.36Å; K19-V23 PolarHBondContact O-N 2.85Å; K19-N226 HydrophobicContact CG-CB 4.18Å
20	F	94.2	Very high	92	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.2	-50.9	173.2	169.2	-106.3	0	0	0	111.1	H6 I16 G17 E22 V23 I24 Y50 M233 T237	H6-F20 AromaticContact CE1-CD1 3.84Å; H6-F20 AromaticContact CE1-CE1 4Å; I16-F20 PolarHBondContact O-N 2.86Å; G17-F20 WeakPolarHBondContact O-CB 3.3Å; G17-F20 PolarHBondContact O-N 3.42Å; F20-E22 VanDerWaalsContact C-N 3.33Å; F20-E22 PolarHBondContact O-N 2.81Å; F20-V23 PolarHBondContact O-N 3.38Å; F20-V23 VanDerWaalsContact O-N 3.15Å; F20-I24 HydrophobicContact CD1-CD1 4.29Å; F20-I24 HydrophobicContact CD2-CG2 3.99Å; F20-I24 HydrophobicContact CE1-CD1 3.64Å; F20-I24 HydrophobicContact CE1-CG1 4.34Å; F20-I24 HydrophobicContact CE2-CG2 3.55Å; F20-I24 HydrophobicContact CZ-CD1 3.79Å; F20-I24 HydrophobicContact CZ-CG1 4.42Å; F20-I24 HydrophobicContact CZ-CG2 3.87Å; F20-I24 WeakPolarHBondContact O-CG1 3.49Å; F20-I24 PolarHBondContact O-N 3.29Å; F20-Y50 HydrophobicContact CE1-CD1 4.41Å; F20-Y50 HydrophobicContact CE1-CE1 4.08Å; F20-Y50 HydrophobicContact CZ-CE1 4.02Å; F20-M233 HydrophobicContact CB-CE 3.93Å; F20-M233 HydrophobicContact CB-SD 4.14Å; F20-M233 HydrophobicContact CD1-CE 4.18Å; F20-M233 HydrophobicContact CD2-CB 3.56Å; F20-M233 HydrophobicContact CD2-CE 3.87Å; F20-M233 HydrophobicContact CD2-SD 4.37Å; F20-M233 HydrophobicContact CE2-CB 3.96Å; F20-M233 HydrophobicContact CE2-CE 4.42Å; F20-M233 HydrophobicContact CG-CB 4.45Å; F20-M233 HydrophobicContact CG-CE 3.72Å; F20-M233 HydrophobicContact CG-SD 4.4Å; F20-T237 HydrophobicContact CE2-CG2 4.3Å; F20-T237 HydrophobicContact CZ-CG2 4.3Å
21	W	94.1	Very high	91.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-36.6	177.5	-75.1	108.4	0	0	0	113.3	H6 G17 S18 I24 S25 Y50 F51 P61 A63 I81 F85	H6-W21 HydrophobicContact CB-CZ2 3.77Å; H6-W21 AromaticContact CD2-NE1 3.36Å; H6-W21 PolarHBondContact CD2-NE1 3.16Å; H6-W21 AromaticContact CG-CZ2 3.99Å; H6-W21 AromaticContact NE2-NE1 3.74Å; G17-W21 PolarHBondContact O-N 3.23Å; S18-W21 PolarHBondContact O-N 3.14Å; W21-I24 HydrophobicContact CD2-CD1 4.04Å; W21-I24 HydrophobicContact CD2-CG1 4.48Å; W21-I24 HydrophobicContact CE3-CD1 3.35Å; W21-I24 HydrophobicContact CE3-CG1 3.88Å; W21-I24 HydrophobicContact CH2-CD1 4.12Å; W21-I24 HydrophobicContact CZ3-CD1 3.4Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.4Å; W21-I24 HydrophobicContact CZ3-CG1 4.37Å; W21-S25 WeakPolarHBondContact O-CB 3.41Å; W21-S25 PolarHBondContact O-N 2.65Å; W21-S25 PolarHBondContact O-OG 3.45Å; W21-Y50 AromaticContact CH2-CD1 3.69Å; W21-Y50 HydrophobicContact CH2-CD1 3.69Å; W21-Y50 HydrophobicContact CH2-CG 4.2Å; W21-Y50 VanDerWaalsContact CH2-O 3.28Å; W21-Y50 WeakPolarHBondContact CH2-O 3.26Å; W21-Y50 HydrophobicContact CZ2-CD1 4.2Å; W21-Y50 HydrophobicContact CZ3-CD1 4.4Å; W21-F51 HydrophobicContact CE3-CE1 4.12Å; W21-F51 HydrophobicContact CE3-CE2 4.49Å; W21-F51 AromaticContact CE3-CZ 3.86Å; W21-F51 HydrophobicContact CE3-CZ 3.86Å; W21-F51 HydrophobicContact CZ3-CD1 4.39Å; W21-F51 HydrophobicContact CZ3-CD2 4.42Å; W21-F51 AromaticContact CZ3-CE1 3.94Å; W21-F51 HydrophobicContact CZ3-CE1 3.94Å; W21-F51 AromaticContact CZ3-CE2 3.98Å; W21-F51 HydrophobicContact CZ3-CE2 3.98Å; W21-F51 AromaticContact CZ3-CZ 3.71Å; W21-F51 HydrophobicContact CZ3-CZ 3.71Å; W21-P61 HydrophobicContact CD2-CB 3.87Å; W21-P61 HydrophobicContact CD2-CG 4.17Å; W21-P61 HydrophobicContact CE3-CB 3.61Å; W21-P61 HydrophobicContact CE3-CG 3.73Å; W21-P61 HydrophobicContact CH2-CB 3.67Å; W21-P61 HydrophobicContact CZ2-CB 3.92Å; W21-P61 HydrophobicContact CZ3-CB 3.51Å; W21-P61 HydrophobicContact CZ3-CG 3.96Å; W21-A63 HydrophobicContact CZ2-CB 3.69Å; W21-I81 HydrophobicContact CB-CD1 3.9Å; W21-F85 HydrophobicContact CB-CE1 4.33Å; W21-F85 HydrophobicContact CB-CZ 3.82Å; W21-F85 AromaticContact CD1-CE1 3.5Å; W21-F85 VanDerWaalsContact CD1-CE1 3.5Å; W21-F85 AromaticContact CD1-CZ 3.48Å; W21-F85 VanDerWaalsContact CD1-CZ 3.48Å; W21-F85 HydrophobicContact CD2-CE1 4.19Å; W21-F85 AromaticContact CG-CE1 3.75Å; W21-F85 HydrophobicContact CG-CE1 3.75Å; W21-F85 AromaticContact CG-CZ 3.68Å; W21-F85 HydrophobicContact CG-CZ 3.68Å; W21-F85 AromaticContact NE1-CE1 3.81Å
22	E	91.7	Very high	91.5	Very high	48 Å²	48	19.8 Å²	19.8	22%	0.224	11%	0.108	C	C	.	.	H	α-helix	trans	-58.8	-50.5	172.2	-174.5	175.8	-167.8	0	0	110.6	S18 K19 F20 E26 I81	S18-E22 PolarHBondContact O-N 3.28Å; K19-E22 WeakPolarHBondContact CD-OE2 3.47Å; K19-E22 IonicContact NZ-OE2 3.26Å; K19-E22 PolarHBondContact NZ-OE2 3.4Å; K19-E22 PolarHBondContact O-N 3.26Å; F20-E22 VanDerWaalsContact C-N 3.33Å; F20-E22 PolarHBondContact O-N 2.81Å; E22-E26 WeakPolarHBondContact O-CB 3.45Å; E22-E26 VanDerWaalsContact O-CG 3.26Å; E22-E26 WeakPolarHBondContact O-CG 3.36Å; E22-E26 PolarHBondContact O-N 3.12Å; E22-E26 VanDerWaalsContact O-N 3.08Å; E22-I81 HydrophobicContact CB-CD1 4.37Å; E22-I81 HydrophobicContact CB-CG2 4.39Å
23	V	91.4	Very high	91.1	Very high	21 Å²	21	22 Å²	22	13%	0.127	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-48.2	-179.2	172.4	0	0	0	0	111.9	K19 F20 E26 E27	K19-V23 WeakPolarHBondContact O-CG2 3.36Å; K19-V23 PolarHBondContact O-N 2.85Å; F20-V23 PolarHBondContact O-N 3.38Å; F20-V23 VanDerWaalsContact O-N 3.15Å; V23-E26 PolarHBondContact O-N 3.03Å; V23-E27 WeakPolarHBondContact O-CG 3.34Å; V23-E27 PolarHBondContact O-N 2.69Å
24	I	92.4	Very high	90.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-71.5	-33.9	-177.4	64	161.9	0	0	0	112.3	F20 W21 E26 E27 H28 Y50 F51	F20-I24 HydrophobicContact CD1-CD1 4.29Å; F20-I24 HydrophobicContact CD2-CG2 3.99Å; F20-I24 HydrophobicContact CE1-CD1 3.64Å; F20-I24 HydrophobicContact CE1-CG1 4.34Å; F20-I24 HydrophobicContact CE2-CG2 3.55Å; F20-I24 HydrophobicContact CZ-CD1 3.79Å; F20-I24 HydrophobicContact CZ-CG1 4.42Å; F20-I24 HydrophobicContact CZ-CG2 3.87Å; F20-I24 WeakPolarHBondContact O-CG1 3.49Å; F20-I24 PolarHBondContact O-N 3.29Å; W21-I24 HydrophobicContact CD2-CD1 4.04Å; W21-I24 HydrophobicContact CD2-CG1 4.48Å; W21-I24 HydrophobicContact CE3-CD1 3.35Å; W21-I24 HydrophobicContact CE3-CG1 3.88Å; W21-I24 HydrophobicContact CH2-CD1 4.12Å; W21-I24 HydrophobicContact CZ3-CD1 3.4Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.4Å; W21-I24 HydrophobicContact CZ3-CG1 4.37Å; I24-E26 VanDerWaalsContact C-N 3.31Å; I24-E26 PolarHBondContact O-N 3.3Å; I24-E27 PolarHBondContact O-N 3.1Å; I24-H28 PolarHBondContact O-CD2 2.71Å; I24-H28 PolarHBondContact O-N 3.21Å; I24-Y50 HydrophobicContact CD1-CD1 4.41Å; I24-Y50 HydrophobicContact CD1-CG 4.28Å; I24-F51 HydrophobicContact CD1-CE2 4.21Å; I24-F51 HydrophobicContact CD1-CZ 4.36Å
25	S	91.8	Very high	90.6	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.028	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-43.2	174.3	-58.4	0	0	0	0	110.2	W21 E27 H28 G29 I30 L84	W21-S25 WeakPolarHBondContact O-CB 3.41Å; W21-S25 PolarHBondContact O-N 2.65Å; W21-S25 PolarHBondContact O-OG 3.45Å; S25-E27 PolarHBondContact O-N 2.91Å; S25-H28 CarbonylContact O-C 3.52Å; S25-H28 PolarHBondContact O-N 3.38Å; S25-G29 PolarHBondContact O-N 2.96Å; S25-I30 PolarHBondContact O-N 3.18Å; S25-L84 WeakPolarHBondContact OG-CD2 3.32Å
26	E	89.4	Confident	90.5	Very high	58 Å²	58	25.1 Å²	25.1	27%	0.271	14%	0.135	S	C	.	.	H	α-helix	trans	-65.4	-36.4	175.7	-70.3	-174	161.8	0	0	113	E22 V23 I24 H28 G29 R80 R359	E22-E26 WeakPolarHBondContact O-CB 3.45Å; E22-E26 VanDerWaalsContact O-CG 3.26Å; E22-E26 WeakPolarHBondContact O-CG 3.36Å; E22-E26 PolarHBondContact O-N 3.12Å; E22-E26 VanDerWaalsContact O-N 3.08Å; V23-E26 PolarHBondContact O-N 3.03Å; I24-E26 VanDerWaalsContact C-N 3.31Å; I24-E26 PolarHBondContact O-N 3.3Å; E26-H28 VanDerWaalsContact C-N 3.34Å; E26-G29 PolarHBondContact O-N 2.97Å; E26-R80 IonicContact OE1-NH1 2.78Å; E26-R359 IonicContact OE1-NH1 2.92Å; E26-R359 PolarHBondContact OE1-NH1 3.41Å; E26-R359 WeakPolarHBondContact OE2-CD 3.49Å; E26-R359 IonicContact OE2-CZ 3.57Å; E26-R359 IonicContact OE2-NE 3.98Å; E26-R359 IonicContact OE2-NH1 3.27Å; E26-R359 PolarHBondContact OE2-NH1 3.29Å
27	E	89.5	Confident	90.2	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-33.4	175.1	-74.4	-174.6	-173.1	0	0	113.2	V23 I24 S25 Q43 S234 R241 F242 R318	V23-E27 WeakPolarHBondContact O-CG 3.34Å; V23-E27 PolarHBondContact O-N 2.69Å; I24-E27 PolarHBondContact O-N 3.1Å; S25-E27 PolarHBondContact O-N 2.91Å; E27-Q43 PolarHBondContact O-NE2 3.36Å; E27-S234 PolarHBondContact OE1-OG 2.87Å; E27-S234 PolarHBondContact OE2-OG 2.94Å; E27-R241 IonicContact OE2-CZ 3.52Å; E27-R241 VanDerWaalsContact OE2-CZ 3.25Å; E27-R241 IonicContact OE2-NH1 3.25Å; E27-R241 PolarHBondContact OE2-NH1 3.1Å; E27-R241 IonicContact OE2-NH2 2.73Å; E27-R241 PolarHBondContact OE2-NH2 2.94Å; E27-F242 HydrophobicContact CB-CZ 4.2Å; E27-R318 IonicContact OE1-CZ 3.64Å; E27-R318 IonicContact OE1-NH1 2.91Å; E27-R318 PolarHBondContact OE1-NH1 3.14Å; E27-R318 IonicContact OE1-NH2 2.8Å; E27-R318 PolarHBondContact OE1-NH2 3.39Å; E27-R318 IonicContact OE2-CZ 3.75Å; E27-R318 IonicContact OE2-NH1 2.96Å; E27-R318 PolarHBondContact OE2-NH1 3.46Å; E27-R318 IonicContact OE2-NH2 2.86Å; E27-R318 PolarHBondContact OE2-NH2 2.85Å
28	H	89.6	Confident	89.7	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.1	175.8	-74.6	-75.7	0	0	0	113.7	I24 S25 E26 I30 Y36 Q43 L47 R241 F242	I24-H28 PolarHBondContact O-CD2 2.71Å; I24-H28 PolarHBondContact O-N 3.21Å; S25-H28 CarbonylContact O-C 3.52Å; S25-H28 PolarHBondContact O-N 3.38Å; E26-H28 VanDerWaalsContact C-N 3.34Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 4.31Å; H28-I30 HydrophobicContact CB-CG1 4.39Å; H28-I30 PolarHBondContact O-N 3.49Å; H28-Y36 WeakPolarHBondContact O-CD2 3.42Å; H28-Y36 WeakPolarHBondContact O-CE2 3.5Å; H28-Q43 PolarHBondContact ND1-O 2.79Å; H28-L47 HydrophobicContact CB-CD1 3.52Å; H28-L47 VanDerWaalsContact CG-CD1 3.41Å; H28-L47 WeakPolarHBondContact ND1-CD1 3.45Å; H28-R241 PolarHBondContact CE1-O 2.97Å; H28-R241 PolarHBondContact NE2-NH1 2.98Å; H28-F242 AromaticContact CE1-CE1 3.53Å; H28-F242 AromaticContact CE1-CZ 3.75Å; H28-F242 AromaticContact ND1-CE1 3.82Å; H28-F242 AromaticContact NE2-CZ 3.91Å
29	G	89.2	Confident	89.2	Confident	14 Å²	14	40 Å²	40	14%	0.144	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	24.2	-179.5	0	0	0	0	0	114	S25 E26 E37 G38	S25-G29 PolarHBondContact O-N 2.96Å; E26-G29 PolarHBondContact O-N 2.97Å; G29-E37 PolarHBondContact O-N 3.19Å; G29-G38 PolarHBondContact O-N 2.89Å
30	I	90.6	Very high	88.7	Confident	9 Å²	9	38.4 Å²	38.4	5%	0.046	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-88.1	126.9	176.1	-65.1	169.7	0	0	0	109.6	S25 H28 L35 L47 F51 Y59 L84	S25-I30 PolarHBondContact O-N 3.18Å; H28-I30 VanDerWaalsContact C-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 4.31Å; H28-I30 HydrophobicContact CB-CG1 4.39Å; H28-I30 PolarHBondContact O-N 3.49Å; I30-L35 WeakPolarHBondContact CA-O 3.3Å; I30-L47 HydrophobicContact CD1-CD1 3.7Å; I30-L47 HydrophobicContact CD1-CD2 4.07Å; I30-L47 HydrophobicContact CD1-CG 4.29Å; I30-F51 HydrophobicContact CD1-CD1 3.69Å; I30-F51 HydrophobicContact CD1-CD2 4Å; I30-F51 HydrophobicContact CD1-CE1 3.52Å; I30-F51 HydrophobicContact CD1-CE2 3.85Å; I30-F51 HydrophobicContact CD1-CG 3.93Å; I30-F51 HydrophobicContact CD1-CZ 3.61Å; I30-Y59 HydrophobicContact CD1-CD2 4.44Å; I30-Y59 HydrophobicContact CD1-CG 4.23Å; I30-Y59 HydrophobicContact CG1-CD2 4.47Å; I30-L84 HydrophobicContact CG2-CD1 4.12Å
31	N	88.8	Confident	88.2	Confident	32 Å²	32	45 Å²	45	17%	0.171	25%	0.248	C	C	.	.			trans	-79	171.9	174.8	77.9	12.7	0	0	0	112	T33 G34 L35 E37	N31-T33 PolarHBondContact ND2-OG1 2.92Å; N31-T33 PolarHBondContact O-N 2.96Å; N31-T33 WeakPolarHBondContact OD1-CA 3.35Å; N31-T33 PolarHBondContact OD1-N 2.8Å; N31-T33 PolarHBondContact OD1-OG1 3.47Å; N31-G34 PolarHBondContact O-N 2.77Å; N31-G34 PolarHBondContact OD1-N 2.75Å; N31-G34 VanDerWaalsContact OD1-N 3.14Å; N31-L35 PolarHBondContact N-O 3.42Å; N31-L35 PolarHBondContact OD1-N 3.41Å; N31-L35 PolarHBondContact OD1-O 2.7Å; N31-E37 PolarHBondContact ND2-OE1 2.75Å
32	A	84.8	Confident	87.8	Confident	31 Å²	31	48.2 Å²	48.2	26%	0.256	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-14.6	-179.7	0	0	0	0	0	115	R80	A32-R80 HydrophobicContact CB-CG 4.34Å; A32-R80 VanDerWaalsContact CB-O 3.27Å; A32-R80 WeakPolarHBondContact CB-O 2.84Å
33	T	84.3	Confident	87.5	Confident	76 Å²	76	47.3 Å²	47.3	47%	0.466	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	0.6	179	67.1	0	0	0	0	113.4	N31	N31-T33 PolarHBondContact ND2-OG1 2.92Å; N31-T33 PolarHBondContact O-N 2.96Å; N31-T33 WeakPolarHBondContact OD1-CA 3.35Å; N31-T33 PolarHBondContact OD1-N 2.8Å; N31-T33 PolarHBondContact OD1-OG1 3.47Å
34	G	86.1	Confident	87.2	Confident	2 Å²	2	49 Å²	49	2%	0.021	27%	0.268	C	S	.	.	S	Bend	trans	86.3	6.3	-179.2	0	0	0	0	0	114.6	N31 K58 Y59 L84	N31-G34 PolarHBondContact O-N 2.77Å; N31-G34 PolarHBondContact OD1-N 2.75Å; N31-G34 VanDerWaalsContact OD1-N 3.14Å; G34-K58 CarbonylContact O-C 3.59Å; G34-K58 WeakPolarHBondContact O-CA 3.46Å; G34-Y59 WeakPolarHBondContact CA-O 3.45Å; G34-Y59 PolarHBondContact O-N 3.43Å; G34-L84 VanDerWaalsContact CA-CD1 3.46Å
35	L	89.4	Confident	86.8	Confident	69 Å²	69	54.8 Å²	54.8	36%	0.361	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-86.8	141.6	177.8	-65.3	168.4	0	0	0	110.5	I30 N31 K58	I30-L35 WeakPolarHBondContact CA-O 3.3Å; N31-L35 PolarHBondContact N-O 3.42Å; N31-L35 PolarHBondContact OD1-N 3.41Å; N31-L35 PolarHBondContact OD1-O 2.7Å; L35-K58 HydrophobicContact CD2-CG 3.97Å
36	Y	90.8	Very high	86.6	Confident	61 Å²	61	57.5 Å²	57.5	24%	0.239	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-78.6	121.2	173.8	178.4	-100.7	0	0	0	110.8	H28 G38 S40 Q43 L44	H28-Y36 WeakPolarHBondContact O-CD2 3.42Å; H28-Y36 WeakPolarHBondContact O-CE2 3.5Å; Y36-G38 WeakPolarHBondContact CE1-O 3.49Å; Y36-G38 VanDerWaalsContact CZ-CA 3.41Å; Y36-S40 PolarHBondContact OH-N 2.99Å; Y36-S40 PolarHBondContact OH-O 3.08Å; Y36-Q43 HydrophobicContact CE2-CB 4.06Å; Y36-Q43 PolarHBondContact OH-OE1 3.1Å; Y36-L44 HydrophobicContact CD1-CD1 4.17Å; Y36-L44 HydrophobicContact CD1-CD2 4.22Å; Y36-L44 HydrophobicContact CD2-CD2 3.43Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.43Å; Y36-L44 HydrophobicContact CD2-CG 4.12Å; Y36-L44 HydrophobicContact CE1-CD1 3.86Å; Y36-L44 HydrophobicContact CE1-CD2 4.35Å; Y36-L44 HydrophobicContact CE1-CG 4.18Å; Y36-L44 HydrophobicContact CE2-CD1 4.34Å; Y36-L44 HydrophobicContact CE2-CD2 3.56Å; Y36-L44 HydrophobicContact CE2-CG 3.75Å; Y36-L44 HydrophobicContact CG-CD2 3.76Å; Y36-L44 HydrophobicContact CG-CG 4.47Å
37	E	88.4	Confident	86.5	Confident	138 Å²	138	55 Å²	55	65%	0.645	29%	0.293	S	S	*	.			trans	-123.7	23.4	174.9	-65.6	177.4	178.3	0	0	110.5	G29 N31	G29-E37 PolarHBondContact O-N 3.19Å; N31-E37 PolarHBondContact ND2-OE1 2.75Å
38	G	82.6	Confident	86.5	Confident	20 Å²	20	56.7 Å²	56.7	21%	0.206	30%	0.303	C	S	.	.			trans	-78.4	164.7	-179.6	0	0	0	0	0	113.6	G29 Y36	G29-G38 PolarHBondContact O-N 2.89Å; Y36-G38 WeakPolarHBondContact CE1-O 3.49Å; Y36-G38 VanDerWaalsContact CZ-CA 3.41Å
39	D	82.3	Confident	86.6	Confident	171 Å²	171	56.9 Å²	56.9	91%	0.914	30%	0.304	S	S	*	.	S	Bend	trans	-107.2	-1.1	-175.7	-60.5	-43.1	0	0	0	112.9
40	S	82.2	Confident	86.8	Confident	43 Å²	43	56.4 Å²	56.4	30%	0.301	30%	0.298	S	S	.	.			trans	-139.1	126.9	-170.7	-177	0	0	0	0	113.4	Y36 I42 Q43	Y36-S40 PolarHBondContact OH-N 2.99Å; Y36-S40 PolarHBondContact OH-O 3.08Å; S40-I42 PolarHBondContact O-N 2.85Å; S40-I42 VanDerWaalsContact O-N 3.14Å; S40-Q43 VanDerWaalsContact O-CB 3.26Å; S40-Q43 WeakPolarHBondContact O-CB 3.39Å; S40-Q43 PolarHBondContact O-N 2.69Å
41	D	83.8	Confident	86.9	Confident	139 Å²	139	56.1 Å²	56.1	74%	0.743	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.6	178.3	-59.3	-28.8	0	0	0	113.5	Q43 L44 E45	D41-Q43 PolarHBondContact O-N 3.31Å; D41-L44 PolarHBondContact O-N 3.29Å; D41-E45 PolarHBondContact O-N 2.97Å
42	I	84.4	Confident	87	Confident	66 Å²	66	55.7 Å²	55.7	34%	0.338	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-25.5	178.6	-53.7	173.8	0	0	0	111	S40 L44 P243 I356	S40-I42 PolarHBondContact O-N 2.85Å; S40-I42 VanDerWaalsContact O-N 3.14Å; I42-L44 VanDerWaalsContact C-N 3.25Å; I42-L44 PolarHBondContact O-N 3.3Å; I42-P243 HydrophobicContact CG2-CG 3.6Å; I42-I356 HydrophobicContact CB-CD1 3.9Å; I42-I356 HydrophobicContact CG2-CD1 3.43Å; I42-I356 VanDerWaalsContact CG2-CD1 3.43Å; I42-I356 HydrophobicContact CG2-CG1 4.45Å
43	Q	85.4	Confident	87.2	Confident	29 Å²	29	61 Å²	61	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-25.9	175.4	-64.7	173.6	-45.4	0	0	112.6	E27 H28 Y36 S40 D41	E27-Q43 PolarHBondContact O-NE2 3.36Å; H28-Q43 PolarHBondContact ND1-O 2.79Å; Y36-Q43 HydrophobicContact CE2-CB 4.06Å; Y36-Q43 PolarHBondContact OH-OE1 3.1Å; S40-Q43 VanDerWaalsContact O-CB 3.26Å; S40-Q43 WeakPolarHBondContact O-CB 3.39Å; S40-Q43 PolarHBondContact O-N 2.69Å; D41-Q43 PolarHBondContact O-N 3.31Å
44	L	86.3	Confident	87.3	Confident	58 Å²	58	59.3 Å²	59.3	30%	0.304	31%	0.307	S	S	.	.	H	α-helix	trans	-90.5	-26.1	-179.1	-66.2	176.6	0	0	0	112.8	Y36 D41 I42 R46 L47 Y59	Y36-L44 HydrophobicContact CD1-CD1 4.17Å; Y36-L44 HydrophobicContact CD1-CD2 4.22Å; Y36-L44 HydrophobicContact CD2-CD2 3.43Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.43Å; Y36-L44 HydrophobicContact CD2-CG 4.12Å; Y36-L44 HydrophobicContact CE1-CD1 3.86Å; Y36-L44 HydrophobicContact CE1-CD2 4.35Å; Y36-L44 HydrophobicContact CE1-CG 4.18Å; Y36-L44 HydrophobicContact CE2-CD1 4.34Å; Y36-L44 HydrophobicContact CE2-CD2 3.56Å; Y36-L44 HydrophobicContact CE2-CG 3.75Å; Y36-L44 HydrophobicContact CG-CD2 3.76Å; Y36-L44 HydrophobicContact CG-CG 4.47Å; D41-L44 PolarHBondContact O-N 3.29Å; I42-L44 VanDerWaalsContact C-N 3.25Å; I42-L44 PolarHBondContact O-N 3.3Å; L44-R46 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 3.4Å; L44-R46 VanDerWaalsContact O-N 3.13Å; L44-L47 HydrophobicContact CD2-CD2 3.75Å; L44-L47 WeakPolarHBondContact O-CB 3.4Å; L44-L47 PolarHBondContact O-N 3.15Å; L44-Y59 HydrophobicContact CD2-CE2 4.31Å
45	E	84.6	Confident	87	Confident	121 Å²	121	68.4 Å²	68.4	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-57.8	-34.6	-167.6	-166.6	178.2	157.7	0	0	114.7	D41 P243	D41-E45 PolarHBondContact O-N 2.97Å; E45-P243 WeakPolarHBondContact OE2-CG 3.45Å
46	R	86.3	Confident	86.5	Confident	61 Å²	61	67.9 Å²	67.9	23%	0.23	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	26.1	177.6	-69.4	-170.2	-177.8	179.5	3.5	113	L44 N48 V49 S239 L240 R241 N247	L44-R46 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 3.4Å; L44-R46 VanDerWaalsContact O-N 3.13Å; R46-N48 WeakPolarHBondContact CA-OD1 3.41Å; R46-N48 PolarHBondContact O-N 2.96Å; R46-V49 HydrophobicContact CB-CG2 4.12Å; R46-V49 WeakPolarHBondContact O-CB 3.36Å; R46-V49 WeakPolarHBondContact O-CG2 3.33Å; R46-V49 PolarHBondContact O-N 3.15Å; R46-S239 PolarHBondContact NH1-O 3.13Å; R46-L240 WeakPolarHBondContact CD-O 3.3Å; R46-R241 VanDerWaalsContact CB-O 3.3Å; R46-R241 WeakPolarHBondContact CB-O 3.39Å; R46-N247 PolarHBondContact NH2-OD1 3.16Å
47	L	87.6	Confident	86.1	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-62.4	-33.7	-179.8	-169.7	64.1	0	0	0	112.2	H28 I30 L44 V49 Y50 F51 Y59	H28-L47 HydrophobicContact CB-CD1 3.52Å; H28-L47 VanDerWaalsContact CG-CD1 3.41Å; H28-L47 WeakPolarHBondContact ND1-CD1 3.45Å; I30-L47 HydrophobicContact CD1-CD1 3.7Å; I30-L47 HydrophobicContact CD1-CD2 4.07Å; I30-L47 HydrophobicContact CD1-CG 4.29Å; L44-L47 HydrophobicContact CD2-CD2 3.75Å; L44-L47 WeakPolarHBondContact O-CB 3.4Å; L44-L47 PolarHBondContact O-N 3.15Å; L47-V49 PolarHBondContact O-N 3.26Å; L47-V49 VanDerWaalsContact O-N 3.1Å; L47-Y50 PolarHBondContact O-N 3.49Å; L47-F51 HydrophobicContact CD1-CD2 3.52Å; L47-F51 HydrophobicContact CD1-CE2 3.93Å; L47-F51 HydrophobicContact CD1-CG 4.22Å; L47-F51 HydrophobicContact CG-CB 4.19Å; L47-F51 HydrophobicContact CG-CD2 4.03Å; L47-F51 HydrophobicContact CG-CG 4.34Å; L47-F51 PolarHBondContact O-N 3.2Å; L47-Y59 HydrophobicContact CD2-CD1 3.43Å; L47-Y59 VanDerWaalsContact CD2-CD1 3.43Å; L47-Y59 HydrophobicContact CD2-CD2 3.76Å; L47-Y59 HydrophobicContact CD2-CE1 3.48Å; L47-Y59 VanDerWaalsContact CD2-CE1 3.48Å; L47-Y59 HydrophobicContact CD2-CE2 3.78Å; L47-Y59 HydrophobicContact CD2-CG 3.57Å; L47-Y59 HydrophobicContact CG-CD1 4.19Å; L47-Y59 HydrophobicContact CG-CE1 4.44Å
48	N	89.4	Confident	86.2	Confident	46 Å²	46	64.6 Å²	64.6	25%	0.246	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-60.8	-16.3	178.6	64.6	-53.7	0	0	0	114.7	M1 R46 Y50 F51	M1-N48 WeakPolarHBondContact CB-ND2 3.5Å; M1-N48 WeakPolarHBondContact CG-ND2 3.46Å; M1-N48 PolarHBondContact SD-ND2 3.45Å; M1-N48 VanDerWaalsContact SD-ND2 3.4Å; R46-N48 WeakPolarHBondContact CA-OD1 3.41Å; R46-N48 PolarHBondContact O-N 2.96Å; N48-Y50 VanDerWaalsContact C-N 3.29Å; N48-Y50 PolarHBondContact O-N 3.44Å; N48-F51 VanDerWaalsContact CA-O 3.3Å; N48-F51 WeakPolarHBondContact CA-O 3.4Å
49	V	91	Very high	86.6	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.03	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-60.9	-42.1	176.4	176.4	0	0	0	0	110.8	I4 R46 L47 L240	I4-V49 HydrophobicContact CB-CG1 4.49Å; I4-V49 HydrophobicContact CD1-CG1 3.75Å; I4-V49 HydrophobicContact CG1-CG1 4.04Å; I4-V49 PolarHBondContact N-O 3.1Å; R46-V49 HydrophobicContact CB-CG2 4.12Å; R46-V49 WeakPolarHBondContact O-CB 3.36Å; R46-V49 WeakPolarHBondContact O-CG2 3.33Å; R46-V49 PolarHBondContact O-N 3.15Å; L47-V49 PolarHBondContact O-N 3.26Å; L47-V49 VanDerWaalsContact O-N 3.1Å; V49-L240 HydrophobicContact CG1-CB 4.39Å
50	Y	93.4	Very high	87.1	Confident	3 Å²	3	58.5 Å²	58.5	1%	0.012	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-20.4	-177	-82.9	-80.7	0	0	0	113.8	I4 F20 W21 I24 L47 N48 R62 Q134 T237 R241	I4-Y50 HydrophobicContact CB-CE1 4.39Å; I4-Y50 HydrophobicContact CD1-CE2 4.19Å; I4-Y50 HydrophobicContact CG2-CE1 4.19Å; F20-Y50 HydrophobicContact CE1-CD1 4.41Å; F20-Y50 HydrophobicContact CE1-CE1 4.08Å; F20-Y50 HydrophobicContact CZ-CE1 4.02Å; W21-Y50 AromaticContact CH2-CD1 3.69Å; W21-Y50 HydrophobicContact CH2-CD1 3.69Å; W21-Y50 HydrophobicContact CH2-CG 4.2Å; W21-Y50 VanDerWaalsContact CH2-O 3.28Å; W21-Y50 WeakPolarHBondContact CH2-O 3.26Å; W21-Y50 HydrophobicContact CZ2-CD1 4.2Å; W21-Y50 HydrophobicContact CZ3-CD1 4.4Å; I24-Y50 HydrophobicContact CD1-CD1 4.41Å; I24-Y50 HydrophobicContact CD1-CG 4.28Å; L47-Y50 PolarHBondContact O-N 3.49Å; N48-Y50 VanDerWaalsContact C-N 3.29Å; N48-Y50 PolarHBondContact O-N 3.44Å; Y50-R62 WeakPolarHBondContact O-CB 3.3Å; Y50-R62 PolarHBondContact O-N 3.21Å; Y50-Q134 PolarHBondContact OH-OE1 2.76Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.4Å; Y50-R241 HydrophobicContact CD2-CG 3.52Å; Y50-R241 HydrophobicContact CE2-CG 3.63Å
51	F	93.3	Very high	87.7	Confident	3 Å²	3	56.5 Å²	56.5	1%	0.013	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.6	-177	-64.4	-95	0	0	0	111.8	W21 I24 I30 L47 N48 Y59 V60 P61 L84	W21-F51 HydrophobicContact CE3-CE1 4.12Å; W21-F51 HydrophobicContact CE3-CE2 4.49Å; W21-F51 AromaticContact CE3-CZ 3.86Å; W21-F51 HydrophobicContact CE3-CZ 3.86Å; W21-F51 HydrophobicContact CZ3-CD1 4.39Å; W21-F51 HydrophobicContact CZ3-CD2 4.42Å; W21-F51 AromaticContact CZ3-CE1 3.94Å; W21-F51 HydrophobicContact CZ3-CE1 3.94Å; W21-F51 AromaticContact CZ3-CE2 3.98Å; W21-F51 HydrophobicContact CZ3-CE2 3.98Å; W21-F51 AromaticContact CZ3-CZ 3.71Å; W21-F51 HydrophobicContact CZ3-CZ 3.71Å; I24-F51 HydrophobicContact CD1-CE2 4.21Å; I24-F51 HydrophobicContact CD1-CZ 4.36Å; I30-F51 HydrophobicContact CD1-CD1 3.69Å; I30-F51 HydrophobicContact CD1-CD2 4Å; I30-F51 HydrophobicContact CD1-CE1 3.52Å; I30-F51 HydrophobicContact CD1-CE2 3.85Å; I30-F51 HydrophobicContact CD1-CG 3.93Å; I30-F51 HydrophobicContact CD1-CZ 3.61Å; L47-F51 HydrophobicContact CD1-CD2 3.52Å; L47-F51 HydrophobicContact CD1-CE2 3.93Å; L47-F51 HydrophobicContact CD1-CG 4.22Å; L47-F51 HydrophobicContact CG-CB 4.19Å; L47-F51 HydrophobicContact CG-CD2 4.03Å; L47-F51 HydrophobicContact CG-CG 4.34Å; L47-F51 PolarHBondContact O-N 3.2Å; N48-F51 VanDerWaalsContact CA-O 3.3Å; N48-F51 WeakPolarHBondContact CA-O 3.4Å; F51-Y59 HydrophobicContact CB-CD1 4.42Å; F51-V60 CarbonylContact C-O 3.4Å; F51-V60 WeakPolarHBondContact CA-O 3.44Å; F51-P61 HydrophobicContact CD1-CG 4.16Å; F51-P61 HydrophobicContact CE1-CG 3.84Å; F51-L84 HydrophobicContact CE1-CD2 4.49Å
52	N	91.4	Very high	88.2	Confident	23 Å²	23	50.2 Å²	50.2	12%	0.123	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.8	164.9	-78.8	-47.5	0	0	0	109.8	A54 Y59 V60 R62 E123	N52-A54 PolarHBondContact O-N 2.79Å; N52-Y59 WeakPolarHBondContact O-CA 3.43Å; N52-V60 PolarHBondContact N-O 3.4Å; N52-V60 PolarHBondContact O-N 2.81Å; N52-R62 PolarHBondContact ND2-NH1 3.16Å; N52-R62 VanDerWaalsContact ND2-NH1 3.19Å; N52-R62 PolarHBondContact OD1-NH1 2.83Å; N52-R62 VanDerWaalsContact OD1-NH1 3.08Å; N52-R62 PolarHBondContact OD1-NH2 2.86Å; N52-E123 PolarHBondContact ND2-OE2 3.31Å; N52-E123 VanDerWaalsContact ND2-OE2 3.1Å
53	E	89.5	Confident	88.7	Confident	142 Å²	142	47.1 Å²	47.1	66%	0.664	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	110.1	170	-169.9	175.7	171.7	0	0	109.7	Y59	E53-Y59 HydrophobicContact CB-CD1 4.19Å; E53-Y59 HydrophobicContact CB-CE1 3.91Å; E53-Y59 HydrophobicContact CG-CD1 4.34Å; E53-Y59 HydrophobicContact CG-CE1 3.8Å
54	A	85.5	Confident	89.1	Confident	41 Å²	41	45.7 Å²	45.7	34%	0.339	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	167.9	174.6	0	0	0	0	0	111.4	N52 G56 G57 K58 V60	N52-A54 PolarHBondContact O-N 2.79Å; A54-G56 PolarHBondContact O-N 2.98Å; A54-G57 PolarHBondContact O-N 3.1Å; A54-K58 WeakPolarHBondContact CA-O 3.32Å; A54-K58 HydrophobicContact CB-CB 4.39Å; A54-K58 WeakPolarHBondContact CB-O 3.29Å; A54-K58 PolarHBondContact N-O 3.19Å; A54-K58 PolarHBondContact O-N 3.25Å; A54-V60 HydrophobicContact CB-CG2 4.11Å
55	H	79.6	Confident	89.6	Confident	193 Å²	193	43 Å²	43	89%	0.894	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	137.6	179.7	-166.7	75.3	0	0	0	112.3
56	G	79.4	Confident	90.1	Very high	58 Å²	58	37.2 Å²	37.2	60%	0.598	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	21.9	-179.2	0	0	0	0	0	114.9	A54 K58	A54-G56 PolarHBondContact O-N 2.98Å; G56-K58 VanDerWaalsContact C-N 3.29Å; G56-K58 PolarHBondContact O-N 3.26Å
57	G	82.3	Confident	90.5	Very high	32 Å²	32	34.4 Å²	34.4	33%	0.33	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	27.7	177.2	0	0	0	0	0	113.2	A54	A54-G57 PolarHBondContact O-N 3.1Å
58	K	89.3	Confident	90.7	Very high	99 Å²	99	34.3 Å²	34.3	43%	0.43	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.4	177.5	-73.8	-172.1	176.9	-172.9	0	110	G34 L35 A54 G56	G34-K58 CarbonylContact O-C 3.59Å; G34-K58 WeakPolarHBondContact O-CA 3.46Å; L35-K58 HydrophobicContact CD2-CG 3.97Å; A54-K58 WeakPolarHBondContact CA-O 3.32Å; A54-K58 HydrophobicContact CB-CB 4.39Å; A54-K58 WeakPolarHBondContact CB-O 3.29Å; A54-K58 PolarHBondContact N-O 3.19Å; A54-K58 PolarHBondContact O-N 3.25Å; G56-K58 VanDerWaalsContact C-N 3.29Å; G56-K58 PolarHBondContact O-N 3.26Å
59	Y	91.8	Very high	90.7	Very high	36 Å²	36	36.1 Å²	36.1	14%	0.141	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.8	176.5	-63.3	-74.6	0	0	0	110.3	I30 G34 L44 L47 F51 N52 E53 L84	I30-Y59 HydrophobicContact CD1-CD2 4.44Å; I30-Y59 HydrophobicContact CD1-CG 4.23Å; I30-Y59 HydrophobicContact CG1-CD2 4.47Å; G34-Y59 WeakPolarHBondContact CA-O 3.45Å; G34-Y59 PolarHBondContact O-N 3.43Å; L44-Y59 HydrophobicContact CD2-CE2 4.31Å; L47-Y59 HydrophobicContact CD2-CD1 3.43Å; L47-Y59 VanDerWaalsContact CD2-CD1 3.43Å; L47-Y59 HydrophobicContact CD2-CD2 3.76Å; L47-Y59 HydrophobicContact CD2-CE1 3.48Å; L47-Y59 VanDerWaalsContact CD2-CE1 3.48Å; L47-Y59 HydrophobicContact CD2-CE2 3.78Å; L47-Y59 HydrophobicContact CD2-CG 3.57Å; L47-Y59 HydrophobicContact CG-CD1 4.19Å; L47-Y59 HydrophobicContact CG-CE1 4.44Å; F51-Y59 HydrophobicContact CB-CD1 4.42Å; N52-Y59 WeakPolarHBondContact O-CA 3.43Å; E53-Y59 HydrophobicContact CB-CD1 4.19Å; E53-Y59 HydrophobicContact CB-CE1 3.91Å; E53-Y59 HydrophobicContact CG-CD1 4.34Å; E53-Y59 HydrophobicContact CG-CE1 3.8Å; Y59-L84 WeakPolarHBondContact O-CD1 3.25Å
60	V	92.6	Very high	90.4	Very high	26 Å²	26	38.6 Å²	38.6	16%	0.158	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.1	-177.8	-179.6	0	0	0	0	109.2	F51 N52 A54 R62 R86	F51-V60 CarbonylContact C-O 3.4Å; F51-V60 WeakPolarHBondContact CA-O 3.44Å; N52-V60 PolarHBondContact N-O 3.4Å; N52-V60 PolarHBondContact O-N 2.81Å; A54-V60 HydrophobicContact CB-CG2 4.11Å; V60-R62 PolarHBondContact O-N 2.78Å; V60-R86 HydrophobicContact CG1-CB 4.25Å
61	P	94.1	Very high	90.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	133	174.6	-31.7	38.2	0	0	0	113.2	W21 F51 A63 L84 F85	W21-P61 HydrophobicContact CD2-CB 3.87Å; W21-P61 HydrophobicContact CD2-CG 4.17Å; W21-P61 HydrophobicContact CE3-CB 3.61Å; W21-P61 HydrophobicContact CE3-CG 3.73Å; W21-P61 HydrophobicContact CH2-CB 3.67Å; W21-P61 HydrophobicContact CZ2-CB 3.92Å; W21-P61 HydrophobicContact CZ3-CB 3.51Å; W21-P61 HydrophobicContact CZ3-CG 3.96Å; F51-P61 HydrophobicContact CD1-CG 4.16Å; F51-P61 HydrophobicContact CE1-CG 3.84Å; P61-A63 HydrophobicContact CB-CB 4.12Å; P61-A63 PolarHBondContact O-N 2.95Å; P61-L84 VanDerWaalsContact CD-O 3.31Å; P61-L84 WeakPolarHBondContact CD-O 3.29Å; P61-L84 HydrophobicContact CG-CD2 3.69Å; P61-L84 HydrophobicContact CG-CG 3.65Å; P61-F85 HydrophobicContact CB-CD1 3.94Å; P61-F85 HydrophobicContact CB-CE1 3.93Å; P61-F85 HydrophobicContact CG-CD1 4.11Å; P61-F85 HydrophobicContact CG-CE1 4.1Å
62	R	94.5	Very high	89.8	Confident	7 Å²	7	41.2 Å²	41.2	3%	0.026	24%	0.242	C	C	.	.			trans	-79.2	64.7	166.9	-166	-178.1	-58.4	-79.1	13.7	109.8	I4 V5 H6 Y50 N52 V60 E123 S126	I4-R62 WeakPolarHBondContact O-CD 3.41Å; V5-R62 HydrophobicContact CG2-CG 4.04Å; H6-R62 PolarHBondContact N-O 2.84Å; Y50-R62 WeakPolarHBondContact O-CB 3.3Å; Y50-R62 PolarHBondContact O-N 3.21Å; N52-R62 PolarHBondContact ND2-NH1 3.16Å; N52-R62 VanDerWaalsContact ND2-NH1 3.19Å; N52-R62 PolarHBondContact OD1-NH1 2.83Å; N52-R62 VanDerWaalsContact OD1-NH1 3.08Å; N52-R62 PolarHBondContact OD1-NH2 2.86Å; V60-R62 PolarHBondContact O-N 2.78Å; R62-E123 HydrophobicContact CG-CB 4.44Å; R62-E123 PolarHBondContact NH1-O 3.13Å; R62-E123 VanDerWaalsContact NH1-O 3.15Å; R62-E123 IonicContact NH1-OE2 3.16Å; R62-E123 PolarHBondContact NH1-OE2 2.77Å; R62-E123 VanDerWaalsContact NH1-OE2 3.16Å; R62-S126 PolarHBondContact NH1-OG 2.77Å
63	A	94.9	Very high	89.5	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.4	-176.5	0	0	0	0	0	111.4	H6 W21 P61 L65 F85 N89	H6-A63 HydrophobicContact CB-CB 4.44Å; H6-A63 CarbonylContact O-C 3.51Å; H6-A63 VanDerWaalsContact O-CA 3.28Å; H6-A63 WeakPolarHBondContact O-CA 3.24Å; W21-A63 HydrophobicContact CZ2-CB 3.69Å; P61-A63 HydrophobicContact CB-CB 4.12Å; P61-A63 PolarHBondContact O-N 2.95Å; A63-L65 HydrophobicContact CB-CD1 4.39Å; A63-F85 HydrophobicContact CB-CD1 4.02Å; A63-F85 HydrophobicContact CB-CE1 3.85Å; A63-N89 VanDerWaalsContact O-CB 3.29Å; A63-N89 WeakPolarHBondContact O-CB 3.28Å; A63-N89 PolarHBondContact O-ND2 2.99Å
64	L	95.4	Very high	89.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.7	165.3	-70.8	81.9	0	0	0	109	V5 H6 L7 Q8 I91 V116 R119 V120 E123	V5-L64 HydrophobicContact CG1-CD1 3.74Å; H6-L64 PolarHBondContact O-N 3.25Å; L7-L64 HydrophobicContact CD2-CB 3.77Å; L7-L64 HydrophobicContact CD2-CD1 4.19Å; L7-L64 HydrophobicContact CD2-CD2 4.11Å; L7-L64 HydrophobicContact CD2-CG 4.26Å; Q8-L64 PolarHBondContact N-O 2.7Å; L64-I91 HydrophobicContact CD2-CD1 4.36Å; L64-V116 HydrophobicContact CD2-CG1 4.47Å; L64-R119 HydrophobicContact CD2-CB 3.54Å; L64-V120 HydrophobicContact CD2-CG2 3.66Å; L64-E123 HydrophobicContact CD1-CB 4.37Å; L64-E123 HydrophobicContact CD1-CG 3.89Å
65	L	95.3	Very high	89.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.2	179.7	-66.6	89.8	0	0	0	107.8	N14 A63 M73 V76 F85 N89 F90 I91	N14-L65 WeakPolarHBondContact OD1-CB 3.23Å; A63-L65 HydrophobicContact CB-CD1 4.39Å; L65-M73 HydrophobicContact CB-CE 4.33Å; L65-M73 HydrophobicContact CB-SD 3.96Å; L65-V76 HydrophobicContact CD2-CB 4.32Å; L65-V76 HydrophobicContact CD2-CG1 3.61Å; L65-V76 HydrophobicContact CD2-CG2 4.43Å; L65-F85 HydrophobicContact CD1-CB 4.34Å; L65-F85 HydrophobicContact CD1-CD1 3.74Å; L65-F85 HydrophobicContact CD1-CE1 4.16Å; L65-F85 HydrophobicContact CD1-CG 3.98Å; L65-N89 PolarHBondContact N-O 3.14Å; L65-F90 HydrophobicContact CB-CD1 4.31Å; L65-F90 HydrophobicContact CD2-CD1 4.38Å; L65-F90 HydrophobicContact CD2-CE1 3.91Å; L65-F90 HydrophobicContact CD2-CZ 4.49Å; L65-I91 PolarHBondContact O-N 2.67Å
66	V	95.1	Very high	89.8	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.4	-172.7	-173	0	0	0	0	109.2	Q8 I9 G10 N14 I91 L112 V116 M147	Q8-V66 PolarHBondContact O-N 3.39Å; I9-V66 WeakPolarHBondContact CA-O 3.39Å; I9-V66 HydrophobicContact CG1-CB 4.47Å; G10-V66 PolarHBondContact N-O 3.16Å; N14-V66 PolarHBondContact ND2-O 3.22Å; V66-I91 WeakPolarHBondContact CA-O 3.45Å; V66-I91 HydrophobicContact CG2-CB 4.43Å; V66-L112 HydrophobicContact CG1-CD2 4.36Å; V66-V116 HydrophobicContact CG1-CG2 3.74Å; V66-V116 HydrophobicContact CG2-CG1 3.8Å; V66-V116 HydrophobicContact CG2-CG2 3.91Å; V66-M147 HydrophobicContact CG1-CE 3.51Å; V66-M147 HydrophobicContact CG1-SD 3.84Å
67	D	95.2	Very high	90.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.2	167.4	-156.8	-16.4	0	0	0	110.3	Q11 E69 T72 M73 I91 H92 G93	Q11-D67 PolarHBondContact N-OD2 2.98Å; D67-E69 PolarHBondContact OD1-N 3.34Å; D67-T72 WeakPolarHBondContact OD2-CB 3.47Å; D67-T72 PolarHBondContact OD2-OG1 3.42Å; D67-M73 HydrophobicContact CB-CE 3.71Å; D67-I91 PolarHBondContact N-O 3.28Å; D67-H92 CarbonylContact O-C 3.54Å; D67-H92 WeakPolarHBondContact O-CA 3.35Å; D67-G93 PolarHBondContact O-N 2.91Å
68	L	92.1	Very high	90.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-77.6	-17.1	174.2	-72.8	173.2	0	0	0	111.2	G93 S95 A97 E108 L112 T143 M147	L68-G93 CarbonylContact O-C 3.44Å; L68-G93 WeakPolarHBondContact O-CA 3.24Å; L68-S95 WeakPolarHBondContact CB-O 3.46Å; L68-S95 CarbonylContact O-C 3.54Å; L68-S95 PolarHBondContact O-N 3.26Å; L68-S95 VanDerWaalsContact O-O 3.06Å; L68-A97 HydrophobicContact CD1-CB 3.93Å; L68-E108 HydrophobicContact CD1-CB 4.15Å; L68-E108 HydrophobicContact CD2-CB 4.22Å; L68-L112 HydrophobicContact CD2-CB 4.21Å; L68-L112 HydrophobicContact CD2-CD2 3.77Å; L68-T143 HydrophobicContact CB-CG2 4.06Å; L68-T143 HydrophobicContact CD1-CG2 3.91Å; L68-T143 HydrophobicContact CG-CG2 3.73Å; L68-M147 HydrophobicContact CD1-SD 4.43Å; L68-M147 HydrophobicContact CD2-SD 4.06Å; L68-M147 HydrophobicContact CG-SD 4.01Å
69	E	88.2	Confident	90.1	Very high	84 Å²	84	34.8 Å²	34.8	39%	0.393	21%	0.214	S	C	.	.	S	Bend	trans	-105.5	134.1	175.8	-63.4	-175.6	174.1	0	0	112.6	D67 G71 G96	D67-E69 PolarHBondContact OD1-N 3.34Å; E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 2.85Å; E69-G96 VanDerWaalsContact CG-CA 3.45Å
70	P	86.6	Confident	89.6	Confident	57 Å²	57	41.5 Å²	41.5	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-71.1	-26.4	-179.7	27.6	-34.4	0	0	0	113.3	T72 M73 D74	P70-T72 VanDerWaalsContact C-N 3.28Å; P70-T72 PolarHBondContact O-N 2.93Å; P70-M73 WeakPolarHBondContact O-CB 3.36Å; P70-M73 PolarHBondContact O-N 2.92Å; P70-D74 PolarHBondContact O-N 2.98Å
71	G	87.3	Confident	89.2	Confident	48 Å²	48	40.8 Å²	40.8	50%	0.495	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-32.7	-172.7	0	0	0	0	0	114.1	E69 M73 S75	E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 2.85Å; G71-M73 VanDerWaalsContact C-N 3.34Å; G71-S75 PolarHBondContact O-N 3.46Å
72	T	85.1	Confident	88.8	Confident	14 Å²	14	41 Å²	41	9%	0.086	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-40.4	175.2	-55.4	0	0	0	0	111.1	N14 D67 P70 S75 V76	N14-T72 HydrophobicContact CB-CG2 3.61Å; D67-T72 WeakPolarHBondContact OD2-CB 3.47Å; D67-T72 PolarHBondContact OD2-OG1 3.42Å; P70-T72 VanDerWaalsContact C-N 3.28Å; P70-T72 PolarHBondContact O-N 2.93Å; T72-S75 WeakPolarHBondContact O-CB 3.44Å; T72-S75 PolarHBondContact O-N 2.92Å; T72-V76 WeakPolarHBondContact O-CG2 3.28Å; T72-V76 PolarHBondContact O-N 3.41Å; T72-V76 VanDerWaalsContact O-N 3.08Å
73	M	85.4	Confident	88.3	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-39.8	-178.1	-61.9	-59.7	103.4	0	0	112	N14 L65 D67 P70 G71 S75 V76 R77 F90 H92	N14-M73 HydrophobicContact CB-CE 4.4Å; L65-M73 HydrophobicContact CB-CE 4.33Å; L65-M73 HydrophobicContact CB-SD 3.96Å; D67-M73 HydrophobicContact CB-CE 3.71Å; P70-M73 WeakPolarHBondContact O-CB 3.36Å; P70-M73 PolarHBondContact O-N 2.92Å; G71-M73 VanDerWaalsContact C-N 3.34Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 3.3Å; M73-V76 PolarHBondContact O-N 3.49Å; M73-R77 WeakPolarHBondContact O-CB 3.48Å; M73-R77 PolarHBondContact O-N 3.2Å; M73-F90 HydrophobicContact CB-CD1 4.36Å; M73-F90 HydrophobicContact SD-CD1 3.75Å; M73-H92 HydrophobicContact CG-CB 3.94Å
74	D	87	Confident	88	Confident	105 Å²	105	45 Å²	45	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-63	-38.8	176.7	-72.6	-28.6	0	0	0	111.6	P70 R77 G78	P70-D74 PolarHBondContact O-N 2.98Å; D74-R77 PolarHBondContact O-N 3.23Å; D74-G78 PolarHBondContact O-N 2.78Å
75	S	87.5	Confident	87.8	Confident	88 Å²	88	45.3 Å²	45.3	62%	0.615	27%	0.272	S	S	*	.	H	α-helix	trans	-63	-44.5	174.8	-173.9	0	0	0	0	111.9	G71 T72 M73 G78 S79	G71-S75 PolarHBondContact O-N 3.46Å; T72-S75 WeakPolarHBondContact O-CB 3.44Å; T72-S75 PolarHBondContact O-N 2.92Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 3.3Å; S75-G78 PolarHBondContact O-N 2.93Å; S75-S79 PolarHBondContact O-N 3.43Å; S75-S79 VanDerWaalsContact O-N 3.17Å
76	V	87	Confident	87.5	Confident	8 Å²	8	49.5 Å²	49.5	5%	0.048	29%	0.288	C	S	.	.	H	α-helix	trans	-68	-40.8	177.7	179.3	0	0	0	0	111.3	N14 S18 L65 T72 M73 G78 S79 G82 F85 F90	N14-V76 HydrophobicContact CB-CG2 4.36Å; S18-V76 WeakPolarHBondContact OG-CG1 3.47Å; L65-V76 HydrophobicContact CD2-CB 4.32Å; L65-V76 HydrophobicContact CD2-CG1 3.61Å; L65-V76 HydrophobicContact CD2-CG2 4.43Å; T72-V76 WeakPolarHBondContact O-CG2 3.28Å; T72-V76 PolarHBondContact O-N 3.41Å; T72-V76 VanDerWaalsContact O-N 3.08Å; M73-V76 PolarHBondContact O-N 3.49Å; V76-G78 VanDerWaalsContact C-N 3.34Å; V76-G78 PolarHBondContact O-N 3.35Å; V76-S79 WeakPolarHBondContact O-CB 3.3Å; V76-S79 PolarHBondContact O-N 2.73Å; V76-S79 VanDerWaalsContact O-N 3.09Å; V76-S79 PolarHBondContact O-OG 3.11Å; V76-G82 VanDerWaalsContact O-CA 3.23Å; V76-G82 WeakPolarHBondContact O-CA 3.39Å; V76-F85 HydrophobicContact CG1-CD2 4.35Å; V76-F85 HydrophobicContact CG1-CE2 4.18Å; V76-F90 HydrophobicContact CB-CE1 4.43Å; V76-F90 HydrophobicContact CG1-CE1 4.16Å
77	R	86.7	Confident	87.2	Confident	134 Å²	134	54 Å²	54	51%	0.506	32%	0.317	S	S	.	.	H	α-helix	trans	-66	-36	178	-169.6	-179.3	-67.5	178.2	-0.1	112.3	M73 D74 S79	M73-R77 WeakPolarHBondContact O-CB 3.48Å; M73-R77 PolarHBondContact O-N 3.2Å; D74-R77 PolarHBondContact O-N 3.23Å; R77-S79 PolarHBondContact O-N 2.95Å
78	G	84.8	Confident	86.9	Confident	72 Å²	72	58.2 Å²	58.2	74%	0.742	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-9.6	173.4	0	0	0	0	0	114.2	D74 S75 V76	D74-G78 PolarHBondContact O-N 2.78Å; S75-G78 PolarHBondContact O-N 2.93Å; V76-G78 VanDerWaalsContact C-N 3.34Å; V76-G78 PolarHBondContact O-N 3.35Å
79	S	85.3	Confident	86.9	Confident	43 Å²	43	58.3 Å²	58.3	30%	0.301	34%	0.34	S	S	.	.	S	Bend	trans	-73.8	164.6	178.3	84.1	0	0	0	0	112.2	S75 V76 R77 I81 G82	S75-S79 PolarHBondContact O-N 3.43Å; S75-S79 VanDerWaalsContact O-N 3.17Å; V76-S79 WeakPolarHBondContact O-CB 3.3Å; V76-S79 PolarHBondContact O-N 2.73Å; V76-S79 VanDerWaalsContact O-N 3.09Å; V76-S79 PolarHBondContact O-OG 3.11Å; R77-S79 PolarHBondContact O-N 2.95Å; S79-I81 PolarHBondContact O-N 3.5Å; S79-I81 VanDerWaalsContact O-N 3.16Å; S79-I81 PolarHBondContact OG-N 2.92Å; S79-G82 PolarHBondContact O-N 3.31Å; S79-G82 PolarHBondContact OG-N 3.12Å
80	R	81.9	Confident	87.1	Confident	177 Å²	177	55.2 Å²	55.2	67%	0.668	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.1	179	-173.9	179	-179	-155.1	-1.4	113.3	E26 A32	E26-R80 IonicContact OE1-NH1 2.78Å; A32-R80 HydrophobicContact CB-CG 4.34Å; A32-R80 VanDerWaalsContact CB-O 3.27Å; A32-R80 WeakPolarHBondContact CB-O 2.84Å
81	I	84.7	Confident	87.4	Confident	12 Å²	12	52.6 Å²	52.6	6%	0.062	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	4.8	-179	61.2	164.9	0	0	0	112.5	S18 W21 E22 S79 A83 L84 F85	S18-I81 WeakPolarHBondContact O-CD1 3.48Å; W21-I81 HydrophobicContact CB-CD1 3.9Å; E22-I81 HydrophobicContact CB-CD1 4.37Å; E22-I81 HydrophobicContact CB-CG2 4.39Å; S79-I81 PolarHBondContact O-N 3.5Å; S79-I81 VanDerWaalsContact O-N 3.16Å; S79-I81 PolarHBondContact OG-N 2.92Å; I81-A83 PolarHBondContact O-N 3.28Å; I81-L84 HydrophobicContact CB-CB 4.47Å; I81-L84 WeakPolarHBondContact O-CB 3.41Å; I81-L84 PolarHBondContact O-N 3.39Å; I81-F85 HydrophobicContact CD1-CE2 3.73Å; I81-F85 HydrophobicContact CD1-CZ 3.98Å; I81-F85 HydrophobicContact CG1-CE2 4Å; I81-F85 WeakPolarHBondContact O-CD2 3.23Å
82	G	84.1	Confident	87.7	Confident	5 Å²	5	54.3 Å²	54.3	5%	0.052	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.8	-177.3	0	0	0	0	0	113.2	V76 S79 L84	V76-G82 VanDerWaalsContact O-CA 3.23Å; V76-G82 WeakPolarHBondContact O-CA 3.39Å; S79-G82 PolarHBondContact O-N 3.31Å; S79-G82 PolarHBondContact OG-N 3.12Å; G82-L84 VanDerWaalsContact C-N 3.26Å; G82-L84 PolarHBondContact O-N 2.91Å
83	A	85.1	Confident	87.8	Confident	87 Å²	87	54.2 Å²	54.2	72%	0.719	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.7	177.1	0	0	0	0	0	114.3	I81	I81-A83 PolarHBondContact O-N 3.28Å
84	L	88.1	Confident	87.9	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-34	179.5	-174.6	64.9	0	0	0	111.1	S25 I30 G34 F51 Y59 P61 I81 G82	S25-L84 WeakPolarHBondContact OG-CD2 3.32Å; I30-L84 HydrophobicContact CG2-CD1 4.12Å; G34-L84 VanDerWaalsContact CA-CD1 3.46Å; F51-L84 HydrophobicContact CE1-CD2 4.49Å; Y59-L84 WeakPolarHBondContact O-CD1 3.25Å; P61-L84 VanDerWaalsContact CD-O 3.31Å; P61-L84 WeakPolarHBondContact CD-O 3.29Å; P61-L84 HydrophobicContact CG-CD2 3.69Å; P61-L84 HydrophobicContact CG-CG 3.65Å; I81-L84 HydrophobicContact CB-CB 4.47Å; I81-L84 WeakPolarHBondContact O-CB 3.41Å; I81-L84 PolarHBondContact O-N 3.39Å; G82-L84 VanDerWaalsContact C-N 3.26Å; G82-L84 PolarHBondContact O-N 2.91Å
85	F	90.6	Very high	87.8	Confident	6 Å²	6	58.6 Å²	58.6	3%	0.026	33%	0.331	C	S	.	.	S	Bend	trans	-76.1	147.6	-179.6	-63.1	-71.5	0	0	0	112.3	W21 P61 A63 L65 V76 I81 P87 F90	W21-F85 HydrophobicContact CB-CE1 4.33Å; W21-F85 HydrophobicContact CB-CZ 3.82Å; W21-F85 AromaticContact CD1-CE1 3.5Å; W21-F85 VanDerWaalsContact CD1-CE1 3.5Å; W21-F85 AromaticContact CD1-CZ 3.48Å; W21-F85 VanDerWaalsContact CD1-CZ 3.48Å; W21-F85 HydrophobicContact CD2-CE1 4.19Å; W21-F85 AromaticContact CG-CE1 3.75Å; W21-F85 HydrophobicContact CG-CE1 3.75Å; W21-F85 AromaticContact CG-CZ 3.68Å; W21-F85 HydrophobicContact CG-CZ 3.68Å; W21-F85 AromaticContact NE1-CE1 3.81Å; P61-F85 HydrophobicContact CB-CD1 3.94Å; P61-F85 HydrophobicContact CB-CE1 3.93Å; P61-F85 HydrophobicContact CG-CD1 4.11Å; P61-F85 HydrophobicContact CG-CE1 4.1Å; A63-F85 HydrophobicContact CB-CD1 4.02Å; A63-F85 HydrophobicContact CB-CE1 3.85Å; L65-F85 HydrophobicContact CD1-CB 4.34Å; L65-F85 HydrophobicContact CD1-CD1 3.74Å; L65-F85 HydrophobicContact CD1-CE1 4.16Å; L65-F85 HydrophobicContact CD1-CG 3.98Å; V76-F85 HydrophobicContact CG1-CD2 4.35Å; V76-F85 HydrophobicContact CG1-CE2 4.18Å; I81-F85 HydrophobicContact CD1-CE2 3.73Å; I81-F85 HydrophobicContact CD1-CZ 3.98Å; I81-F85 HydrophobicContact CG1-CE2 4Å; I81-F85 WeakPolarHBondContact O-CD2 3.23Å; F85-P87 WeakPolarHBondContact O-CD 3.31Å; F85-F90 HydrophobicContact CB-CE2 3.57Å; F85-F90 HydrophobicContact CB-CZ 3.66Å; F85-F90 HydrophobicContact CD2-CZ 4.25Å; F85-F90 HydrophobicContact CG-CZ 4.27Å
86	R	90.1	Very high	87.8	Confident	88 Å²	88	55.3 Å²	55.3	33%	0.332	31%	0.311	S	S	.	.			trans	-68	127.2	174.1	-172.1	179.2	-69.9	157	4	109.6	V60 D88 N89 F90 E123	V60-R86 HydrophobicContact CG1-CB 4.25Å; R86-D88 HydrophobicContact CG-CB 4.15Å; R86-D88 PolarHBondContact O-N 2.79Å; R86-N89 HydrophobicContact CB-CB 4.29Å; R86-N89 PolarHBondContact O-N 2.8Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.3Å; R86-E123 IonicContact CZ-OE1 3.33Å; R86-E123 IonicContact NH1-OE1 2.72Å; R86-E123 PolarHBondContact NH1-OE1 3.26Å
87	P	88.9	Confident	87.8	Confident	95 Å²	95	55 Å²	55	62%	0.617	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-55.4	-34.9	178.4	-28.4	36.2	0	0	0	113.9	F85 N89 F90	F85-P87 WeakPolarHBondContact O-CD 3.31Å; P87-N89 PolarHBondContact O-N 2.97Å; P87-F90 PolarHBondContact O-N 2.99Å
88	D	89.4	Confident	87.9	Confident	90 Å²	90	51.1 Å²	51.1	48%	0.481	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-69.2	-17.4	179.4	-59.7	-31.3	0	0	0	114	R86 F90	R86-D88 HydrophobicContact CG-CB 4.15Å; R86-D88 PolarHBondContact O-N 2.79Å; D88-F90 VanDerWaalsContact C-N 3.35Å
89	N	91.8	Very high	88.2	Confident	3 Å²	3	51 Å²	51	2%	0.016	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-93.5	2.7	-178.9	-65.2	10.5	0	0	0	112.1	A63 L65 R86 P87 E123	A63-N89 VanDerWaalsContact O-CB 3.29Å; A63-N89 WeakPolarHBondContact O-CB 3.28Å; A63-N89 PolarHBondContact O-ND2 2.99Å; L65-N89 PolarHBondContact N-O 3.14Å; R86-N89 HydrophobicContact CB-CB 4.29Å; R86-N89 PolarHBondContact O-N 2.8Å; P87-N89 PolarHBondContact O-N 2.97Å; N89-E123 PolarHBondContact ND2-OE1 3.13Å
90	F	92.5	Very high	88.6	Confident	19 Å²	19	49.3 Å²	49.3	8%	0.083	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.3	167.7	-69.5	-96.1	0	0	0	108.7	L65 M73 V76 F85 R86 P87 D88	L65-F90 HydrophobicContact CB-CD1 4.31Å; L65-F90 HydrophobicContact CD2-CD1 4.38Å; L65-F90 HydrophobicContact CD2-CE1 3.91Å; L65-F90 HydrophobicContact CD2-CZ 4.49Å; M73-F90 HydrophobicContact CB-CD1 4.36Å; M73-F90 HydrophobicContact SD-CD1 3.75Å; V76-F90 HydrophobicContact CB-CE1 4.43Å; V76-F90 HydrophobicContact CG1-CE1 4.16Å; F85-F90 HydrophobicContact CB-CE2 3.57Å; F85-F90 HydrophobicContact CB-CZ 3.66Å; F85-F90 HydrophobicContact CD2-CZ 4.25Å; F85-F90 HydrophobicContact CG-CZ 4.27Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.3Å; P87-F90 PolarHBondContact O-N 2.99Å; D88-F90 VanDerWaalsContact C-N 3.35Å
91	I	92.8	Very high	89.3	Confident	2 Å²	2	41 Å²	41	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.4	-178	-53.9	174	0	0	0	107.2	L64 L65 V66 D67 L112 H115 V116 R119	L64-I91 HydrophobicContact CD2-CD1 4.36Å; L65-I91 PolarHBondContact O-N 2.67Å; V66-I91 WeakPolarHBondContact CA-O 3.45Å; V66-I91 HydrophobicContact CG2-CB 4.43Å; D67-I91 PolarHBondContact N-O 3.28Å; I91-L112 HydrophobicContact CG2-CD1 3.69Å; I91-L112 HydrophobicContact CG2-CD2 4.22Å; I91-L112 HydrophobicContact CG2-CG 4.02Å; I91-H115 WeakPolarHBondContact CG2-ND1 3.49Å; I91-V116 HydrophobicContact CB-CG2 4.38Å; I91-V116 HydrophobicContact CD1-CB 4.21Å; I91-V116 HydrophobicContact CD1-CG1 4.38Å; I91-V116 HydrophobicContact CD1-CG2 3.93Å; I91-V116 HydrophobicContact CG2-CG2 3.8Å; I91-R119 HydrophobicContact CD1-CB 3.84Å; I91-R119 HydrophobicContact CD1-CG 3.63Å; I91-R119 HydrophobicContact CG1-CG 4.41Å
92	H	92.1	Very high	89.8	Confident	85 Å²	85	40.4 Å²	40.4	39%	0.394	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148	178.2	66.7	80.6	0	0	0	113.4	D67 M73	D67-H92 CarbonylContact O-C 3.54Å; D67-H92 WeakPolarHBondContact O-CA 3.35Å; M73-H92 HydrophobicContact CG-CB 3.94Å
93	G	89.2	Confident	90.2	Very high	11 Å²	11	43.2 Å²	43.2	11%	0.113	26%	0.258	C	S	.	.			trans	-80.2	-177.4	166	0	0	0	0	0	112.3	D67 L68	D67-G93 PolarHBondContact O-N 2.91Å; L68-G93 CarbonylContact O-C 3.44Å; L68-G93 WeakPolarHBondContact O-CA 3.24Å
94	N	86.1	Confident	90.7	Very high	157 Å²	157	39.1 Å²	39.1	84%	0.84	22%	0.223	S	C	*	.	S	Bend	trans	-108.4	-12.1	171	-65.6	-42.6	0	0	0	112.5
95	S	85.8	Confident	91	Very high	42 Å²	42	39.5 Å²	39.5	29%	0.294	23%	0.225	S	C	.	.	S	Bend	trans	-135.4	125.7	-169.1	-179.7	0	0	0	0	108.2	L68 E108	L68-S95 WeakPolarHBondContact CB-O 3.46Å; L68-S95 CarbonylContact O-C 3.54Å; L68-S95 PolarHBondContact O-N 3.26Å; L68-S95 VanDerWaalsContact O-O 3.06Å; S95-E108 VanDerWaalsContact CB-CD 3.46Å; S95-E108 VanDerWaalsContact CB-OE1 3.29Å; S95-E108 WeakPolarHBondContact CB-OE1 3.39Å; S95-E108 WeakPolarHBondContact CB-OE2 3.43Å; S95-E108 VanDerWaalsContact OG-CD 3.28Å; S95-E108 PolarHBondContact OG-OE1 2.97Å
96	G	86.2	Confident	91.1	Very high	20 Å²	20	43.7 Å²	43.7	21%	0.206	24%	0.241	C	C	.	.			trans	-80.5	153.5	-179.7	0	0	0	0	0	113	E69 G98	E69-G96 VanDerWaalsContact CG-CA 3.45Å; G96-G98 PolarHBondContact O-N 2.82Å
97	A	87.8	Confident	91.2	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	24%	0.238	C	C	.	.			trans	-70.3	-13.8	176.2	0	0	0	0	0	113.9	L68 N99 N100 K103	L68-A97 HydrophobicContact CD1-CB 3.93Å; A97-N99 VanDerWaalsContact C-N 3.33Å; A97-N99 PolarHBondContact O-N 2.81Å; A97-N100 WeakPolarHBondContact O-CB 3.14Å; A97-N100 PolarHBondContact O-N 2.85Å; A97-K103 HydrophobicContact CB-CB 4.28Å
98	G	88.8	Confident	91.3	Very high	52 Å²	52	39.6 Å²	39.6	54%	0.536	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	39.5	175.9	0	0	0	0	0	114.5	G96 N100	G96-G98 PolarHBondContact O-N 2.82Å; G98-N100 PolarHBondContact O-N 3.02Å
99	N	91.1	Very high	91.4	Very high	69 Å²	69	35.3 Å²	35.3	37%	0.369	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	26.4	-174.3	-63	-33.8	0	0	0	114.9	A97 T178 V180 N184	A97-N99 VanDerWaalsContact C-N 3.33Å; A97-N99 PolarHBondContact O-N 2.81Å; N99-T178 HydrophobicContact CB-CG2 3.97Å; N99-T178 PolarHBondContact ND2-OG1 2.72Å; N99-V180 HydrophobicContact CB-CG2 4.3Å; N99-V180 WeakPolarHBondContact O-CG2 3.49Å; N99-N184 PolarHBondContact O-ND2 3.43Å
100	N	93.8	Very high	91.4	Very high	7 Å²	7	37 Å²	37	4%	0.037	21%	0.212	C	C	.	.			trans	-110.1	115.7	175.3	-174.3	-18	0	0	0	110.4	A97 G98 A102 K103 G104 G142 W397 Y398	A97-N100 WeakPolarHBondContact O-CB 3.14Å; A97-N100 PolarHBondContact O-N 2.85Å; G98-N100 PolarHBondContact O-N 3.02Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 2.96Å; N100-A102 WeakPolarHBondContact OD1-CB 3.28Å; N100-A102 PolarHBondContact OD1-N 3.48Å; N100-K103 HydrophobicContact CB-CB 4.18Å; N100-K103 HydrophobicContact CB-CD 4.28Å; N100-K103 HydrophobicContact CB-CG 4.07Å; N100-K103 PolarHBondContact O-N 3.08Å; N100-G104 PolarHBondContact O-N 2.92Å; N100-G142 WeakPolarHBondContact O-CA 3.49Å; N100-W397 PolarHBondContact ND2-O 3.44Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.41Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.39Å
101	W	95.9	Very high	91.3	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-41.7	176.7	-177.4	98.4	0	0	0	112.5	K103 G104 H105 Y106 G146 N184 L187 S188 Q191 Y398 M403	W101-K103 VanDerWaalsContact C-N 3.28Å; W101-K103 PolarHBondContact O-N 3.36Å; W101-G104 CarbonylContact O-C 3.56Å; W101-G104 WeakPolarHBondContact O-CA 3.31Å; W101-G104 PolarHBondContact O-N 3.18Å; W101-H105 HydrophobicContact CD2-CB 4.16Å; W101-H105 HydrophobicContact CE3-CB 3.94Å; W101-H105 HydrophobicContact CH2-CB 3.77Å; W101-H105 AromaticContact CH2-CD2 3.52Å; W101-H105 AromaticContact CH2-CG 3.37Å; W101-H105 AromaticContact CH2-ND1 3.7Å; W101-H105 AromaticContact CH2-NE2 3.94Å; W101-H105 HydrophobicContact CZ2-CB 4Å; W101-H105 AromaticContact CZ2-CE1 3.94Å; W101-H105 AromaticContact CZ2-CG 3.61Å; W101-H105 AromaticContact CZ2-ND1 3.48Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.36Å; W101-H105 HydrophobicContact CZ3-CB 3.75Å; W101-H105 AromaticContact CZ3-CG 3.85Å; W101-H105 WeakPolarHBondContact O-CB 3.46Å; W101-H105 PolarHBondContact O-N 3.25Å; W101-Y106 HydrophobicContact CH2-CE2 4.46Å; W101-Y106 HydrophobicContact CZ3-CD2 4.4Å; W101-Y106 AromaticContact CZ3-CE2 3.81Å; W101-Y106 HydrophobicContact CZ3-CE2 3.81Å; W101-G146 VanDerWaalsContact CD1-N 3.29Å; W101-N184 HydrophobicContact CB-CB 4.18Å; W101-N184 WeakPolarHBondContact CB-OD1 3.41Å; W101-N184 PolarHBondContact N-OD1 2.63Å; W101-L187 HydrophobicContact CB-CD1 4.25Å; W101-L187 HydrophobicContact CD2-CB 3.85Å; W101-L187 HydrophobicContact CD2-CD1 3.88Å; W101-L187 HydrophobicContact CE3-CB 4.28Å; W101-L187 HydrophobicContact CE3-CD1 3.7Å; W101-L187 HydrophobicContact CG-CB 4.13Å; W101-L187 HydrophobicContact CG-CD1 4.12Å; W101-L187 HydrophobicContact CZ2-CB 4.26Å; W101-L187 HydrophobicContact CZ3-CD1 4.36Å; W101-S188 VanDerWaalsContact CD1-OG 3.3Å; W101-S188 PolarHBondContact NE1-OG 2.97Å; W101-Q191 HydrophobicContact CZ2-CG 4.18Å; W101-Y398 HydrophobicContact CB-CE1 4.07Å; W101-M403 HydrophobicContact CE3-CE 4.49Å; W101-M403 HydrophobicContact CE3-SD 4.19Å; W101-M403 HydrophobicContact CZ3-CE 4.14Å; W101-M403 HydrophobicContact CZ3-SD 4.12Å
102	A	94.9	Very high	91.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-34.6	-178.3	0	0	0	0	0	111.9	N100 H105 Y106 Y398 E401 M403	N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 2.96Å; N100-A102 WeakPolarHBondContact OD1-CB 3.28Å; N100-A102 PolarHBondContact OD1-N 3.48Å; A102-H105 PolarHBondContact O-N 2.98Å; A102-Y106 HydrophobicContact CB-CD2 4.29Å; A102-Y106 WeakPolarHBondContact O-CB 3.39Å; A102-Y106 PolarHBondContact O-N 3.36Å; A102-Y398 HydrophobicContact CB-CD1 3.95Å; A102-Y398 HydrophobicContact CB-CG 4.5Å; A102-E401 HydrophobicContact CB-CB 3.85Å; A102-E401 HydrophobicContact CB-CG 4.34Å; A102-M403 HydrophobicContact CB-CB 4.31Å; A102-M403 HydrophobicContact CB-SD 4.25Å
103	K	94.1	Very high	91.4	Very high	64 Å²	64	40.9 Å²	40.9	28%	0.278	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-44.2	171.5	-75.8	-168.1	167.7	-166.5	0	112.9	A97 N100 W101 H105 T107 E108 G109 E401	A97-K103 HydrophobicContact CB-CB 4.28Å; N100-K103 HydrophobicContact CB-CB 4.18Å; N100-K103 HydrophobicContact CB-CD 4.28Å; N100-K103 HydrophobicContact CB-CG 4.07Å; N100-K103 PolarHBondContact O-N 3.08Å; W101-K103 VanDerWaalsContact C-N 3.28Å; W101-K103 PolarHBondContact O-N 3.36Å; K103-H105 VanDerWaalsContact C-N 3.28Å; K103-H105 PolarHBondContact O-N 2.82Å; K103-T107 WeakPolarHBondContact CA-OG1 3.12Å; K103-T107 PolarHBondContact O-N 3.03Å; K103-T107 PolarHBondContact O-OG1 3.48Å; K103-E108 PolarHBondContact O-N 3.33Å; K103-G109 PolarHBondContact O-N 3.36Å; K103-E401 VanDerWaalsContact CE-CD 3.42Å; K103-E401 WeakPolarHBondContact CE-OE1 3.42Å; K103-E401 VanDerWaalsContact CG-CD 3.41Å; K103-E401 HydrophobicContact CG-CG 3.68Å; K103-E401 WeakPolarHBondContact CG-OE2 3.38Å; K103-E401 IonicContact NZ-OE1 2.98Å
104	G	93.9	Very high	91.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-31.3	176.6	0	0	0	0	0	112.8	N100 W101 G109 G146 M147	N100-G104 PolarHBondContact O-N 2.92Å; W101-G104 CarbonylContact O-C 3.56Å; W101-G104 WeakPolarHBondContact O-CA 3.31Å; W101-G104 PolarHBondContact O-N 3.18Å; G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 3.24Å; G104-G146 CarbonylContact O-C 3.31Å; G104-M147 WeakPolarHBondContact O-CA 3.37Å; G104-M147 WeakPolarHBondContact O-CB 3.45Å; G104-M147 PolarHBondContact O-N 2.97Å
105	H	94.7	Very high	91.9	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.069	24%	0.238	C	C	.	.	H	α-helix	trans	-95	-41.2	-172.9	-159.8	82.1	0	0	0	113.9	W101 A102 K103 G146 T149 L150	W101-H105 HydrophobicContact CD2-CB 4.16Å; W101-H105 HydrophobicContact CE3-CB 3.94Å; W101-H105 HydrophobicContact CH2-CB 3.77Å; W101-H105 AromaticContact CH2-CD2 3.52Å; W101-H105 AromaticContact CH2-CG 3.37Å; W101-H105 AromaticContact CH2-ND1 3.7Å; W101-H105 AromaticContact CH2-NE2 3.94Å; W101-H105 HydrophobicContact CZ2-CB 4Å; W101-H105 AromaticContact CZ2-CE1 3.94Å; W101-H105 AromaticContact CZ2-CG 3.61Å; W101-H105 AromaticContact CZ2-ND1 3.48Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.36Å; W101-H105 HydrophobicContact CZ3-CB 3.75Å; W101-H105 AromaticContact CZ3-CG 3.85Å; W101-H105 WeakPolarHBondContact O-CB 3.46Å; W101-H105 PolarHBondContact O-N 3.25Å; A102-H105 PolarHBondContact O-N 2.98Å; K103-H105 VanDerWaalsContact C-N 3.28Å; K103-H105 PolarHBondContact O-N 2.82Å; H105-G146 PolarHBondContact ND1-O 2.86Å; H105-T149 PolarHBondContact ND1-OG1 3.03Å; H105-L150 WeakPolarHBondContact O-CD2 3.43Å
106	Y	93.4	Very high	92.3	Very high	93 Å²	93	41.9 Å²	41.9	37%	0.365	22%	0.224	S	C	.	.	H	α-helix	trans	-109.1	-28.6	-169.8	-67.6	-60.5	0	0	0	114.7	W101 A102 M403 E407	W101-Y106 HydrophobicContact CH2-CE2 4.46Å; W101-Y106 HydrophobicContact CZ3-CD2 4.4Å; W101-Y106 AromaticContact CZ3-CE2 3.81Å; W101-Y106 HydrophobicContact CZ3-CE2 3.81Å; A102-Y106 HydrophobicContact CB-CD2 4.29Å; A102-Y106 WeakPolarHBondContact O-CB 3.39Å; A102-Y106 PolarHBondContact O-N 3.36Å; Y106-M403 HydrophobicContact CD2-CB 4.38Å; Y106-M403 HydrophobicContact CE2-CB 4.09Å; Y106-M403 HydrophobicContact CE2-CG 4.07Å; Y106-E407 PolarHBondContact OH-OE2 3.47Å
107	T	92.3	Very high	92.8	Very high	42 Å²	42	41.1 Å²	41.1	26%	0.258	22%	0.215	S	C	.	.	S	Bend	trans	-111.7	-94.2	-174.4	61.1	0	0	0	0	112.1	K103 G109 A110 E111 E401	K103-T107 WeakPolarHBondContact CA-OG1 3.12Å; K103-T107 PolarHBondContact O-N 3.03Å; K103-T107 PolarHBondContact O-OG1 3.48Å; T107-G109 PolarHBondContact O-N 3.48Å; T107-A110 PolarHBondContact O-N 2.92Å; T107-A110 VanDerWaalsContact O-N 3.13Å; T107-E111 PolarHBondContact O-N 2.82Å; T107-E401 HydrophobicContact CG2-CB 4.25Å; T107-E401 VanDerWaalsContact CG2-OE2 3.25Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.45Å; T107-E401 PolarHBondContact OG1-OE2 3.47Å
108	E	91.4	Very high	93.1	Very high	56 Å²	56	44.7 Å²	44.7	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-41.1	-173.1	-61.7	-74.3	-176.8	0	0	112.9	L68 S95 K103 E111 L112	L68-E108 HydrophobicContact CD1-CB 4.15Å; L68-E108 HydrophobicContact CD2-CB 4.22Å; S95-E108 VanDerWaalsContact CB-CD 3.46Å; S95-E108 VanDerWaalsContact CB-OE1 3.29Å; S95-E108 WeakPolarHBondContact CB-OE1 3.39Å; S95-E108 WeakPolarHBondContact CB-OE2 3.43Å; S95-E108 VanDerWaalsContact OG-CD 3.28Å; S95-E108 PolarHBondContact OG-OE1 2.97Å; K103-E108 PolarHBondContact O-N 3.33Å; E108-E111 PolarHBondContact O-N 2.86Å; E108-L112 PolarHBondContact O-N 2.8Å
109	G	90.8	Very high	93.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-73.1	-28.5	178.6	0	0	0	0	0	113.7	K103 G104 T107 E111 L112 V113	K103-G109 PolarHBondContact O-N 3.36Å; G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 3.24Å; T107-G109 PolarHBondContact O-N 3.48Å; G109-E111 VanDerWaalsContact C-N 3.34Å; G109-L112 PolarHBondContact O-N 3.35Å; G109-V113 WeakPolarHBondContact O-CB 3.4Å; G109-V113 PolarHBondContact O-N 3.24Å
110	A	91.8	Very high	93.5	Very high	37 Å²	37	42.2 Å²	42.2	31%	0.306	20%	0.203	S	C	.	.	H	α-helix	trans	-69.9	-31.4	175.7	0	0	0	0	0	112.1	T107 V113 L150	T107-A110 PolarHBondContact O-N 2.92Å; T107-A110 VanDerWaalsContact O-N 3.13Å; A110-V113 WeakPolarHBondContact O-CG1 3.49Å; A110-L150 HydrophobicContact CB-CD2 4.23Å
111	E	91.6	Very high	93.5	Very high	157 Å²	157	46.2 Å²	46.2	73%	0.734	22%	0.217	S	C	*	.	H	α-helix	trans	-69.2	-36.5	172.8	-65	-173	178.4	0	0	112.1	T107 E108 G109	T107-E111 PolarHBondContact O-N 2.82Å; E108-E111 PolarHBondContact O-N 2.86Å; G109-E111 VanDerWaalsContact C-N 3.34Å
112	L	93.2	Very high	93.4	Very high	22 Å²	22	50 Å²	50	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-85.4	-25	-176.6	-168.3	61.6	0	0	0	113.4	V66 L68 I91 E108 G109 E114 H115 V116 M147	V66-L112 HydrophobicContact CG1-CD2 4.36Å; L68-L112 HydrophobicContact CD2-CB 4.21Å; L68-L112 HydrophobicContact CD2-CD2 3.77Å; I91-L112 HydrophobicContact CG2-CD1 3.69Å; I91-L112 HydrophobicContact CG2-CD2 4.22Å; I91-L112 HydrophobicContact CG2-CG 4.02Å; E108-L112 PolarHBondContact O-N 2.8Å; G109-L112 PolarHBondContact O-N 3.35Å; L112-E114 VanDerWaalsContact C-N 3.3Å; L112-E114 PolarHBondContact O-N 2.61Å; L112-H115 PolarHBondContact O-N 3.01Å; L112-V116 HydrophobicContact CG-CG2 4.32Å; L112-V116 PolarHBondContact O-N 3.23Å; L112-M147 HydrophobicContact CB-CE 3.79Å; L112-M147 HydrophobicContact CD2-CE 3.82Å; L112-M147 HydrophobicContact CD2-SD 4.32Å; L112-M147 HydrophobicContact CG-CE 3.82Å
113	V	93.7	Very high	93.3	Very high	10 Å²	10	50.1 Å²	50.1	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-35.9	-171.9	76.6	0	0	0	0	112.9	G109 A110 H115 V116 M117 L150 L151 K154	G109-V113 WeakPolarHBondContact O-CB 3.4Å; G109-V113 PolarHBondContact O-N 3.24Å; A110-V113 WeakPolarHBondContact O-CG1 3.49Å; V113-H115 PolarHBondContact O-N 2.99Å; V113-V116 PolarHBondContact O-N 2.74Å; V113-M117 HydrophobicContact CG2-CG 4.33Å; V113-M117 WeakPolarHBondContact O-CB 3.37Å; V113-M117 WeakPolarHBondContact O-CG 3.32Å; V113-M117 PolarHBondContact O-N 3.19Å; V113-L150 HydrophobicContact CB-CD2 3.97Å; V113-L150 HydrophobicContact CG1-CD2 3.98Å; V113-L150 HydrophobicContact CG2-CD2 4.15Å; V113-L150 HydrophobicContact CG2-CG 4.26Å; V113-L151 HydrophobicContact CG2-CD1 3.8Å; V113-K154 HydrophobicContact CG2-CG 4.41Å
114	E	91.8	Very high	93.2	Very high	148 Å²	148	47.7 Å²	47.7	69%	0.692	23%	0.229	S	C	*	.	H	α-helix	trans	-61.7	-44.7	179.8	-65.3	-170.1	161.3	0	0	111.3	L112 V116 M117 D118	L112-E114 VanDerWaalsContact C-N 3.3Å; L112-E114 PolarHBondContact O-N 2.61Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.92Å; E114-M117 PolarHBondContact O-N 3.27Å; E114-D118 PolarHBondContact O-N 3.06Å
115	H	93	Very high	93.2	Very high	82 Å²	82	55 Å²	55	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-66.4	-35.8	177	-178.4	-112.5	0	0	0	112	I91 L112 V113 R119	I91-H115 WeakPolarHBondContact CG2-ND1 3.49Å; L112-H115 PolarHBondContact O-N 3.01Å; V113-H115 PolarHBondContact O-N 2.99Å; H115-R119 WeakPolarHBondContact O-CG 3.22Å; H115-R119 PolarHBondContact O-N 2.91Å
116	V	94.8	Very high	92.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-46.6	173.2	-178.8	0	0	0	0	110.6	L64 V66 I91 L112 V113 E114 D118 R119 V120 M147 L151	L64-V116 HydrophobicContact CD2-CG1 4.47Å; V66-V116 HydrophobicContact CG1-CG2 3.74Å; V66-V116 HydrophobicContact CG2-CG1 3.8Å; V66-V116 HydrophobicContact CG2-CG2 3.91Å; I91-V116 HydrophobicContact CB-CG2 4.38Å; I91-V116 HydrophobicContact CD1-CB 4.21Å; I91-V116 HydrophobicContact CD1-CG1 4.38Å; I91-V116 HydrophobicContact CD1-CG2 3.93Å; I91-V116 HydrophobicContact CG2-CG2 3.8Å; L112-V116 HydrophobicContact CG-CG2 4.32Å; L112-V116 PolarHBondContact O-N 3.23Å; V113-V116 PolarHBondContact O-N 2.74Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.92Å; V116-D118 VanDerWaalsContact C-N 3.31Å; V116-D118 PolarHBondContact O-N 2.88Å; V116-R119 PolarHBondContact O-N 3.22Å; V116-V120 HydrophobicContact CG1-CG2 4.26Å; V116-V120 WeakPolarHBondContact O-CG2 3.2Å; V116-V120 PolarHBondContact O-N 2.96Å; V116-M147 HydrophobicContact CG2-CE 3.76Å; V116-L151 HydrophobicContact CB-CD1 4.12Å; V116-L151 HydrophobicContact CG1-CD1 3.62Å; V116-L151 HydrophobicContact CG1-CD2 4.03Å
117	M	95.2	Very high	92.8	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-38	179.5	-75.5	-59.3	-66.5	0	0	112.4	V113 E114 R119 V120 R121 L151 K154 I155 D158	V113-M117 HydrophobicContact CG2-CG 4.33Å; V113-M117 WeakPolarHBondContact O-CB 3.37Å; V113-M117 WeakPolarHBondContact O-CG 3.32Å; V113-M117 PolarHBondContact O-N 3.19Å; E114-M117 PolarHBondContact O-N 3.27Å; M117-R119 VanDerWaalsContact C-N 3.31Å; M117-R119 PolarHBondContact O-N 2.71Å; M117-V120 WeakPolarHBondContact O-CB 2.89Å; M117-V120 PolarHBondContact O-N 2.68Å; M117-R121 VanDerWaalsContact O-CG 3.31Å; M117-R121 WeakPolarHBondContact O-CG 3.34Å; M117-R121 PolarHBondContact O-N 3.2Å; M117-L151 HydrophobicContact CG-CD1 4.12Å; M117-L151 HydrophobicContact SD-CD1 3.7Å; M117-K154 HydrophobicContact CE-CB 4.21Å; M117-K154 HydrophobicContact CG-CB 4.23Å; M117-K154 HydrophobicContact SD-CB 3.96Å; M117-I155 HydrophobicContact CE-CG1 4.06Å; M117-I155 HydrophobicContact SD-CG1 3.64Å; M117-D158 HydrophobicContact CE-CB 4.11Å; M117-D158 WeakPolarHBondContact CE-OD2 3.42Å
118	D	94.4	Very high	92.7	Very high	77 Å²	77	57.3 Å²	57.3	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-38.3	174	-74.8	-15.5	0	0	0	112.3	E114 V116 R121 N122	E114-D118 PolarHBondContact O-N 3.06Å; V116-D118 VanDerWaalsContact C-N 3.31Å; V116-D118 PolarHBondContact O-N 2.88Å; D118-R121 PolarHBondContact O-N 2.85Å; D118-R121 IonicContact OD1-NH1 3.9Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; D118-N122 PolarHBondContact O-N 3.09Å; D118-N122 PolarHBondContact O-ND2 3.17Å
119	R	93.8	Very high	92.6	Very high	69 Å²	69	57.6 Å²	57.6	26%	0.26	30%	0.295	S	S	.	.	H	α-helix	trans	-70.9	-37.1	173.8	-64	-60	-176.4	168.9	6.2	112.3	L64 I91 H115 V116 M117 R121 N122 E123	L64-R119 HydrophobicContact CD2-CB 3.54Å; I91-R119 HydrophobicContact CD1-CB 3.84Å; I91-R119 HydrophobicContact CD1-CG 3.63Å; I91-R119 HydrophobicContact CG1-CG 4.41Å; H115-R119 WeakPolarHBondContact O-CG 3.22Å; H115-R119 PolarHBondContact O-N 2.91Å; V116-R119 PolarHBondContact O-N 3.22Å; M117-R119 VanDerWaalsContact C-N 3.31Å; M117-R119 PolarHBondContact O-N 2.71Å; R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.35Å; R119-N122 PolarHBondContact O-N 2.76Å; R119-E123 PolarHBondContact O-N 3.18Å
120	V	94.9	Very high	92.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-44.4	173.3	173.8	0	0	0	0	110	L7 L64 V116 M117 E123 S124 F133 I155 Y159	L7-V120 HydrophobicContact CD2-CG2 3.74Å; L64-V120 HydrophobicContact CD2-CG2 3.66Å; V116-V120 HydrophobicContact CG1-CG2 4.26Å; V116-V120 WeakPolarHBondContact O-CG2 3.2Å; V116-V120 PolarHBondContact O-N 2.96Å; M117-V120 WeakPolarHBondContact O-CB 2.89Å; M117-V120 PolarHBondContact O-N 2.68Å; V120-E123 PolarHBondContact O-N 3.39Å; V120-S124 VanDerWaalsContact O-CB 3.29Å; V120-S124 WeakPolarHBondContact O-CB 3.4Å; V120-S124 PolarHBondContact O-N 3.44Å; V120-S124 PolarHBondContact O-OG 2.78Å; V120-F133 HydrophobicContact CG1-CD1 4.26Å; V120-F133 HydrophobicContact CG1-CE1 3.47Å; V120-F133 VanDerWaalsContact CG1-CE1 3.47Å; V120-F133 HydrophobicContact CG1-CZ 4.03Å; V120-I155 HydrophobicContact CG1-CD1 4.41Å; V120-I155 HydrophobicContact CG1-CG1 4.46Å; V120-Y159 HydrophobicContact CG1-CE2 4.45Å
121	R	94.9	Very high	92.6	Very high	90 Å²	90	57.6 Å²	57.6	34%	0.34	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-49.2	175.8	-71.9	170	-169.7	149.1	-2.2	111.8	M117 D118 R119 E123 S124 E125 D158 Y159	M117-R121 VanDerWaalsContact O-CG 3.31Å; M117-R121 WeakPolarHBondContact O-CG 3.34Å; M117-R121 PolarHBondContact O-N 3.2Å; D118-R121 PolarHBondContact O-N 2.85Å; D118-R121 IonicContact OD1-NH1 3.9Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.35Å; R121-E123 VanDerWaalsContact C-N 3.33Å; R121-E123 PolarHBondContact O-N 2.7Å; R121-S124 PolarHBondContact O-N 3.46Å; R121-E125 WeakPolarHBondContact O-CB 3.27Å; R121-E125 WeakPolarHBondContact O-CG 3.38Å; R121-E125 PolarHBondContact O-N 2.93Å; R121-D158 IonicContact CZ-OD2 2.96Å; R121-D158 IonicContact NE-OD2 3.35Å; R121-D158 PolarHBondContact NE-OD2 3.43Å; R121-D158 IonicContact NH2-OD2 3.47Å; R121-D158 PolarHBondContact NH2-OD2 3.07Å; R121-Y159 WeakPolarHBondContact CG-OH 3.01Å
122	N	93.5	Very high	92.7	Very high	84 Å²	84	50.1 Å²	50.1	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-56.1	-44.4	176.9	-74.8	-53.2	0	0	0	112.7	D118 R119 S126	D118-N122 PolarHBondContact O-N 3.09Å; D118-N122 PolarHBondContact O-ND2 3.17Å; R119-N122 PolarHBondContact O-N 2.76Å; N122-S126 PolarHBondContact O-N 3.36Å
123	E	92.4	Very high	92.8	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-69.5	-35.4	176.5	-72.6	-63.1	156.5	0	0	112.1	V5 N52 R62 L64 R86 N89 R119 V120 R121 S126 C127	V5-E123 HydrophobicContact CG2-CB 4.24Å; N52-E123 PolarHBondContact ND2-OE2 3.31Å; N52-E123 VanDerWaalsContact ND2-OE2 3.1Å; R62-E123 HydrophobicContact CG-CB 4.44Å; R62-E123 PolarHBondContact NH1-O 3.13Å; R62-E123 VanDerWaalsContact NH1-O 3.15Å; R62-E123 IonicContact NH1-OE2 3.16Å; R62-E123 PolarHBondContact NH1-OE2 2.77Å; R62-E123 VanDerWaalsContact NH1-OE2 3.16Å; L64-E123 HydrophobicContact CD1-CB 4.37Å; L64-E123 HydrophobicContact CD1-CG 3.89Å; R86-E123 IonicContact CZ-OE1 3.33Å; R86-E123 IonicContact NH1-OE1 2.72Å; R86-E123 PolarHBondContact NH1-OE1 3.26Å; N89-E123 PolarHBondContact ND2-OE1 3.13Å; R119-E123 PolarHBondContact O-N 3.18Å; V120-E123 PolarHBondContact O-N 3.39Å; R121-E123 VanDerWaalsContact C-N 3.33Å; R121-E123 PolarHBondContact O-N 2.7Å; E123-S126 PolarHBondContact O-N 2.9Å; E123-S126 PolarHBondContact O-OG 3.32Å; E123-C127 PolarHBondContact O-SG 2.94Å
124	S	92.4	Very high	92.9	Very high	12 Å²	12	49 Å²	49	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-69.7	-40.2	179.5	-57.9	0	0	0	0	112.1	V120 R121 S126 C127	V120-S124 VanDerWaalsContact O-CB 3.29Å; V120-S124 WeakPolarHBondContact O-CB 3.4Å; V120-S124 PolarHBondContact O-N 3.44Å; V120-S124 PolarHBondContact O-OG 2.78Å; R121-S124 PolarHBondContact O-N 3.46Å; S124-S126 VanDerWaalsContact C-N 3.25Å; S124-S126 PolarHBondContact O-N 2.81Å; S124-C127 WeakPolarHBondContact O-CB 3.31Å; S124-C127 PolarHBondContact O-N 3.04Å; S124-C127 VanDerWaalsContact O-N 3.13Å
125	E	92.4	Very high	93.1	Very high	155 Å²	155	41.9 Å²	41.9	72%	0.724	21%	0.214	S	C	*	.	H	α-helix	trans	-66.7	-26.4	174.8	-72.9	-178.4	179.4	0	0	112.8	R121 C127	R121-E125 WeakPolarHBondContact O-CB 3.27Å; R121-E125 WeakPolarHBondContact O-CG 3.38Å; R121-E125 PolarHBondContact O-N 2.93Å; E125-C127 PolarHBondContact O-N 2.88Å
126	S	89.3	Confident	93.3	Very high	58 Å²	58	38 Å²	38	41%	0.406	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.9	174.1	75.5	0	0	0	0	114.1	R62 N122 E123 S124	R62-S126 PolarHBondContact NH1-OG 2.77Å; N122-S126 PolarHBondContact O-N 3.36Å; E123-S126 PolarHBondContact O-N 2.9Å; E123-S126 PolarHBondContact O-OG 3.32Å; S124-S126 VanDerWaalsContact C-N 3.25Å; S124-S126 PolarHBondContact O-N 2.81Å
127	C	91.1	Very high	93.4	Very high	17 Å²	17	38 Å²	38	12%	0.115	20%	0.196	C	C	.	.			trans	-90.8	138.9	175.9	-58.3	0	0	0	0	111	E3 E123 S124 E125 L130	E3-C127 HydrophobicContact CB-CB 3.93Å; E3-C127 HydrophobicContact CG-CB 4.04Å; E123-C127 PolarHBondContact O-SG 2.94Å; S124-C127 WeakPolarHBondContact O-CB 3.31Å; S124-C127 PolarHBondContact O-N 3.04Å; S124-C127 VanDerWaalsContact O-N 3.13Å; E125-C127 PolarHBondContact O-N 2.88Å; C127-L130 HydrophobicContact CB-CB 4.21Å
128	D	90.4	Very high	93.3	Very high	123 Å²	123	38.7 Å²	38.7	66%	0.658	20%	0.201	S	C	*	.	S	Bend	trans	-69.4	-42.2	171.7	-71.3	-21.2	0	0	0	111.6	M1 E3	M1-D128 WeakPolarHBondContact CE-OD2 3.46Å; E3-D128 PolarHBondContact OE2-N 3.23Å
129	C	90.1	Very high	93.3	Very high	62 Å²	62	35 Å²	35	42%	0.419	18%	0.182	S	C	.	.	S	Bend	trans	-154.5	89	176.7	-175.6	0	0	0	0	110.9	M1 R2 E3 Q131	M1-C129 WeakPolarHBondContact O-CB 3.38Å; R2-C129 WeakPolarHBondContact CA-O 3.34Å; E3-C129 PolarHBondContact N-O 3.05Å; E3-C129 WeakPolarHBondContact OE2-CA 3.44Å; E3-C129 PolarHBondContact OE2-N 3.46Å; C129-Q131 PolarHBondContact O-N 3.42Å
130	L	92.3	Very high	93.1	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.052	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	122.4	177.6	-177.9	66.5	0	0	0	111.9	V5 C127 F133 Y159 R162	V5-L130 HydrophobicContact CB-CD1 4.44Å; V5-L130 HydrophobicContact CG2-CD1 3.71Å; C127-L130 HydrophobicContact CB-CB 4.21Å; L130-F133 HydrophobicContact CD2-CE1 4.23Å; L130-F133 HydrophobicContact CD2-CE2 4.01Å; L130-F133 HydrophobicContact CD2-CZ 3.62Å; L130-Y159 HydrophobicContact CD2-CD1 4.49Å; L130-R162 HydrophobicContact CD2-CG 4.29Å; L130-R162 WeakPolarHBondContact O-CD 3.31Å; L130-R162 PolarHBondContact O-NH1 3.47Å
131	Q	89.8	Confident	92.9	Very high	27 Å²	27	32.4 Å²	32.4	13%	0.126	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-44	171.3	-64.8	-168	59.7	0	0	111.5	R2 E3 I4 C129 I163 L250	R2-Q131 HydrophobicContact CB-CG 3.54Å; R2-Q131 VanDerWaalsContact CB-NE2 3.25Å; R2-Q131 HydrophobicContact CG-CG 4.18Å; R2-Q131 PolarHBondContact O-NE2 3.37Å; E3-Q131 WeakPolarHBondContact O-CB 3.31Å; E3-Q131 PolarHBondContact O-N 3.34Å; I4-Q131 HydrophobicContact CG1-CB 4.19Å; C129-Q131 PolarHBondContact O-N 3.42Å; Q131-I163 PolarHBondContact O-N 2.77Å; Q131-L250 HydrophobicContact CB-CD1 4.16Å
132	G	93	Very high	92.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-172.2	-165.6	0	0	0	0	0	113.6	V5 I163	V5-G132 PolarHBondContact N-O 3.2Å; G132-I163 CarbonylContact C-O 3.51Å; G132-I163 WeakPolarHBondContact CA-O 3.38Å
133	F	95.8	Very high	92.8	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.7	-177.5	-58.6	-84.9	0	0	0	109.8	V5 L7 V120 L130 I155 Y159 R162 I163 M164 N165	V5-F133 HydrophobicContact CB-CD1 3.7Å; V5-F133 HydrophobicContact CB-CE1 3.9Å; V5-F133 HydrophobicContact CG1-CD1 3.99Å; V5-F133 HydrophobicContact CG1-CE1 4.18Å; V5-F133 HydrophobicContact CG2-CD1 4.48Å; V5-F133 HydrophobicContact CG2-CE1 4.21Å; V5-F133 WeakPolarHBondContact O-CA 2.84Å; L7-F133 HydrophobicContact CD1-CB 4.26Å; L7-F133 HydrophobicContact CD1-CD1 4.15Å; V120-F133 HydrophobicContact CG1-CD1 4.26Å; V120-F133 HydrophobicContact CG1-CE1 3.47Å; V120-F133 VanDerWaalsContact CG1-CE1 3.47Å; V120-F133 HydrophobicContact CG1-CZ 4.03Å; L130-F133 HydrophobicContact CD2-CE1 4.23Å; L130-F133 HydrophobicContact CD2-CE2 4.01Å; L130-F133 HydrophobicContact CD2-CZ 3.62Å; F133-I155 HydrophobicContact CD1-CD1 4.37Å; F133-I155 HydrophobicContact CD1-CG2 4.37Å; F133-I155 HydrophobicContact CD2-CG2 3.3Å; F133-I155 HydrophobicContact CE1-CG2 4.39Å; F133-I155 HydrophobicContact CE2-CG2 3.28Å; F133-I155 HydrophobicContact CG-CD1 4.46Å; F133-I155 HydrophobicContact CG-CG2 3.86Å; F133-I155 HydrophobicContact CZ-CG2 3.86Å; F133-Y159 AromaticContact CE2-CD2 3.94Å; F133-Y159 HydrophobicContact CE2-CD2 3.94Å; F133-Y159 AromaticContact CE2-CG 3.87Å; F133-Y159 HydrophobicContact CE2-CG 3.87Å; F133-Y159 HydrophobicContact CZ-CD1 4.37Å; F133-Y159 AromaticContact CZ-CD2 3.76Å; F133-Y159 HydrophobicContact CZ-CD2 3.76Å; F133-Y159 HydrophobicContact CZ-CE2 4.01Å; F133-Y159 AromaticContact CZ-CG 3.95Å; F133-Y159 HydrophobicContact CZ-CG 3.95Å; F133-R162 HydrophobicContact CD2-CB 4.49Å; F133-R162 HydrophobicContact CE2-CB 4.2Å; F133-I163 PolarHBondContact N-O 3.2Å; F133-M164 HydrophobicContact CB-CE 3.85Å; F133-M164 HydrophobicContact CB-SD 3.9Å; F133-M164 HydrophobicContact CD2-CE 4.13Å; F133-M164 HydrophobicContact CG-CE 4.22Å; F133-N165 PolarHBondContact O-N 2.82Å
134	Q	95.4	Very high	92.9	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.023	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.8	173.3	-176.3	-173.7	8.7	0	0	109.1	I4 V5 H6 L7 Y50 N165 F167	I4-Q134 HydrophobicContact CG2-CB 3.9Å; V5-Q134 PolarHBondContact O-N 3.4Å; H6-Q134 CarbonylContact C-O 3.49Å; H6-Q134 WeakPolarHBondContact CA-O 3.31Å; H6-Q134 PolarHBondContact ND1-OE1 3.41Å; L7-Q134 PolarHBondContact N-O 2.96Å; Y50-Q134 PolarHBondContact OH-OE1 2.76Å; Q134-N165 CarbonylContact C-O 3.57Å; Q134-N165 WeakPolarHBondContact CA-O 3.15Å; Q134-F167 HydrophobicContact CG-CD2 3.87Å; Q134-F167 HydrophobicContact CG-CE2 3.7Å
135	L	96.4	Very high	93	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	137.1	-177.6	-171.2	147.6	0	0	0	111.1	L7 I9 H137 L151 I152 N165 T166 F167	L7-L135 HydrophobicContact CB-CB 4.36Å; L7-L135 HydrophobicContact CB-CD1 4.42Å; L7-L135 HydrophobicContact CB-CG 4.28Å; L7-L135 HydrophobicContact CD1-CD1 4.49Å; L7-L135 CarbonylContact O-C 3.53Å; L7-L135 WeakPolarHBondContact O-CA 3.43Å; I9-L135 HydrophobicContact CD1-CD1 3.44Å; I9-L135 VanDerWaalsContact CD1-CD1 3.44Å; I9-L135 HydrophobicContact CD1-CD2 4.29Å; I9-L135 HydrophobicContact CD1-CG 3.85Å; I9-L135 HydrophobicContact CG1-CD1 4.49Å; I9-L135 HydrophobicContact CG1-CG 4.45Å; L135-H137 HydrophobicContact CD2-CB 3.69Å; L135-H137 WeakPolarHBondContact CD2-ND1 3.05Å; L135-L151 HydrophobicContact CD1-CD2 4.43Å; L135-I152 HydrophobicContact CD1-CD1 3.97Å; L135-I152 HydrophobicContact CD1-CG1 3.59Å; L135-I152 HydrophobicContact CD2-CD1 4.24Å; L135-N165 PolarHBondContact N-O 2.91Å; L135-T166 HydrophobicContact CB-CG2 4.31Å; L135-T166 CarbonylContact O-C 3.53Å; L135-T166 WeakPolarHBondContact O-CA 3.31Å; L135-F167 PolarHBondContact O-N 2.82Å
136	V	96.8	Very high	93.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.4	175.9	-169.2	0	0	0	0	108.6	H6 L7 I9 G13 I16 F167 I169 M233	H6-V136 WeakPolarHBondContact CE1-CG2 3.2Å; L7-V136 PolarHBondContact O-N 2.87Å; I9-V136 PolarHBondContact N-O 2.82Å; G13-V136 VanDerWaalsContact CA-O 3.29Å; G13-V136 WeakPolarHBondContact CA-O 3.41Å; I16-V136 HydrophobicContact CB-CG1 4.1Å; I16-V136 HydrophobicContact CG2-CG1 3.83Å; V136-F167 HydrophobicContact CG1-CB 4.26Å; V136-F167 HydrophobicContact CG2-CB 4.28Å; V136-I169 HydrophobicContact CG1-CD1 4.35Å; V136-M233 HydrophobicContact CG2-CE 3.5Å
137	H	96.3	Very high	93.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	165	-175.7	69.4	170.3	0	0	0	112.6	I9 L135 L139 G144 F167 S168 I169	I9-H137 HydrophobicContact CB-CB 4.41Å; L135-H137 HydrophobicContact CD2-CB 3.69Å; L135-H137 WeakPolarHBondContact CD2-ND1 3.05Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.26Å; H137-G144 WeakPolarHBondContact CB-O 3.36Å; H137-G144 PolarHBondContact ND1-O 2.91Å; H137-F167 PolarHBondContact N-O 2.84Å; H137-S168 PolarHBondContact CD2-OG 3.14Å; H137-S168 PolarHBondContact NE2-OG 3.49Å; H137-I169 WeakPolarHBondContact O-CD1 3.38Å; H137-I169 PolarHBondContact O-N 2.86Å
138	S	94.5	Very high	93.5	Very high	20 Å²	20	13.3 Å²	13.3	14%	0.14	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140	168.9	59.7	0	0	0	0	111	G144 S145	S138-G144 CarbonylContact O-C 3.51Å; S138-G144 VanDerWaalsContact O-C 3.31Å; S138-S145 PolarHBondContact O-N 2.98Å; S138-S145 VanDerWaalsContact O-N 3.14Å
139	L	93.8	Very high	93.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-82.5	-19.6	177.5	-52.6	-169.3	0	0	0	112.6	H137 S145 I169 M170 N184 A185 V189 L192	H137-L139 WeakPolarHBondContact NE2-CD2 3.26Å; L139-S145 WeakPolarHBondContact O-CB 3.37Å; L139-I169 PolarHBondContact N-O 2.8Å; L139-M170 HydrophobicContact CD1-CE 3.81Å; L139-M170 HydrophobicContact CD1-SD 3.62Å; L139-N184 CarbonylContact O-C 3.19Å; L139-N184 VanDerWaalsContact O-CB 3.26Å; L139-N184 WeakPolarHBondContact O-CB 3.02Å; L139-A185 HydrophobicContact CB-CB 4.1Å; L139-A185 WeakPolarHBondContact O-CA 3.41Å; L139-A185 PolarHBondContact O-N 3.44Å; L139-V189 HydrophobicContact CD1-CG2 3.94Å; L139-L192 HydrophobicContact CD1-CD1 4.01Å; L139-L192 HydrophobicContact CD2-CD1 3.73Å
140	G	89.4	Confident	94	Very high	3 Å²	3	5.6 Å²	5.6	3%	0.031	4%	0.035	C	C	.	.	S	Bend	trans	-81.9	-20.6	179.3	0	0	0	0	0	115.1	N184	G140-N184 PolarHBondContact O-ND2 2.76Å
141	G	91.3	Very high	94.2	Very high	11 Å²	11	5.1 Å²	5.1	11%	0.113	3%	0.033	C	C	.	.	S	Bend	trans	-74.2	-170.4	-178.7	0	0	0	0	0	113	S145 N184	G141-S145 VanDerWaalsContact C-OG 3.28Å; G141-S145 WeakPolarHBondContact O-CB 3.24Å; G141-S145 PolarHBondContact O-OG 2.82Å; G141-N184 WeakPolarHBondContact O-CB 3.49Å; G141-N184 VanDerWaalsContact O-CG 3.26Å; G141-N184 PolarHBondContact O-ND2 2.96Å
142	G	92.4	Very high	94.5	Very high	2 Å²	2	3.9 Å²	3.9	2%	0.021	3%	0.027	C	C	.	.	S	Bend	trans	-102.6	-47.5	167.7	0	0	0	0	0	112.5	N100 S145 G146	N100-G142 WeakPolarHBondContact O-CA 3.49Å; G142-S145 PolarHBondContact O-OG 3.12Å; G142-G146 PolarHBondContact O-N 2.81Å
143	T	94.2	Very high	94.5	Very high	12 Å²	12	5.2 Å²	5.2	7%	0.074	3%	0.034	C	C	.	.	I	π-helix	trans	-69.4	-54.5	178	-47.9	0	0	0	0	111.7	I9 L68 S145 M147 G148	I9-T143 HydrophobicContact CG2-CG2 4.23Å; L68-T143 HydrophobicContact CB-CG2 4.06Å; L68-T143 HydrophobicContact CD1-CG2 3.91Å; L68-T143 HydrophobicContact CG-CG2 3.73Å; T143-S145 PolarHBondContact O-N 3.33Å; T143-M147 HydrophobicContact CG2-CB 4.37Å; T143-M147 HydrophobicContact CG2-SD 4.23Å; T143-M147 WeakPolarHBondContact O-CB 3.4Å; T143-M147 PolarHBondContact O-N 3.47Å; T143-M147 VanDerWaalsContact O-N 3.14Å; T143-G148 PolarHBondContact O-N 2.99Å
144	G	93.4	Very high	94.5	Very high	2 Å²	2	8.8 Å²	8.8	2%	0.021	5%	0.049	C	C	.	.	I	π-helix	trans	-58.7	-38.9	-178.2	0	0	0	0	0	112.1	H137 S138 G148	H137-G144 WeakPolarHBondContact CB-O 3.36Å; H137-G144 PolarHBondContact ND1-O 2.91Å; S138-G144 CarbonylContact O-C 3.51Å; S138-G144 VanDerWaalsContact O-C 3.31Å; G144-G148 WeakPolarHBondContact O-CA 3.08Å; G144-G148 PolarHBondContact O-N 3.4Å
145	S	94.4	Very high	94.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	I	π-helix	trans	-80.5	-67.2	-176.9	67.5	0	0	0	0	111	S138 L139 G141 G142 T143 G148 T149 S188	S138-S145 PolarHBondContact O-N 2.98Å; S138-S145 VanDerWaalsContact O-N 3.14Å; L139-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 VanDerWaalsContact C-OG 3.28Å; G141-S145 WeakPolarHBondContact O-CB 3.24Å; G141-S145 PolarHBondContact O-OG 2.82Å; G142-S145 PolarHBondContact O-OG 3.12Å; T143-S145 PolarHBondContact O-N 3.33Å; S145-G148 PolarHBondContact O-N 3.26Å; S145-T149 WeakPolarHBondContact O-CG2 3.41Å; S145-T149 PolarHBondContact O-N 3.07Å; S145-T149 PolarHBondContact O-OG1 3.33Å; S145-S188 VanDerWaalsContact CB-OG 3.24Å; S145-S188 WeakPolarHBondContact CB-OG 3.33Å
146	G	94.6	Very high	94.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-69.5	-50.5	-172.5	0	0	0	0	0	113.9	W101 G104 H105 G142 G148 T149 L150	W101-G146 VanDerWaalsContact CD1-N 3.29Å; G104-G146 CarbonylContact O-C 3.31Å; H105-G146 PolarHBondContact ND1-O 2.86Å; G142-G146 PolarHBondContact O-N 2.81Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-T149 PolarHBondContact O-OG1 2.95Å; G146-T149 VanDerWaalsContact O-OG1 3.09Å; G146-L150 WeakPolarHBondContact O-CB 3.22Å; G146-L150 PolarHBondContact O-N 3.32Å
147	M	95	Very high	94.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.088	C	C	.	.	I	π-helix	trans	-70.9	-34.3	177.3	-170.2	-171.5	178	0	0	110.7	V66 L68 G104 L112 V116 T143 L150 L151	V66-M147 HydrophobicContact CG1-CE 3.51Å; V66-M147 HydrophobicContact CG1-SD 3.84Å; L68-M147 HydrophobicContact CD1-SD 4.43Å; L68-M147 HydrophobicContact CD2-SD 4.06Å; L68-M147 HydrophobicContact CG-SD 4.01Å; G104-M147 WeakPolarHBondContact O-CA 3.37Å; G104-M147 WeakPolarHBondContact O-CB 3.45Å; G104-M147 PolarHBondContact O-N 2.97Å; L112-M147 HydrophobicContact CB-CE 3.79Å; L112-M147 HydrophobicContact CD2-CE 3.82Å; L112-M147 HydrophobicContact CD2-SD 4.32Å; L112-M147 HydrophobicContact CG-CE 3.82Å; V116-M147 HydrophobicContact CG2-CE 3.76Å; T143-M147 HydrophobicContact CG2-CB 4.37Å; T143-M147 HydrophobicContact CG2-SD 4.23Å; T143-M147 WeakPolarHBondContact O-CB 3.4Å; T143-M147 PolarHBondContact O-N 3.47Å; T143-M147 VanDerWaalsContact O-N 3.14Å; M147-L150 PolarHBondContact O-N 2.7Å; M147-L151 WeakPolarHBondContact O-CB 3.19Å; M147-L151 PolarHBondContact O-N 3.43Å
148	G	95.1	Very high	94.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.5	-47.5	176.1	0	0	0	0	0	112.6	T143 G144 S145 G146 L151 I152	T143-G148 PolarHBondContact O-N 2.99Å; G144-G148 WeakPolarHBondContact O-CA 3.08Å; G144-G148 PolarHBondContact O-N 3.4Å; S145-G148 PolarHBondContact O-N 3.26Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G148-L151 PolarHBondContact O-N 3.01Å; G148-I152 VanDerWaalsContact O-CG1 3.29Å; G148-I152 WeakPolarHBondContact O-CG1 3.17Å; G148-I152 PolarHBondContact O-N 2.85Å
149	T	95.2	Very high	94.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.9	-36.8	176.6	55.3	0	0	0	0	112.8	H105 S145 G146 L151 I152 N153 Q191	H105-T149 PolarHBondContact ND1-OG1 3.03Å; S145-T149 WeakPolarHBondContact O-CG2 3.41Å; S145-T149 PolarHBondContact O-N 3.07Å; S145-T149 PolarHBondContact O-OG1 3.33Å; G146-T149 PolarHBondContact O-OG1 2.95Å; G146-T149 VanDerWaalsContact O-OG1 3.09Å; T149-L151 VanDerWaalsContact C-N 3.29Å; T149-L151 PolarHBondContact O-N 2.97Å; T149-I152 PolarHBondContact O-N 2.95Å; T149-N153 VanDerWaalsContact O-CG 3.28Å; T149-N153 PolarHBondContact O-N 2.95Å; T149-N153 PolarHBondContact O-OD1 3.42Å; T149-Q191 HydrophobicContact CG2-CB 3.71Å; T149-Q191 HydrophobicContact CG2-CG 4.33Å
150	L	95.3	Very high	94	Very high	22 Å²	22	25.8 Å²	25.8	12%	0.115	13%	0.131	C	C	.	.	H	α-helix	trans	-58.1	-44.6	172.9	-177.7	67.1	0	0	0	111.4	H105 A110 V113 G146 M147 N153 K154	H105-L150 WeakPolarHBondContact O-CD2 3.43Å; A110-L150 HydrophobicContact CB-CD2 4.23Å; V113-L150 HydrophobicContact CB-CD2 3.97Å; V113-L150 HydrophobicContact CG1-CD2 3.98Å; V113-L150 HydrophobicContact CG2-CD2 4.15Å; V113-L150 HydrophobicContact CG2-CG 4.26Å; G146-L150 WeakPolarHBondContact O-CB 3.22Å; G146-L150 PolarHBondContact O-N 3.32Å; M147-L150 PolarHBondContact O-N 2.7Å; L150-N153 PolarHBondContact O-N 3.37Å; L150-K154 WeakPolarHBondContact O-CG 3.36Å; L150-K154 PolarHBondContact O-N 3.23Å
151	L	95.5	Very high	94.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-40.6	178.5	-169.7	74.4	0	0	0	111.4	L7 I9 V113 V116 M117 L135 M147 G148 T149 N153 K154 I155	L7-L151 HydrophobicContact CD1-CD2 4.04Å; L7-L151 HydrophobicContact CD2-CD2 4.08Å; L7-L151 HydrophobicContact CG-CD2 4.49Å; I9-L151 HydrophobicContact CD1-CB 4.35Å; I9-L151 HydrophobicContact CD1-CD2 3.55Å; V113-L151 HydrophobicContact CG2-CD1 3.8Å; V116-L151 HydrophobicContact CB-CD1 4.12Å; V116-L151 HydrophobicContact CG1-CD1 3.62Å; V116-L151 HydrophobicContact CG1-CD2 4.03Å; M117-L151 HydrophobicContact CG-CD1 4.12Å; M117-L151 HydrophobicContact SD-CD1 3.7Å; L135-L151 HydrophobicContact CD1-CD2 4.43Å; M147-L151 WeakPolarHBondContact O-CB 3.19Å; M147-L151 PolarHBondContact O-N 3.43Å; G148-L151 PolarHBondContact O-N 3.01Å; T149-L151 VanDerWaalsContact C-N 3.29Å; T149-L151 PolarHBondContact O-N 2.97Å; L151-N153 VanDerWaalsContact C-N 3.33Å; L151-N153 PolarHBondContact O-N 3.38Å; L151-K154 PolarHBondContact O-N 3.04Å; L151-I155 HydrophobicContact CD1-CD1 4.43Å; L151-I155 HydrophobicContact CD2-CD1 4.12Å; L151-I155 HydrophobicContact CG-CD1 3.79Å; L151-I155 HydrophobicContact CG-CG1 4.33Å; L151-I155 WeakPolarHBondContact O-CB 3.31Å; L151-I155 VanDerWaalsContact O-CG1 3.24Å; L151-I155 WeakPolarHBondContact O-CG1 3.3Å; L151-I155 PolarHBondContact O-N 2.73Å
152	I	95.9	Very high	94.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-47.3	175.4	-71	166.7	0	0	0	110.4	L135 G148 T149 K154 I155 R156 M164 T166 L192 N195 T196	L135-I152 HydrophobicContact CD1-CD1 3.97Å; L135-I152 HydrophobicContact CD1-CG1 3.59Å; L135-I152 HydrophobicContact CD2-CD1 4.24Å; G148-I152 VanDerWaalsContact O-CG1 3.29Å; G148-I152 WeakPolarHBondContact O-CG1 3.17Å; G148-I152 PolarHBondContact O-N 2.85Å; T149-I152 PolarHBondContact O-N 2.95Å; I152-K154 PolarHBondContact O-N 3.1Å; I152-I155 PolarHBondContact O-N 3Å; I152-R156 WeakPolarHBondContact O-CB 3.49Å; I152-R156 PolarHBondContact O-N 3.04Å; I152-M164 HydrophobicContact CG1-SD 4.26Å; I152-M164 HydrophobicContact CG2-CG 4.11Å; I152-T166 HydrophobicContact CD1-CG2 3.78Å; I152-L192 HydrophobicContact CD1-CD2 3.64Å; I152-N195 HydrophobicContact CG2-CB 3.56Å; I152-T196 HydrophobicContact CD1-CG2 4.16Å; I152-T196 HydrophobicContact CG2-CG2 3.89Å
153	N	94.6	Very high	94.1	Very high	27 Å²	27	35.7 Å²	35.7	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-47.6	179.3	-65.2	2.3	0	0	0	111	T149 L150 L151 I155 R156 E157 Q191 N195	T149-N153 VanDerWaalsContact O-CG 3.28Å; T149-N153 PolarHBondContact O-N 2.95Å; T149-N153 PolarHBondContact O-OD1 3.42Å; L150-N153 PolarHBondContact O-N 3.37Å; L151-N153 VanDerWaalsContact C-N 3.33Å; L151-N153 PolarHBondContact O-N 3.38Å; N153-I155 PolarHBondContact O-N 3Å; N153-R156 PolarHBondContact O-N 3.15Å; N153-E157 WeakPolarHBondContact O-CG 3.28Å; N153-E157 PolarHBondContact O-N 3Å; N153-Q191 PolarHBondContact ND2-OE1 3.19Å; N153-N195 PolarHBondContact OD1-ND2 2.97Å
154	K	94.8	Very high	94.2	Very high	78 Å²	78	35.2 Å²	35.2	34%	0.339	17%	0.17	S	C	.	.	H	α-helix	trans	-63.1	-39.6	178.3	-72.4	-74.1	157.4	-148.8	0	112.9	V113 M117 L150 L151 I152 R156 E157 D158	V113-K154 HydrophobicContact CG2-CG 4.41Å; M117-K154 HydrophobicContact CE-CB 4.21Å; M117-K154 HydrophobicContact CG-CB 4.23Å; M117-K154 HydrophobicContact SD-CB 3.96Å; L150-K154 WeakPolarHBondContact O-CG 3.36Å; L150-K154 PolarHBondContact O-N 3.23Å; L151-K154 PolarHBondContact O-N 3.04Å; I152-K154 PolarHBondContact O-N 3.1Å; K154-R156 VanDerWaalsContact C-N 3.35Å; K154-E157 IonicContact NZ-OE1 2.99Å; K154-E157 IonicContact NZ-OE2 2.7Å; K154-E157 PolarHBondContact NZ-OE2 3.39Å; K154-E157 PolarHBondContact O-N 2.96Å; K154-D158 PolarHBondContact O-N 3.3Å
155	I	95.1	Very high	94.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-68	-37.5	175.5	-68.7	171.2	0	0	0	110.7	L7 M117 V120 F133 L151 I152 N153 E157 D158 Y159 M164	L7-I155 HydrophobicContact CD1-CD1 3.45Å; L7-I155 VanDerWaalsContact CD1-CD1 3.45Å; M117-I155 HydrophobicContact CE-CG1 4.06Å; M117-I155 HydrophobicContact SD-CG1 3.64Å; V120-I155 HydrophobicContact CG1-CD1 4.41Å; V120-I155 HydrophobicContact CG1-CG1 4.46Å; F133-I155 HydrophobicContact CD1-CD1 4.37Å; F133-I155 HydrophobicContact CD1-CG2 4.37Å; F133-I155 HydrophobicContact CD2-CG2 3.3Å; F133-I155 HydrophobicContact CE1-CG2 4.39Å; F133-I155 HydrophobicContact CE2-CG2 3.28Å; F133-I155 HydrophobicContact CG-CD1 4.46Å; F133-I155 HydrophobicContact CG-CG2 3.86Å; F133-I155 HydrophobicContact CZ-CG2 3.86Å; L151-I155 HydrophobicContact CD1-CD1 4.43Å; L151-I155 HydrophobicContact CD2-CD1 4.12Å; L151-I155 HydrophobicContact CG-CD1 3.79Å; L151-I155 HydrophobicContact CG-CG1 4.33Å; L151-I155 WeakPolarHBondContact O-CB 3.31Å; L151-I155 VanDerWaalsContact O-CG1 3.24Å; L151-I155 WeakPolarHBondContact O-CG1 3.3Å; L151-I155 PolarHBondContact O-N 2.73Å; I152-I155 PolarHBondContact O-N 3Å; N153-I155 PolarHBondContact O-N 3Å; I155-E157 VanDerWaalsContact C-N 3.33Å; I155-D158 PolarHBondContact O-N 3.42Å; I155-Y159 HydrophobicContact CG2-CD2 4.09Å; I155-Y159 WeakPolarHBondContact O-CA 3.38Å; I155-Y159 WeakPolarHBondContact O-CB 3.27Å; I155-Y159 PolarHBondContact O-N 2.86Å; I155-M164 HydrophobicContact CB-CE 3.69Å; I155-M164 HydrophobicContact CD1-CE 4.13Å; I155-M164 HydrophobicContact CG2-CE 3.32Å
156	R	93.7	Very high	94.3	Very high	66 Å²	66	35.4 Å²	35.4	25%	0.249	17%	0.171	C	C	.	.	H	α-helix	trans	-67.9	-34.4	177.5	-168.2	58.7	169.2	-157.4	-13.3	112	I152 N153 K154 P160 R162 D197	I152-R156 WeakPolarHBondContact O-CB 3.49Å; I152-R156 PolarHBondContact O-N 3.04Å; N153-R156 PolarHBondContact O-N 3.15Å; K154-R156 VanDerWaalsContact C-N 3.35Å; R156-P160 WeakPolarHBondContact O-CA 3.48Å; R156-R162 PolarHBondContact NH1-O 2.9Å; R156-D197 IonicContact CZ-OD1 3.46Å; R156-D197 IonicContact CZ-OD2 3.39Å; R156-D197 IonicContact NH1-OD1 2.74Å; R156-D197 PolarHBondContact NH1-OD1 3.4Å; R156-D197 IonicContact NH1-OD2 2.9Å; R156-D197 PolarHBondContact NH1-OD2 3.11Å; R156-D197 IonicContact NH2-OD1 3.23Å; R156-D197 PolarHBondContact NH2-OD1 3.4Å
157	E	93.6	Very high	94.4	Very high	124 Å²	124	35.6 Å²	35.6	58%	0.579	17%	0.171	S	C	*	.	H	α-helix	trans	-63.9	-49.8	171.2	-72.3	173.4	-178.8	0	0	112	N153 K154 I155	N153-E157 WeakPolarHBondContact O-CG 3.28Å; N153-E157 PolarHBondContact O-N 3Å; K154-E157 IonicContact NZ-OE1 2.99Å; K154-E157 IonicContact NZ-OE2 2.7Å; K154-E157 PolarHBondContact NZ-OE2 3.39Å; K154-E157 PolarHBondContact O-N 2.96Å; I155-E157 VanDerWaalsContact C-N 3.33Å
158	D	94.2	Very high	94.4	Very high	70 Å²	70	35.5 Å²	35.5	37%	0.374	17%	0.171	S	C	.	.	H	α-helix	trans	-76.3	-30.5	-177	-81.5	4.5	0	0	0	112.9	M117 R121 K154 I155	M117-D158 HydrophobicContact CE-CB 4.11Å; M117-D158 WeakPolarHBondContact CE-OD2 3.42Å; R121-D158 IonicContact CZ-OD2 2.96Å; R121-D158 IonicContact NE-OD2 3.35Å; R121-D158 PolarHBondContact NE-OD2 3.43Å; R121-D158 IonicContact NH2-OD2 3.47Å; R121-D158 PolarHBondContact NH2-OD2 3.07Å; K154-D158 PolarHBondContact O-N 3.3Å; I155-D158 PolarHBondContact O-N 3.42Å
159	Y	94.5	Very high	94.4	Very high	46 Å²	46	35.6 Å²	35.6	18%	0.18	17%	0.171	C	C	.	.			trans	-132.7	61.7	-173.3	-57.2	-85.7	0	0	0	112.9	V120 R121 L130 F133 I155 D161 R162	V120-Y159 HydrophobicContact CG1-CE2 4.45Å; R121-Y159 WeakPolarHBondContact CG-OH 3.01Å; L130-Y159 HydrophobicContact CD2-CD1 4.49Å; F133-Y159 AromaticContact CE2-CD2 3.94Å; F133-Y159 HydrophobicContact CE2-CD2 3.94Å; F133-Y159 AromaticContact CE2-CG 3.87Å; F133-Y159 HydrophobicContact CE2-CG 3.87Å; F133-Y159 HydrophobicContact CZ-CD1 4.37Å; F133-Y159 AromaticContact CZ-CD2 3.76Å; F133-Y159 HydrophobicContact CZ-CD2 3.76Å; F133-Y159 HydrophobicContact CZ-CE2 4.01Å; F133-Y159 AromaticContact CZ-CG 3.95Å; F133-Y159 HydrophobicContact CZ-CG 3.95Å; I155-Y159 HydrophobicContact CG2-CD2 4.09Å; I155-Y159 WeakPolarHBondContact O-CA 3.38Å; I155-Y159 WeakPolarHBondContact O-CB 3.27Å; I155-Y159 PolarHBondContact O-N 2.86Å; Y159-D161 VanDerWaalsContact C-N 3.29Å; Y159-D161 PolarHBondContact O-N 3.18Å; Y159-R162 HydrophobicContact CD1-CG 4.35Å; Y159-R162 PolarHBondContact O-N 3.36Å; Y159-R162 VanDerWaalsContact O-N 3.16Å
160	P	92.3	Very high	94.2	Very high	74 Å²	74	35.7 Å²	35.7	48%	0.481	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.3	-174.4	25.2	-35.3	0	0	0	113.7	R156 R162	R156-P160 WeakPolarHBondContact O-CA 3.48Å; P160-R162 VanDerWaalsContact C-N 3.27Å; P160-R162 PolarHBondContact O-N 2.92Å
161	D	90.3	Very high	93.7	Very high	126 Å²	126	35.2 Å²	35.2	67%	0.674	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.6	-178.4	-64.4	-40.5	0	0	0	113.8	Y159 R251	Y159-D161 VanDerWaalsContact C-N 3.29Å; Y159-D161 PolarHBondContact O-N 3.18Å; D161-R251 PolarHBondContact O-NH2 2.85Å
162	R	92.8	Very high	93	Very high	92 Å²	92	35.2 Å²	35.2	35%	0.347	17%	0.17	S	C	.	.	S	Bend	trans	-101.9	143.7	-175.6	-56.4	-58.8	177.2	-174.5	-8.4	110.6	L130 F133 R156 Y159 P160	L130-R162 HydrophobicContact CD2-CG 4.29Å; L130-R162 WeakPolarHBondContact O-CD 3.31Å; L130-R162 PolarHBondContact O-NH1 3.47Å; F133-R162 HydrophobicContact CD2-CB 4.49Å; F133-R162 HydrophobicContact CE2-CB 4.2Å; R156-R162 PolarHBondContact NH1-O 2.9Å; Y159-R162 HydrophobicContact CD1-CG 4.35Å; Y159-R162 PolarHBondContact O-N 3.36Å; Y159-R162 VanDerWaalsContact O-N 3.16Å; P160-R162 VanDerWaalsContact C-N 3.27Å; P160-R162 PolarHBondContact O-N 2.92Å
163	I	92.6	Very high	91.9	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	131.9	-179.1	-65.6	-66.1	0	0	0	109.8	Q131 G132 F133 N165 D197 L250 R251	Q131-I163 PolarHBondContact O-N 2.77Å; G132-I163 CarbonylContact C-O 3.51Å; G132-I163 WeakPolarHBondContact CA-O 3.38Å; F133-I163 PolarHBondContact N-O 3.2Å; I163-N165 WeakPolarHBondContact CG2-OD1 3.4Å; I163-D197 VanDerWaalsContact CA-OD2 3.31Å; I163-D197 WeakPolarHBondContact CA-OD2 3.32Å; I163-D197 HydrophobicContact CD1-CB 4.26Å; I163-D197 HydrophobicContact CG2-CB 4.27Å; I163-L250 HydrophobicContact CB-CB 4.27Å; I163-L250 HydrophobicContact CG1-CB 4.42Å; I163-L250 HydrophobicContact CG2-CB 4.02Å; I163-L250 HydrophobicContact CG2-CD1 4.43Å; I163-R251 HydrophobicContact CD1-CB 4.36Å; I163-R251 HydrophobicContact CD1-CG 4.48Å; I163-R251 HydrophobicContact CG1-CB 4.17Å
164	M	94.8	Very high	90.9	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.7	174.2	180	60.1	70	0	0	110.4	F133 I152 I155 T196 D197 E198	F133-M164 HydrophobicContact CB-CE 3.85Å; F133-M164 HydrophobicContact CB-SD 3.9Å; F133-M164 HydrophobicContact CD2-CE 4.13Å; F133-M164 HydrophobicContact CG-CE 4.22Å; I152-M164 HydrophobicContact CG1-SD 4.26Å; I152-M164 HydrophobicContact CG2-CG 4.11Å; I155-M164 HydrophobicContact CB-CE 3.69Å; I155-M164 HydrophobicContact CD1-CE 4.13Å; I155-M164 HydrophobicContact CG2-CE 3.32Å; M164-T196 HydrophobicContact CG-CG2 3.96Å; M164-D197 PolarHBondContact N-OD2 3.29Å; M164-D197 PolarHBondContact O-N 3.13Å; M164-E198 PolarHBondContact O-N 3.31Å
165	N	94.3	Very high	89.8	Confident	6 Å²	6	40.4 Å²	40.4	3%	0.032	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.8	178.5	-78.2	16.8	0	0	0	111.1	F133 Q134 L135 I163 E198 L250	F133-N165 PolarHBondContact O-N 2.82Å; Q134-N165 CarbonylContact C-O 3.57Å; Q134-N165 WeakPolarHBondContact CA-O 3.15Å; L135-N165 PolarHBondContact N-O 2.91Å; I163-N165 WeakPolarHBondContact CG2-OD1 3.4Å; N165-E198 CarbonylContact C-O 3.57Å; N165-E198 WeakPolarHBondContact CA-O 3.46Å; N165-E198 PolarHBondContact ND2-OE2 2.98Å; N165-E198 WeakPolarHBondContact OD1-CB 3.29Å; N165-E198 PolarHBondContact OD1-OE2 3Å; N165-L250 WeakPolarHBondContact ND2-CD2 3.42Å
166	T	96.2	Very high	88.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.2	176.4	80	0	0	0	0	112.7	L135 I152 S168 L192 T196 E198 T199 F200	L135-T166 HydrophobicContact CB-CG2 4.31Å; L135-T166 CarbonylContact O-C 3.53Å; L135-T166 WeakPolarHBondContact O-CA 3.31Å; I152-T166 HydrophobicContact CD1-CG2 3.78Å; T166-S168 PolarHBondContact OG1-OG 3.21Å; T166-L192 HydrophobicContact CG2-CD2 3.93Å; T166-T196 HydrophobicContact CG2-CG2 3.56Å; T166-E198 PolarHBondContact N-O 3.37Å; T166-T199 WeakPolarHBondContact OG1-CB 3.26Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.36Å; T166-T199 PolarHBondContact OG1-OG1 3.44Å; T166-F200 PolarHBondContact O-N 3.08Å
167	F	96.4	Very high	87.7	Confident	3 Å²	3	46.2 Å²	46.2	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	100	164.8	-70.4	-91.7	0	0	0	106.7	Q134 L135 V136 H137 F200 I202 M233 V236	Q134-F167 HydrophobicContact CG-CD2 3.87Å; Q134-F167 HydrophobicContact CG-CE2 3.7Å; L135-F167 PolarHBondContact O-N 2.82Å; V136-F167 HydrophobicContact CG1-CB 4.26Å; V136-F167 HydrophobicContact CG2-CB 4.28Å; H137-F167 PolarHBondContact N-O 2.84Å; F167-F200 HydrophobicContact CD1-CB 3.72Å; F167-F200 HydrophobicContact CD1-CD2 4.08Å; F167-F200 HydrophobicContact CD1-CG 4.04Å; F167-F200 HydrophobicContact CD2-CD2 4.4Å; F167-F200 HydrophobicContact CE1-CB 3.88Å; F167-F200 HydrophobicContact CE1-CD1 4.37Å; F167-F200 AromaticContact CE1-CD2 3.65Å; F167-F200 HydrophobicContact CE1-CD2 3.65Å; F167-F200 HydrophobicContact CE1-CE2 4.33Å; F167-F200 AromaticContact CE1-CG 3.69Å; F167-F200 HydrophobicContact CE1-CG 3.69Å; F167-F200 AromaticContact CE2-CD2 3.93Å; F167-F200 HydrophobicContact CE2-CD2 3.93Å; F167-F200 HydrophobicContact CE2-CE2 4.29Å; F167-F200 HydrophobicContact CG-CB 4.41Å; F167-F200 HydrophobicContact CG-CD2 4.45Å; F167-F200 AromaticContact CZ-CD2 3.58Å; F167-F200 HydrophobicContact CZ-CD2 3.58Å; F167-F200 AromaticContact CZ-CE2 3.89Å; F167-F200 HydrophobicContact CZ-CE2 3.89Å; F167-F200 HydrophobicContact CZ-CG 4.1Å; F167-I202 HydrophobicContact CB-CD1 4.29Å; F167-I202 HydrophobicContact CD1-CD1 4.04Å; F167-M233 HydrophobicContact CD1-CG 3.58Å; F167-M233 HydrophobicContact CD1-SD 4.44Å; F167-M233 HydrophobicContact CD2-CE 4.19Å; F167-M233 HydrophobicContact CE1-CB 4.35Å; F167-M233 HydrophobicContact CE1-CG 3.68Å; F167-M233 HydrophobicContact CG-CE 4.19Å; F167-M233 HydrophobicContact CG-CG 4.1Å; F167-M233 HydrophobicContact CG-SD 4.44Å; F167-M233 HydrophobicContact CZ-CG 4.31Å; F167-V236 HydrophobicContact CZ-CB 4.36Å; F167-V236 HydrophobicContact CZ-CG1 4.06Å
168	S	95.6	Very high	87.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.6	-168.7	-69.8	0	0	0	0	110.2	H137 T166 M170 F200 I202	H137-S168 PolarHBondContact CD2-OG 3.14Å; H137-S168 PolarHBondContact NE2-OG 3.49Å; T166-S168 PolarHBondContact OG1-OG 3.21Å; S168-M170 PolarHBondContact O-N 3.43Å; S168-F200 PolarHBondContact N-O 3.26Å; S168-I202 PolarHBondContact O-N 2.83Å
169	I	94.3	Very high	86.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.1	178.7	-64.4	80.7	0	0	0	108.8	I16 V136 H137 L139 I202 N204	I16-I169 HydrophobicContact CD1-CD1 3.4Å; I16-I169 VanDerWaalsContact CD1-CD1 3.4Å; I16-I169 HydrophobicContact CD1-CG1 3.54Å; V136-I169 HydrophobicContact CG1-CD1 4.35Å; H137-I169 WeakPolarHBondContact O-CD1 3.38Å; H137-I169 PolarHBondContact O-N 2.86Å; L139-I169 PolarHBondContact N-O 2.8Å; I169-I202 CarbonylContact C-O 3.2Å; I169-I202 VanDerWaalsContact CA-O 3.3Å; I169-I202 WeakPolarHBondContact CA-O 3.49Å; I169-I202 HydrophobicContact CG1-CB 4.41Å; I169-I202 HydrophobicContact CG1-CG2 4.38Å; I169-N204 WeakPolarHBondContact CG2-ND2 3.28Å; I169-N204 WeakPolarHBondContact CG2-OD1 3.4Å
170	M	90.8	Very high	86.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.9	177.5	-63	-68.8	177.9	0	0	110.2	L139 S168 C201 I202 D203 I377 F378	L139-M170 HydrophobicContact CD1-CE 3.81Å; L139-M170 HydrophobicContact CD1-SD 3.62Å; S168-M170 PolarHBondContact O-N 3.43Å; M170-C201 HydrophobicContact CE-CB 4.06Å; M170-C201 WeakPolarHBondContact CE-SG 3.29Å; M170-I202 PolarHBondContact N-O 3.22Å; M170-D203 HydrophobicContact CB-CB 4.42Å; M170-I377 HydrophobicContact CG-CG2 4.11Å; M170-I377 HydrophobicContact SD-CG2 4.12Å; M170-F378 HydrophobicContact CE-CE1 4.11Å
171	P	86.6	Confident	86.7	Confident	13 Å²	13	38.6 Å²	38.6	8%	0.084	21%	0.206	C	C	.	.			trans	-67.7	152.9	176.2	28.9	-34.6	0	0	0	111.7	E181 A185	P171-E181 HydrophobicContact CB-CB 3.67Å; P171-E181 HydrophobicContact CB-CG 4.28Å; P171-E181 WeakPolarHBondContact CB-OE2 3.37Å; P171-E181 HydrophobicContact CG-CB 4.19Å; P171-A185 HydrophobicContact CG-CB 3.8Å
172	S	80.5	Confident	86.8	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.007	18%	0.177	C	C	.	.			trans	-143.5	132.1	171.8	177.8	0	0	0	0	110.8	K174 V175 S176 E205	S172-K174 PolarHBondContact O-N 3.49Å; S172-K174 VanDerWaalsContact O-N 3.11Å; S172-K174 PolarHBondContact OG-N 2.86Å; S172-V175 PolarHBondContact O-N 3.03Å; S172-S176 PolarHBondContact O-N 3.47Å; S172-E205 WeakPolarHBondContact OG-CB 3.3Å
173	P	73.1	Confident	86.9	Confident	77 Å²	77	28.7 Å²	28.7	50%	0.5	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.4	176.9	29.1	-36.3	0	0	0	113.4	V175	P173-V175 VanDerWaalsContact C-N 3.35Å
174	K	72.4	Confident	87	Confident	105 Å²	105	28.4 Å²	28.4	46%	0.457	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-22.4	174	-70.6	-179.9	179.9	163.4	0	112.9	S172 E205 D209	S172-K174 PolarHBondContact O-N 3.49Å; S172-K174 VanDerWaalsContact O-N 3.11Å; S172-K174 PolarHBondContact OG-N 2.86Å; K174-E205 HydrophobicContact CD-CG 4Å; K174-E205 VanDerWaalsContact CE-OE1 3.22Å; K174-E205 WeakPolarHBondContact CE-OE1 3.49Å; K174-E205 IonicContact NZ-OE1 3.84Å; K174-E205 PolarHBondContact NZ-OE1 3.31Å; K174-D209 IonicContact NZ-OD2 3.47Å; K174-D209 PolarHBondContact NZ-OD2 2.87Å
175	V	71.3	Confident	87	Confident	32 Å²	32	28.3 Å²	28.3	19%	0.194	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-29.7	-170	180	0	0	0	0	111.6	S172 P173 N204 Y208 Y222	S172-V175 PolarHBondContact O-N 3.03Å; P173-V175 VanDerWaalsContact C-N 3.35Å; V175-N204 HydrophobicContact CB-CB 4.11Å; V175-N204 HydrophobicContact CG1-CB 4.24Å; V175-N204 HydrophobicContact CG2-CB 4Å; V175-Y208 HydrophobicContact CG2-CD2 4.29Å; V175-Y208 HydrophobicContact CG2-CG 4.39Å; V175-Y222 HydrophobicContact CG1-CE1 3.78Å; V175-Y222 WeakPolarHBondContact CG1-OH 3.41Å; V175-Y222 PolarHBondContact O-OH 3.45Å
176	S	73.2	Confident	87	Confident	24 Å²	24	28 Å²	28	17%	0.168	16%	0.157	C	C	.	.			trans	-123.7	139.7	178.8	-174.2	0	0	0	0	112	S172 T178 E181	S172-S176 PolarHBondContact O-N 3.47Å; S176-T178 VanDerWaalsContact C-N 3.35Å; S176-T178 PolarHBondContact OG-N 2.85Å; S176-E181 WeakPolarHBondContact CB-OE1 3.37Å; S176-E181 WeakPolarHBondContact CB-OE2 3.37Å; S176-E181 VanDerWaalsContact OG-CD 3.31Å; S176-E181 PolarHBondContact OG-OE1 3.31Å
177	D	72.3	Confident	87	Confident	165 Å²	165	28.2 Å²	28.2	88%	0.882	16%	0.158	S	C	*	.			trans	-89.5	-0.2	175.8	-65.7	-40.9	0	0	0	112.7	V179	D177-V179 PolarHBondContact O-N 3.13Å
178	T	83.3	Confident	86.9	Confident	42 Å²	42	28 Å²	28	26%	0.258	16%	0.157	S	C	.	.			trans	-74.8	117.8	-176.6	-59.2	0	0	0	0	110.5	N99 S176 V180 E181	N99-T178 HydrophobicContact CB-CG2 3.97Å; N99-T178 PolarHBondContact ND2-OG1 2.72Å; S176-T178 VanDerWaalsContact C-N 3.35Å; S176-T178 PolarHBondContact OG-N 2.85Å; T178-V180 HydrophobicContact CG2-CG2 3.72Å; T178-V180 PolarHBondContact O-N 3.11Å; T178-E181 HydrophobicContact CG2-CG 3.87Å; T178-E181 WeakPolarHBondContact O-CG 3.49Å
179	V	86.7	Confident	86.9	Confident	87 Å²	87	28.2 Å²	28.2	53%	0.527	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.4	-174.9	-62.1	0	0	0	0	114.1	D177 F394	D177-V179 PolarHBondContact O-N 3.13Å; V179-F394 HydrophobicContact CG2-CD2 4.16Å; V179-F394 HydrophobicContact CG2-CE2 3.57Å; V179-F394 HydrophobicContact CG2-CZ 3.82Å
180	V	91.8	Very high	86.9	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.024	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.2	-175.3	-62.3	0	0	0	0	114.2	N99 T178 P182 Y183 N184 F394	N99-V180 HydrophobicContact CB-CG2 4.3Å; N99-V180 WeakPolarHBondContact O-CG2 3.49Å; T178-V180 HydrophobicContact CG2-CG2 3.72Å; T178-V180 PolarHBondContact O-N 3.11Å; V180-P182 VanDerWaalsContact C-CD 3.44Å; V180-P182 VanDerWaalsContact C-N 3.34Å; V180-Y183 HydrophobicContact CB-CD2 4.5Å; V180-Y183 WeakPolarHBondContact O-CB 3.49Å; V180-Y183 PolarHBondContact O-N 2.86Å; V180-N184 PolarHBondContact O-N 3.18Å; V180-F394 HydrophobicContact CG1-CB 3.8Å; V180-F394 HydrophobicContact CG1-CD1 4.49Å; V180-F394 HydrophobicContact CG1-CD2 4.05Å; V180-F394 HydrophobicContact CG1-CG 3.86Å
181	E	91.4	Very high	87	Confident	22 Å²	22	30.8 Å²	30.8	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-56.2	-37.7	-178.9	-62.6	-174.2	157.3	0	0	114.4	P171 S176 T178 Y183 N184 A185	P171-E181 HydrophobicContact CB-CB 3.67Å; P171-E181 HydrophobicContact CB-CG 4.28Å; P171-E181 WeakPolarHBondContact CB-OE2 3.37Å; P171-E181 HydrophobicContact CG-CB 4.19Å; S176-E181 WeakPolarHBondContact CB-OE1 3.37Å; S176-E181 WeakPolarHBondContact CB-OE2 3.37Å; S176-E181 VanDerWaalsContact OG-CD 3.31Å; S176-E181 PolarHBondContact OG-OE1 3.31Å; T178-E181 HydrophobicContact CG2-CG 3.87Å; T178-E181 WeakPolarHBondContact O-CG 3.49Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.44Å; E181-N184 PolarHBondContact O-N 3.06Å; E181-A185 WeakPolarHBondContact O-CB 3.33Å; E181-A185 PolarHBondContact O-N 2.95Å
182	P	93	Very high	87.4	Confident	10 Å²	10	30.2 Å²	30.2	7%	0.065	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-31.4	176.9	-21.3	31.3	0	0	0	113.3	V180 T186 Q384 F385 M388	V180-P182 VanDerWaalsContact C-CD 3.44Å; V180-P182 VanDerWaalsContact C-N 3.34Å; P182-T186 WeakPolarHBondContact O-CB 3.38Å; P182-T186 PolarHBondContact O-N 2.87Å; P182-T186 PolarHBondContact O-OG1 2.89Å; P182-T186 VanDerWaalsContact O-OG1 3.05Å; P182-Q384 HydrophobicContact CB-CB 3.92Å; P182-Q384 HydrophobicContact CG-CB 3.74Å; P182-F385 HydrophobicContact CB-CB 4.42Å; P182-M388 HydrophobicContact CB-CE 3.55Å; P182-M388 HydrophobicContact CG-CE 3.6Å
183	Y	94.6	Very high	88	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-53.7	172.4	-75.5	-52.8	0	0	0	110.8	V180 E181 A185 T186 L187 F385 M388 F389 A393 Y398 F408	V180-Y183 HydrophobicContact CB-CD2 4.5Å; V180-Y183 WeakPolarHBondContact O-CB 3.49Å; V180-Y183 PolarHBondContact O-N 2.86Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.44Å; Y183-A185 PolarHBondContact O-N 3.17Å; Y183-T186 PolarHBondContact O-N 3.48Å; Y183-L187 VanDerWaalsContact O-CG 3.25Å; Y183-L187 WeakPolarHBondContact O-CG 3.33Å; Y183-L187 PolarHBondContact O-N 3.29Å; Y183-L187 VanDerWaalsContact O-N 3.08Å; Y183-F385 AromaticContact CD1-CD2 3.52Å; Y183-F385 HydrophobicContact CD1-CD2 3.52Å; Y183-F385 AromaticContact CD1-CE2 3.39Å; Y183-F385 HydrophobicContact CD1-CE2 3.39Å; Y183-F385 HydrophobicContact CD1-CG 4.46Å; Y183-F385 HydrophobicContact CD1-CZ 4.21Å; Y183-F385 AromaticContact CE1-CD2 3.98Å; Y183-F385 HydrophobicContact CE1-CD2 3.98Å; Y183-F385 AromaticContact CE1-CE2 3.84Å; Y183-F385 HydrophobicContact CE1-CE2 3.84Å; Y183-F385 HydrophobicContact CE1-CZ 4.25Å; Y183-F385 HydrophobicContact CG-CD2 4.48Å; Y183-M388 HydrophobicContact CD2-CE 3.83Å; Y183-M388 HydrophobicContact CD2-SD 4.46Å; Y183-M388 HydrophobicContact CE1-CB 4.46Å; Y183-M388 HydrophobicContact CE2-CB 3.87Å; Y183-M388 HydrophobicContact CE2-CE 3.92Å; Y183-M388 HydrophobicContact CE2-SD 4.18Å; Y183-M388 HydrophobicContact CG-CE 4.21Å; Y183-M388 WeakPolarHBondContact OH-CB 3.28Å; Y183-M388 PolarHBondContact OH-O 2.82Å; Y183-F389 HydrophobicContact CE1-CB 4.09Å; Y183-F389 HydrophobicContact CE1-CD2 4.2Å; Y183-F389 WeakPolarHBondContact OH-CA 3.24Å; Y183-F389 PolarHBondContact OH-N 2.86Å; Y183-A393 VanDerWaalsContact CE2-O 3.32Å; Y183-A393 WeakPolarHBondContact CE2-O 3.37Å; Y183-A393 PolarHBondContact OH-O 2.82Å; Y183-Y398 WeakPolarHBondContact CB-OH 3.48Å; Y183-Y398 HydrophobicContact CD2-CE2 4.11Å; Y183-Y398 HydrophobicContact CG-CE2 4.42Å; Y183-F408 AromaticContact CD1-CD1 3.8Å; Y183-F408 HydrophobicContact CD1-CD1 3.8Å; Y183-F408 AromaticContact CD1-CE1 3.58Å; Y183-F408 HydrophobicContact CD1-CE1 3.58Å; Y183-F408 HydrophobicContact CE1-CD1 4.05Å; Y183-F408 HydrophobicContact CE1-CE1 4.07Å; Y183-F408 HydrophobicContact CG-CE1 4.11Å
184	N	94.8	Very high	88.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.5	-40.3	179.6	-60.7	-27.9	0	0	0	111.7	N99 W101 L139 G140 G141 V180 E181 S188 Y398	N99-N184 PolarHBondContact O-ND2 3.43Å; W101-N184 HydrophobicContact CB-CB 4.18Å; W101-N184 WeakPolarHBondContact CB-OD1 3.41Å; W101-N184 PolarHBondContact N-OD1 2.63Å; L139-N184 CarbonylContact O-C 3.19Å; L139-N184 VanDerWaalsContact O-CB 3.26Å; L139-N184 WeakPolarHBondContact O-CB 3.02Å; G140-N184 PolarHBondContact O-ND2 2.76Å; G141-N184 WeakPolarHBondContact O-CB 3.49Å; G141-N184 VanDerWaalsContact O-CG 3.26Å; G141-N184 PolarHBondContact O-ND2 2.96Å; V180-N184 PolarHBondContact O-N 3.18Å; E181-N184 PolarHBondContact O-N 3.06Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.36Å; N184-S188 PolarHBondContact O-N 2.9Å; N184-S188 PolarHBondContact O-OG 3.34Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.22Å; N184-Y398 PolarHBondContact OD1-OH 3.06Å
185	A	94.3	Very high	89.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-70.1	-46.4	-179.1	0	0	0	0	0	112.8	L139 P171 E181 Y183 L187 S188 V189 V381	L139-A185 HydrophobicContact CB-CB 4.1Å; L139-A185 WeakPolarHBondContact O-CA 3.41Å; L139-A185 PolarHBondContact O-N 3.44Å; P171-A185 HydrophobicContact CG-CB 3.8Å; E181-A185 WeakPolarHBondContact O-CB 3.33Å; E181-A185 PolarHBondContact O-N 2.95Å; Y183-A185 PolarHBondContact O-N 3.17Å; A185-L187 PolarHBondContact O-N 2.97Å; A185-S188 PolarHBondContact O-N 2.96Å; A185-V189 VanDerWaalsContact O-CG2 3.29Å; A185-V189 WeakPolarHBondContact O-CG2 3.41Å; A185-V189 PolarHBondContact O-N 3.32Å; A185-V381 HydrophobicContact CB-CG1 3.89Å
186	T	94.8	Very high	90.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-45.9	177.3	-63	0	0	0	0	111.4	P182 Y183 S188 V189 H190 F385 A411 L415	P182-T186 WeakPolarHBondContact O-CB 3.38Å; P182-T186 PolarHBondContact O-N 2.87Å; P182-T186 PolarHBondContact O-OG1 2.89Å; P182-T186 VanDerWaalsContact O-OG1 3.05Å; Y183-T186 PolarHBondContact O-N 3.48Å; T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 PolarHBondContact O-N 2.82Å; T186-V189 PolarHBondContact O-N 2.88Å; T186-H190 PolarHBondContact O-N 3.43Å; T186-H190 VanDerWaalsContact O-N 3.11Å; T186-F385 HydrophobicContact CG2-CD2 3.81Å; T186-F385 HydrophobicContact CG2-CE2 3.77Å; T186-F385 HydrophobicContact CG2-CG 4.27Å; T186-F385 HydrophobicContact CG2-CZ 4.26Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.37Å; T186-A411 HydrophobicContact CG2-CB 4.02Å; T186-L415 HydrophobicContact CG2-CB 4.48Å; T186-L415 HydrophobicContact CG2-CD2 4.08Å
187	L	95.5	Very high	91.8	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-37.7	177.1	-64.6	174.5	0	0	0	112	W101 Y183 A185 Q191 Y398 M403 F408 A411	W101-L187 HydrophobicContact CB-CD1 4.25Å; W101-L187 HydrophobicContact CD2-CB 3.85Å; W101-L187 HydrophobicContact CD2-CD1 3.88Å; W101-L187 HydrophobicContact CE3-CB 4.28Å; W101-L187 HydrophobicContact CE3-CD1 3.7Å; W101-L187 HydrophobicContact CG-CB 4.13Å; W101-L187 HydrophobicContact CG-CD1 4.12Å; W101-L187 HydrophobicContact CZ2-CB 4.26Å; W101-L187 HydrophobicContact CZ3-CD1 4.36Å; Y183-L187 VanDerWaalsContact O-CG 3.25Å; Y183-L187 WeakPolarHBondContact O-CG 3.33Å; Y183-L187 PolarHBondContact O-N 3.29Å; Y183-L187 VanDerWaalsContact O-N 3.08Å; A185-L187 PolarHBondContact O-N 2.97Å; L187-Q191 PolarHBondContact O-N 3.36Å; L187-Y398 HydrophobicContact CD1-CD1 4.36Å; L187-Y398 HydrophobicContact CD1-CE1 4.33Å; L187-M403 HydrophobicContact CD1-CE 3.64Å; L187-M403 HydrophobicContact CD1-SD 4.05Å; L187-M403 HydrophobicContact CD2-CE 3.42Å; L187-M403 VanDerWaalsContact CD2-CE 3.42Å; L187-M403 HydrophobicContact CG-CE 4.14Å; L187-F408 HydrophobicContact CD1-CE1 3.91Å; L187-F408 HydrophobicContact CD1-CZ 4.11Å; L187-F408 HydrophobicContact CD2-CD1 4.37Å; L187-F408 HydrophobicContact CG-CE1 4.47Å; L187-A411 HydrophobicContact CD2-CB 3.71Å
188	S	95.4	Very high	92.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-72.9	-41.4	178.7	-56.7	0	0	0	0	113	W101 S145 N184 A185 T186 H190 Q191 L192	W101-S188 VanDerWaalsContact CD1-OG 3.3Å; W101-S188 PolarHBondContact NE1-OG 2.97Å; S145-S188 VanDerWaalsContact CB-OG 3.24Å; S145-S188 WeakPolarHBondContact CB-OG 3.33Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.36Å; N184-S188 PolarHBondContact O-N 2.9Å; N184-S188 PolarHBondContact O-OG 3.34Å; A185-S188 PolarHBondContact O-N 2.96Å; T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 PolarHBondContact O-N 2.82Å; S188-H190 VanDerWaalsContact C-N 3.26Å; S188-H190 PolarHBondContact O-N 3.11Å; S188-Q191 PolarHBondContact O-N 3.47Å; S188-Q191 VanDerWaalsContact O-N 3.11Å; S188-L192 VanDerWaalsContact O-CG 3.29Å; S188-L192 WeakPolarHBondContact O-CG 3.42Å; S188-L192 PolarHBondContact O-N 3Å
189	V	94.4	Very high	93.4	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.024	9%	0.094	C	C	.	.	H	α-helix	trans	-60.5	-39.4	177.5	170.1	0	0	0	0	110.6	L139 A185 T186 Q191 L192 L193 F265 F378 L415 L418	L139-V189 HydrophobicContact CD1-CG2 3.94Å; A185-V189 VanDerWaalsContact O-CG2 3.29Å; A185-V189 WeakPolarHBondContact O-CG2 3.41Å; A185-V189 PolarHBondContact O-N 3.32Å; T186-V189 PolarHBondContact O-N 2.88Å; V189-Q191 VanDerWaalsContact C-N 3.3Å; V189-Q191 PolarHBondContact O-N 3.16Å; V189-L192 PolarHBondContact O-N 3.28Å; V189-L193 WeakPolarHBondContact O-CB 3.4Å; V189-L193 PolarHBondContact O-N 3.45Å; V189-F265 HydrophobicContact CG1-CZ 4.31Å; V189-F378 HydrophobicContact CG1-CD1 4.17Å; V189-F378 HydrophobicContact CG1-CE1 3.82Å; V189-F378 HydrophobicContact CG2-CD1 4.44Å; V189-F378 HydrophobicContact CG2-CE1 4.01Å; V189-L415 HydrophobicContact CB-CD1 4.44Å; V189-L415 HydrophobicContact CG1-CD1 3.81Å; V189-L418 HydrophobicContact CG1-CD2 4.31Å
190	H	94.3	Very high	93.8	Very high	28 Å²	28	13.8 Å²	13.8	13%	0.13	7%	0.068	C	C	.	.	H	α-helix	trans	-54.5	-46.3	173.7	170.9	27	0	0	0	111.9	T186 S188 E194 A411 N414	T186-H190 PolarHBondContact O-N 3.43Å; T186-H190 VanDerWaalsContact O-N 3.11Å; S188-H190 VanDerWaalsContact C-N 3.26Å; S188-H190 PolarHBondContact O-N 3.11Å; H190-E194 IonicContact CE1-OE1 3.21Å; H190-A411 HydrophobicContact CB-CB 3.93Å; H190-N414 PolarHBondContact CE1-ND2 2.9Å; H190-N414 PolarHBondContact ND1-ND2 2.94Å
191	Q	94.4	Very high	94	Very high	29 Å²	29	13.6 Å²	13.6	14%	0.136	7%	0.067	C	C	.	.	H	α-helix	trans	-71.9	-36.5	179.3	-62.2	-61.9	-38.6	0	0	112.9	W101 T149 N153 L187 S188 V189 L193 E194 N195	W101-Q191 HydrophobicContact CZ2-CG 4.18Å; T149-Q191 HydrophobicContact CG2-CB 3.71Å; T149-Q191 HydrophobicContact CG2-CG 4.33Å; N153-Q191 PolarHBondContact ND2-OE1 3.19Å; L187-Q191 PolarHBondContact O-N 3.36Å; S188-Q191 PolarHBondContact O-N 3.47Å; S188-Q191 VanDerWaalsContact O-N 3.11Å; V189-Q191 VanDerWaalsContact C-N 3.3Å; V189-Q191 PolarHBondContact O-N 3.16Å; Q191-L193 VanDerWaalsContact C-N 3.3Å; Q191-L193 PolarHBondContact O-N 3.23Å; Q191-E194 PolarHBondContact O-N 3.36Å; Q191-N195 WeakPolarHBondContact O-CB 3.31Å; Q191-N195 PolarHBondContact O-N 3.45Å; Q191-N195 PolarHBondContact O-ND2 2.76Å
192	L	94.4	Very high	94.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.8	-36	177.9	-69	171.5	0	0	0	112.1	L139 I152 T166 S188 V189 E194 T196 H264 F265	L139-L192 HydrophobicContact CD1-CD1 4.01Å; L139-L192 HydrophobicContact CD2-CD1 3.73Å; I152-L192 HydrophobicContact CD1-CD2 3.64Å; T166-L192 HydrophobicContact CG2-CD2 3.93Å; S188-L192 VanDerWaalsContact O-CG 3.29Å; S188-L192 WeakPolarHBondContact O-CG 3.42Å; S188-L192 PolarHBondContact O-N 3Å; V189-L192 PolarHBondContact O-N 3.28Å; L192-E194 PolarHBondContact O-N 2.73Å; L192-T196 HydrophobicContact CB-CG2 4.39Å; L192-T196 HydrophobicContact CD2-CG2 3.55Å; L192-T196 PolarHBondContact O-N 2.87Å; L192-T196 VanDerWaalsContact O-N 3.16Å; L192-T196 PolarHBondContact O-OG1 2.8Å; L192-H264 PolarHBondContact O-NE2 3.26Å; L192-F265 HydrophobicContact CB-CE1 4.42Å
193	L	92.9	Very high	94.1	Very high	8 Å²	8	12.1 Å²	12.1	4%	0.042	6%	0.06	C	C	.	.	H	α-helix	trans	-59.2	-33.5	-178.4	-174.7	66	0	0	0	113.2	V189 Q191 R262 H264 F265 L418	V189-L193 WeakPolarHBondContact O-CB 3.4Å; V189-L193 PolarHBondContact O-N 3.45Å; Q191-L193 VanDerWaalsContact C-N 3.3Å; Q191-L193 PolarHBondContact O-N 3.23Å; L193-R262 HydrophobicContact CD1-CB 3.95Å; L193-R262 HydrophobicContact CD1-CG 4.24Å; L193-R262 WeakPolarHBondContact CD1-O 3.36Å; L193-R262 HydrophobicContact CG-CG 4.49Å; L193-H264 PolarHBondContact O-CE1 2.84Å; L193-F265 HydrophobicContact CD1-CE2 3.85Å; L193-F265 HydrophobicContact CD1-CZ 4.41Å; L193-L418 HydrophobicContact CD1-CD1 3.76Å; L193-L418 HydrophobicContact CD1-CD2 4.23Å; L193-L418 HydrophobicContact CD1-CG 4.46Å
194	E	89.2	Confident	93.8	Very high	111 Å²	111	13.2 Å²	13.2	52%	0.519	7%	0.065	S	C	.	.	H	α-helix	trans	-98.2	-31.8	-176	-66.1	178.8	-174.9	0	0	112.6	H190 Q191 L192	H190-E194 IonicContact CE1-OE1 3.21Å; Q191-E194 PolarHBondContact O-N 3.36Å; L192-E194 PolarHBondContact O-N 2.73Å
195	N	93	Very high	93.5	Very high	28 Å²	28	14.8 Å²	14.8	15%	0.15	7%	0.073	C	C	.	.	H	α-helix	trans	-110.1	-0.6	-165.4	-59.7	-70.7	0	0	0	114.6	I152 N153 Q191	I152-N195 HydrophobicContact CG2-CB 3.56Å; N153-N195 PolarHBondContact OD1-ND2 2.97Å; Q191-N195 WeakPolarHBondContact O-CB 3.31Å; Q191-N195 PolarHBondContact O-N 3.45Å; Q191-N195 PolarHBondContact O-ND2 2.76Å
196	T	94.3	Very high	93.3	Very high	6 Å²	6	15.1 Å²	15.1	4%	0.037	8%	0.076	C	C	.	.			trans	-117.4	145.6	178.1	72	0	0	0	0	112.6	I152 M164 T166 L192 T199 H264	I152-T196 HydrophobicContact CD1-CG2 4.16Å; I152-T196 HydrophobicContact CG2-CG2 3.89Å; M164-T196 HydrophobicContact CG-CG2 3.96Å; T166-T196 HydrophobicContact CG2-CG2 3.56Å; L192-T196 HydrophobicContact CB-CG2 4.39Å; L192-T196 HydrophobicContact CD2-CG2 3.55Å; L192-T196 PolarHBondContact O-N 2.87Å; L192-T196 VanDerWaalsContact O-N 3.16Å; L192-T196 PolarHBondContact O-OG1 2.8Å; T196-T199 PolarHBondContact OG1-OG1 3.33Å; T196-H264 PolarHBondContact O-CE1 3.44Å; T196-H264 PolarHBondContact OG1-CD2 3.47Å; T196-H264 PolarHBondContact OG1-NE2 3.17Å
197	D	93.9	Very high	93.1	Very high	35 Å²	35	15.1 Å²	15.1	19%	0.187	8%	0.076	C	C	.	.	S	Bend	trans	-93.4	-30.6	178	-55.6	-68	0	0	0	111	R156 I163 M164 H264	R156-D197 IonicContact CZ-OD1 3.46Å; R156-D197 IonicContact CZ-OD2 3.39Å; R156-D197 IonicContact NH1-OD1 2.74Å; R156-D197 PolarHBondContact NH1-OD1 3.4Å; R156-D197 IonicContact NH1-OD2 2.9Å; R156-D197 PolarHBondContact NH1-OD2 3.11Å; R156-D197 IonicContact NH2-OD1 3.23Å; R156-D197 PolarHBondContact NH2-OD1 3.4Å; I163-D197 VanDerWaalsContact CA-OD2 3.31Å; I163-D197 WeakPolarHBondContact CA-OD2 3.32Å; I163-D197 HydrophobicContact CD1-CB 4.26Å; I163-D197 HydrophobicContact CG2-CB 4.27Å; M164-D197 PolarHBondContact N-OD2 3.29Å; M164-D197 PolarHBondContact O-N 3.13Å; D197-H264 VanDerWaalsContact O-CB 3.24Å; D197-H264 WeakPolarHBondContact O-CB 2.97Å
198	E	93.6	Very high	92.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	128.6	175.7	-58.1	-178.7	169.5	0	0	111.1	M164 N165 T166 F200 A254 F266	M164-E198 PolarHBondContact O-N 3.31Å; N165-E198 CarbonylContact C-O 3.57Å; N165-E198 WeakPolarHBondContact CA-O 3.46Å; N165-E198 PolarHBondContact ND2-OE2 2.98Å; N165-E198 WeakPolarHBondContact OD1-CB 3.29Å; N165-E198 PolarHBondContact OD1-OE2 3Å; T166-E198 PolarHBondContact N-O 3.37Å; E198-F200 HydrophobicContact CB-CE2 4.37Å; E198-A254 HydrophobicContact CG-CB 4.07Å; E198-A254 WeakPolarHBondContact OE1-CA 3.4Å; E198-A254 VanDerWaalsContact OE1-CB 3.26Å; E198-A254 WeakPolarHBondContact OE1-CB 3.47Å; E198-A254 PolarHBondContact OE1-N 2.81Å; E198-F266 HydrophobicContact CB-CD2 4.39Å; E198-F266 HydrophobicContact CB-CE2 3.72Å; E198-F266 HydrophobicContact CG-CE2 3.76Å; E198-F266 HydrophobicContact CG-CZ 4.27Å
199	T	95.5	Very high	92.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.9	175	-71.6	0	0	0	0	111.1	T166 T196 C201 H264 F265 F266	T166-T199 WeakPolarHBondContact OG1-CB 3.26Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.36Å; T166-T199 PolarHBondContact OG1-OG1 3.44Å; T196-T199 PolarHBondContact OG1-OG1 3.33Å; T199-C201 PolarHBondContact O-N 3.43Å; T199-H264 PolarHBondContact N-O 2.8Å; T199-F265 HydrophobicContact CG2-CD1 3.59Å; T199-F265 HydrophobicContact CG2-CE1 3.8Å; T199-F265 CarbonylContact O-C 3.46Å; T199-F265 WeakPolarHBondContact O-CA 3.17Å; T199-F266 PolarHBondContact O-N 2.78Å
200	F	95.5	Very high	92.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	107.8	174.1	-61.8	-86.3	0	0	0	109.6	T166 F167 S168 E198 I202 V236 F266 I368	T166-F200 PolarHBondContact O-N 3.08Å; F167-F200 HydrophobicContact CD1-CB 3.72Å; F167-F200 HydrophobicContact CD1-CD2 4.08Å; F167-F200 HydrophobicContact CD1-CG 4.04Å; F167-F200 HydrophobicContact CD2-CD2 4.4Å; F167-F200 HydrophobicContact CE1-CB 3.88Å; F167-F200 HydrophobicContact CE1-CD1 4.37Å; F167-F200 AromaticContact CE1-CD2 3.65Å; F167-F200 HydrophobicContact CE1-CD2 3.65Å; F167-F200 HydrophobicContact CE1-CE2 4.33Å; F167-F200 AromaticContact CE1-CG 3.69Å; F167-F200 HydrophobicContact CE1-CG 3.69Å; F167-F200 AromaticContact CE2-CD2 3.93Å; F167-F200 HydrophobicContact CE2-CD2 3.93Å; F167-F200 HydrophobicContact CE2-CE2 4.29Å; F167-F200 HydrophobicContact CG-CB 4.41Å; F167-F200 HydrophobicContact CG-CD2 4.45Å; F167-F200 AromaticContact CZ-CD2 3.58Å; F167-F200 HydrophobicContact CZ-CD2 3.58Å; F167-F200 AromaticContact CZ-CE2 3.89Å; F167-F200 HydrophobicContact CZ-CE2 3.89Å; F167-F200 HydrophobicContact CZ-CG 4.1Å; S168-F200 PolarHBondContact N-O 3.26Å; E198-F200 HydrophobicContact CB-CE2 4.37Å; F200-I202 PolarHBondContact O-N 3.12Å; F200-V236 HydrophobicContact CD1-CG1 4.49Å; F200-V236 HydrophobicContact CD1-CG2 4.31Å; F200-V236 HydrophobicContact CE1-CG1 3.68Å; F200-V236 HydrophobicContact CE1-CG2 4.02Å; F200-V236 HydrophobicContact CE2-CG1 4.04Å; F200-V236 HydrophobicContact CZ-CG1 3.44Å; F200-V236 VanDerWaalsContact CZ-CG1 3.44Å; F200-F266 HydrophobicContact CD1-CB 4.06Å; F200-F266 HydrophobicContact CD1-CD2 4.02Å; F200-F266 HydrophobicContact CE1-CB 4.34Å; F200-F266 AromaticContact CE1-CD2 3.64Å; F200-F266 HydrophobicContact CE1-CD2 3.64Å; F200-F266 HydrophobicContact CE1-CE2 4.45Å; F200-F266 HydrophobicContact CE1-CG 4.43Å; F200-F266 HydrophobicContact CE2-CD2 4.45Å; F200-F266 AromaticContact CZ-CD2 3.86Å; F200-F266 HydrophobicContact CZ-CD2 3.86Å; F200-F266 HydrophobicContact CZ-CE2 4.29Å; F200-I368 HydrophobicContact CD1-CG2 4.4Å; F200-I368 HydrophobicContact CE1-CD1 4.1Å; F200-I368 HydrophobicContact CE1-CG1 4.26Å; F200-I368 HydrophobicContact CE1-CG2 3.75Å
201	C	94.6	Very high	92.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.1	180	-65.4	0	0	0	0	110.4	M170 T199 F266 P268 I374	M170-C201 HydrophobicContact CE-CB 4.06Å; M170-C201 WeakPolarHBondContact CE-SG 3.29Å; T199-C201 PolarHBondContact O-N 3.43Å; C201-F266 WeakPolarHBondContact CB-O 3.43Å; C201-F266 PolarHBondContact N-O 3.02Å; C201-P268 WeakPolarHBondContact O-CD 3.27Å; C201-I374 HydrophobicContact CB-CD1 3.91Å
202	I	93.9	Very high	91.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.5	177.7	-66.1	157.3	0	0	0	108.1	F167 S168 I169 M170 F200 L207 V229 P268	F167-I202 HydrophobicContact CB-CD1 4.29Å; F167-I202 HydrophobicContact CD1-CD1 4.04Å; S168-I202 PolarHBondContact O-N 2.83Å; I169-I202 CarbonylContact C-O 3.2Å; I169-I202 VanDerWaalsContact CA-O 3.3Å; I169-I202 WeakPolarHBondContact CA-O 3.49Å; I169-I202 HydrophobicContact CG1-CB 4.41Å; I169-I202 HydrophobicContact CG1-CG2 4.38Å; M170-I202 PolarHBondContact N-O 3.22Å; F200-I202 PolarHBondContact O-N 3.12Å; I202-L207 HydrophobicContact CG2-CD1 3.6Å; I202-L207 HydrophobicContact CG2-CG 4.2Å; I202-V229 HydrophobicContact CD1-CG1 3.64Å; I202-V229 HydrophobicContact CG2-CG2 3.7Å; I202-P268 HydrophobicContact CG1-CG 4.1Å
203	D	92	Very high	91.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.9	-177.4	-168	-13.9	0	0	0	111.6	M170 E205 A206 L207 M300 A302 I377 R380	M170-D203 HydrophobicContact CB-CB 4.42Å; D203-E205 PolarHBondContact O-N 3.46Å; D203-E205 VanDerWaalsContact OD1-CB 3.27Å; D203-E205 WeakPolarHBondContact OD1-CB 3.45Å; D203-E205 PolarHBondContact OD1-N 3.46Å; D203-A206 HydrophobicContact CB-CB 4.17Å; D203-A206 PolarHBondContact O-N 3.04Å; D203-A206 VanDerWaalsContact O-N 3.1Å; D203-L207 WeakPolarHBondContact O-CG 3.11Å; D203-L207 PolarHBondContact O-N 3.47Å; D203-M300 PolarHBondContact N-O 2.87Å; D203-A302 HydrophobicContact CB-CB 4.4Å; D203-A302 WeakPolarHBondContact OD2-CB 3.11Å; D203-A302 PolarHBondContact OD2-N 2.92Å; D203-I377 HydrophobicContact CB-CD1 4.48Å; D203-R380 IonicContact OD1-NH2 2.96Å; D203-R380 IonicContact OD2-CZ 2.7Å; D203-R380 VanDerWaalsContact OD2-CZ 3.3Å; D203-R380 IonicContact OD2-NH1 3.3Å; D203-R380 PolarHBondContact OD2-NH1 3.12Å; D203-R380 IonicContact OD2-NH2 3.39Å; D203-R380 PolarHBondContact OD2-NH2 2.98Å
204	N	88.7	Confident	91.1	Very high	23 Å²	23	30.6 Å²	30.6	12%	0.123	14%	0.141	C	C	.	.	H	α-helix	trans	-58	-30.4	174.1	-80.2	-23.9	0	0	0	112.6	I169 V175 Y208	I169-N204 WeakPolarHBondContact CG2-ND2 3.28Å; I169-N204 WeakPolarHBondContact CG2-OD1 3.4Å; V175-N204 HydrophobicContact CB-CB 4.11Å; V175-N204 HydrophobicContact CG1-CB 4.24Å; V175-N204 HydrophobicContact CG2-CB 4Å; N204-Y208 VanDerWaalsContact O-CB 3.29Å; N204-Y208 WeakPolarHBondContact O-CB 3.23Å; N204-Y208 PolarHBondContact O-N 3.09Å
205	E	88.2	Confident	90.9	Very high	33 Å²	33	26.9 Å²	26.9	15%	0.154	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-48.2	174.1	-177.4	154.6	-175.2	0	0	111.8	S172 K174 D203 Y208 D209 A302 R380	S172-E205 WeakPolarHBondContact OG-CB 3.3Å; K174-E205 HydrophobicContact CD-CG 4Å; K174-E205 VanDerWaalsContact CE-OE1 3.22Å; K174-E205 WeakPolarHBondContact CE-OE1 3.49Å; K174-E205 IonicContact NZ-OE1 3.84Å; K174-E205 PolarHBondContact NZ-OE1 3.31Å; D203-E205 PolarHBondContact O-N 3.46Å; D203-E205 VanDerWaalsContact OD1-CB 3.27Å; D203-E205 WeakPolarHBondContact OD1-CB 3.45Å; D203-E205 PolarHBondContact OD1-N 3.46Å; E205-Y208 PolarHBondContact O-N 2.64Å; E205-D209 PolarHBondContact O-N 3.3Å; E205-A302 HydrophobicContact CB-CB 4.05Å; E205-A302 HydrophobicContact CG-CB 4.03Å; E205-R380 IonicContact OE2-CZ 2.66Å; E205-R380 IonicContact OE2-NH1 3.65Å; E205-R380 PolarHBondContact OE2-NH1 3.46Å
206	A	90.5	Very high	90.7	Very high	8 Å²	8	32.7 Å²	32.7	7%	0.066	15%	0.148	C	C	.	.	H	α-helix	trans	-67.5	-43.2	-179.8	0	0	0	0	0	111.3	D203 Y208 D209 I210 A302	D203-A206 HydrophobicContact CB-CB 4.17Å; D203-A206 PolarHBondContact O-N 3.04Å; D203-A206 VanDerWaalsContact O-N 3.1Å; A206-Y208 VanDerWaalsContact C-N 3.32Å; A206-Y208 PolarHBondContact O-N 3.3Å; A206-D209 PolarHBondContact O-N 3.01Å; A206-I210 WeakPolarHBondContact O-CB 3.2Å; A206-I210 VanDerWaalsContact O-CG1 3.29Å; A206-I210 WeakPolarHBondContact O-CG1 3.22Å; A206-I210 PolarHBondContact O-N 2.73Å; A206-A302 HydrophobicContact CB-CB 4.07Å
207	L	91.1	Very high	90.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-44.5	175.2	-67.6	174.8	0	0	0	111.8	I202 D203 I210 C211 L225 L228 V229 M300	I202-L207 HydrophobicContact CG2-CD1 3.6Å; I202-L207 HydrophobicContact CG2-CG 4.2Å; D203-L207 WeakPolarHBondContact O-CG 3.11Å; D203-L207 PolarHBondContact O-N 3.47Å; L207-I210 PolarHBondContact O-N 3.39Å; L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 2.93Å; L207-C211 PolarHBondContact O-SG 3.46Å; L207-C211 VanDerWaalsContact O-SG 3.41Å; L207-L225 HydrophobicContact CB-CB 4.44Å; L207-L225 HydrophobicContact CB-CD2 3.94Å; L207-L225 HydrophobicContact CB-CG 3.95Å; L207-L225 HydrophobicContact CD1-CB 4.31Å; L207-L225 HydrophobicContact CD1-CD2 4.4Å; L207-L228 HydrophobicContact CD2-CB 3.87Å; L207-L228 HydrophobicContact CD2-CD1 4.18Å; L207-V229 HydrophobicContact CD1-CG2 3.51Å; L207-V229 HydrophobicContact CD2-CG2 4.06Å; L207-V229 HydrophobicContact CG-CG2 4.45Å; L207-M300 HydrophobicContact CD2-SD 3.41Å; L207-M300 WeakPolarHBondContact CD2-SD 3.33Å
208	Y	89.3	Confident	89.8	Confident	74 Å²	74	38.9 Å²	38.9	29%	0.29	19%	0.185	S	C	.	.	H	α-helix	trans	-63.6	-46.7	177.3	-171.9	-86.8	0	0	0	111.5	V175 N204 E205 A206 I210 C211 F212 P220	V175-Y208 HydrophobicContact CG2-CD2 4.29Å; V175-Y208 HydrophobicContact CG2-CG 4.39Å; N204-Y208 VanDerWaalsContact O-CB 3.29Å; N204-Y208 WeakPolarHBondContact O-CB 3.23Å; N204-Y208 PolarHBondContact O-N 3.09Å; E205-Y208 PolarHBondContact O-N 2.64Å; A206-Y208 VanDerWaalsContact C-N 3.32Å; A206-Y208 PolarHBondContact O-N 3.3Å; Y208-I210 VanDerWaalsContact C-N 3.33Å; Y208-I210 PolarHBondContact O-N 2.7Å; Y208-C211 PolarHBondContact O-N 3.06Å; Y208-F212 HydrophobicContact CE1-CB 4.29Å; Y208-F212 WeakPolarHBondContact O-CB 3.32Å; Y208-F212 PolarHBondContact O-N 2.9Å; Y208-P220 HydrophobicContact CD2-CB 4.03Å; Y208-P220 HydrophobicContact CD2-CG 4.07Å; Y208-P220 HydrophobicContact CE2-CB 3.99Å; Y208-P220 HydrophobicContact CE2-CG 3.77Å
209	D	89.9	Confident	89.4	Confident	37 Å²	37	44 Å²	44	20%	0.198	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-36.8	178.3	-88.4	-40.2	0	0	0	112.1	K174 E205 A206 R213	K174-D209 IonicContact NZ-OD2 3.47Å; K174-D209 PolarHBondContact NZ-OD2 2.87Å; E205-D209 PolarHBondContact O-N 3.3Å; A206-D209 PolarHBondContact O-N 3.01Å; D209-R213 WeakPolarHBondContact O-CA 3.45Å; D209-R213 WeakPolarHBondContact O-CB 3.36Å; D209-R213 WeakPolarHBondContact O-CG 3.42Å; D209-R213 PolarHBondContact O-N 3.42Å; D209-R213 IonicContact OD1-CZ 2.85Å; D209-R213 VanDerWaalsContact OD1-CZ 3.24Å; D209-R213 IonicContact OD1-NE 2.78Å; D209-R213 PolarHBondContact OD1-NE 3.49Å; D209-R213 IonicContact OD1-NH2 2.92Å; D209-R213 PolarHBondContact OD1-NH2 3.16Å; D209-R213 IonicContact OD2-NH2 3.63Å; D209-R213 PolarHBondContact OD2-NH2 2.99Å
210	I	89.8	Confident	88.9	Confident	4 Å²	4	45 Å²	45	2%	0.021	22%	0.223	C	C	.	.	I	π-helix	trans	-63.2	-51.1	172.9	-73.1	166.4	0	0	0	110.8	A206 L207 Y208 F212 T214 L215 L228 L273 R297 M299 M300	A206-I210 WeakPolarHBondContact O-CB 3.2Å; A206-I210 VanDerWaalsContact O-CG1 3.29Å; A206-I210 WeakPolarHBondContact O-CG1 3.22Å; A206-I210 PolarHBondContact O-N 2.73Å; L207-I210 PolarHBondContact O-N 3.39Å; Y208-I210 VanDerWaalsContact C-N 3.33Å; Y208-I210 PolarHBondContact O-N 2.7Å; I210-F212 VanDerWaalsContact C-N 3.33Å; I210-F212 PolarHBondContact O-N 3.2Å; I210-T214 WeakPolarHBondContact O-CA 3.48Å; I210-T214 VanDerWaalsContact O-CB 3.22Å; I210-T214 WeakPolarHBondContact O-CB 3.01Å; I210-T214 PolarHBondContact O-N 2.86Å; I210-L215 PolarHBondContact O-N 2.79Å; I210-L228 HydrophobicContact CB-CD1 4.24Å; I210-L228 HydrophobicContact CG2-CD1 3.66Å; I210-L273 HydrophobicContact CD1-CD1 4.19Å; I210-L273 HydrophobicContact CG1-CD1 4.41Å; I210-L273 HydrophobicContact CG2-CD1 3.77Å; I210-L273 HydrophobicContact CG2-CD2 4.24Å; I210-L273 HydrophobicContact CG2-CG 4.49Å; I210-R297 VanDerWaalsContact CG1-O 3.3Å; I210-R297 WeakPolarHBondContact CG1-O 3.5Å; I210-M299 WeakPolarHBondContact CD1-O 3.37Å; I210-M300 HydrophobicContact CD1-CE 4.27Å; I210-M300 HydrophobicContact CD1-SD 3.59Å; I210-M300 VanDerWaalsContact CD1-SD 3.59Å
211	C	89.3	Confident	88.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-59.4	-45.1	-180	-76.8	0	0	0	0	111.8	L207 Y208 L215 K216 L217 P220 L228	L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 2.93Å; L207-C211 PolarHBondContact O-SG 3.46Å; L207-C211 VanDerWaalsContact O-SG 3.41Å; Y208-C211 PolarHBondContact O-N 3.06Å; C211-L215 CarbonylContact O-C 3.57Å; C211-L215 WeakPolarHBondContact O-CB 3.48Å; C211-K216 PolarHBondContact O-N 2.88Å; C211-L217 HydrophobicContact CB-CD1 4.25Å; C211-L217 WeakPolarHBondContact O-CB 3.35Å; C211-L217 PolarHBondContact O-N 3.34Å; C211-P220 HydrophobicContact CB-CB 3.71Å; C211-P220 HydrophobicContact CB-CG 3.76Å; C211-L228 VanDerWaalsContact SG-CD1 3.51Å
212	F	88.3	Confident	88.2	Confident	99 Å²	99	54.2 Å²	54.2	43%	0.434	27%	0.267	S	S	.	.	I	π-helix	trans	-75.5	-51	-176.7	-173.4	-103.4	0	0	0	112.6	Y208 I210 K216 L217 P220	Y208-F212 HydrophobicContact CE1-CB 4.29Å; Y208-F212 WeakPolarHBondContact O-CB 3.32Å; Y208-F212 PolarHBondContact O-N 2.9Å; I210-F212 VanDerWaalsContact C-N 3.33Å; I210-F212 PolarHBondContact O-N 3.2Å; F212-K216 WeakPolarHBondContact O-CA 3.47Å; F212-L217 VanDerWaalsContact CD2-O 3.3Å; F212-L217 WeakPolarHBondContact CD2-O 3.39Å; F212-P220 HydrophobicContact CB-CG 4.21Å
213	R	86.6	Confident	87.8	Confident	149 Å²	149	56.1 Å²	56.1	56%	0.562	29%	0.287	S	S	*	.	I	π-helix	trans	-86.2	-41.5	-172.1	-56.8	-176.9	-165.2	-170.1	7.8	113	D209 K216	D209-R213 WeakPolarHBondContact O-CA 3.45Å; D209-R213 WeakPolarHBondContact O-CB 3.36Å; D209-R213 WeakPolarHBondContact O-CG 3.42Å; D209-R213 PolarHBondContact O-N 3.42Å; D209-R213 IonicContact OD1-CZ 2.85Å; D209-R213 VanDerWaalsContact OD1-CZ 3.24Å; D209-R213 IonicContact OD1-NE 2.78Å; D209-R213 PolarHBondContact OD1-NE 3.49Å; D209-R213 IonicContact OD1-NH2 2.92Å; D209-R213 PolarHBondContact OD1-NH2 3.16Å; D209-R213 IonicContact OD2-NH2 3.63Å; D209-R213 PolarHBondContact OD2-NH2 2.99Å; R213-K216 WeakPolarHBondContact O-CD 3.39Å; R213-K216 WeakPolarHBondContact O-CE 3.29Å; R213-K216 PolarHBondContact O-NZ 3.45Å
214	T	85.8	Confident	87.7	Confident	34 Å²	34	57.9 Å²	57.9	21%	0.209	30%	0.296	C	S	.	.	I	π-helix	trans	-90.3	-50.7	-173.6	-55.8	0	0	0	0	111.1	I210 K216 L273 P275	I210-T214 WeakPolarHBondContact O-CA 3.48Å; I210-T214 VanDerWaalsContact O-CB 3.22Å; I210-T214 WeakPolarHBondContact O-CB 3.01Å; I210-T214 PolarHBondContact O-N 2.86Å; T214-K216 VanDerWaalsContact C-N 3.31Å; T214-K216 PolarHBondContact O-N 2.81Å; T214-L273 HydrophobicContact CG2-CB 3.91Å; T214-P275 WeakPolarHBondContact O-CG 3.49Å
215	L	86.1	Confident	87.7	Confident	33 Å²	33	57 Å²	57	17%	0.173	29%	0.292	C	S	.	.	S	Bend	trans	-81.5	-9.3	179.9	-59.9	-179.9	0	0	0	113.9	I210 C211 L217 L228 T274	I210-L215 PolarHBondContact O-N 2.79Å; C211-L215 CarbonylContact O-C 3.57Å; C211-L215 WeakPolarHBondContact O-CB 3.48Å; L215-L217 VanDerWaalsContact C-N 3.27Å; L215-L217 HydrophobicContact CB-CD1 4.39Å; L215-L217 HydrophobicContact CB-CG 4.11Å; L215-L217 PolarHBondContact O-N 3.11Å; L215-L228 HydrophobicContact CD1-CD1 4.44Å; L215-L228 HydrophobicContact CD1-CD2 4.24Å; L215-T274 WeakPolarHBondContact CD2-O 3.23Å
216	K	87.4	Confident	87.9	Confident	151 Å²	151	56 Å²	56	66%	0.657	29%	0.287	S	S	*	.			trans	59.8	33.6	179.2	-54.8	-59.3	-174.6	-165.6	0	113.5	C211 F212 R213 T214 P275	C211-K216 PolarHBondContact O-N 2.88Å; F212-K216 WeakPolarHBondContact O-CA 3.47Å; R213-K216 WeakPolarHBondContact O-CD 3.39Å; R213-K216 WeakPolarHBondContact O-CE 3.29Å; R213-K216 PolarHBondContact O-NZ 3.45Å; T214-K216 VanDerWaalsContact C-N 3.31Å; T214-K216 PolarHBondContact O-N 2.81Å; K216-P275 HydrophobicContact CG-CG 4.5Å
217	L	85.7	Confident	87.8	Confident	54 Å²	54	59.7 Å²	59.7	28%	0.283	30%	0.303	S	S	.	.			trans	-81.5	122	172.3	-59.1	178	0	0	0	109	C211 F212 L215 T219 P220 D224	C211-L217 HydrophobicContact CB-CD1 4.25Å; C211-L217 WeakPolarHBondContact O-CB 3.35Å; C211-L217 PolarHBondContact O-N 3.34Å; F212-L217 VanDerWaalsContact CD2-O 3.3Å; F212-L217 WeakPolarHBondContact CD2-O 3.39Å; L215-L217 VanDerWaalsContact C-N 3.27Å; L215-L217 HydrophobicContact CB-CD1 4.39Å; L215-L217 HydrophobicContact CB-CG 4.11Å; L215-L217 PolarHBondContact O-N 3.11Å; L217-T219 VanDerWaalsContact C-N 3.34Å; L217-P220 HydrophobicContact CB-CG 4.5Å; L217-D224 HydrophobicContact CD1-CB 4.03Å
218	T	83.8	Confident	87.8	Confident	116 Å²	116	60 Å²	60	71%	0.712	31%	0.305	S	S	*	.	S	Bend	trans	-69.5	-32.4	-178.2	49	0	0	0	0	112.8
219	T	85	Confident	88	Confident	108 Å²	108	56.6 Å²	56.6	66%	0.663	29%	0.291	S	S	*	.	S	Bend	trans	-136.8	85	-179.8	43.1	0	0	0	0	109.5	L217 T221	L217-T219 VanDerWaalsContact C-N 3.34Å; T219-T221 PolarHBondContact O-N 3.16Å
220	P	86.1	Confident	88.1	Confident	20 Å²	20	54.8 Å²	54.8	13%	0.13	28%	0.282	C	S	.	.			trans	-60.1	129.3	177.1	-23.1	34.4	0	0	0	111.5	Y208 C211 F212 L217 L225	Y208-P220 HydrophobicContact CD2-CB 4.03Å; Y208-P220 HydrophobicContact CD2-CG 4.07Å; Y208-P220 HydrophobicContact CE2-CB 3.99Å; Y208-P220 HydrophobicContact CE2-CG 3.77Å; C211-P220 HydrophobicContact CB-CB 3.71Å; C211-P220 HydrophobicContact CB-CG 3.76Å; F212-P220 HydrophobicContact CB-CG 4.21Å; L217-P220 HydrophobicContact CB-CG 4.5Å; P220-L225 HydrophobicContact CB-CD1 4.07Å
221	T	88.6	Confident	88.1	Confident	78 Å²	78	55.8 Å²	55.8	48%	0.479	29%	0.287	S	S	.	.			trans	-101.4	159.9	174.7	67.9	0	0	0	0	110.9	T219 G223 D224 L225	T219-T221 PolarHBondContact O-N 3.16Å; T221-G223 PolarHBondContact O-N 3.19Å; T221-G223 VanDerWaalsContact O-N 3.09Å; T221-G223 PolarHBondContact OG1-N 3.19Å; T221-D224 PolarHBondContact N-OD2 2.69Å; T221-D224 WeakPolarHBondContact O-CA 3.29Å; T221-D224 WeakPolarHBondContact O-CB 3.4Å; T221-D224 PolarHBondContact O-N 3.44Å; T221-D224 PolarHBondContact OG1-N 3.22Å; T221-D224 PolarHBondContact OG1-OD2 3.43Å; T221-L225 WeakPolarHBondContact O-CD1 3.44Å; T221-L225 PolarHBondContact O-N 3.04Å; T221-L225 VanDerWaalsContact O-N 3.17Å
222	Y	85.5	Confident	88.2	Confident	117 Å²	117	55.8 Å²	55.8	46%	0.459	29%	0.287	S	S	.	.	H	α-helix	trans	-54.7	-29.5	172.4	-78	-67.6	0	0	0	112.9	V175 D224 L225 N226	V175-Y222 HydrophobicContact CG1-CE1 3.78Å; V175-Y222 WeakPolarHBondContact CG1-OH 3.41Å; V175-Y222 PolarHBondContact O-OH 3.45Å; Y222-D224 VanDerWaalsContact C-N 3.32Å; Y222-D224 PolarHBondContact O-N 3.26Å; Y222-L225 PolarHBondContact O-N 3.28Å; Y222-N226 VanDerWaalsContact O-CB 3.22Å; Y222-N226 WeakPolarHBondContact O-CB 3.37Å; Y222-N226 PolarHBondContact O-N 3.21Å; Y222-N226 PolarHBondContact O-ND2 3.06Å; Y222-N226 PolarHBondContact O-OD1 3.21Å
223	G	87.1	Confident	88.4	Confident	40 Å²	40	51.1 Å²	51.1	41%	0.412	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-37.7	172.8	0	0	0	0	0	113.3	T221 H227	T221-G223 PolarHBondContact O-N 3.19Å; T221-G223 VanDerWaalsContact O-N 3.09Å; T221-G223 PolarHBondContact OG1-N 3.19Å; G223-H227 WeakPolarHBondContact O-CB 3.35Å; G223-H227 PolarHBondContact O-N 2.91Å; G223-H227 VanDerWaalsContact O-N 3.07Å
224	D	88.6	Confident	88.7	Confident	38 Å²	38	44 Å²	44	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-72.5	-42.2	177.5	-56.8	-58.9	0	0	0	111.5	L217 T221 Y222 H227 L228	L217-D224 HydrophobicContact CD1-CB 4.03Å; T221-D224 PolarHBondContact N-OD2 2.69Å; T221-D224 WeakPolarHBondContact O-CA 3.29Å; T221-D224 WeakPolarHBondContact O-CB 3.4Å; T221-D224 PolarHBondContact O-N 3.44Å; T221-D224 PolarHBondContact OG1-N 3.22Å; T221-D224 PolarHBondContact OG1-OD2 3.43Å; Y222-D224 VanDerWaalsContact C-N 3.32Å; Y222-D224 PolarHBondContact O-N 3.26Å; D224-H227 WeakPolarHBondContact O-CB 3.49Å; D224-H227 PolarHBondContact O-N 3.07Å; D224-L228 PolarHBondContact O-N 3.27Å
225	L	90.3	Very high	88.9	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-50.6	175.1	-76.9	79.8	0	0	0	110.4	L207 P220 T221 Y222 H227 L228 V229	L207-L225 HydrophobicContact CB-CB 4.44Å; L207-L225 HydrophobicContact CB-CD2 3.94Å; L207-L225 HydrophobicContact CB-CG 3.95Å; L207-L225 HydrophobicContact CD1-CB 4.31Å; L207-L225 HydrophobicContact CD1-CD2 4.4Å; P220-L225 HydrophobicContact CB-CD1 4.07Å; T221-L225 WeakPolarHBondContact O-CD1 3.44Å; T221-L225 PolarHBondContact O-N 3.04Å; T221-L225 VanDerWaalsContact O-N 3.17Å; Y222-L225 PolarHBondContact O-N 3.28Å; L225-H227 PolarHBondContact O-N 2.99Å; L225-L228 WeakPolarHBondContact O-CB 3.38Å; L225-L228 PolarHBondContact O-N 3.4Å; L225-L228 VanDerWaalsContact O-N 3.07Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.02Å
226	N	91.4	Very high	89	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-30.8	179.8	-65.9	-13.2	0	0	0	111.9	Q15 I16 K19 Y222 V229 S230	Q15-N226 PolarHBondContact OE1-ND2 3.42Å; I16-N226 HydrophobicContact CG1-CB 4.32Å; I16-N226 VanDerWaalsContact CG1-OD1 3.3Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.41Å; K19-N226 HydrophobicContact CG-CB 4.18Å; Y222-N226 VanDerWaalsContact O-CB 3.22Å; Y222-N226 WeakPolarHBondContact O-CB 3.37Å; Y222-N226 PolarHBondContact O-N 3.21Å; Y222-N226 PolarHBondContact O-ND2 3.06Å; Y222-N226 PolarHBondContact O-OD1 3.21Å; N226-V229 PolarHBondContact O-N 3.05Å; N226-S230 WeakPolarHBondContact O-CB 3.49Å; N226-S230 PolarHBondContact O-N 2.85Å; N226-S230 PolarHBondContact O-OG 3.37Å
227	H	89.2	Confident	89.2	Confident	86 Å²	86	34 Å²	34	40%	0.398	19%	0.193	S	C	.	.	H	α-helix	trans	-64.1	-46	173.7	-175.2	53.6	0	0	0	111.9	G223 D224 L225 V229 S230 L231	G223-H227 WeakPolarHBondContact O-CB 3.35Å; G223-H227 PolarHBondContact O-N 2.91Å; G223-H227 VanDerWaalsContact O-N 3.07Å; D224-H227 WeakPolarHBondContact O-CB 3.49Å; D224-H227 PolarHBondContact O-N 3.07Å; L225-H227 PolarHBondContact O-N 2.99Å; H227-V229 VanDerWaalsContact C-N 3.32Å; H227-V229 PolarHBondContact O-N 3.34Å; H227-S230 WeakPolarHBondContact CA-OG 3.39Å; H227-S230 PolarHBondContact O-N 3.46Å; H227-S230 PolarHBondContact O-OG 2.84Å; H227-L231 WeakPolarHBondContact O-CG 3.48Å; H227-L231 PolarHBondContact O-N 2.95Å
228	L	90.4	Very high	89.3	Confident	6 Å²	6	31.4 Å²	31.4	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-41.2	175.3	-70.5	179.4	0	0	0	112.5	L207 I210 C211 L215 D224 L225 L231 T232 L273 M300	L207-L228 HydrophobicContact CD2-CB 3.87Å; L207-L228 HydrophobicContact CD2-CD1 4.18Å; I210-L228 HydrophobicContact CB-CD1 4.24Å; I210-L228 HydrophobicContact CG2-CD1 3.66Å; C211-L228 VanDerWaalsContact SG-CD1 3.51Å; L215-L228 HydrophobicContact CD1-CD1 4.44Å; L215-L228 HydrophobicContact CD1-CD2 4.24Å; D224-L228 PolarHBondContact O-N 3.27Å; L225-L228 WeakPolarHBondContact O-CB 3.38Å; L225-L228 PolarHBondContact O-N 3.4Å; L225-L228 VanDerWaalsContact O-N 3.07Å; L228-L231 PolarHBondContact O-N 3.19Å; L228-T232 PolarHBondContact O-N 2.78Å; L228-T232 VanDerWaalsContact O-N 3.11Å; L228-T232 PolarHBondContact O-OG1 3.34Å; L228-L273 HydrophobicContact CD2-CD2 3.55Å; L228-M300 HydrophobicContact CB-CE 4.16Å; L228-M300 HydrophobicContact CD2-CE 4.4Å
229	V	92.8	Very high	89.3	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-45.3	176.2	-179.4	0	0	0	0	110.9	I16 I202 L207 L225 N226 H227 L231 T232 M233	I16-V229 HydrophobicContact CD1-CG1 4.29Å; I16-V229 HydrophobicContact CG2-CB 4.21Å; I16-V229 HydrophobicContact CG2-CG1 3.48Å; I16-V229 VanDerWaalsContact CG2-CG1 3.48Å; I202-V229 HydrophobicContact CD1-CG1 3.64Å; I202-V229 HydrophobicContact CG2-CG2 3.7Å; L207-V229 HydrophobicContact CD1-CG2 3.51Å; L207-V229 HydrophobicContact CD2-CG2 4.06Å; L207-V229 HydrophobicContact CG-CG2 4.45Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.02Å; N226-V229 PolarHBondContact O-N 3.05Å; H227-V229 VanDerWaalsContact C-N 3.32Å; H227-V229 PolarHBondContact O-N 3.34Å; V229-L231 VanDerWaalsContact C-N 3.33Å; V229-L231 PolarHBondContact O-N 3.23Å; V229-T232 WeakPolarHBondContact O-CB 3.29Å; V229-T232 PolarHBondContact O-N 2.99Å; V229-T232 VanDerWaalsContact O-N 3.13Å; V229-M233 HydrophobicContact CG1-CG 4.19Å; V229-M233 HydrophobicContact CG1-SD 3.93Å; V229-M233 WeakPolarHBondContact O-CG 3.31Å; V229-M233 PolarHBondContact O-N 2.83Å
230	S	92.3	Very high	89.3	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-37.4	179.1	70.5	0	0	0	0	113.1	N226 H227 S234	N226-S230 WeakPolarHBondContact O-CB 3.49Å; N226-S230 PolarHBondContact O-N 2.85Å; N226-S230 PolarHBondContact O-OG 3.37Å; H227-S230 WeakPolarHBondContact CA-OG 3.39Å; H227-S230 PolarHBondContact O-N 3.46Å; H227-S230 PolarHBondContact O-OG 2.84Å; S230-S234 VanDerWaalsContact O-CB 3.28Å; S230-S234 WeakPolarHBondContact O-CB 3.09Å; S230-S234 PolarHBondContact O-N 2.9Å
231	L	90.4	Very high	89.4	Confident	24 Å²	24	21 Å²	21	13%	0.126	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-41	174.7	-70.8	174.4	0	0	0	111.6	H227 L228 V229 S234 G235 F270	H227-L231 WeakPolarHBondContact O-CG 3.48Å; H227-L231 PolarHBondContact O-N 2.95Å; L228-L231 PolarHBondContact O-N 3.19Å; V229-L231 VanDerWaalsContact C-N 3.33Å; V229-L231 PolarHBondContact O-N 3.23Å; L231-S234 PolarHBondContact O-N 2.79Å; L231-G235 PolarHBondContact O-N 2.82Å; L231-F270 HydrophobicContact CB-CD2 4.18Å; L231-F270 HydrophobicContact CB-CE1 4.5Å; L231-F270 HydrophobicContact CB-CE2 4.05Å; L231-F270 HydrophobicContact CB-CG 4.47Å; L231-F270 HydrophobicContact CB-CZ 4.22Å; L231-F270 HydrophobicContact CD1-CE1 4.15Å; L231-F270 HydrophobicContact CD1-CZ 4.37Å
232	T	91.6	Very high	89.3	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-64.7	-49.6	176.7	-57	0	0	0	0	110.8	L228 V229 S234 G235 V236 P268	L228-T232 PolarHBondContact O-N 2.78Å; L228-T232 VanDerWaalsContact O-N 3.11Å; L228-T232 PolarHBondContact O-OG1 3.34Å; V229-T232 WeakPolarHBondContact O-CB 3.29Å; V229-T232 PolarHBondContact O-N 2.99Å; V229-T232 VanDerWaalsContact O-N 3.13Å; T232-S234 VanDerWaalsContact C-N 3.34Å; T232-S234 PolarHBondContact O-N 3.34Å; T232-G235 WeakPolarHBondContact O-CA 3.5Å; T232-G235 PolarHBondContact O-N 2.81Å; T232-G235 VanDerWaalsContact O-N 3.13Å; T232-V236 WeakPolarHBondContact O-CG2 3.46Å; T232-V236 PolarHBondContact O-N 2.98Å; T232-P268 HydrophobicContact CG2-CB 3.52Å; T232-P268 HydrophobicContact CG2-CG 4.2Å
233	M	93	Very high	89	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.8	-43.1	176.1	-70	176.9	71.4	0	0	112	I16 F20 V136 F167 V229 G235 V236 T237	I16-M233 HydrophobicContact CG2-SD 3.55Å; I16-M233 VanDerWaalsContact CG2-SD 3.55Å; F20-M233 HydrophobicContact CB-CE 3.93Å; F20-M233 HydrophobicContact CB-SD 4.14Å; F20-M233 HydrophobicContact CD1-CE 4.18Å; F20-M233 HydrophobicContact CD2-CB 3.56Å; F20-M233 HydrophobicContact CD2-CE 3.87Å; F20-M233 HydrophobicContact CD2-SD 4.37Å; F20-M233 HydrophobicContact CE2-CB 3.96Å; F20-M233 HydrophobicContact CE2-CE 4.42Å; F20-M233 HydrophobicContact CG-CB 4.45Å; F20-M233 HydrophobicContact CG-CE 3.72Å; F20-M233 HydrophobicContact CG-SD 4.4Å; V136-M233 HydrophobicContact CG2-CE 3.5Å; F167-M233 HydrophobicContact CD1-CG 3.58Å; F167-M233 HydrophobicContact CD1-SD 4.44Å; F167-M233 HydrophobicContact CD2-CE 4.19Å; F167-M233 HydrophobicContact CE1-CB 4.35Å; F167-M233 HydrophobicContact CE1-CG 3.68Å; F167-M233 HydrophobicContact CG-CE 4.19Å; F167-M233 HydrophobicContact CG-CG 4.1Å; F167-M233 HydrophobicContact CG-SD 4.44Å; F167-M233 HydrophobicContact CZ-CG 4.31Å; V229-M233 HydrophobicContact CG1-CG 4.19Å; V229-M233 HydrophobicContact CG1-SD 3.93Å; V229-M233 WeakPolarHBondContact O-CG 3.31Å; V229-M233 PolarHBondContact O-N 2.83Å; M233-G235 VanDerWaalsContact C-N 3.3Å; M233-G235 PolarHBondContact O-N 3.44Å; M233-V236 PolarHBondContact O-N 3.04Å; M233-T237 WeakPolarHBondContact O-CB 3.11Å; M233-T237 VanDerWaalsContact O-CG2 3.24Å; M233-T237 WeakPolarHBondContact O-CG2 3.35Å; M233-T237 PolarHBondContact O-N 3.17Å; M233-T237 PolarHBondContact O-OG1 3.04Å
234	S	92.3	Very high	88.1	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.4	-43.8	174.8	174	0	0	0	0	111.2	E27 S230 L231 T232 T237 T238 R241 R318	E27-S234 PolarHBondContact OE1-OG 2.87Å; E27-S234 PolarHBondContact OE2-OG 2.94Å; S230-S234 VanDerWaalsContact O-CB 3.28Å; S230-S234 WeakPolarHBondContact O-CB 3.09Å; S230-S234 PolarHBondContact O-N 2.9Å; L231-S234 PolarHBondContact O-N 2.79Å; T232-S234 VanDerWaalsContact C-N 3.34Å; T232-S234 PolarHBondContact O-N 3.34Å; S234-T237 PolarHBondContact O-N 3Å; S234-T237 PolarHBondContact O-OG1 3.17Å; S234-T238 PolarHBondContact O-N 2.71Å; S234-T238 VanDerWaalsContact O-N 3.09Å; S234-T238 PolarHBondContact O-OG1 3.27Å; S234-R241 PolarHBondContact O-NH2 3.16Å; S234-R241 PolarHBondContact OG-NH2 2.98Å; S234-R318 PolarHBondContact OG-NH1 3.42Å
235	G	89.9	Confident	86.8	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-51.2	176.5	0	0	0	0	0	114.1	L231 T232 M233 T237 T238 T366	L231-G235 PolarHBondContact O-N 2.82Å; T232-G235 WeakPolarHBondContact O-CA 3.5Å; T232-G235 PolarHBondContact O-N 2.81Å; T232-G235 VanDerWaalsContact O-N 3.13Å; M233-G235 VanDerWaalsContact C-N 3.3Å; M233-G235 PolarHBondContact O-N 3.44Å; G235-T237 VanDerWaalsContact C-N 3.28Å; G235-T237 PolarHBondContact O-N 2.85Å; G235-T238 WeakPolarHBondContact CA-OG1 3.31Å; G235-T238 VanDerWaalsContact O-CB 3.25Å; G235-T238 WeakPolarHBondContact O-CB 3.27Å; G235-T238 PolarHBondContact O-N 2.96Å; G235-T238 PolarHBondContact O-OG1 3.25Å; G235-T238 VanDerWaalsContact O-OG1 3.13Å; G235-T366 WeakPolarHBondContact CA-OG1 3.45Å
236	V	88.7	Confident	85.5	Confident	6 Å²	6	21.2 Å²	21.2	4%	0.036	11%	0.113	C	C	.	.	H	α-helix	trans	-59.5	-40.4	177.9	173.3	0	0	0	0	111.1	F167 F200 T232 M233 T238 T366 I368	F167-V236 HydrophobicContact CZ-CB 4.36Å; F167-V236 HydrophobicContact CZ-CG1 4.06Å; F200-V236 HydrophobicContact CD1-CG1 4.49Å; F200-V236 HydrophobicContact CD1-CG2 4.31Å; F200-V236 HydrophobicContact CE1-CG1 3.68Å; F200-V236 HydrophobicContact CE1-CG2 4.02Å; F200-V236 HydrophobicContact CE2-CG1 4.04Å; F200-V236 HydrophobicContact CZ-CG1 3.44Å; F200-V236 VanDerWaalsContact CZ-CG1 3.44Å; T232-V236 WeakPolarHBondContact O-CG2 3.46Å; T232-V236 PolarHBondContact O-N 2.98Å; M233-V236 PolarHBondContact O-N 3.04Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 2.99Å; V236-T366 HydrophobicContact CG2-CG2 4.05Å; V236-I368 HydrophobicContact CB-CD1 4.35Å; V236-I368 HydrophobicContact CG1-CD1 4.06Å; V236-I368 HydrophobicContact CG2-CD1 3.89Å; V236-I368 HydrophobicContact CG2-CG1 4Å
237	T	90.4	Very high	83.8	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.012	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	0.8	-177.8	60.9	0	0	0	0	113.8	F20 Y50 M233 S234 G235 S239 L240 R241	F20-T237 HydrophobicContact CE2-CG2 4.3Å; F20-T237 HydrophobicContact CZ-CG2 4.3Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.4Å; M233-T237 WeakPolarHBondContact O-CB 3.11Å; M233-T237 VanDerWaalsContact O-CG2 3.24Å; M233-T237 WeakPolarHBondContact O-CG2 3.35Å; M233-T237 PolarHBondContact O-N 3.17Å; M233-T237 PolarHBondContact O-OG1 3.04Å; S234-T237 PolarHBondContact O-N 3Å; S234-T237 PolarHBondContact O-OG1 3.17Å; G235-T237 VanDerWaalsContact C-N 3.28Å; G235-T237 PolarHBondContact O-N 2.85Å; T237-S239 PolarHBondContact O-N 3.43Å; T237-L240 HydrophobicContact CG2-CD1 4.42Å; T237-L240 WeakPolarHBondContact O-CB 3.17Å; T237-L240 PolarHBondContact O-N 2.98Å; T237-R241 WeakPolarHBondContact O-CG 3.42Å; T237-R241 PolarHBondContact O-N 2.92Å; T237-R241 VanDerWaalsContact O-N 3.1Å; T237-R241 PolarHBondContact OG1-NE 2.82Å
238	T	89.1	Confident	82.5	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.2	-41.7	-175.5	-66.4	0	0	0	0	112.1	S234 G235 V236 L240 R241 F242 V316 R318 C354	S234-T238 PolarHBondContact O-N 2.71Å; S234-T238 VanDerWaalsContact O-N 3.09Å; S234-T238 PolarHBondContact O-OG1 3.27Å; G235-T238 WeakPolarHBondContact CA-OG1 3.31Å; G235-T238 VanDerWaalsContact O-CB 3.25Å; G235-T238 WeakPolarHBondContact O-CB 3.27Å; G235-T238 PolarHBondContact O-N 2.96Å; G235-T238 PolarHBondContact O-OG1 3.25Å; G235-T238 VanDerWaalsContact O-OG1 3.13Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 2.99Å; T238-L240 PolarHBondContact O-N 3.5Å; T238-R241 PolarHBondContact O-N 3.47Å; T238-F242 HydrophobicContact CG2-CD2 4.06Å; T238-F242 PolarHBondContact O-N 3.21Å; T238-V316 HydrophobicContact CG2-CG1 4.38Å; T238-R318 HydrophobicContact CG2-CG 3.97Å; T238-R318 VanDerWaalsContact OG1-CD 3.32Å; T238-R318 WeakPolarHBondContact OG1-CD 3.49Å; T238-R318 PolarHBondContact OG1-NE 3.39Å; T238-R318 PolarHBondContact OG1-NH1 3.11Å; T238-C354 HydrophobicContact CG2-CB 3.68Å
239	S	82.8	Confident	81.6	Confident	15 Å²	15	22.1 Å²	22.1	11%	0.105	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-24.1	178.7	50.1	0	0	0	0	113.3	R46 T237	R46-S239 PolarHBondContact NH1-O 3.13Å; T237-S239 PolarHBondContact O-N 3.43Å
240	L	85.6	Confident	80.9	Confident	10 Å²	10	22.3 Å²	22.3	5%	0.052	12%	0.123	C	C	.	.	H	α-helix	trans	-82.8	-43.7	178	-51.4	168.7	0	0	0	110.2	I4 R46 V49 T237 T238 A248 L250	I4-L240 HydrophobicContact CD1-CB 4.44Å; I4-L240 HydrophobicContact CD1-CD1 3.66Å; I4-L240 HydrophobicContact CD1-CG 4.46Å; R46-L240 WeakPolarHBondContact CD-O 3.3Å; V49-L240 HydrophobicContact CG1-CB 4.39Å; T237-L240 HydrophobicContact CG2-CD1 4.42Å; T237-L240 WeakPolarHBondContact O-CB 3.17Å; T237-L240 PolarHBondContact O-N 2.98Å; T238-L240 PolarHBondContact O-N 3.5Å; L240-A248 WeakPolarHBondContact CD2-O 3.22Å; L240-L250 HydrophobicContact CD1-CD2 3.41Å; L240-L250 VanDerWaalsContact CD1-CD2 3.41Å; L240-L250 HydrophobicContact CD1-CG 4.11Å; L240-L250 HydrophobicContact CD2-CD2 3.95Å; L240-L250 HydrophobicContact CD2-CG 4.06Å; L240-L250 HydrophobicContact CG-CD2 4.3Å
241	R	88.4	Confident	80.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-83.6	-24.1	-171.9	-72.4	-174.2	-56	104.9	-1.3	115.4	E27 H28 R46 Y50 S234 T237 T238	E27-R241 IonicContact OE2-CZ 3.52Å; E27-R241 VanDerWaalsContact OE2-CZ 3.25Å; E27-R241 IonicContact OE2-NH1 3.25Å; E27-R241 PolarHBondContact OE2-NH1 3.1Å; E27-R241 IonicContact OE2-NH2 2.73Å; E27-R241 PolarHBondContact OE2-NH2 2.94Å; H28-R241 PolarHBondContact CE1-O 2.97Å; H28-R241 PolarHBondContact NE2-NH1 2.98Å; R46-R241 VanDerWaalsContact CB-O 3.3Å; R46-R241 WeakPolarHBondContact CB-O 3.39Å; Y50-R241 HydrophobicContact CD2-CG 3.52Å; Y50-R241 HydrophobicContact CE2-CG 3.63Å; S234-R241 PolarHBondContact O-NH2 3.16Å; S234-R241 PolarHBondContact OG-NH2 2.98Å; T237-R241 WeakPolarHBondContact O-CG 3.42Å; T237-R241 PolarHBondContact O-N 2.92Å; T237-R241 VanDerWaalsContact O-N 3.1Å; T237-R241 PolarHBondContact OG1-NE 2.82Å; T238-R241 PolarHBondContact O-N 3.47Å
242	F	86.2	Confident	80.3	Confident	1 Å²	1	31.6 Å²	31.6	0%	0.004	16%	0.159	C	C	.	.	S	Bend	trans	-126.8	145.3	-179.8	-61.7	-66.5	0	0	0	110.5	E27 H28 T238 G244 I356	E27-F242 HydrophobicContact CB-CZ 4.2Å; H28-F242 AromaticContact CE1-CE1 3.53Å; H28-F242 AromaticContact CE1-CZ 3.75Å; H28-F242 AromaticContact ND1-CE1 3.82Å; H28-F242 AromaticContact NE2-CZ 3.91Å; T238-F242 HydrophobicContact CG2-CD2 4.06Å; T238-F242 PolarHBondContact O-N 3.21Å; F242-G244 PolarHBondContact O-N 3.03Å; F242-I356 HydrophobicContact CD1-CD1 3.31Å; F242-I356 HydrophobicContact CE1-CD1 3.52Å; F242-I356 HydrophobicContact CE1-CG2 4.36Å; F242-I356 HydrophobicContact CE2-CG2 4.27Å; F242-I356 HydrophobicContact CG-CD1 3.91Å; F242-I356 HydrophobicContact CZ-CD1 4.27Å; F242-I356 HydrophobicContact CZ-CG2 4.08Å
243	P	77.8	Confident	79.9	Confident	37 Å²	37	32.6 Å²	32.6	24%	0.24	16%	0.164	C	C	.	.			trans	-62.7	131.1	169.3	30.6	-36.5	0	0	0	109	I42 E45	I42-P243 HydrophobicContact CG2-CG 3.6Å; E45-P243 WeakPolarHBondContact OE2-CG 3.45Å
244	G	69.9	Low	79.6	Confident	21 Å²	21	33.1 Å²	33.1	22%	0.216	17%	0.169	C	C	.	.			trans	-138	163	177.1	0	0	0	0	0	110.3	F242 L246 N247	F242-G244 PolarHBondContact O-N 3.03Å; G244-L246 PolarHBondContact O-N 3.43Å; G244-N247 PolarHBondContact O-OD1 3.09Å
245	Q	60.8	Low	79.4	Confident	155 Å²	155	38.4 Å²	38.4	72%	0.724	20%	0.201	S	C	*	.	S	Bend	trans	-61.5	-33.6	178.8	-65.3	-172.9	-6	0	0	111.7	N247	Q245-N247 PolarHBondContact O-N 3.31Å
246	L	63.1	Low	79.3	Confident	67 Å²	67	41.2 Å²	41.2	35%	0.351	22%	0.216	S	C	.	.	S	Bend	trans	-94.3	85.8	169.4	-151.4	93.2	0	0	0	109.3	G244 A248 A352	G244-L246 PolarHBondContact O-N 3.43Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 3.21Å; L246-A352 HydrophobicContact CB-CB 3.99Å; L246-A352 HydrophobicContact CD2-CB 4.18Å
247	N	55	Low	79.3	Confident	84 Å²	84	41 Å²	41	45%	0.449	21%	0.214	S	C	.	.			trans	-67.3	93.6	170.1	-73.7	-43.8	0	0	0	109	R46 G244 Q245 K252	R46-N247 PolarHBondContact NH2-OD1 3.16Å; G244-N247 PolarHBondContact O-OD1 3.09Å; Q245-N247 PolarHBondContact O-N 3.31Å; N247-K252 PolarHBondContact O-NZ 3.47Å; N247-K252 VanDerWaalsContact O-NZ 3.14Å
248	A	62.4	Low	79.4	Confident	9 Å²	9	42.1 Å²	42.1	7%	0.074	22%	0.221	C	C	.	.			trans	-107	117.6	175.3	0	0	0	0	0	108.9	L240 L246	L240-A248 WeakPolarHBondContact CD2-O 3.22Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 3.21Å
249	D	70.9	Confident	79.3	Confident	30 Å²	30	44.3 Å²	44.3	16%	0.16	24%	0.235	C	C	.	.			trans	-75.6	170.4	158.8	42	33.7	0	0	0	109.8	R2 R251 K252 L253	R2-D249 IonicContact CZ-OD2 3.07Å; R2-D249 VanDerWaalsContact NH1-CG 3.28Å; R2-D249 IonicContact NH1-OD2 2.65Å; R2-D249 PolarHBondContact NH1-OD2 2.88Å; R2-D249 IonicContact NH2-OD2 2.95Å; R2-D249 PolarHBondContact NH2-OD2 2.99Å; D249-R251 PolarHBondContact O-N 3.21Å; D249-K252 PolarHBondContact O-N 2.74Å; D249-K252 WeakPolarHBondContact OD1-CA 3.41Å; D249-K252 WeakPolarHBondContact OD1-CB 3.38Å; D249-K252 PolarHBondContact OD1-N 3Å; D249-L253 PolarHBondContact O-N 3.04Å
250	L	77.8	Confident	79.7	Confident	6 Å²	6	46 Å²	46	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-53.8	-43.1	173	-70.2	-177.7	0	0	0	111.6	I4 Q131 I163 N165 L240 K252 L253 A254	I4-L250 HydrophobicContact CD1-CD1 3.76Å; I4-L250 HydrophobicContact CD1-CD2 4.48Å; I4-L250 HydrophobicContact CD1-CG 4.11Å; I4-L250 HydrophobicContact CG1-CD1 3.96Å; Q131-L250 HydrophobicContact CB-CD1 4.16Å; I163-L250 HydrophobicContact CB-CB 4.27Å; I163-L250 HydrophobicContact CG1-CB 4.42Å; I163-L250 HydrophobicContact CG2-CB 4.02Å; I163-L250 HydrophobicContact CG2-CD1 4.43Å; N165-L250 WeakPolarHBondContact ND2-CD2 3.42Å; L240-L250 HydrophobicContact CD1-CD2 3.41Å; L240-L250 VanDerWaalsContact CD1-CD2 3.41Å; L240-L250 HydrophobicContact CD1-CG 4.11Å; L240-L250 HydrophobicContact CD2-CD2 3.95Å; L240-L250 HydrophobicContact CD2-CG 4.06Å; L240-L250 HydrophobicContact CG-CD2 4.3Å; L250-K252 PolarHBondContact O-N 3.08Å; L250-L253 WeakPolarHBondContact O-CB 3.38Å; L250-L253 PolarHBondContact O-N 3.29Å; L250-A254 PolarHBondContact O-N 3.06Å
251	R	84.8	Confident	79.8	Confident	128 Å²	128	50.9 Å²	50.9	48%	0.483	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-41.4	-179.6	-174.9	172.3	-66	-77.2	0	112.9	D161 I163 D249 A254 V255	D161-R251 PolarHBondContact O-NH2 2.85Å; I163-R251 HydrophobicContact CD1-CB 4.36Å; I163-R251 HydrophobicContact CD1-CG 4.48Å; I163-R251 HydrophobicContact CG1-CB 4.17Å; D249-R251 PolarHBondContact O-N 3.21Å; R251-A254 PolarHBondContact O-N 3.09Å; R251-V255 HydrophobicContact CG-CG2 4.47Å; R251-V255 WeakPolarHBondContact O-CB 3.34Å; R251-V255 VanDerWaalsContact O-CG2 3.23Å; R251-V255 WeakPolarHBondContact O-CG2 3.44Å; R251-V255 PolarHBondContact O-N 3.45Å
252	K	85.3	Confident	79.9	Confident	91 Å²	91	54.4 Å²	54.4	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-73.4	-30.3	178	-176.6	171.3	173.9	-171.9	0	111.2	N247 D249 L250 N256	N247-K252 PolarHBondContact O-NZ 3.47Å; N247-K252 VanDerWaalsContact O-NZ 3.14Å; D249-K252 PolarHBondContact O-N 2.74Å; D249-K252 WeakPolarHBondContact OD1-CA 3.41Å; D249-K252 WeakPolarHBondContact OD1-CB 3.38Å; D249-K252 PolarHBondContact OD1-N 3Å; L250-K252 PolarHBondContact O-N 3.08Å; K252-N256 WeakPolarHBondContact CG-ND2 3.24Å; K252-N256 WeakPolarHBondContact O-CB 3.45Å; K252-N256 PolarHBondContact O-N 3.35Å; K252-N256 PolarHBondContact O-ND2 2.86Å
253	L	83	Confident	80.3	Confident	22 Å²	22	54.3 Å²	54.3	12%	0.115	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-51.4	168.1	-173.3	65.5	0	0	0	109.6	D249 L250 V255 N256 M257	D249-L253 PolarHBondContact O-N 3.04Å; L250-L253 WeakPolarHBondContact O-CB 3.38Å; L250-L253 PolarHBondContact O-N 3.29Å; L253-V255 PolarHBondContact O-N 3.12Å; L253-N256 PolarHBondContact O-N 3.45Å; L253-N256 VanDerWaalsContact O-N 3.11Å; L253-M257 HydrophobicContact CD1-CG 3.84Å; L253-M257 HydrophobicContact CG-CG 4.25Å; L253-M257 VanDerWaalsContact O-CB 3.32Å; L253-M257 WeakPolarHBondContact O-CB 3.31Å; L253-M257 VanDerWaalsContact O-CG 3.29Å; L253-M257 WeakPolarHBondContact O-CG 3.47Å; L253-M257 PolarHBondContact O-N 3.2Å
254	A	86.6	Confident	81.1	Confident	11 Å²	11	52.6 Å²	52.6	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-57.7	-50.3	-179.4	0	0	0	0	0	111.7	E198 L250 R251 N256 M257 V258	E198-A254 HydrophobicContact CG-CB 4.07Å; E198-A254 WeakPolarHBondContact OE1-CA 3.4Å; E198-A254 VanDerWaalsContact OE1-CB 3.26Å; E198-A254 WeakPolarHBondContact OE1-CB 3.47Å; E198-A254 PolarHBondContact OE1-N 2.81Å; L250-A254 PolarHBondContact O-N 3.06Å; R251-A254 PolarHBondContact O-N 3.09Å; A254-N256 PolarHBondContact O-N 3.17Å; A254-M257 PolarHBondContact O-N 2.76Å; A254-M257 VanDerWaalsContact O-N 3.12Å; A254-V258 WeakPolarHBondContact O-CB 3.4Å; A254-V258 PolarHBondContact O-N 2.94Å
255	V	88.4	Confident	82.3	Confident	111 Å²	111	51.6 Å²	51.6	67%	0.673	26%	0.264	S	S	*	.	H	α-helix	trans	-61.1	-32	179.5	170.3	0	0	0	0	112.6	R251 L253	R251-V255 HydrophobicContact CG-CG2 4.47Å; R251-V255 WeakPolarHBondContact O-CB 3.34Å; R251-V255 VanDerWaalsContact O-CG2 3.23Å; R251-V255 WeakPolarHBondContact O-CG2 3.44Å; R251-V255 PolarHBondContact O-N 3.45Å; L253-V255 PolarHBondContact O-N 3.12Å
256	N	88.3	Confident	83.9	Confident	59 Å²	59	44.2 Å²	44.2	32%	0.316	23%	0.23	S	C	.	.	H	α-helix	trans	-84.3	-24.2	178.1	-76.4	-60.9	0	0	0	113.3	K252 L253 A254 T312 K350	K252-N256 WeakPolarHBondContact CG-ND2 3.24Å; K252-N256 WeakPolarHBondContact O-CB 3.45Å; K252-N256 PolarHBondContact O-N 3.35Å; K252-N256 PolarHBondContact O-ND2 2.86Å; L253-N256 PolarHBondContact O-N 3.45Å; L253-N256 VanDerWaalsContact O-N 3.11Å; A254-N256 PolarHBondContact O-N 3.17Å; N256-T312 WeakPolarHBondContact O-CG2 3.42Å; N256-K350 HydrophobicContact CB-CG 4.3Å; N256-K350 WeakPolarHBondContact OD1-CE 3.12Å
257	M	88.4	Confident	85.3	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-105.3	-23.9	-170.5	-67.4	-59.5	-62.2	0	0	113.7	L253 A254 P259 F266 T312 A314 I368 N370	L253-M257 HydrophobicContact CD1-CG 3.84Å; L253-M257 HydrophobicContact CG-CG 4.25Å; L253-M257 VanDerWaalsContact O-CB 3.32Å; L253-M257 WeakPolarHBondContact O-CB 3.31Å; L253-M257 VanDerWaalsContact O-CG 3.29Å; L253-M257 WeakPolarHBondContact O-CG 3.47Å; L253-M257 PolarHBondContact O-N 3.2Å; A254-M257 PolarHBondContact O-N 2.76Å; A254-M257 VanDerWaalsContact O-N 3.12Å; M257-P259 WeakPolarHBondContact O-CD 3.32Å; M257-F266 HydrophobicContact CB-CE1 3.72Å; M257-F266 HydrophobicContact CB-CE2 4.31Å; M257-F266 HydrophobicContact CB-CZ 3.44Å; M257-F266 VanDerWaalsContact CB-CZ 3.44Å; M257-F266 HydrophobicContact CE-CE1 4.41Å; M257-F266 HydrophobicContact CG-CZ 4.45Å; M257-T312 WeakPolarHBondContact CA-OG1 3.35Å; M257-T312 PolarHBondContact O-OG1 3.43Å; M257-A314 HydrophobicContact CE-CB 4.12Å; M257-A314 HydrophobicContact CG-CB 4.49Å; M257-A314 HydrophobicContact SD-CB 3.54Å; M257-A314 VanDerWaalsContact SD-CB 3.54Å; M257-I368 HydrophobicContact CE-CB 4.29Å; M257-I368 HydrophobicContact CE-CG2 3.89Å; M257-I368 WeakPolarHBondContact CE-O 3.4Å; M257-N370 PolarHBondContact O-ND2 3.12Å
258	V	91.8	Very high	87.2	Confident	26 Å²	26	37 Å²	37	16%	0.158	19%	0.192	C	C	.	.			trans	-110.3	93.2	-176.3	-173.6	0	0	0	0	109.2	A254 F260 H264 F266	A254-V258 WeakPolarHBondContact O-CB 3.4Å; A254-V258 PolarHBondContact O-N 2.94Å; V258-F260 VanDerWaalsContact C-N 3.33Å; V258-F260 WeakPolarHBondContact CG1-O 3.47Å; V258-H264 HydrophobicContact CG1-CB 3.9Å; V258-H264 HydrophobicContact CG2-CB 3.86Å; V258-F266 HydrophobicContact CG2-CE1 4.12Å; V258-F266 HydrophobicContact CG2-CZ 3.58Å
259	P	88.7	Confident	88.6	Confident	46 Å²	46	36.7 Å²	36.7	30%	0.299	19%	0.189	S	C	.	.	S	Bend	trans	-71.7	-30.3	176.1	28.6	-33.7	0	0	0	112.3	M257 L311 I345	M257-P259 WeakPolarHBondContact O-CD 3.32Å; P259-L311 HydrophobicContact CG-CB 4.24Å; P259-L311 HydrophobicContact CG-CD1 4.13Å; P259-I345 HydrophobicContact CB-CD1 3.97Å; P259-I345 HydrophobicContact CG-CD1 4.18Å
260	F	90.7	Very high	89.6	Confident	52 Å²	52	35.5 Å²	35.5	23%	0.228	18%	0.182	C	C	.	.	S	Bend	trans	-129.9	134.5	179.6	-58.4	-71.2	0	0	0	109.9	V258 R262 L263 W344 Y425	V258-F260 VanDerWaalsContact C-N 3.33Å; V258-F260 WeakPolarHBondContact CG1-O 3.47Å; F260-R262 VanDerWaalsContact C-N 3.25Å; F260-R262 PolarHBondContact O-N 3.19Å; F260-R262 VanDerWaalsContact O-N 3.11Å; F260-L263 HydrophobicContact CB-CB 4.37Å; F260-L263 HydrophobicContact CB-CD1 4.43Å; F260-L263 HydrophobicContact CB-CG 4.21Å; F260-L263 HydrophobicContact CD2-CD1 4.01Å; F260-L263 PolarHBondContact O-N 3.36Å; F260-W344 AromaticContact CE2-CH2 3.52Å; F260-W344 HydrophobicContact CE2-CH2 3.52Å; F260-W344 HydrophobicContact CE2-CZ2 4.37Å; F260-W344 HydrophobicContact CE2-CZ3 4.14Å; F260-W344 AromaticContact CZ-CH2 3.91Å; F260-W344 HydrophobicContact CZ-CH2 3.91Å; F260-W344 HydrophobicContact CZ-CZ3 4.09Å; F260-Y425 HydrophobicContact CD2-CD1 4.43Å; F260-Y425 HydrophobicContact CD2-CD2 4.41Å; F260-Y425 AromaticContact CD2-CE1 3.98Å; F260-Y425 HydrophobicContact CD2-CE1 3.98Å; F260-Y425 AromaticContact CD2-CE2 3.95Å; F260-Y425 HydrophobicContact CD2-CE2 3.95Å; F260-Y425 AromaticContact CD2-CZ 3.7Å; F260-Y425 HydrophobicContact CE1-CE1 4Å; F260-Y425 AromaticContact CE1-CZ 3.92Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.22Å; F260-Y425 AromaticContact CE2-CD1 3.6Å; F260-Y425 HydrophobicContact CE2-CD1 3.6Å; F260-Y425 HydrophobicContact CE2-CD2 4.34Å; F260-Y425 AromaticContact CE2-CE1 3.18Å; F260-Y425 HydrophobicContact CE2-CE1 3.18Å; F260-Y425 AromaticContact CE2-CE2 3.99Å; F260-Y425 HydrophobicContact CE2-CE2 3.99Å; F260-Y425 HydrophobicContact CE2-CG 4.16Å; F260-Y425 AromaticContact CE2-CZ 3.39Å; F260-Y425 HydrophobicContact CG-CE2 4.41Å; F260-Y425 HydrophobicContact CZ-CD1 4Å; F260-Y425 AromaticContact CZ-CE1 3.22Å; F260-Y425 HydrophobicContact CZ-CE1 3.22Å; F260-Y425 AromaticContact CZ-CZ 3.54Å
261	P	87.6	Confident	90.3	Very high	111 Å²	111	35.2 Å²	35.2	72%	0.721	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-36.2	-172.8	-29.1	35.1	0	0	0	114.8	H264	P261-H264 PolarHBondContact O-ND1 3.44Å
262	R	91.1	Very high	90.5	Very high	74 Å²	74	29.4 Å²	29.4	28%	0.279	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-21.6	-179.5	-72.1	171.1	64.9	106.7	-11.8	113.7	L193 F260 H264 E421	L193-R262 HydrophobicContact CD1-CB 3.95Å; L193-R262 HydrophobicContact CD1-CG 4.24Å; L193-R262 WeakPolarHBondContact CD1-O 3.36Å; L193-R262 HydrophobicContact CG-CG 4.49Å; F260-R262 VanDerWaalsContact C-N 3.25Å; F260-R262 PolarHBondContact O-N 3.19Å; F260-R262 VanDerWaalsContact O-N 3.11Å; R262-H264 PolarHBondContact O-N 2.9Å; R262-E421 WeakPolarHBondContact CB-OE2 3.48Å; R262-E421 IonicContact CZ-OE1 2.85Å; R262-E421 IonicContact NE-OE1 3.39Å; R262-E421 PolarHBondContact NE-OE1 2.97Å; R262-E421 IonicContact NE-OE2 3.17Å; R262-E421 PolarHBondContact NE-OE2 3.37Å; R262-E421 IonicContact NH2-OE1 2.74Å; R262-E421 PolarHBondContact NH2-OE1 3.26Å
263	L	93.3	Very high	90.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.			trans	-97.9	56.6	-177.2	-53.1	-170.8	0	0	0	111.4	F260 L311 N370 L418 E421 Y422 Y425	F260-L263 HydrophobicContact CB-CB 4.37Å; F260-L263 HydrophobicContact CB-CD1 4.43Å; F260-L263 HydrophobicContact CB-CG 4.21Å; F260-L263 HydrophobicContact CD2-CD1 4.01Å; F260-L263 PolarHBondContact O-N 3.36Å; L263-L311 HydrophobicContact CD1-CD1 4Å; L263-N370 PolarHBondContact O-ND2 3.31Å; L263-L418 HydrophobicContact CD2-CD1 3.85Å; L263-E421 HydrophobicContact CD2-CB 4.17Å; L263-Y422 HydrophobicContact CB-CE1 4.03Å; L263-Y422 HydrophobicContact CD1-CD1 4.21Å; L263-Y422 HydrophobicContact CD1-CE1 4.17Å; L263-Y422 HydrophobicContact CD2-CD1 3.97Å; L263-Y422 HydrophobicContact CD2-CD2 3.98Å; L263-Y422 HydrophobicContact CD2-CE1 3.76Å; L263-Y422 HydrophobicContact CD2-CE2 3.76Å; L263-Y422 HydrophobicContact CD2-CG 4.08Å; L263-Y422 HydrophobicContact CG-CE1 4.2Å; L263-Y425 HydrophobicContact CD1-CD2 3.43Å; L263-Y425 VanDerWaalsContact CD1-CD2 3.43Å; L263-Y425 HydrophobicContact CD1-CE2 3.71Å; L263-Y425 HydrophobicContact CD1-CG 4.33Å
264	H	94.4	Very high	90.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.			trans	-105.4	15.7	-178	60.7	-97.7	0	0	0	113.8	L192 L193 T196 D197 T199 V258 P261 R262	L192-H264 PolarHBondContact O-NE2 3.26Å; L193-H264 PolarHBondContact O-CE1 2.84Å; T196-H264 PolarHBondContact O-CE1 3.44Å; T196-H264 PolarHBondContact OG1-CD2 3.47Å; T196-H264 PolarHBondContact OG1-NE2 3.17Å; D197-H264 VanDerWaalsContact O-CB 3.24Å; D197-H264 WeakPolarHBondContact O-CB 2.97Å; T199-H264 PolarHBondContact N-O 2.8Å; V258-H264 HydrophobicContact CG1-CB 3.9Å; V258-H264 HydrophobicContact CG2-CB 3.86Å; P261-H264 PolarHBondContact O-ND1 3.44Å; R262-H264 PolarHBondContact O-N 2.9Å
265	F	95.3	Very high	89.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.1	176	-60.8	-83.3	0	0	0	111.1	V189 L192 L193 T199 I374 F378 L418	V189-F265 HydrophobicContact CG1-CZ 4.31Å; L192-F265 HydrophobicContact CB-CE1 4.42Å; L193-F265 HydrophobicContact CD1-CE2 3.85Å; L193-F265 HydrophobicContact CD1-CZ 4.41Å; T199-F265 HydrophobicContact CG2-CD1 3.59Å; T199-F265 HydrophobicContact CG2-CE1 3.8Å; T199-F265 CarbonylContact O-C 3.46Å; T199-F265 WeakPolarHBondContact O-CA 3.17Å; F265-I374 HydrophobicContact CB-CG1 4.33Å; F265-F378 HydrophobicContact CB-CE2 4.27Å; F265-F378 HydrophobicContact CB-CZ 4.1Å; F265-F378 HydrophobicContact CD1-CE1 4.5Å; F265-F378 AromaticContact CD1-CZ 3.71Å; F265-F378 HydrophobicContact CD1-CZ 3.71Å; F265-F378 HydrophobicContact CD2-CE2 4.14Å; F265-F378 AromaticContact CD2-CZ 3.85Å; F265-F378 HydrophobicContact CD2-CZ 3.85Å; F265-F378 HydrophobicContact CE1-CE1 4.49Å; F265-F378 HydrophobicContact CE1-CZ 4.04Å; F265-F378 HydrophobicContact CE2-CZ 4.18Å; F265-F378 HydrophobicContact CG-CE2 4.1Å; F265-F378 AromaticContact CG-CZ 3.6Å; F265-F378 HydrophobicContact CG-CZ 3.6Å; F265-F378 HydrophobicContact CZ-CZ 4.27Å; F265-L418 HydrophobicContact CD2-CD2 4.15Å; F265-L418 HydrophobicContact CE2-CD1 4.28Å; F265-L418 HydrophobicContact CE2-CD2 3.66Å; F265-L418 HydrophobicContact CZ-CD2 4.33Å
266	F	95.1	Very high	88.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	145.6	-177.9	-56.7	-41.2	0	0	0	112.4	E198 T199 F200 C201 M257 V258 P268 I368 N370	E198-F266 HydrophobicContact CB-CD2 4.39Å; E198-F266 HydrophobicContact CB-CE2 3.72Å; E198-F266 HydrophobicContact CG-CE2 3.76Å; E198-F266 HydrophobicContact CG-CZ 4.27Å; T199-F266 PolarHBondContact O-N 2.78Å; F200-F266 HydrophobicContact CD1-CB 4.06Å; F200-F266 HydrophobicContact CD1-CD2 4.02Å; F200-F266 HydrophobicContact CE1-CB 4.34Å; F200-F266 AromaticContact CE1-CD2 3.64Å; F200-F266 HydrophobicContact CE1-CD2 3.64Å; F200-F266 HydrophobicContact CE1-CE2 4.45Å; F200-F266 HydrophobicContact CE1-CG 4.43Å; F200-F266 HydrophobicContact CE2-CD2 4.45Å; F200-F266 AromaticContact CZ-CD2 3.86Å; F200-F266 HydrophobicContact CZ-CD2 3.86Å; F200-F266 HydrophobicContact CZ-CE2 4.29Å; C201-F266 WeakPolarHBondContact CB-O 3.43Å; C201-F266 PolarHBondContact N-O 3.02Å; M257-F266 HydrophobicContact CB-CE1 3.72Å; M257-F266 HydrophobicContact CB-CE2 4.31Å; M257-F266 HydrophobicContact CB-CZ 3.44Å; M257-F266 VanDerWaalsContact CB-CZ 3.44Å; M257-F266 HydrophobicContact CE-CE1 4.41Å; M257-F266 HydrophobicContact CG-CZ 4.45Å; V258-F266 HydrophobicContact CG2-CE1 4.12Å; V258-F266 HydrophobicContact CG2-CZ 3.58Å; F266-P268 VanDerWaalsContact O-CD 3.31Å; F266-P268 WeakPolarHBondContact O-CD 3.5Å; F266-I368 HydrophobicContact CB-CG2 3.81Å; F266-I368 HydrophobicContact CD1-CG2 4.44Å; F266-I368 HydrophobicContact CD2-CG2 3.97Å; F266-I368 HydrophobicContact CG-CG2 3.83Å; F266-N370 HydrophobicContact CD1-CB 3.91Å; F266-N370 HydrophobicContact CE1-CB 4.01Å
267	M	93.5	Very high	88	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	104	167.4	-64.8	179.8	69	0	0	109	M299 A301 C303 P305 G369 N371 I374	M267-M299 HydrophobicContact CE-CB 4.47Å; M267-M299 HydrophobicContact CE-CG 4.44Å; M267-A301 HydrophobicContact CB-CB 4.28Å; M267-A301 HydrophobicContact CE-CB 3.96Å; M267-A301 HydrophobicContact CG-CB 4.01Å; M267-C303 HydrophobicContact CE-CB 3.63Å; M267-C303 HydrophobicContact SD-CB 4.4Å; M267-P305 HydrophobicContact CE-CG 4.24Å; M267-G369 PolarHBondContact N-O 2.86Å; M267-G369 PolarHBondContact O-N 3.08Å; M267-N371 HydrophobicContact SD-CB 3.92Å; M267-I374 HydrophobicContact CG-CB 4.31Å; M267-I374 HydrophobicContact CG-CD1 3.46Å; M267-I374 VanDerWaalsContact CG-CD1 3.46Å; M267-I374 HydrophobicContact CG-CG1 4.41Å; M267-I374 HydrophobicContact SD-CB 4.41Å; M267-I374 HydrophobicContact SD-CD1 4.34Å
268	P	93.9	Very high	87.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	153.1	175.6	28.9	-24.5	0	0	0	111.3	C201 I202 T232 F266 M300 F367	C201-P268 WeakPolarHBondContact O-CD 3.27Å; I202-P268 HydrophobicContact CG1-CG 4.1Å; T232-P268 HydrophobicContact CG2-CB 3.52Å; T232-P268 HydrophobicContact CG2-CG 4.2Å; F266-P268 VanDerWaalsContact O-CD 3.31Å; F266-P268 WeakPolarHBondContact O-CD 3.5Å; P268-M300 HydrophobicContact CG-CB 4.12Å; P268-M300 WeakPolarHBondContact O-CB 3.32Å; P268-M300 PolarHBondContact O-N 3.14Å; P268-F367 CarbonylContact C-O 3.57Å; P268-F367 VanDerWaalsContact CA-O 3.31Å; P268-F367 WeakPolarHBondContact CA-O 3.49Å
269	G	92.4	Very high	86.2	Confident	1 Å²	1	36 Å²	36	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.7	173.7	0	0	0	0	0	110.8	N298 F367	G269-N298 WeakPolarHBondContact CA-O 3.33Å; G269-F367 PolarHBondContact N-O 3.31Å; G269-F367 PolarHBondContact O-N 2.94Å
270	F	92.3	Very high	85.1	Confident	5 Å²	5	42.1 Å²	42.1	2%	0.022	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.9	177.4	-175.7	-91.7	0	0	0	110.2	L231 L273 M300 L361 A364	L231-F270 HydrophobicContact CB-CD2 4.18Å; L231-F270 HydrophobicContact CB-CE1 4.5Å; L231-F270 HydrophobicContact CB-CE2 4.05Å; L231-F270 HydrophobicContact CB-CG 4.47Å; L231-F270 HydrophobicContact CB-CZ 4.22Å; L231-F270 HydrophobicContact CD1-CE1 4.15Å; L231-F270 HydrophobicContact CD1-CZ 4.37Å; F270-L273 HydrophobicContact CD1-CD2 4.11Å; F270-L273 WeakPolarHBondContact O-CD1 3.37Å; F270-L273 WeakPolarHBondContact O-CG 3.41Å; F270-M300 HydrophobicContact CB-CE 3.79Å; F270-L361 HydrophobicContact CE1-CD1 4.25Å; F270-L361 HydrophobicContact CZ-CD1 3.99Å; F270-A364 HydrophobicContact CE2-CB 4.19Å; F270-A364 HydrophobicContact CZ-CB 3.91Å
271	A	91.1	Very high	84	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.2	168.9	0	0	0	0	0	109.7	L289 Q292 M293 A364 S365	A271-L289 HydrophobicContact CB-CD2 4.26Å; A271-Q292 HydrophobicContact CB-CB 3.75Å; A271-M293 HydrophobicContact CB-CG 4.37Å; A271-A364 CarbonylContact O-C 3.59Å; A271-A364 WeakPolarHBondContact O-CA 3.49Å; A271-S365 PolarHBondContact N-O 2.93Å; A271-S365 PolarHBondContact O-N 3.26Å; A271-S365 VanDerWaalsContact O-O 3.09Å
272	P	90.1	Very high	83.2	Confident	6 Å²	6	48.8 Å²	48.8	4%	0.039	23%	0.233	C	C	.	.			cis	-86.5	142.7	3.1	34.9	-35.5	0	0	0	113.4	T274 L284 L289 L361	P272-T274 HydrophobicContact CB-CG2 4.25Å; P272-L284 HydrophobicContact CB-CD2 3.36Å; P272-L284 HydrophobicContact CG-CD1 3.83Å; P272-L284 HydrophobicContact CG-CD2 3.56Å; P272-L284 HydrophobicContact CG-CG 4.35Å; P272-L289 HydrophobicContact CB-CD2 4.2Å; P272-L289 HydrophobicContact CG-CD2 4.34Å; P272-L361 HydrophobicContact CG-CD2 4.1Å
273	L	85.3	Confident	82.1	Confident	8 Å²	8	48.8 Å²	48.8	4%	0.042	25%	0.249	C	C	.	.			trans	-100.6	91.8	167.9	-66.7	169.7	0	0	0	108.3	I210 T214 L228 F270 N298 M300	I210-L273 HydrophobicContact CD1-CD1 4.19Å; I210-L273 HydrophobicContact CG1-CD1 4.41Å; I210-L273 HydrophobicContact CG2-CD1 3.77Å; I210-L273 HydrophobicContact CG2-CD2 4.24Å; I210-L273 HydrophobicContact CG2-CG 4.49Å; T214-L273 HydrophobicContact CG2-CB 3.91Å; L228-L273 HydrophobicContact CD2-CD2 3.55Å; F270-L273 HydrophobicContact CD1-CD2 4.11Å; F270-L273 WeakPolarHBondContact O-CD1 3.37Å; F270-L273 WeakPolarHBondContact O-CG 3.41Å; L273-N298 HydrophobicContact CD1-CB 3.9Å; L273-M300 HydrophobicContact CD2-CE 4.42Å
274	T	77.4	Confident	81.5	Confident	21 Å²	21	50.6 Å²	50.6	13%	0.129	26%	0.258	C	S	.	.			trans	-117	135.4	-178.5	51	0	0	0	0	111.4	L215 P272	L215-T274 WeakPolarHBondContact CD2-O 3.23Å; P272-T274 HydrophobicContact CB-CG2 4.25Å
275	P	76.8	Confident	81.3	Confident	30 Å²	30	53.2 Å²	53.2	20%	0.195	27%	0.274	C	S	.	.			trans	-58.1	143.3	170.8	-22.3	31.3	0	0	0	111.4	T214 K216 G277 S278 Q279	T214-P275 WeakPolarHBondContact O-CG 3.49Å; K216-P275 HydrophobicContact CG-CG 4.5Å; P275-G277 PolarHBondContact O-N 3.18Å; P275-S278 PolarHBondContact O-N 2.91Å; P275-Q279 PolarHBondContact O-N 2.97Å
276	R	70.7	Confident	81.1	Confident	201 Å²	201	53.4 Å²	53.4	76%	0.758	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.8	-179.5	-64.9	-175.8	-178.9	-178.7	3.5	113.3
277	G	68.3	Low	80.9	Confident	60 Å²	60	55.4 Å²	55.4	62%	0.619	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-21	179.1	0	0	0	0	0	115.3	P275	P275-G277 PolarHBondContact O-N 3.18Å
278	S	73.3	Confident	80.7	Confident	64 Å²	64	58.1 Å²	58.1	45%	0.448	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-9.7	-176.9	-57.6	0	0	0	0	113.2	P275 Q280 Y281	P275-S278 PolarHBondContact O-N 2.91Å; S278-Q280 VanDerWaalsContact C-N 3.27Å; S278-Q280 PolarHBondContact O-N 2.79Å; S278-Y281 PolarHBondContact O-N 2.98Å
279	Q	69.3	Low	80.6	Confident	77 Å²	77	58.1 Å²	58.1	36%	0.36	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32	-175.7	-165.9	178.5	0.7	0	0	113.3	P275 G360	P275-Q279 PolarHBondContact O-N 2.97Å; Q279-G360 PolarHBondContact NE2-O 3Å; Q279-G360 VanDerWaalsContact NE2-O 3.13Å
280	Q	65.7	Low	80.5	Confident	174 Å²	174	58.2 Å²	58.2	81%	0.813	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.5	-179.3	-65.5	-177.4	0.3	0	0	113.9	S278	S278-Q280 VanDerWaalsContact C-N 3.27Å; S278-Q280 PolarHBondContact O-N 2.79Å
281	Y	67.6	Low	80.4	Confident	199 Å²	199	64.5 Å²	64.5	78%	0.78	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-11	-173.2	-60.6	-77.7	0	0	0	113.4	S278	S278-Y281 PolarHBondContact O-N 2.98Å
282	R	70.1	Confident	80.3	Confident	104 Å²	104	65.3 Å²	65.3	39%	0.392	34%	0.335	S	S	.	.			trans	-99.6	118.2	-175.4	-166.2	173.2	-177.5	172.8	2.3	111	L284 E288	R282-L284 PolarHBondContact O-N 3.43Å; R282-E288 IonicContact CZ-OE2 2.76Å; R282-E288 IonicContact NE-OE2 3.6Å; R282-E288 PolarHBondContact NE-OE2 3.35Å; R282-E288 IonicContact NH2-OE2 3.77Å; R282-E288 PolarHBondContact NH2-OE2 3.33Å
283	A	67.9	Low	80.2	Confident	74 Å²	74	65.1 Å²	65.1	61%	0.612	33%	0.333	S	S	*	.			trans	-76.1	109.6	167.4	0	0	0	0	0	108.7
284	L	82.1	Confident	80.4	Confident	38 Å²	38	65.7 Å²	65.7	20%	0.199	34%	0.335	C	S	.	.			trans	-74.9	133.1	173.2	-71.6	154.2	0	0	0	108.8	P272 R282 L289 M363	P272-L284 HydrophobicContact CB-CD2 3.36Å; P272-L284 HydrophobicContact CG-CD1 3.83Å; P272-L284 HydrophobicContact CG-CD2 3.56Å; P272-L284 HydrophobicContact CG-CG 4.35Å; R282-L284 PolarHBondContact O-N 3.43Å; L284-L289 HydrophobicContact CD2-CD2 4.15Å; L284-M363 VanDerWaalsContact C-CE 3.45Å; L284-M363 HydrophobicContact CB-CE 3.98Å; L284-M363 WeakPolarHBondContact O-CE 3.33Å
285	T	89.7	Confident	81	Confident	54 Å²	54	66.1 Å²	66.1	33%	0.331	34%	0.337	S	S	.	.			trans	-131.2	158.9	176.2	64.5	0	0	0	0	109.7	E288 L289	T285-E288 PolarHBondContact O-N 3.31Å; T285-E288 WeakPolarHBondContact OG1-CG 3.46Å; T285-E288 PolarHBondContact OG1-N 3.13Å; T285-L289 WeakPolarHBondContact O-CG 3.44Å; T285-L289 PolarHBondContact O-N 3.03Å
286	V	90.2	Very high	81.4	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.024	34%	0.34	C	S	.	.	H	α-helix	trans	-57.9	-46.2	178.5	177.2	0	0	0	0	111.8	E288 L289 T290 M321 E325 V326 Q329	V286-E288 VanDerWaalsContact C-N 3.32Å; V286-E288 PolarHBondContact O-N 3.22Å; V286-L289 PolarHBondContact O-N 3.07Å; V286-T290 PolarHBondContact O-N 2.93Å; V286-T290 PolarHBondContact O-OG1 3.32Å; V286-T290 VanDerWaalsContact O-OG1 3.14Å; V286-M321 HydrophobicContact CG2-CB 3.96Å; V286-M321 HydrophobicContact CG2-SD 4.1Å; V286-E325 HydrophobicContact CB-CG 4.21Å; V286-E325 HydrophobicContact CG1-CG 4.34Å; V286-V326 HydrophobicContact CG1-CB 4.3Å; V286-V326 HydrophobicContact CG1-CG2 3.76Å; V286-V326 HydrophobicContact CG2-CG2 4.35Å; V286-Q329 HydrophobicContact CG1-CB 4.47Å; V286-Q329 HydrophobicContact CG1-CG 4.19Å
287	P	91.6	Very high	82.1	Confident	43 Å²	43	64.8 Å²	64.8	28%	0.279	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-39.6	176.1	-24.1	33.6	0	0	0	113.6	T290 Q291 Q329	P287-T290 PolarHBondContact O-N 3.07Å; P287-Q291 WeakPolarHBondContact O-CB 3.3Å; P287-Q291 PolarHBondContact O-N 3.29Å; P287-Q329 HydrophobicContact CB-CG 4.35Å; P287-Q329 HydrophobicContact CG-CG 3.98Å
288	E	89.4	Confident	82.9	Confident	58 Å²	58	62.3 Å²	62.3	27%	0.271	31%	0.307	S	S	.	.	H	α-helix	trans	-67.5	-36.6	177.5	-78.9	-170	-148.2	0	0	112.9	R282 T285 V286 Q292	R282-E288 IonicContact CZ-OE2 2.76Å; R282-E288 IonicContact NE-OE2 3.6Å; R282-E288 PolarHBondContact NE-OE2 3.35Å; R282-E288 IonicContact NH2-OE2 3.77Å; R282-E288 PolarHBondContact NH2-OE2 3.33Å; T285-E288 PolarHBondContact O-N 3.31Å; T285-E288 WeakPolarHBondContact OG1-CG 3.46Å; T285-E288 PolarHBondContact OG1-N 3.13Å; V286-E288 VanDerWaalsContact C-N 3.32Å; V286-E288 PolarHBondContact O-N 3.22Å; E288-Q292 WeakPolarHBondContact O-CB 3.42Å; E288-Q292 WeakPolarHBondContact O-CG 3.46Å; E288-Q292 PolarHBondContact O-N 3.46Å
289	L	90.8	Very high	83.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-50.5	174.7	-71.5	175.6	0	0	0	110.1	A271 P272 L284 T285 V286 Q291 Q292 M293 F317 M363	A271-L289 HydrophobicContact CB-CD2 4.26Å; P272-L289 HydrophobicContact CB-CD2 4.2Å; P272-L289 HydrophobicContact CG-CD2 4.34Å; L284-L289 HydrophobicContact CD2-CD2 4.15Å; T285-L289 WeakPolarHBondContact O-CG 3.44Å; T285-L289 PolarHBondContact O-N 3.03Å; V286-L289 PolarHBondContact O-N 3.07Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; L289-Q291 PolarHBondContact O-N 3.23Å; L289-Q292 PolarHBondContact O-N 3.26Å; L289-Q292 VanDerWaalsContact O-N 3.11Å; L289-M293 VanDerWaalsContact O-CG 3.32Å; L289-M293 WeakPolarHBondContact O-CG 3.22Å; L289-M293 PolarHBondContact O-N 3.24Å; L289-F317 HydrophobicContact CB-CE1 4.24Å; L289-M363 HydrophobicContact CD1-CB 3.87Å
290	T	91.1	Very high	84.6	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-58.4	-43.5	177.6	-56.4	0	0	0	0	111.5	V286 P287 Q292 M293 F294 Q329 M330 M333	V286-T290 PolarHBondContact O-N 2.93Å; V286-T290 PolarHBondContact O-OG1 3.32Å; V286-T290 VanDerWaalsContact O-OG1 3.14Å; P287-T290 PolarHBondContact O-N 3.07Å; T290-Q292 VanDerWaalsContact C-N 3.34Å; T290-Q292 PolarHBondContact O-N 2.92Å; T290-M293 PolarHBondContact O-N 2.95Å; T290-F294 HydrophobicContact CG2-CD2 4.48Å; T290-F294 HydrophobicContact CG2-CE2 4.37Å; T290-F294 WeakPolarHBondContact O-CD2 3.42Å; T290-Q329 HydrophobicContact CG2-CB 4.33Å; T290-M330 HydrophobicContact CG2-SD 3.73Å; T290-M333 HydrophobicContact CG2-CB 4.17Å; T290-M333 HydrophobicContact CG2-CG 4.45Å
291	Q	89.5	Confident	85.7	Confident	137 Å²	137	47.6 Å²	47.6	64%	0.64	23%	0.232	S	C	*	.	H	α-helix	trans	-63.5	-40.2	177.2	-172.7	178.4	11.9	0	0	112.3	P287 L289 D295	P287-Q291 WeakPolarHBondContact O-CB 3.3Å; P287-Q291 PolarHBondContact O-N 3.29Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; L289-Q291 PolarHBondContact O-N 3.23Å; Q291-D295 PolarHBondContact O-N 3.41Å
292	Q	89.6	Confident	86.7	Confident	17 Å²	17	39.8 Å²	39.8	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-34.4	177.5	-84.4	-179.8	64.7	0	0	112.8	A271 E288 L289 T290 F294 D295 N298	A271-Q292 HydrophobicContact CB-CB 3.75Å; E288-Q292 WeakPolarHBondContact O-CB 3.42Å; E288-Q292 WeakPolarHBondContact O-CG 3.46Å; E288-Q292 PolarHBondContact O-N 3.46Å; L289-Q292 PolarHBondContact O-N 3.26Å; L289-Q292 VanDerWaalsContact O-N 3.11Å; T290-Q292 VanDerWaalsContact C-N 3.34Å; T290-Q292 PolarHBondContact O-N 2.92Å; Q292-F294 VanDerWaalsContact C-N 3.26Å; Q292-F294 PolarHBondContact O-N 3.49Å; Q292-D295 PolarHBondContact O-N 3.48Å; Q292-N298 VanDerWaalsContact CB-ND2 3.33Å; Q292-N298 WeakPolarHBondContact CB-ND2 3.43Å; Q292-N298 WeakPolarHBondContact O-CB 3.17Å; Q292-N298 PolarHBondContact O-ND2 3.47Å
293	M	89	Confident	87.4	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-36.5	178.8	-75.2	170	68.3	0	0	112.6	A271 L289 T290 M299 F317 S365 F367	A271-M293 HydrophobicContact CB-CG 4.37Å; L289-M293 VanDerWaalsContact O-CG 3.32Å; L289-M293 WeakPolarHBondContact O-CG 3.22Å; L289-M293 PolarHBondContact O-N 3.24Å; T290-M293 PolarHBondContact O-N 2.95Å; M293-M299 WeakPolarHBondContact O-CE 3.38Å; M293-F317 HydrophobicContact CE-CE2 4.25Å; M293-F317 HydrophobicContact CE-CZ 4.24Å; M293-F317 HydrophobicContact SD-CE1 3.95Å; M293-F317 HydrophobicContact SD-CE2 4.07Å; M293-F317 HydrophobicContact SD-CZ 3.49Å; M293-F317 WeakPolarHBondContact SD-CZ 3.43Å; M293-S365 VanDerWaalsContact CG-OG 3.27Å; M293-S365 WeakPolarHBondContact CG-OG 3.07Å; M293-S365 WeakPolarHBondContact SD-CB 3.27Å; M293-S365 PolarHBondContact SD-OG 3.44Å; M293-F367 HydrophobicContact CB-CB 4.25Å; M293-F367 HydrophobicContact CB-CD2 4.24Å; M293-F367 HydrophobicContact CE-CB 3.97Å; M293-F367 HydrophobicContact CE-CD2 3.91Å; M293-F367 HydrophobicContact CE-CG 4.47Å; M293-F367 HydrophobicContact CG-CB 4.34Å
294	F	88.7	Confident	88.4	Confident	19 Å²	19	34 Å²	34	8%	0.083	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7.1	179.6	-70.5	-84.3	0	0	0	113.6	T290 Q292 Y310 V313 M330 M333 F341 F367	T290-F294 HydrophobicContact CG2-CD2 4.48Å; T290-F294 HydrophobicContact CG2-CE2 4.37Å; T290-F294 WeakPolarHBondContact O-CD2 3.42Å; Q292-F294 VanDerWaalsContact C-N 3.26Å; Q292-F294 PolarHBondContact O-N 3.49Å; F294-Y310 HydrophobicContact CD1-CE2 4.1Å; F294-Y310 HydrophobicContact CE1-CE2 4.25Å; F294-V313 HydrophobicContact CE1-CG1 4.49Å; F294-V313 HydrophobicContact CZ-CG1 4.25Å; F294-M330 HydrophobicContact CE2-CE 4.01Å; F294-M330 HydrophobicContact CE2-SD 4.09Å; F294-M330 HydrophobicContact CZ-CE 4.03Å; F294-M333 HydrophobicContact CB-CE 3.37Å; F294-M333 HydrophobicContact CD2-CE 3.91Å; F294-M333 HydrophobicContact CD2-CG 3.61Å; F294-M333 HydrophobicContact CE2-CB 4.42Å; F294-M333 HydrophobicContact CE2-CG 3.79Å; F294-M333 HydrophobicContact CG-CE 3.78Å; F294-M333 HydrophobicContact CG-CG 4.15Å; F294-M333 HydrophobicContact CZ-CG 4.45Å; F294-F341 HydrophobicContact CE1-CE1 4.36Å; F294-F341 AromaticContact CE1-CZ 3.7Å; F294-F341 HydrophobicContact CE1-CZ 3.7Å; F294-F341 HydrophobicContact CZ-CZ 4.1Å; F294-F367 HydrophobicContact CD1-CE2 4.13Å; F294-F367 AromaticContact CE1-CE2 3.77Å; F294-F367 HydrophobicContact CE1-CE2 3.77Å; F294-F367 HydrophobicContact CE1-CZ 4.36Å; F294-F367 HydrophobicContact CZ-CE2 4.08Å
295	D	88.9	Confident	88.6	Confident	30 Å²	30	32.4 Å²	32.4	16%	0.16	17%	0.168	C	C	.	.			trans	-78.9	125.9	172.8	-166.7	-12.7	0	0	0	109.5	Q291 Q292 R297 N298	Q291-D295 PolarHBondContact O-N 3.41Å; Q292-D295 PolarHBondContact O-N 3.48Å; D295-R297 PolarHBondContact O-N 3.13Å; D295-R297 PolarHBondContact OD1-N 3.49Å; D295-R297 IonicContact OD1-NE 3.68Å; D295-R297 PolarHBondContact OD1-NE 3.05Å; D295-R297 IonicContact OD2-CZ 2.71Å; D295-R297 VanDerWaalsContact OD2-CZ 3.26Å; D295-R297 IonicContact OD2-NE 3.67Å; D295-R297 PolarHBondContact OD2-NE 2.99Å; D295-R297 IonicContact OD2-NH2 2.96Å; D295-R297 PolarHBondContact OD2-NH2 3.09Å; D295-N298 PolarHBondContact O-N 3.43Å
296	A	86.4	Confident	88.6	Confident	31 Å²	31	37 Å²	37	26%	0.256	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-53.1	-29	176.2	0	0	0	0	0	112.5	N298 M299	A296-N298 PolarHBondContact O-N 2.93Å; A296-M299 PolarHBondContact O-N 3.2Å
297	R	85.6	Confident	88.5	Confident	172 Å²	172	44.5 Å²	44.5	65%	0.649	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-70.9	-15	179.7	-63.6	179.6	-68.1	178.8	1.3	114.6	I210 D295	I210-R297 VanDerWaalsContact CG1-O 3.3Å; I210-R297 WeakPolarHBondContact CG1-O 3.5Å; D295-R297 PolarHBondContact O-N 3.13Å; D295-R297 PolarHBondContact OD1-N 3.49Å; D295-R297 IonicContact OD1-NE 3.68Å; D295-R297 PolarHBondContact OD1-NE 3.05Å; D295-R297 IonicContact OD2-CZ 2.71Å; D295-R297 VanDerWaalsContact OD2-CZ 3.26Å; D295-R297 IonicContact OD2-NE 3.67Å; D295-R297 PolarHBondContact OD2-NE 2.99Å; D295-R297 IonicContact OD2-NH2 2.96Å; D295-R297 PolarHBondContact OD2-NH2 3.09Å
298	N	85.1	Confident	88.4	Confident	9 Å²	9	42.7 Å²	42.7	5%	0.048	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-106.7	3.4	-178.1	-64.5	-14.8	0	0	0	112.6	G269 L273 Q292 D295 A296	G269-N298 WeakPolarHBondContact CA-O 3.33Å; L273-N298 HydrophobicContact CD1-CB 3.9Å; Q292-N298 VanDerWaalsContact CB-ND2 3.33Å; Q292-N298 WeakPolarHBondContact CB-ND2 3.43Å; Q292-N298 WeakPolarHBondContact O-CB 3.17Å; Q292-N298 PolarHBondContact O-ND2 3.47Å; D295-N298 PolarHBondContact O-N 3.43Å; A296-N298 PolarHBondContact O-N 2.93Å
299	M	89.2	Confident	88.5	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.015	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-75.6	134.9	173.9	-63.8	-62.6	160.2	0	0	109.6	I210 M267 M293 A296 A301 P305 F367	I210-M299 WeakPolarHBondContact CD1-O 3.37Å; M267-M299 HydrophobicContact CE-CB 4.47Å; M267-M299 HydrophobicContact CE-CG 4.44Å; M293-M299 WeakPolarHBondContact O-CE 3.38Å; A296-M299 PolarHBondContact O-N 3.2Å; M299-A301 PolarHBondContact O-N 3.18Å; M299-P305 HydrophobicContact CE-CG 4.09Å; M299-P305 HydrophobicContact CG-CG 3.81Å; M299-P305 HydrophobicContact SD-CG 4.37Å; M299-F367 HydrophobicContact CE-CD1 3.71Å; M299-F367 HydrophobicContact CE-CE1 3.55Å; M299-F367 HydrophobicContact CE-CG 4.44Å; M299-F367 HydrophobicContact CE-CZ 4.16Å; M299-F367 HydrophobicContact SD-CD1 3.77Å; M299-F367 HydrophobicContact SD-CE1 3.79Å
300	M	89.3	Confident	88.6	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	20%	0.197	C	C	.	.	S	Bend	trans	-84.1	3.4	175.7	-57.8	-64	-179.8	0	0	112	D203 L207 I210 L228 P268 F270 L273	D203-M300 PolarHBondContact N-O 2.87Å; L207-M300 HydrophobicContact CD2-SD 3.41Å; L207-M300 WeakPolarHBondContact CD2-SD 3.33Å; I210-M300 HydrophobicContact CD1-CE 4.27Å; I210-M300 HydrophobicContact CD1-SD 3.59Å; I210-M300 VanDerWaalsContact CD1-SD 3.59Å; L228-M300 HydrophobicContact CB-CE 4.16Å; L228-M300 HydrophobicContact CD2-CE 4.4Å; P268-M300 HydrophobicContact CG-CB 4.12Å; P268-M300 WeakPolarHBondContact O-CB 3.32Å; P268-M300 PolarHBondContact O-N 3.14Å; F270-M300 HydrophobicContact CB-CE 3.79Å; L273-M300 HydrophobicContact CD2-CE 4.42Å
301	A	88.6	Confident	88.7	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.017	20%	0.196	C	C	.	.	S	Bend	trans	-115.8	133.1	173.4	0	0	0	0	0	108.2	M267 M299 C303 I374 I377	M267-A301 HydrophobicContact CB-CB 4.28Å; M267-A301 HydrophobicContact CE-CB 3.96Å; M267-A301 HydrophobicContact CG-CB 4.01Å; M299-A301 PolarHBondContact O-N 3.18Å; A301-C303 PolarHBondContact O-N 3.02Å; A301-I374 HydrophobicContact CB-CD1 4.29Å; A301-I377 HydrophobicContact CB-CD1 3.71Å
302	A	87.4	Confident	88.9	Confident	35 Å²	35	37.3 Å²	37.3	29%	0.289	17%	0.167	S	C	.	.	S	Bend	trans	-80.3	57.3	-175.6	0	0	0	0	0	112.3	D203 E205 A206	D203-A302 HydrophobicContact CB-CB 4.4Å; D203-A302 WeakPolarHBondContact OD2-CB 3.11Å; D203-A302 PolarHBondContact OD2-N 2.92Å; E205-A302 HydrophobicContact CB-CB 4.05Å; E205-A302 HydrophobicContact CG-CB 4.03Å; A206-A302 HydrophobicContact CB-CB 4.07Å
303	C	86.3	Confident	89	Confident	8 Å²	8	36.5 Å²	36.5	5%	0.054	16%	0.163	C	C	.	.	S	Bend	trans	-122.8	151.9	171.3	-41.9	0	0	0	0	109.9	M267 A301 P305 A373 E376 I377	M267-C303 HydrophobicContact CE-CB 3.63Å; M267-C303 HydrophobicContact SD-CB 4.4Å; A301-C303 PolarHBondContact O-N 3.02Å; C303-P305 VanDerWaalsContact O-CD 3.32Å; C303-P305 WeakPolarHBondContact O-CD 3.3Å; C303-A373 HydrophobicContact CB-CB 4.22Å; C303-A373 WeakPolarHBondContact CB-O 3.45Å; C303-A373 PolarHBondContact SG-O 3.28Å; C303-E376 WeakPolarHBondContact CA-OE2 3.48Å; C303-E376 HydrophobicContact CB-CB 4.34Å; C303-I377 WeakPolarHBondContact SG-CD1 3.29Å; C303-I377 WeakPolarHBondContact SG-CG1 3.48Å
304	D	87.6	Confident	89.1	Confident	48 Å²	48	36.7 Å²	36.7	26%	0.257	17%	0.166	S	C	.	.			trans	-88.4	110.6	168.7	-172.9	-8.4	0	0	0	110	R306 R307 A373 E376	D304-R306 PolarHBondContact O-N 2.96Å; D304-R306 VanDerWaalsContact OD1-CB 3.31Å; D304-R306 WeakPolarHBondContact OD1-CB 3.38Å; D304-R306 WeakPolarHBondContact OD1-CG 3.44Å; D304-R306 PolarHBondContact OD1-N 3.02Å; D304-R307 HydrophobicContact CB-CG 4.08Å; D304-R307 PolarHBondContact O-N 2.76Å; D304-A373 WeakPolarHBondContact O-CB 3.36Å; D304-E376 PolarHBondContact N-OE2 3.44Å
305	P	87.3	Confident	89.1	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.032	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-62.7	-15.4	-178.2	-19	32	0	0	0	113.8	M267 M299 C303 R307 Y310 N371	M267-P305 HydrophobicContact CE-CG 4.24Å; M299-P305 HydrophobicContact CE-CG 4.09Å; M299-P305 HydrophobicContact CG-CG 3.81Å; M299-P305 HydrophobicContact SD-CG 4.37Å; C303-P305 VanDerWaalsContact O-CD 3.32Å; C303-P305 WeakPolarHBondContact O-CD 3.3Å; P305-R307 VanDerWaalsContact C-N 3.29Å; P305-Y310 HydrophobicContact CB-CE1 4.41Å; P305-Y310 HydrophobicContact CB-CE2 4.27Å; P305-Y310 WeakPolarHBondContact CB-OH 3.47Å; P305-N371 PolarHBondContact O-ND2 2.96Å
306	R	88.3	Confident	89.2	Confident	151 Å²	151	34.9 Å²	34.9	57%	0.57	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-76.2	-16.1	177.4	-59.4	174.4	-177.6	179.1	3.2	113.2	D304 G308 Y340	D304-R306 PolarHBondContact O-N 2.96Å; D304-R306 VanDerWaalsContact OD1-CB 3.31Å; D304-R306 WeakPolarHBondContact OD1-CB 3.38Å; D304-R306 WeakPolarHBondContact OD1-CG 3.44Å; D304-R306 PolarHBondContact OD1-N 3.02Å; R306-G308 VanDerWaalsContact C-N 3.33Å; R306-Y340 HydrophobicContact CB-CE1 4.05Å; R306-Y340 VanDerWaalsContact O-CE1 3.31Å; R306-Y340 WeakPolarHBondContact O-CE1 3.21Å
307	R	88.5	Confident	89.5	Confident	161 Å²	161	33.4 Å²	33.4	61%	0.608	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-85.6	-10.3	177.2	-67	178.9	177.5	-171.7	-1.5	113	D304 P305 E376 Q426	D304-R307 HydrophobicContact CB-CG 4.08Å; D304-R307 PolarHBondContact O-N 2.76Å; P305-R307 VanDerWaalsContact C-N 3.29Å; R307-E376 WeakPolarHBondContact CD-OE1 2.95Å; R307-E376 IonicContact CZ-OE1 2.76Å; R307-E376 IonicContact NE-OE1 3.24Å; R307-E376 IonicContact NH1-OE1 3.72Å; R307-E376 PolarHBondContact NH1-OE1 3.43Å; R307-Q426 PolarHBondContact O-NE2 3.11Å
308	G	89.4	Confident	89.7	Confident	4 Å²	4	25.3 Å²	25.3	4%	0.041	11%	0.114	C	C	.	.	S	Bend	trans	-124.9	-168.3	176.3	0	0	0	0	0	112.3	R306 T372	R306-G308 VanDerWaalsContact C-N 3.33Å; G308-T372 VanDerWaalsContact CA-OG1 3.24Å; G308-T372 WeakPolarHBondContact CA-OG1 3.43Å
309	R	92.2	Very high	89.9	Confident	72 Å²	72	24.9 Å²	24.9	27%	0.272	11%	0.112	S	C	.	.			trans	-123.3	141	174.3	-65.5	-177.5	177.1	173.3	1.6	109.8	L311 Y340 V342 N371 T372 Q426 A428	R309-L311 PolarHBondContact O-N 2.77Å; R309-Y340 CarbonylContact C-O 3.51Å; R309-Y340 VanDerWaalsContact CA-O 3.3Å; R309-Y340 WeakPolarHBondContact CA-O 3.36Å; R309-V342 HydrophobicContact CB-CG1 4Å; R309-N371 PolarHBondContact N-OD1 3.22Å; R309-N371 WeakPolarHBondContact O-CA 3.42Å; R309-N371 PolarHBondContact O-OD1 2.51Å; R309-T372 PolarHBondContact N-OG1 2.97Å; R309-T372 PolarHBondContact O-N 3.14Å; R309-Q426 PolarHBondContact NH1-O 3.42Å; R309-A428 PolarHBondContact NH1-O 3.27Å; R309-A428 VanDerWaalsContact NH1-O 3.12Å
310	Y	93	Very high	89.7	Confident	8 Å²	8	35.5 Å²	35.5	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.9	171.2	-70.5	-71	0	0	0	109.7	F294 P305 V313 Y340 F341 V342 F367 N371	F294-Y310 HydrophobicContact CD1-CE2 4.1Å; F294-Y310 HydrophobicContact CE1-CE2 4.25Å; P305-Y310 HydrophobicContact CB-CE1 4.41Å; P305-Y310 HydrophobicContact CB-CE2 4.27Å; P305-Y310 WeakPolarHBondContact CB-OH 3.47Å; Y310-V313 HydrophobicContact CD1-CG2 3.6Å; Y310-V313 HydrophobicContact CE1-CG2 4.28Å; Y310-V313 HydrophobicContact CG-CG2 3.74Å; Y310-Y340 PolarHBondContact N-O 3.46Å; Y310-F341 HydrophobicContact CD2-CD1 4.39Å; Y310-F341 HydrophobicContact CD2-CE1 4.09Å; Y310-F341 HydrophobicContact CD2-CZ 4.2Å; Y310-F341 HydrophobicContact CG-CD1 4.45Å; Y310-F341 HydrophobicContact CG-CE1 4.26Å; Y310-V342 WeakPolarHBondContact O-CG2 3.47Å; Y310-V342 PolarHBondContact O-N 2.96Å; Y310-V342 VanDerWaalsContact O-N 3.08Å; Y310-F367 HydrophobicContact CD1-CZ 4.28Å; Y310-F367 HydrophobicContact CE1-CE1 4.05Å; Y310-F367 AromaticContact CE1-CZ 3.48Å; Y310-F367 HydrophobicContact CE1-CZ 3.48Å; Y310-F367 VanDerWaalsContact CE1-CZ 3.48Å; Y310-F367 AromaticContact CZ-CZ 3.81Å; Y310-N371 HydrophobicContact CD1-CB 3.62Å; Y310-N371 VanDerWaalsContact CD1-ND2 3.29Å; Y310-N371 WeakPolarHBondContact CD1-ND2 3.29Å; Y310-N371 HydrophobicContact CE1-CB 3.74Å; Y310-N371 WeakPolarHBondContact CE1-ND2 3.3Å; Y310-N371 HydrophobicContact CG-CB 4.44Å
311	L	93.1	Very high	89.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-56.4	167.2	-59.3	-178.1	0	0	0	108.8	P259 L263 R309 V342 W344 I345 N348 N370 T372	P259-L311 HydrophobicContact CG-CB 4.24Å; P259-L311 HydrophobicContact CG-CD1 4.13Å; L263-L311 HydrophobicContact CD1-CD1 4Å; R309-L311 PolarHBondContact O-N 2.77Å; L311-V342 HydrophobicContact CD2-CG1 3.78Å; L311-W344 HydrophobicContact CD2-CH2 4.27Å; L311-W344 HydrophobicContact CD2-CZ2 3.84Å; L311-I345 HydrophobicContact CB-CD1 4.4Å; L311-N348 WeakPolarHBondContact O-CB 3.36Å; L311-N348 PolarHBondContact O-ND2 3.46Å; L311-N370 HydrophobicContact CB-CB 4.35Å; L311-N370 PolarHBondContact N-O 3.32Å; L311-T372 HydrophobicContact CD2-CG2 4.24Å; L311-T372 HydrophobicContact CG-CG2 4.36Å
312	T	92.8	Very high	89.7	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.9	-179.4	63	0	0	0	0	110.4	N256 M257 I345 N348 N370	N256-T312 WeakPolarHBondContact O-CG2 3.42Å; M257-T312 WeakPolarHBondContact CA-OG1 3.35Å; M257-T312 PolarHBondContact O-OG1 3.43Å; T312-I345 HydrophobicContact CG2-CD1 4.4Å; T312-N348 WeakPolarHBondContact CA-O 3.36Å; T312-N370 PolarHBondContact N-O 2.85Å; T312-N370 PolarHBondContact O-N 3.04Å; T312-N370 WeakPolarHBondContact OG1-CB 3.48Å
313	V	92.8	Very high	89.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	132.9	178.9	172.7	0	0	0	0	109.5	F294 Y310 F341 N348 V349 K350 F367 I368	F294-V313 HydrophobicContact CE1-CG1 4.49Å; F294-V313 HydrophobicContact CZ-CG1 4.25Å; Y310-V313 HydrophobicContact CD1-CG2 3.6Å; Y310-V313 HydrophobicContact CE1-CG2 4.28Å; Y310-V313 HydrophobicContact CG-CG2 3.74Å; V313-F341 HydrophobicContact CG2-CE1 3.91Å; V313-N348 PolarHBondContact N-O 3.31Å; V313-V349 HydrophobicContact CB-CG2 4.33Å; V313-V349 HydrophobicContact CG1-CG1 4.46Å; V313-V349 CarbonylContact O-C 3.57Å; V313-V349 WeakPolarHBondContact O-CA 3.29Å; V313-K350 PolarHBondContact O-N 3.09Å; V313-F367 HydrophobicContact CB-CE2 4.45Å; V313-F367 HydrophobicContact CG1-CD2 4.04Å; V313-F367 HydrophobicContact CG1-CE2 3.38Å; V313-F367 HydrophobicContact CG1-CZ 4.1Å; V313-F367 HydrophobicContact CG2-CE2 4.25Å; V313-F367 HydrophobicContact CG2-CZ 4.23Å; V313-I368 CarbonylContact C-O 3.53Å; V313-I368 WeakPolarHBondContact CA-O 3.3Å
314	A	90.4	Very high	89.8	Confident	7 Å²	7	46.1 Å²	46.1	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130	165.9	0	0	0	0	0	110.8	M257 K350 I368	M257-A314 HydrophobicContact CE-CB 4.12Å; M257-A314 HydrophobicContact CG-CB 4.49Å; M257-A314 HydrophobicContact SD-CB 3.54Å; M257-A314 VanDerWaalsContact SD-CB 3.54Å; A314-K350 CarbonylContact C-O 3.57Å; A314-K350 VanDerWaalsContact CA-O 3.3Å; A314-K350 WeakPolarHBondContact CA-O 3.48Å; A314-I368 HydrophobicContact CB-CB 4.27Å; A314-I368 PolarHBondContact N-O 3.21Å; A314-I368 PolarHBondContact O-N 3.39Å
315	G	90.2	Very high	90	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.8	172.2	0	0	0	0	0	111	K350 V351 A352 T366	G315-K350 PolarHBondContact N-O 3.48Å; G315-V351 CarbonylContact O-C 3.54Å; G315-V351 WeakPolarHBondContact O-CA 3.39Å; G315-A352 PolarHBondContact O-N 3.17Å; G315-T366 WeakPolarHBondContact CA-O 3.39Å
316	V	90.9	Very high	90.2	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.055	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	102.6	176.1	-174.6	0	0	0	0	109	T238 A352 S365 T366	T238-V316 HydrophobicContact CG2-CG1 4.38Å; V316-A352 CarbonylContact C-O 3.55Å; V316-A352 WeakPolarHBondContact CA-O 3.29Å; V316-A352 HydrophobicContact CG2-CB 4.44Å; V316-S365 CarbonylContact O-C 3.52Å; V316-S365 VanDerWaalsContact O-CA 3.31Å; V316-S365 WeakPolarHBondContact O-CA 3.26Å; V316-T366 PolarHBondContact N-O 3.47Å; V316-T366 PolarHBondContact O-N 2.81Å
317	F	91.5	Very high	90.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	139	176.8	-69.9	-98.5	0	0	0	110.9	L289 M293 M321 V326 M330 V351 A352 V353 C354	L289-F317 HydrophobicContact CB-CE1 4.24Å; M293-F317 HydrophobicContact CE-CE2 4.25Å; M293-F317 HydrophobicContact CE-CZ 4.24Å; M293-F317 HydrophobicContact SD-CE1 3.95Å; M293-F317 HydrophobicContact SD-CE2 4.07Å; M293-F317 HydrophobicContact SD-CZ 3.49Å; M293-F317 WeakPolarHBondContact SD-CZ 3.43Å; F317-M321 HydrophobicContact CB-CE 3.88Å; F317-M321 HydrophobicContact CB-SD 3.55Å; F317-M321 VanDerWaalsContact CB-SD 3.55Å; F317-M321 HydrophobicContact CD1-CE 4.44Å; F317-M321 HydrophobicContact CD1-SD 3.78Å; F317-M321 HydrophobicContact CG-SD 4Å; F317-V326 HydrophobicContact CD1-CG1 4.21Å; F317-V326 HydrophobicContact CD1-CG2 4.41Å; F317-V326 HydrophobicContact CD2-CG1 3.46Å; F317-V326 VanDerWaalsContact CD2-CG1 3.46Å; F317-V326 HydrophobicContact CE1-CG1 4.15Å; F317-V326 HydrophobicContact CE2-CG1 3.38Å; F317-V326 HydrophobicContact CG-CG1 3.88Å; F317-V326 HydrophobicContact CG-CG2 4.4Å; F317-V326 HydrophobicContact CZ-CG1 3.75Å; F317-M330 HydrophobicContact CE2-CG 4.31Å; F317-M330 HydrophobicContact CE2-SD 4.14Å; F317-M330 HydrophobicContact CZ-CG 4.44Å; F317-M330 HydrophobicContact CZ-SD 4.09Å; F317-V351 HydrophobicContact CD2-CG1 3.94Å; F317-V351 HydrophobicContact CE2-CG1 4.16Å; F317-A352 PolarHBondContact N-O 3.4Å; F317-V353 HydrophobicContact CB-CG2 4.33Å; F317-V353 CarbonylContact O-C 3.54Å; F317-V353 WeakPolarHBondContact O-CA 3.38Å; F317-C354 PolarHBondContact O-N 2.95Å
318	R	90.5	Very high	90.4	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.011	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.1	-176.9	-61.6	-173	66.8	178.2	-0.7	110.9	E27 S234 T238 M321 C354 I356 M363 A364	E27-R318 IonicContact OE1-CZ 3.64Å; E27-R318 IonicContact OE1-NH1 2.91Å; E27-R318 PolarHBondContact OE1-NH1 3.14Å; E27-R318 IonicContact OE1-NH2 2.8Å; E27-R318 PolarHBondContact OE1-NH2 3.39Å; E27-R318 IonicContact OE2-CZ 3.75Å; E27-R318 IonicContact OE2-NH1 2.96Å; E27-R318 PolarHBondContact OE2-NH1 3.46Å; E27-R318 IonicContact OE2-NH2 2.86Å; E27-R318 PolarHBondContact OE2-NH2 2.85Å; S234-R318 PolarHBondContact OG-NH1 3.42Å; T238-R318 HydrophobicContact CG2-CG 3.97Å; T238-R318 VanDerWaalsContact OG1-CD 3.32Å; T238-R318 WeakPolarHBondContact OG1-CD 3.49Å; T238-R318 PolarHBondContact OG1-NE 3.39Å; T238-R318 PolarHBondContact OG1-NH1 3.11Å; R318-M321 VanDerWaalsContact O-CE 3.24Å; R318-M321 WeakPolarHBondContact O-CE 3.45Å; R318-C354 CarbonylContact C-O 3.58Å; R318-C354 VanDerWaalsContact CA-O 3.3Å; R318-C354 WeakPolarHBondContact CA-O 3.2Å; R318-C354 HydrophobicContact CG-CB 4.5Å; R318-I356 PolarHBondContact NE-O 3.28Å; R318-I356 VanDerWaalsContact NE-O 3.16Å; R318-I356 PolarHBondContact NH2-O 3.03Å; R318-M363 CarbonylContact O-C 3.53Å; R318-M363 VanDerWaalsContact O-CA 3.23Å; R318-M363 WeakPolarHBondContact O-CA 3.41Å; R318-A364 PolarHBondContact N-O 3.37Å; R318-A364 PolarHBondContact O-N 3.11Å
319	G	88.4	Confident	90.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	108.2	168.9	-177.8	0	0	0	0	0	112.8	M321 C354	G319-M321 WeakPolarHBondContact O-CE 3.33Å; G319-M321 PolarHBondContact O-N 3.27Å; G319-M321 VanDerWaalsContact O-N 3.1Å; G319-C354 PolarHBondContact N-O 3.39Å
320	R	85.9	Confident	90.5	Very high	225 Å²	225	40.9 Å²	40.9	85%	0.849	19%	0.194	S	C	*	.	S	Bend	trans	-71.9	105.8	-176.7	-64.4	-176.5	-177.4	-176.6	0.5	110.7
321	M	88.2	Confident	90.3	Very high	26 Å²	26	44.8 Å²	44.8	13%	0.128	22%	0.215	C	C	.	.			trans	-145.1	161	178.2	64.9	-169.3	82	0	0	111.9	V286 F317 R318 G319 T323 V326 V353 M363	V286-M321 HydrophobicContact CG2-CB 3.96Å; V286-M321 HydrophobicContact CG2-SD 4.1Å; F317-M321 HydrophobicContact CB-CE 3.88Å; F317-M321 HydrophobicContact CB-SD 3.55Å; F317-M321 VanDerWaalsContact CB-SD 3.55Å; F317-M321 HydrophobicContact CD1-CE 4.44Å; F317-M321 HydrophobicContact CD1-SD 3.78Å; F317-M321 HydrophobicContact CG-SD 4Å; R318-M321 VanDerWaalsContact O-CE 3.24Å; R318-M321 WeakPolarHBondContact O-CE 3.45Å; G319-M321 WeakPolarHBondContact O-CE 3.33Å; G319-M321 PolarHBondContact O-N 3.27Å; G319-M321 VanDerWaalsContact O-N 3.1Å; M321-T323 PolarHBondContact O-N 3.05Å; M321-V326 HydrophobicContact CG-CG2 3.87Å; M321-V326 HydrophobicContact SD-CG2 3.54Å; M321-V326 VanDerWaalsContact SD-CG2 3.54Å; M321-V353 HydrophobicContact CG-CG1 3.9Å; M321-M363 HydrophobicContact CB-SD 4.46Å; M321-M363 HydrophobicContact CE-CB 4.33Å; M321-M363 HydrophobicContact CE-CG 4.27Å; M321-M363 HydrophobicContact CE-SD 4.39Å
322	S	88.6	Confident	90.3	Very high	61 Å²	61	47 Å²	47	43%	0.427	23%	0.234	S	C	.	.			trans	-77.4	118.3	176.7	178.5	0	0	0	0	109.9	K324 E325 V326	S322-K324 PolarHBondContact O-N 3.23Å; S322-E325 WeakPolarHBondContact O-CB 3.44Å; S322-E325 PolarHBondContact O-N 3.04Å; S322-V326 WeakPolarHBondContact O-CG2 3.32Å; S322-V326 PolarHBondContact O-N 2.99Å; S322-V326 VanDerWaalsContact O-N 3.12Å
323	T	86.6	Confident	90.1	Very high	48 Å²	48	48.2 Å²	48.2	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-57	-39.4	177	50.7	0	0	0	0	111.8	M321 E325 V326 D327 V353	M321-T323 PolarHBondContact O-N 3.05Å; T323-E325 VanDerWaalsContact C-N 3.32Å; T323-E325 PolarHBondContact O-N 3.31Å; T323-V326 PolarHBondContact O-N 3.42Å; T323-D327 PolarHBondContact O-N 2.97Å; T323-V353 HydrophobicContact CG2-CB 4.14Å; T323-V353 HydrophobicContact CG2-CG1 4.36Å; T323-V353 HydrophobicContact CG2-CG2 4.03Å
324	K	90.1	Very high	89.8	Confident	135 Å²	135	50.6 Å²	50.6	59%	0.587	25%	0.25	S	S	*	.	H	α-helix	trans	-58.2	-42.7	174.5	179.7	178.5	171.2	-179.8	0	112.5	S322 D327 E328	S322-K324 PolarHBondContact O-N 3.23Å; K324-D327 PolarHBondContact O-N 3.45Å; K324-E328 WeakPolarHBondContact CE-OE1 3.31Å; K324-E328 IonicContact NZ-OE1 3.78Å; K324-E328 WeakPolarHBondContact O-CB 3.45Å; K324-E328 VanDerWaalsContact O-CG 3.3Å; K324-E328 WeakPolarHBondContact O-CG 3.43Å; K324-E328 PolarHBondContact O-N 3.06Å
325	E	91.8	Very high	89.7	Confident	75 Å²	75	56.6 Å²	56.6	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-67.1	-40.2	179.4	-173.4	-178.7	-179.4	0	0	110.8	V286 S322 T323 E328 Q329	V286-E325 HydrophobicContact CB-CG 4.21Å; V286-E325 HydrophobicContact CG1-CG 4.34Å; S322-E325 WeakPolarHBondContact O-CB 3.44Å; S322-E325 PolarHBondContact O-N 3.04Å; T323-E325 VanDerWaalsContact C-N 3.32Å; T323-E325 PolarHBondContact O-N 3.31Å; E325-E328 PolarHBondContact O-N 3.04Å; E325-Q329 WeakPolarHBondContact O-CB 3.5Å; E325-Q329 VanDerWaalsContact O-CG 3.28Å; E325-Q329 WeakPolarHBondContact O-CG 3.1Å; E325-Q329 PolarHBondContact O-N 3.08Å
326	V	90.2	Very high	89.7	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-48	175.8	-177.7	0	0	0	0	110.8	V286 F317 M321 S322 T323 E328 Q329 M330 V351 V353	V286-V326 HydrophobicContact CG1-CB 4.3Å; V286-V326 HydrophobicContact CG1-CG2 3.76Å; V286-V326 HydrophobicContact CG2-CG2 4.35Å; F317-V326 HydrophobicContact CD1-CG1 4.21Å; F317-V326 HydrophobicContact CD1-CG2 4.41Å; F317-V326 HydrophobicContact CD2-CG1 3.46Å; F317-V326 VanDerWaalsContact CD2-CG1 3.46Å; F317-V326 HydrophobicContact CE1-CG1 4.15Å; F317-V326 HydrophobicContact CE2-CG1 3.38Å; F317-V326 HydrophobicContact CG-CG1 3.88Å; F317-V326 HydrophobicContact CG-CG2 4.4Å; F317-V326 HydrophobicContact CZ-CG1 3.75Å; M321-V326 HydrophobicContact CG-CG2 3.87Å; M321-V326 HydrophobicContact SD-CG2 3.54Å; M321-V326 VanDerWaalsContact SD-CG2 3.54Å; S322-V326 WeakPolarHBondContact O-CG2 3.32Å; S322-V326 PolarHBondContact O-N 2.99Å; S322-V326 VanDerWaalsContact O-N 3.12Å; T323-V326 PolarHBondContact O-N 3.42Å; V326-E328 PolarHBondContact O-N 3.04Å; V326-Q329 PolarHBondContact O-N 3.02Å; V326-M330 HydrophobicContact CG1-CG 4.33Å; V326-M330 WeakPolarHBondContact O-CB 3.39Å; V326-M330 VanDerWaalsContact O-CG 3.3Å; V326-M330 WeakPolarHBondContact O-CG 3.46Å; V326-M330 PolarHBondContact O-N 2.89Å; V326-V351 HydrophobicContact CG1-CG1 3.47Å; V326-V351 VanDerWaalsContact CG1-CG1 3.47Å; V326-V353 HydrophobicContact CG2-CG2 4.35Å
327	D	89.5	Confident	89.5	Confident	88 Å²	88	66 Å²	66	47%	0.471	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-43.3	179.8	-69.1	-23.9	0	0	0	111.8	T323 K324 Q329 M330 L331	T323-D327 PolarHBondContact O-N 2.97Å; K324-D327 PolarHBondContact O-N 3.45Å; D327-Q329 PolarHBondContact O-N 2.88Å; D327-M330 PolarHBondContact O-N 3.23Å; D327-L331 VanDerWaalsContact O-CB 3.31Å; D327-L331 WeakPolarHBondContact O-CB 3.49Å; D327-L331 PolarHBondContact O-N 2.84Å
328	E	92.3	Very high	89.3	Confident	101 Å²	101	69.9 Å²	69.9	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-43.1	176	-76.3	175.6	178.3	0	0	111.9	K324 E325 V326 A332	K324-E328 WeakPolarHBondContact CE-OE1 3.31Å; K324-E328 IonicContact NZ-OE1 3.78Å; K324-E328 WeakPolarHBondContact O-CB 3.45Å; K324-E328 VanDerWaalsContact O-CG 3.3Å; K324-E328 WeakPolarHBondContact O-CG 3.43Å; K324-E328 PolarHBondContact O-N 3.06Å; E325-E328 PolarHBondContact O-N 3.04Å; V326-E328 PolarHBondContact O-N 3.04Å; E328-A332 VanDerWaalsContact O-CB 3.28Å; E328-A332 WeakPolarHBondContact O-CB 3.33Å; E328-A332 PolarHBondContact O-N 3.12Å
329	Q	92.6	Very high	89.1	Confident	59 Å²	59	73.2 Å²	73.2	28%	0.276	37%	0.374	S	S	.	.	H	α-helix	trans	-68.9	-40.1	178.6	-69.5	-53.4	-55.7	0	0	112.5	V286 P287 T290 E325 V326 D327 A332 M333	V286-Q329 HydrophobicContact CG1-CB 4.47Å; V286-Q329 HydrophobicContact CG1-CG 4.19Å; P287-Q329 HydrophobicContact CB-CG 4.35Å; P287-Q329 HydrophobicContact CG-CG 3.98Å; T290-Q329 HydrophobicContact CG2-CB 4.33Å; E325-Q329 WeakPolarHBondContact O-CB 3.5Å; E325-Q329 VanDerWaalsContact O-CG 3.28Å; E325-Q329 WeakPolarHBondContact O-CG 3.1Å; E325-Q329 PolarHBondContact O-N 3.08Å; V326-Q329 PolarHBondContact O-N 3.02Å; D327-Q329 PolarHBondContact O-N 2.88Å; Q329-A332 PolarHBondContact O-N 2.9Å; Q329-M333 WeakPolarHBondContact O-CB 3.42Å; Q329-M333 PolarHBondContact O-N 3.38Å
330	M	90.4	Very high	89.2	Confident	7 Å²	7	77.5 Å²	77.5	3%	0.034	39%	0.391	C	S	.	.	H	α-helix	trans	-66.2	-42.3	177.1	-71.1	-65.7	-64.4	0	0	111.2	T290 F294 F317 V326 D327 M333 Q334 V349 V351	T290-M330 HydrophobicContact CG2-SD 3.73Å; F294-M330 HydrophobicContact CE2-CE 4.01Å; F294-M330 HydrophobicContact CE2-SD 4.09Å; F294-M330 HydrophobicContact CZ-CE 4.03Å; F317-M330 HydrophobicContact CE2-CG 4.31Å; F317-M330 HydrophobicContact CE2-SD 4.14Å; F317-M330 HydrophobicContact CZ-CG 4.44Å; F317-M330 HydrophobicContact CZ-SD 4.09Å; V326-M330 HydrophobicContact CG1-CG 4.33Å; V326-M330 WeakPolarHBondContact O-CB 3.39Å; V326-M330 VanDerWaalsContact O-CG 3.3Å; V326-M330 WeakPolarHBondContact O-CG 3.46Å; V326-M330 PolarHBondContact O-N 2.89Å; D327-M330 PolarHBondContact O-N 3.23Å; M330-M333 PolarHBondContact O-N 3.14Å; M330-Q334 PolarHBondContact O-N 3.44Å; M330-V349 HydrophobicContact CE-CG1 3.38Å; M330-V351 HydrophobicContact CB-CG2 4.16Å; M330-V351 HydrophobicContact CE-CG2 4.26Å; M330-V351 HydrophobicContact CG-CG2 3.75Å
331	L	90.2	Very high	89.4	Confident	90 Å²	90	67.3 Å²	67.3	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-64	-44.3	175.2	-175.5	68.2	0	0	0	111.7	D327 M333 Q334 Q335	D327-L331 VanDerWaalsContact O-CB 3.31Å; D327-L331 WeakPolarHBondContact O-CB 3.49Å; D327-L331 PolarHBondContact O-N 2.84Å; L331-M333 VanDerWaalsContact C-N 3.28Å; L331-M333 PolarHBondContact O-N 3.02Å; L331-Q334 PolarHBondContact O-N 2.81Å; L331-Q335 WeakPolarHBondContact O-CG 3.33Å; L331-Q335 PolarHBondContact O-N 3.32Å
332	A	91.6	Very high	89.5	Confident	46 Å²	46	66.4 Å²	66.4	38%	0.38	35%	0.349	S	S	.	.	H	α-helix	trans	-60.9	-38.9	176.6	0	0	0	0	0	111.9	E328 Q329 K336	E328-A332 VanDerWaalsContact O-CB 3.28Å; E328-A332 WeakPolarHBondContact O-CB 3.33Å; E328-A332 PolarHBondContact O-N 3.12Å; Q329-A332 PolarHBondContact O-N 2.9Å; A332-K336 VanDerWaalsContact O-CB 3.3Å; A332-K336 WeakPolarHBondContact O-CB 3.47Å; A332-K336 PolarHBondContact O-N 3.36Å
333	M	88.9	Confident	89.3	Confident	32 Å²	32	68 Å²	68	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-42.4	176.7	-167.1	58.6	165.8	0	0	111.7	T290 F294 Q329 M330 L331 K336 N337	T290-M333 HydrophobicContact CG2-CB 4.17Å; T290-M333 HydrophobicContact CG2-CG 4.45Å; F294-M333 HydrophobicContact CB-CE 3.37Å; F294-M333 HydrophobicContact CD2-CE 3.91Å; F294-M333 HydrophobicContact CD2-CG 3.61Å; F294-M333 HydrophobicContact CE2-CB 4.42Å; F294-M333 HydrophobicContact CE2-CG 3.79Å; F294-M333 HydrophobicContact CG-CE 3.78Å; F294-M333 HydrophobicContact CG-CG 4.15Å; F294-M333 HydrophobicContact CZ-CG 4.45Å; Q329-M333 WeakPolarHBondContact O-CB 3.42Å; Q329-M333 PolarHBondContact O-N 3.38Å; M330-M333 PolarHBondContact O-N 3.14Å; L331-M333 VanDerWaalsContact C-N 3.28Å; L331-M333 PolarHBondContact O-N 3.02Å; M333-K336 PolarHBondContact O-N 3.29Å; M333-N337 VanDerWaalsContact CE-ND2 3.27Å; M333-N337 WeakPolarHBondContact CE-ND2 3.46Å; M333-N337 VanDerWaalsContact O-CB 3.31Å; M333-N337 WeakPolarHBondContact O-CB 3.03Å; M333-N337 PolarHBondContact O-N 3.41Å; M333-N337 VanDerWaalsContact O-N 3.07Å
334	Q	87.9	Confident	89.3	Confident	49 Å²	49	69.3 Å²	69.3	23%	0.229	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-45	175.8	-170.6	-177.9	15.4	0	0	111.7	M330 L331 N337 S338 F341 N348 V349	M330-Q334 PolarHBondContact O-N 3.44Å; L331-Q334 PolarHBondContact O-N 2.81Å; Q334-N337 CarbonylContact O-C 3.52Å; Q334-N337 PolarHBondContact O-N 2.66Å; Q334-S338 VanDerWaalsContact O-CA 3.28Å; Q334-S338 WeakPolarHBondContact O-CA 3.43Å; Q334-S338 PolarHBondContact O-N 3.23Å; Q334-F341 HydrophobicContact CB-CE2 4.45Å; Q334-F341 HydrophobicContact CG-CD2 4.15Å; Q334-F341 HydrophobicContact CG-CE2 4.25Å; Q334-F341 HydrophobicContact CG-CG 4.33Å; Q334-F341 HydrophobicContact CG-CZ 4.49Å; Q334-N348 PolarHBondContact NE2-OD1 3.41Å; Q334-N348 VanDerWaalsContact NE2-OD1 3.12Å; Q334-V349 HydrophobicContact CG-CG2 4.45Å
335	Q	88	Confident	89	Confident	133 Å²	133	64.4 Å²	64.4	62%	0.621	33%	0.332	S	S	*	.	H	α-helix	trans	-64.9	-40.8	178.5	-73	177.1	-2.4	0	0	112.4	L331 N337	L331-Q335 WeakPolarHBondContact O-CG 3.33Å; L331-Q335 PolarHBondContact O-N 3.32Å; Q335-N337 VanDerWaalsContact C-N 3.28Å; Q335-N337 PolarHBondContact O-N 3.24Å
336	K	89.6	Confident	88.5	Confident	170 Å²	170	65.6 Å²	65.6	74%	0.739	35%	0.347	S	S	*	.	H	α-helix	trans	-65.6	-33.8	178.1	-175.5	178.4	178.2	-179.8	0	112.4	A332 M333	A332-K336 VanDerWaalsContact O-CB 3.3Å; A332-K336 WeakPolarHBondContact O-CB 3.47Å; A332-K336 PolarHBondContact O-N 3.36Å; M333-K336 PolarHBondContact O-N 3.29Å
337	N	87.6	Confident	88.1	Confident	37 Å²	37	72.9 Å²	72.9	20%	0.198	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	26.4	-172.2	-71.1	-8.6	0	0	0	112.3	M333 Q334 Q335 A339 Y340 F341	M333-N337 VanDerWaalsContact CE-ND2 3.27Å; M333-N337 WeakPolarHBondContact CE-ND2 3.46Å; M333-N337 VanDerWaalsContact O-CB 3.31Å; M333-N337 WeakPolarHBondContact O-CB 3.03Å; M333-N337 PolarHBondContact O-N 3.41Å; M333-N337 VanDerWaalsContact O-N 3.07Å; Q334-N337 CarbonylContact O-C 3.52Å; Q334-N337 PolarHBondContact O-N 2.66Å; Q335-N337 VanDerWaalsContact C-N 3.28Å; Q335-N337 PolarHBondContact O-N 3.24Å; N337-A339 PolarHBondContact O-N 3.38Å; N337-Y340 HydrophobicContact CB-CD2 3.9Å; N337-Y340 WeakPolarHBondContact O-CB 3.22Å; N337-Y340 PolarHBondContact O-N 2.86Å; N337-F341 HydrophobicContact CB-CE2 4.13Å; N337-F341 WeakPolarHBondContact O-CD2 3.39Å
338	S	86.3	Confident	87.9	Confident	82 Å²	82	69 Å²	69	57%	0.573	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-54.3	-32.8	-171.1	57.4	0	0	0	0	113.6	Q334 Y340 F341	Q334-S338 VanDerWaalsContact O-CA 3.28Å; Q334-S338 WeakPolarHBondContact O-CA 3.43Å; Q334-S338 PolarHBondContact O-N 3.23Å; S338-Y340 PolarHBondContact O-N 3.42Å; S338-F341 PolarHBondContact O-N 3.44Å; S338-F341 VanDerWaalsContact O-N 3.12Å; S338-F341 VanDerWaalsContact O-O 3.13Å
339	A	87.3	Confident	87.8	Confident	73 Å²	73	65.3 Å²	65.3	60%	0.603	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-63.1	-21	176.4	0	0	0	0	0	114.8	N337	N337-A339 PolarHBondContact O-N 3.38Å
340	Y	89.8	Confident	87.5	Confident	90 Å²	90	65.7 Å²	65.7	35%	0.353	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-94.3	-0.9	178.2	-58.8	-60.8	0	0	0	112.9	R306 R309 Y310 N337 S338	R306-Y340 HydrophobicContact CB-CE1 4.05Å; R306-Y340 VanDerWaalsContact O-CE1 3.31Å; R306-Y340 WeakPolarHBondContact O-CE1 3.21Å; R309-Y340 CarbonylContact C-O 3.51Å; R309-Y340 VanDerWaalsContact CA-O 3.3Å; R309-Y340 WeakPolarHBondContact CA-O 3.36Å; Y310-Y340 PolarHBondContact N-O 3.46Å; N337-Y340 HydrophobicContact CB-CD2 3.9Å; N337-Y340 WeakPolarHBondContact O-CB 3.22Å; N337-Y340 PolarHBondContact O-N 2.86Å; S338-Y340 PolarHBondContact O-N 3.42Å
341	F	90.5	Very high	87.4	Confident	12 Å²	12	66.6 Å²	66.6	5%	0.053	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-109	144.2	172.9	-67.6	-92	0	0	0	108.6	F294 Y310 V313 Q334 N337 S338 V349	F294-F341 HydrophobicContact CE1-CE1 4.36Å; F294-F341 AromaticContact CE1-CZ 3.7Å; F294-F341 HydrophobicContact CE1-CZ 3.7Å; F294-F341 HydrophobicContact CZ-CZ 4.1Å; Y310-F341 HydrophobicContact CD2-CD1 4.39Å; Y310-F341 HydrophobicContact CD2-CE1 4.09Å; Y310-F341 HydrophobicContact CD2-CZ 4.2Å; Y310-F341 HydrophobicContact CG-CD1 4.45Å; Y310-F341 HydrophobicContact CG-CE1 4.26Å; V313-F341 HydrophobicContact CG2-CE1 3.91Å; Q334-F341 HydrophobicContact CB-CE2 4.45Å; Q334-F341 HydrophobicContact CG-CD2 4.15Å; Q334-F341 HydrophobicContact CG-CE2 4.25Å; Q334-F341 HydrophobicContact CG-CG 4.33Å; Q334-F341 HydrophobicContact CG-CZ 4.49Å; N337-F341 HydrophobicContact CB-CE2 4.13Å; N337-F341 WeakPolarHBondContact O-CD2 3.39Å; S338-F341 PolarHBondContact O-N 3.44Å; S338-F341 VanDerWaalsContact O-N 3.12Å; S338-F341 VanDerWaalsContact O-O 3.13Å; F341-V349 HydrophobicContact CD1-CG2 4.23Å; F341-V349 HydrophobicContact CE1-CG2 3.73Å; F341-V349 HydrophobicContact CZ-CG2 4.45Å
342	V	89.6	Confident	87.3	Confident	6 Å²	6	63 Å²	63	4%	0.036	33%	0.333	C	S	.	.			trans	-66	141.1	170.5	-63.1	0	0	0	0	110.5	R309 Y310 L311 W344 I345	R309-V342 HydrophobicContact CB-CG1 4Å; Y310-V342 WeakPolarHBondContact O-CG2 3.47Å; Y310-V342 PolarHBondContact O-N 2.96Å; Y310-V342 VanDerWaalsContact O-N 3.08Å; L311-V342 HydrophobicContact CD2-CG1 3.78Å; V342-W344 HydrophobicContact CB-CZ2 4.29Å; V342-W344 HydrophobicContact CG1-CZ2 4.18Å; V342-W344 HydrophobicContact CG2-CZ2 4.24Å; V342-I345 HydrophobicContact CG2-CB 3.84Å; V342-I345 HydrophobicContact CG2-CD1 3.91Å; V342-I345 HydrophobicContact CG2-CG1 3.74Å
343	D	85.4	Confident	87.1	Confident	95 Å²	95	61.5 Å²	61.5	51%	0.508	32%	0.319	S	S	.	.	S	Bend	trans	-84.9	-31.4	-178.5	54.2	-7.5	0	0	0	112.5	A430	D343-A430 WeakPolarHBondContact OD2-CB 3.44Å; D343-A430 PolarHBondContact OD2-N 3.47Å
344	W	85.4	Confident	87	Confident	76 Å²	76	60.3 Å²	60.3	29%	0.288	31%	0.314	S	S	.	.	S	Bend	trans	-78.3	-14	-177	56.4	-95.3	0	0	0	114.8	F260 L311 V342 P346 Y425 A430	F260-W344 AromaticContact CE2-CH2 3.52Å; F260-W344 HydrophobicContact CE2-CH2 3.52Å; F260-W344 HydrophobicContact CE2-CZ2 4.37Å; F260-W344 HydrophobicContact CE2-CZ3 4.14Å; F260-W344 AromaticContact CZ-CH2 3.91Å; F260-W344 HydrophobicContact CZ-CH2 3.91Å; F260-W344 HydrophobicContact CZ-CZ3 4.09Å; L311-W344 HydrophobicContact CD2-CH2 4.27Å; L311-W344 HydrophobicContact CD2-CZ2 3.84Å; V342-W344 HydrophobicContact CB-CZ2 4.29Å; V342-W344 HydrophobicContact CG1-CZ2 4.18Å; V342-W344 HydrophobicContact CG2-CZ2 4.24Å; W344-P346 VanDerWaalsContact O-CD 3.24Å; W344-P346 WeakPolarHBondContact O-CD 3.24Å; W344-Y425 HydrophobicContact CZ2-CD1 4.25Å; W344-A430 HydrophobicContact CB-CB 4.42Å
345	I	85.2	Confident	86.8	Confident	31 Å²	31	62.9 Å²	62.9	16%	0.159	33%	0.33	C	S	.	.	S	Bend	trans	-98.7	101	168.2	-54.3	-178.4	0	0	0	109.4	P259 L311 T312 V342 N348	P259-I345 HydrophobicContact CB-CD1 3.97Å; P259-I345 HydrophobicContact CG-CD1 4.18Å; L311-I345 HydrophobicContact CB-CD1 4.4Å; T312-I345 HydrophobicContact CG2-CD1 4.4Å; V342-I345 HydrophobicContact CG2-CB 3.84Å; V342-I345 HydrophobicContact CG2-CD1 3.91Å; V342-I345 HydrophobicContact CG2-CG1 3.74Å; I345-N348 HydrophobicContact CB-CB 4.14Å; I345-N348 HydrophobicContact CG2-CB 3.77Å
346	P	80.8	Confident	86.7	Confident	101 Å²	101	57.8 Å²	57.8	66%	0.656	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	144.1	173.7	29	-34.3	0	0	0	110.6	W344 N348	W344-P346 VanDerWaalsContact O-CD 3.24Å; W344-P346 WeakPolarHBondContact O-CD 3.24Å; P346-N348 VanDerWaalsContact C-N 3.32Å; P346-N348 PolarHBondContact O-N 3.47Å
347	H	81.6	Confident	86.5	Confident	153 Å²	153	52.1 Å²	52.1	71%	0.708	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	42.8	175.4	-55.8	-67.9	0	0	0	114.9	V349 K350	H347-V349 PolarHBondContact O-N 2.88Å; H347-K350 PolarHBondContact O-NZ 2.75Å
348	N	86.1	Confident	86.4	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.032	28%	0.278	C	S	.	.			trans	-72.8	-5.9	-179.3	63	-12.7	0	0	0	115.8	L311 T312 V313 Q334 I345 P346	L311-N348 WeakPolarHBondContact O-CB 3.36Å; L311-N348 PolarHBondContact O-ND2 3.46Å; T312-N348 WeakPolarHBondContact CA-O 3.36Å; V313-N348 PolarHBondContact N-O 3.31Å; Q334-N348 PolarHBondContact NE2-OD1 3.41Å; Q334-N348 VanDerWaalsContact NE2-OD1 3.12Å; I345-N348 HydrophobicContact CB-CB 4.14Å; I345-N348 HydrophobicContact CG2-CB 3.77Å; P346-N348 VanDerWaalsContact C-N 3.32Å; P346-N348 PolarHBondContact O-N 3.47Å
349	V	88.4	Confident	86.1	Confident	24 Å²	24	54.5 Å²	54.5	15%	0.145	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.5	175.9	-176.7	0	0	0	0	109.6	V313 M330 Q334 F341 H347	V313-V349 HydrophobicContact CB-CG2 4.33Å; V313-V349 HydrophobicContact CG1-CG1 4.46Å; V313-V349 CarbonylContact O-C 3.57Å; V313-V349 WeakPolarHBondContact O-CA 3.29Å; M330-V349 HydrophobicContact CE-CG1 3.38Å; Q334-V349 HydrophobicContact CG-CG2 4.45Å; F341-V349 HydrophobicContact CD1-CG2 4.23Å; F341-V349 HydrophobicContact CE1-CG2 3.73Å; F341-V349 HydrophobicContact CZ-CG2 4.45Å; H347-V349 PolarHBondContact O-N 2.88Å
350	K	87.9	Confident	85.8	Confident	67 Å²	67	54.1 Å²	54.1	29%	0.291	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	141.4	172.8	-59.5	-52.9	-174.7	-148.6	0	110.4	N256 V313 A314 G315 H347	N256-K350 HydrophobicContact CB-CG 4.3Å; N256-K350 WeakPolarHBondContact OD1-CE 3.12Å; V313-K350 PolarHBondContact O-N 3.09Å; A314-K350 CarbonylContact C-O 3.57Å; A314-K350 VanDerWaalsContact CA-O 3.3Å; A314-K350 WeakPolarHBondContact CA-O 3.48Å; G315-K350 PolarHBondContact N-O 3.48Å; H347-K350 PolarHBondContact O-NZ 2.75Å
351	V	88.1	Confident	85.5	Confident	26 Å²	26	51.1 Å²	51.1	16%	0.158	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136	179.1	-180	0	0	0	0	108.6	G315 F317 V326 M330 V353	G315-V351 CarbonylContact O-C 3.54Å; G315-V351 WeakPolarHBondContact O-CA 3.39Å; F317-V351 HydrophobicContact CD2-CG1 3.94Å; F317-V351 HydrophobicContact CE2-CG1 4.16Å; V326-V351 HydrophobicContact CG1-CG1 3.47Å; V326-V351 VanDerWaalsContact CG1-CG1 3.47Å; M330-V351 HydrophobicContact CB-CG2 4.16Å; M330-V351 HydrophobicContact CE-CG2 4.26Å; M330-V351 HydrophobicContact CG-CG2 3.75Å; V351-V353 HydrophobicContact CG1-CG2 4.32Å
352	A	86.9	Confident	85.3	Confident	13 Å²	13	59.2 Å²	59.2	11%	0.107	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.2	169.5	0	0	0	0	0	108.8	L246 G315 V316 F317	L246-A352 HydrophobicContact CB-CB 3.99Å; L246-A352 HydrophobicContact CD2-CB 4.18Å; G315-A352 PolarHBondContact O-N 3.17Å; V316-A352 CarbonylContact C-O 3.55Å; V316-A352 WeakPolarHBondContact CA-O 3.29Å; V316-A352 HydrophobicContact CG2-CB 4.44Å; F317-A352 PolarHBondContact N-O 3.4Å
353	V	87.6	Confident	85.3	Confident	15 Å²	15	60.3 Å²	60.3	9%	0.091	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.1	175.1	-175.2	0	0	0	0	108.6	F317 M321 T323 V326 V351	F317-V353 HydrophobicContact CB-CG2 4.33Å; F317-V353 CarbonylContact O-C 3.54Å; F317-V353 WeakPolarHBondContact O-CA 3.38Å; M321-V353 HydrophobicContact CG-CG1 3.9Å; T323-V353 HydrophobicContact CG2-CB 4.14Å; T323-V353 HydrophobicContact CG2-CG1 4.36Å; T323-V353 HydrophobicContact CG2-CG2 4.03Å; V326-V353 HydrophobicContact CG2-CG2 4.35Å; V351-V353 HydrophobicContact CG1-CG2 4.32Å
354	C	86.8	Confident	85.6	Confident	7 Å²	7	55.8 Å²	55.8	5%	0.047	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.5	174.7	178.6	0	0	0	0	109.4	T238 F317 R318 G319 I356	T238-C354 HydrophobicContact CG2-CB 3.68Å; F317-C354 PolarHBondContact O-N 2.95Å; R318-C354 CarbonylContact C-O 3.58Å; R318-C354 VanDerWaalsContact CA-O 3.3Å; R318-C354 WeakPolarHBondContact CA-O 3.2Å; R318-C354 HydrophobicContact CG-CB 4.5Å; G319-C354 PolarHBondContact N-O 3.39Å; C354-I356 PolarHBondContact O-N 3.32Å
355	D	84.3	Confident	85.9	Confident	104 Å²	104	52.2 Å²	52.2	56%	0.556	28%	0.276	S	S	*	.	S	Bend	trans	-72.2	-18.9	-176.2	-69.7	-31.9	0	0	0	113.3	P357	D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.16Å
356	I	84.6	Confident	86.2	Confident	26 Å²	26	50.7 Å²	50.7	13%	0.133	27%	0.269	C	S	.	.			trans	-87.8	109.4	-178.2	-63.3	172.4	0	0	0	110	I42 F242 R318 C354	I42-I356 HydrophobicContact CB-CD1 3.9Å; I42-I356 HydrophobicContact CG2-CD1 3.43Å; I42-I356 VanDerWaalsContact CG2-CD1 3.43Å; I42-I356 HydrophobicContact CG2-CG1 4.45Å; F242-I356 HydrophobicContact CD1-CD1 3.31Å; F242-I356 HydrophobicContact CE1-CD1 3.52Å; F242-I356 HydrophobicContact CE1-CG2 4.36Å; F242-I356 HydrophobicContact CE2-CG2 4.27Å; F242-I356 HydrophobicContact CG-CD1 3.91Å; F242-I356 HydrophobicContact CZ-CD1 4.27Å; F242-I356 HydrophobicContact CZ-CG2 4.08Å; R318-I356 PolarHBondContact NE-O 3.28Å; R318-I356 VanDerWaalsContact NE-O 3.16Å; R318-I356 PolarHBondContact NH2-O 3.03Å; C354-I356 PolarHBondContact O-N 3.32Å
357	P	86.9	Confident	86.8	Confident	50 Å²	50	45.9 Å²	45.9	33%	0.325	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-74	156.5	175.7	34.1	-35.5	0	0	0	111.1	D355 L361 K362	D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.16Å; P357-L361 WeakPolarHBondContact CB-O 3.5Å; P357-K362 WeakPolarHBondContact CB-O 3.42Å
358	P	85.7	Confident	87.4	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.019	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-67.5	155.5	170.3	27.2	-30.2	0	0	0	111.1	G360 L361 A364	P358-G360 PolarHBondContact O-N 2.98Å; P358-L361 HydrophobicContact CG-CB 4.16Å; P358-L361 HydrophobicContact CG-CD1 4.09Å; P358-L361 PolarHBondContact O-N 2.9Å; P358-L361 VanDerWaalsContact O-O 3.12Å; P358-A364 HydrophobicContact CG-CB 3.51Å
359	R	79.8	Confident	87.7	Confident	167 Å²	167	38.4 Å²	38.4	63%	0.63	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	132.6	-176	-163.5	176	-169.8	-167.7	8.4	111.4	E26 L361	E26-R359 IonicContact OE1-NH1 2.92Å; E26-R359 PolarHBondContact OE1-NH1 3.41Å; E26-R359 WeakPolarHBondContact OE2-CD 3.49Å; E26-R359 IonicContact OE2-CZ 3.57Å; E26-R359 IonicContact OE2-NE 3.98Å; E26-R359 IonicContact OE2-NH1 3.27Å; E26-R359 PolarHBondContact OE2-NH1 3.29Å; R359-L361 VanDerWaalsContact C-N 3.3Å; R359-L361 PolarHBondContact O-N 3.42Å
360	G	79.8	Confident	88	Confident	64 Å²	64	37.2 Å²	37.2	66%	0.66	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-1.4	179.3	0	0	0	0	0	115	Q279 P358	Q279-G360 PolarHBondContact NE2-O 3Å; Q279-G360 VanDerWaalsContact NE2-O 3.13Å; P358-G360 PolarHBondContact O-N 2.98Å
361	L	84.3	Confident	88.3	Confident	28 Å²	28	34 Å²	34	15%	0.147	18%	0.182	C	C	.	.			trans	-124.8	148.7	175.4	-65.6	168.8	0	0	0	110.3	F270 P272 P357 P358 R359 A364	F270-L361 HydrophobicContact CE1-CD1 4.25Å; F270-L361 HydrophobicContact CZ-CD1 3.99Å; P272-L361 HydrophobicContact CG-CD2 4.1Å; P357-L361 WeakPolarHBondContact CB-O 3.5Å; P358-L361 HydrophobicContact CG-CB 4.16Å; P358-L361 HydrophobicContact CG-CD1 4.09Å; P358-L361 PolarHBondContact O-N 2.9Å; P358-L361 VanDerWaalsContact O-O 3.12Å; R359-L361 VanDerWaalsContact C-N 3.3Å; R359-L361 PolarHBondContact O-N 3.42Å; L361-A364 HydrophobicContact CD1-CB 4.32Å
362	K	86.3	Confident	88.5	Confident	181 Å²	181	32.8 Å²	32.8	79%	0.787	17%	0.174	S	C	*	.	S	Bend	trans	-86.4	-33.8	173.4	-69.3	-175	178.9	179.7	0	112.2	P357	P357-K362 WeakPolarHBondContact CB-O 3.42Å
363	M	89.5	Confident	88.9	Confident	30 Å²	30	32.3 Å²	32.3	15%	0.148	17%	0.17	C	C	.	.			trans	-144.1	144.5	177.7	-62	-174.9	-64.3	0	0	109.1	L284 L289 R318 M321	L284-M363 VanDerWaalsContact C-CE 3.45Å; L284-M363 HydrophobicContact CB-CE 3.98Å; L284-M363 WeakPolarHBondContact O-CE 3.33Å; L289-M363 HydrophobicContact CD1-CB 3.87Å; R318-M363 CarbonylContact O-C 3.53Å; R318-M363 VanDerWaalsContact O-CA 3.23Å; R318-M363 WeakPolarHBondContact O-CA 3.41Å; M321-M363 HydrophobicContact CB-SD 4.46Å; M321-M363 HydrophobicContact CE-CB 4.33Å; M321-M363 HydrophobicContact CE-CG 4.27Å; M321-M363 HydrophobicContact CE-SD 4.39Å
364	A	91.4	Very high	89.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	163.6	172.9	0	0	0	0	0	109.7	F270 A271 R318 P358 L361	F270-A364 HydrophobicContact CE2-CB 4.19Å; F270-A364 HydrophobicContact CZ-CB 3.91Å; A271-A364 CarbonylContact O-C 3.59Å; A271-A364 WeakPolarHBondContact O-CA 3.49Å; R318-A364 PolarHBondContact N-O 3.37Å; R318-A364 PolarHBondContact O-N 3.11Å; P358-A364 HydrophobicContact CG-CB 3.51Å; L361-A364 HydrophobicContact CD1-CB 4.32Å
365	S	91.6	Very high	89.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	130.5	175.9	60	0	0	0	0	109.5	A271 M293 V316	A271-S365 PolarHBondContact N-O 2.93Å; A271-S365 PolarHBondContact O-N 3.26Å; A271-S365 VanDerWaalsContact O-O 3.09Å; M293-S365 VanDerWaalsContact CG-OG 3.27Å; M293-S365 WeakPolarHBondContact CG-OG 3.07Å; M293-S365 WeakPolarHBondContact SD-CB 3.27Å; M293-S365 PolarHBondContact SD-OG 3.44Å; V316-S365 CarbonylContact O-C 3.52Å; V316-S365 VanDerWaalsContact O-CA 3.31Å; V316-S365 WeakPolarHBondContact O-CA 3.26Å
366	T	92.9	Very high	89.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.1	175.3	-55.3	0	0	0	0	108.6	G235 V236 G315 V316	G235-T366 WeakPolarHBondContact CA-OG1 3.45Å; V236-T366 HydrophobicContact CG2-CG2 4.05Å; G315-T366 WeakPolarHBondContact CA-O 3.39Å; V316-T366 PolarHBondContact N-O 3.47Å; V316-T366 PolarHBondContact O-N 2.81Å
367	F	92.9	Very high	90	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.3	-179.8	177.8	-97.1	0	0	0	108.9	P268 G269 M293 F294 M299 Y310 V313	P268-F367 CarbonylContact C-O 3.57Å; P268-F367 VanDerWaalsContact CA-O 3.31Å; P268-F367 WeakPolarHBondContact CA-O 3.49Å; G269-F367 PolarHBondContact N-O 3.31Å; G269-F367 PolarHBondContact O-N 2.94Å; M293-F367 HydrophobicContact CB-CB 4.25Å; M293-F367 HydrophobicContact CB-CD2 4.24Å; M293-F367 HydrophobicContact CE-CB 3.97Å; M293-F367 HydrophobicContact CE-CD2 3.91Å; M293-F367 HydrophobicContact CE-CG 4.47Å; M293-F367 HydrophobicContact CG-CB 4.34Å; F294-F367 HydrophobicContact CD1-CE2 4.13Å; F294-F367 AromaticContact CE1-CE2 3.77Å; F294-F367 HydrophobicContact CE1-CE2 3.77Å; F294-F367 HydrophobicContact CE1-CZ 4.36Å; F294-F367 HydrophobicContact CZ-CE2 4.08Å; M299-F367 HydrophobicContact CE-CD1 3.71Å; M299-F367 HydrophobicContact CE-CE1 3.55Å; M299-F367 HydrophobicContact CE-CG 4.44Å; M299-F367 HydrophobicContact CE-CZ 4.16Å; M299-F367 HydrophobicContact SD-CD1 3.77Å; M299-F367 HydrophobicContact SD-CE1 3.79Å; Y310-F367 HydrophobicContact CD1-CZ 4.28Å; Y310-F367 HydrophobicContact CE1-CE1 4.05Å; Y310-F367 AromaticContact CE1-CZ 3.48Å; Y310-F367 HydrophobicContact CE1-CZ 3.48Å; Y310-F367 VanDerWaalsContact CE1-CZ 3.48Å; Y310-F367 AromaticContact CZ-CZ 3.81Å; V313-F367 HydrophobicContact CB-CE2 4.45Å; V313-F367 HydrophobicContact CG1-CD2 4.04Å; V313-F367 HydrophobicContact CG1-CE2 3.38Å; V313-F367 HydrophobicContact CG1-CZ 4.1Å; V313-F367 HydrophobicContact CG2-CE2 4.25Å; V313-F367 HydrophobicContact CG2-CZ 4.23Å
368	I	93.1	Very high	90.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	111.5	170.3	-51.5	168.4	0	0	0	105.7	F200 V236 M257 F266 V313 A314	F200-I368 HydrophobicContact CD1-CG2 4.4Å; F200-I368 HydrophobicContact CE1-CD1 4.1Å; F200-I368 HydrophobicContact CE1-CG1 4.26Å; F200-I368 HydrophobicContact CE1-CG2 3.75Å; V236-I368 HydrophobicContact CB-CD1 4.35Å; V236-I368 HydrophobicContact CG1-CD1 4.06Å; V236-I368 HydrophobicContact CG2-CD1 3.89Å; V236-I368 HydrophobicContact CG2-CG1 4Å; M257-I368 HydrophobicContact CE-CB 4.29Å; M257-I368 HydrophobicContact CE-CG2 3.89Å; M257-I368 WeakPolarHBondContact CE-O 3.4Å; F266-I368 HydrophobicContact CB-CG2 3.81Å; F266-I368 HydrophobicContact CD1-CG2 4.44Å; F266-I368 HydrophobicContact CD2-CG2 3.97Å; F266-I368 HydrophobicContact CG-CG2 3.83Å; V313-I368 CarbonylContact C-O 3.53Å; V313-I368 WeakPolarHBondContact CA-O 3.3Å; A314-I368 HydrophobicContact CB-CB 4.27Å; A314-I368 PolarHBondContact N-O 3.21Å; A314-I368 PolarHBondContact O-N 3.39Å
369	G	92.9	Very high	90.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.9	178.6	0	0	0	0	0	111.3	M267	M267-G369 PolarHBondContact N-O 2.86Å; M267-G369 PolarHBondContact O-N 3.08Å
370	N	94.4	Very high	91	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	102	160.1	-166.2	-15.2	0	0	0	107.4	M257 L263 F266 L311 T312	M257-N370 PolarHBondContact O-ND2 3.12Å; L263-N370 PolarHBondContact O-ND2 3.31Å; F266-N370 HydrophobicContact CD1-CB 3.91Å; F266-N370 HydrophobicContact CE1-CB 4.01Å; L311-N370 HydrophobicContact CB-CB 4.35Å; L311-N370 PolarHBondContact N-O 3.32Å; T312-N370 PolarHBondContact N-O 2.85Å; T312-N370 PolarHBondContact O-N 3.04Å; T312-N370 WeakPolarHBondContact OG1-CB 3.48Å
371	N	93.9	Very high	91.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.5	-174.6	-170.5	-47.1	0	0	0	109.9	M267 P305 R309 Y310 A373 I374	M267-N371 HydrophobicContact SD-CB 3.92Å; P305-N371 PolarHBondContact O-ND2 2.96Å; R309-N371 PolarHBondContact N-OD1 3.22Å; R309-N371 WeakPolarHBondContact O-CA 3.42Å; R309-N371 PolarHBondContact O-OD1 2.51Å; Y310-N371 HydrophobicContact CD1-CB 3.62Å; Y310-N371 VanDerWaalsContact CD1-ND2 3.29Å; Y310-N371 WeakPolarHBondContact CD1-ND2 3.29Å; Y310-N371 HydrophobicContact CE1-CB 3.74Å; Y310-N371 WeakPolarHBondContact CE1-ND2 3.3Å; Y310-N371 HydrophobicContact CG-CB 4.44Å; N371-A373 PolarHBondContact O-N 3.42Å; N371-A373 VanDerWaalsContact O-N 3.1Å; N371-A373 WeakPolarHBondContact OD1-CB 3.25Å; N371-A373 PolarHBondContact OD1-N 2.99Å; N371-I374 WeakPolarHBondContact O-CB 3.38Å; N371-I374 VanDerWaalsContact O-CG2 3.31Å; N371-I374 WeakPolarHBondContact O-CG2 3.3Å; N371-I374 PolarHBondContact O-N 3.33Å; N371-I374 VanDerWaalsContact O-N 3.09Å
372	T	94	Very high	91.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-60.8	-20.2	178.3	64.9	0	0	0	0	113.4	G308 R309 L311 I374 Q375 Y422 Q426	G308-T372 VanDerWaalsContact CA-OG1 3.24Å; G308-T372 WeakPolarHBondContact CA-OG1 3.43Å; R309-T372 PolarHBondContact N-OG1 2.97Å; R309-T372 PolarHBondContact O-N 3.14Å; L311-T372 HydrophobicContact CD2-CG2 4.24Å; L311-T372 HydrophobicContact CG-CG2 4.36Å; T372-I374 PolarHBondContact O-N 3.04Å; T372-I374 VanDerWaalsContact O-N 3.16Å; T372-Q375 WeakPolarHBondContact O-CB 3.33Å; T372-Q375 WeakPolarHBondContact O-CG 3.45Å; T372-Q375 PolarHBondContact O-N 3.41Å; T372-Y422 HydrophobicContact CG2-CD1 4.33Å; T372-Q426 HydrophobicContact CG2-CB 4.01Å; T372-Q426 PolarHBondContact OG1-OE1 3.05Å
373	A	93.6	Very high	92.1	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.017	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-61.7	-16.9	174.2	0	0	0	0	0	113.8	C303 D304 N371 Q375 E376	C303-A373 HydrophobicContact CB-CB 4.22Å; C303-A373 WeakPolarHBondContact CB-O 3.45Å; C303-A373 PolarHBondContact SG-O 3.28Å; D304-A373 WeakPolarHBondContact O-CB 3.36Å; N371-A373 PolarHBondContact O-N 3.42Å; N371-A373 VanDerWaalsContact O-N 3.1Å; N371-A373 WeakPolarHBondContact OD1-CB 3.25Å; N371-A373 PolarHBondContact OD1-N 2.99Å; A373-Q375 PolarHBondContact O-N 3.22Å; A373-Q375 VanDerWaalsContact O-N 3.08Å; A373-E376 PolarHBondContact O-N 2.86Å
374	I	93.1	Very high	92.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-56.9	-23.9	173.9	-162.9	75.7	0	0	0	112.1	C201 F265 M267 A301 N371 T372 E376 I377 F378 Y422	C201-I374 HydrophobicContact CB-CD1 3.91Å; F265-I374 HydrophobicContact CB-CG1 4.33Å; M267-I374 HydrophobicContact CG-CB 4.31Å; M267-I374 HydrophobicContact CG-CD1 3.46Å; M267-I374 VanDerWaalsContact CG-CD1 3.46Å; M267-I374 HydrophobicContact CG-CG1 4.41Å; M267-I374 HydrophobicContact SD-CB 4.41Å; M267-I374 HydrophobicContact SD-CD1 4.34Å; A301-I374 HydrophobicContact CB-CD1 4.29Å; N371-I374 WeakPolarHBondContact O-CB 3.38Å; N371-I374 VanDerWaalsContact O-CG2 3.31Å; N371-I374 WeakPolarHBondContact O-CG2 3.3Å; N371-I374 PolarHBondContact O-N 3.33Å; N371-I374 VanDerWaalsContact O-N 3.09Å; T372-I374 PolarHBondContact O-N 3.04Å; T372-I374 VanDerWaalsContact O-N 3.16Å; I374-E376 PolarHBondContact O-N 3.1Å; I374-I377 HydrophobicContact CD1-CD1 3.89Å; I374-I377 PolarHBondContact O-N 2.98Å; I374-F378 HydrophobicContact CG1-CD2 4.5Å; I374-F378 HydrophobicContact CG1-CE2 3.86Å; I374-F378 HydrophobicContact CG1-CZ 4.45Å; I374-F378 HydrophobicContact CG2-CD2 4.48Å; I374-F378 HydrophobicContact CG2-CE2 4.06Å; I374-Y422 HydrophobicContact CG2-CD1 4.13Å; I374-Y422 HydrophobicContact CG2-CD2 4.06Å; I374-Y422 HydrophobicContact CG2-CE1 3.66Å; I374-Y422 HydrophobicContact CG2-CE2 3.58Å; I374-Y422 HydrophobicContact CG2-CG 4.31Å
375	Q	91.8	Very high	92.2	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.028	9%	0.086	C	C	.	.	H	α-helix	trans	-54	-25.9	173.7	74.5	172.9	-63.9	0	0	113.8	T372 A373 I377 F378 R379 V419 Q426	T372-Q375 WeakPolarHBondContact O-CB 3.33Å; T372-Q375 WeakPolarHBondContact O-CG 3.45Å; T372-Q375 PolarHBondContact O-N 3.41Å; A373-Q375 PolarHBondContact O-N 3.22Å; A373-Q375 VanDerWaalsContact O-N 3.08Å; Q375-I377 VanDerWaalsContact C-N 3.33Å; Q375-I377 PolarHBondContact O-N 3.42Å; Q375-F378 PolarHBondContact O-N 2.78Å; Q375-R379 VanDerWaalsContact O-CB 3.3Å; Q375-R379 WeakPolarHBondContact O-CB 3.36Å; Q375-R379 PolarHBondContact O-N 3.2Å; Q375-V419 HydrophobicContact CB-CG1 4.4Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.07Å
376	E	91.1	Very high	92.3	Very high	44 Å²	44	20.3 Å²	20.3	21%	0.206	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-37.8	177.3	-66.1	-168.7	143.3	0	0	112.1	C303 D304 R307 A373 I374 R380	C303-E376 WeakPolarHBondContact CA-OE2 3.48Å; C303-E376 HydrophobicContact CB-CB 4.34Å; D304-E376 PolarHBondContact N-OE2 3.44Å; R307-E376 WeakPolarHBondContact CD-OE1 2.95Å; R307-E376 IonicContact CZ-OE1 2.76Å; R307-E376 IonicContact NE-OE1 3.24Å; R307-E376 IonicContact NH1-OE1 3.72Å; R307-E376 PolarHBondContact NH1-OE1 3.43Å; A373-E376 PolarHBondContact O-N 2.86Å; I374-E376 PolarHBondContact O-N 3.1Å; E376-R380 WeakPolarHBondContact O-CB 3.34Å; E376-R380 PolarHBondContact O-N 2.86Å
377	I	90.8	Very high	92.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.5	-47.2	176	-75.7	164.6	0	0	0	110.1	M170 D203 A301 C303 I374 Q375 R379 R380 V381	M170-I377 HydrophobicContact CG-CG2 4.11Å; M170-I377 HydrophobicContact SD-CG2 4.12Å; D203-I377 HydrophobicContact CB-CD1 4.48Å; A301-I377 HydrophobicContact CB-CD1 3.71Å; C303-I377 WeakPolarHBondContact SG-CD1 3.29Å; C303-I377 WeakPolarHBondContact SG-CG1 3.48Å; I374-I377 HydrophobicContact CD1-CD1 3.89Å; I374-I377 PolarHBondContact O-N 2.98Å; Q375-I377 VanDerWaalsContact C-N 3.33Å; Q375-I377 PolarHBondContact O-N 3.42Å; I377-R379 PolarHBondContact O-N 2.86Å; I377-R380 PolarHBondContact O-N 3.28Å; I377-V381 WeakPolarHBondContact O-CG2 3.3Å; I377-V381 PolarHBondContact O-N 2.83Å
378	F	92.1	Very high	92.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-64.4	-40.8	-180	-63.9	-55.3	0	0	0	111.8	M170 V189 F265 I374 Q375 R380 V381 G382 L415 L418 V419 Y422	M170-F378 HydrophobicContact CE-CE1 4.11Å; V189-F378 HydrophobicContact CG1-CD1 4.17Å; V189-F378 HydrophobicContact CG1-CE1 3.82Å; V189-F378 HydrophobicContact CG2-CD1 4.44Å; V189-F378 HydrophobicContact CG2-CE1 4.01Å; F265-F378 HydrophobicContact CB-CE2 4.27Å; F265-F378 HydrophobicContact CB-CZ 4.1Å; F265-F378 HydrophobicContact CD1-CE1 4.5Å; F265-F378 AromaticContact CD1-CZ 3.71Å; F265-F378 HydrophobicContact CD1-CZ 3.71Å; F265-F378 HydrophobicContact CD2-CE2 4.14Å; F265-F378 AromaticContact CD2-CZ 3.85Å; F265-F378 HydrophobicContact CD2-CZ 3.85Å; F265-F378 HydrophobicContact CE1-CE1 4.49Å; F265-F378 HydrophobicContact CE1-CZ 4.04Å; F265-F378 HydrophobicContact CE2-CZ 4.18Å; F265-F378 HydrophobicContact CG-CE2 4.1Å; F265-F378 AromaticContact CG-CZ 3.6Å; F265-F378 HydrophobicContact CG-CZ 3.6Å; F265-F378 HydrophobicContact CZ-CZ 4.27Å; I374-F378 HydrophobicContact CG1-CD2 4.5Å; I374-F378 HydrophobicContact CG1-CE2 3.86Å; I374-F378 HydrophobicContact CG1-CZ 4.45Å; I374-F378 HydrophobicContact CG2-CD2 4.48Å; I374-F378 HydrophobicContact CG2-CE2 4.06Å; Q375-F378 PolarHBondContact O-N 2.78Å; F378-R380 PolarHBondContact O-N 3.25Å; F378-V381 PolarHBondContact O-N 2.98Å; F378-G382 PolarHBondContact O-N 2.67Å; F378-L415 HydrophobicContact CB-CD1 3.9Å; F378-L415 HydrophobicContact CD1-CD1 3.73Å; F378-L415 HydrophobicContact CG-CD1 4.11Å; F378-L418 HydrophobicContact CD1-CD2 4.44Å; F378-L418 HydrophobicContact CD2-CD2 4.07Å; F378-L418 HydrophobicContact CE1-CD2 4.29Å; F378-L418 HydrophobicContact CE2-CD2 3.9Å; F378-L418 HydrophobicContact CG-CD2 4.34Å; F378-L418 HydrophobicContact CZ-CD2 4.02Å; F378-V419 HydrophobicContact CB-CG2 3.67Å; F378-Y422 HydrophobicContact CD2-CE2 4.45Å; F378-Y422 HydrophobicContact CE2-CE2 4.09Å
379	R	91.9	Very high	92	Very high	105 Å²	105	28.2 Å²	28.2	40%	0.396	13%	0.133	S	C	.	.	H	α-helix	trans	-61.9	-43	173.5	-172.1	178.2	-66.2	133.7	4.5	111.8	Q375 I377 G382 E383	Q375-R379 VanDerWaalsContact O-CB 3.3Å; Q375-R379 WeakPolarHBondContact O-CB 3.36Å; Q375-R379 PolarHBondContact O-N 3.2Å; I377-R379 PolarHBondContact O-N 2.86Å; R379-G382 PolarHBondContact O-N 2.7Å; R379-E383 HydrophobicContact CG-CG 4.39Å; R379-E383 WeakPolarHBondContact O-CB 3.25Å; R379-E383 WeakPolarHBondContact O-CG 3.45Å; R379-E383 PolarHBondContact O-N 3.14Å
380	R	90.5	Very high	92	Very high	47 Å²	47	38 Å²	38	18%	0.177	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-45.4	177.2	-176.3	-175.1	65.3	-156.1	-12.4	111.9	D203 E205 E376 I377 F378 Q384	D203-R380 IonicContact OD1-NH2 2.96Å; D203-R380 IonicContact OD2-CZ 2.7Å; D203-R380 VanDerWaalsContact OD2-CZ 3.3Å; D203-R380 IonicContact OD2-NH1 3.3Å; D203-R380 PolarHBondContact OD2-NH1 3.12Å; D203-R380 IonicContact OD2-NH2 3.39Å; D203-R380 PolarHBondContact OD2-NH2 2.98Å; E205-R380 IonicContact OE2-CZ 2.66Å; E205-R380 IonicContact OE2-NH1 3.65Å; E205-R380 PolarHBondContact OE2-NH1 3.46Å; E376-R380 WeakPolarHBondContact O-CB 3.34Å; E376-R380 PolarHBondContact O-N 2.86Å; I377-R380 PolarHBondContact O-N 3.28Å; F378-R380 PolarHBondContact O-N 3.25Å; R380-Q384 WeakPolarHBondContact O-CG 3.49Å; R380-Q384 PolarHBondContact O-N 3.27Å
381	V	89.9	Confident	91.9	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-44.3	177.2	175.1	0	0	0	0	110.5	A185 I377 F378 Q384 F385	A185-V381 HydrophobicContact CB-CG1 3.89Å; I377-V381 WeakPolarHBondContact O-CG2 3.3Å; I377-V381 PolarHBondContact O-N 2.83Å; F378-V381 PolarHBondContact O-N 2.98Å; V381-Q384 PolarHBondContact O-N 2.96Å; V381-F385 WeakPolarHBondContact O-CB 3.33Å; V381-F385 PolarHBondContact O-N 3.08Å
382	G	91.2	Very high	91.8	Very high	6 Å²	6	53.3 Å²	53.3	6%	0.062	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-45.8	177.8	0	0	0	0	0	113.2	F378 R379 Q384 F385 S386	F378-G382 PolarHBondContact O-N 2.67Å; R379-G382 PolarHBondContact O-N 2.7Å; G382-Q384 VanDerWaalsContact C-N 3.34Å; G382-Q384 PolarHBondContact O-N 2.62Å; G382-F385 WeakPolarHBondContact O-CB 3.37Å; G382-F385 PolarHBondContact O-N 3.47Å; G382-S386 PolarHBondContact O-N 3.39Å; G382-S386 PolarHBondContact O-OG 3.47Å; G382-S386 VanDerWaalsContact O-OG 3.04Å
383	E	91.6	Very high	91.6	Very high	119 Å²	119	54.9 Å²	54.9	56%	0.556	24%	0.243	S	C	*	.	H	α-helix	trans	-60.1	-43	177.2	-76.7	176.4	-171.6	0	0	112.2	R379 L387	R379-E383 HydrophobicContact CG-CG 4.39Å; R379-E383 WeakPolarHBondContact O-CB 3.25Å; R379-E383 WeakPolarHBondContact O-CG 3.45Å; R379-E383 PolarHBondContact O-N 3.14Å; E383-L387 WeakPolarHBondContact O-CB 3.05Å; E383-L387 VanDerWaalsContact O-CG 3.25Å; E383-L387 WeakPolarHBondContact O-CG 3.42Å; E383-L387 PolarHBondContact O-N 3.35Å; E383-L387 VanDerWaalsContact O-N 3.1Å
384	Q	90.2	Very high	91.5	Very high	67 Å²	67	58.3 Å²	58.3	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-41.4	176.6	-69.8	-176.5	-9.3	0	0	111.8	P182 R380 V381 G382 L387 M388	P182-Q384 HydrophobicContact CB-CB 3.92Å; P182-Q384 HydrophobicContact CG-CB 3.74Å; R380-Q384 WeakPolarHBondContact O-CG 3.49Å; R380-Q384 PolarHBondContact O-N 3.27Å; V381-Q384 PolarHBondContact O-N 2.96Å; G382-Q384 VanDerWaalsContact C-N 3.34Å; G382-Q384 PolarHBondContact O-N 2.62Å; Q384-L387 PolarHBondContact O-N 3.39Å; Q384-M388 WeakPolarHBondContact O-CG 3.43Å; Q384-M388 PolarHBondContact O-N 3.21Å
385	F	92.8	Very high	91.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.7	-53.6	173.7	176.6	-80.8	0	0	0	111.1	P182 Y183 T186 V381 G382 L387 M388 F389 F408 E412	P182-F385 HydrophobicContact CB-CB 4.42Å; Y183-F385 AromaticContact CD1-CD2 3.52Å; Y183-F385 HydrophobicContact CD1-CD2 3.52Å; Y183-F385 AromaticContact CD1-CE2 3.39Å; Y183-F385 HydrophobicContact CD1-CE2 3.39Å; Y183-F385 HydrophobicContact CD1-CG 4.46Å; Y183-F385 HydrophobicContact CD1-CZ 4.21Å; Y183-F385 AromaticContact CE1-CD2 3.98Å; Y183-F385 HydrophobicContact CE1-CD2 3.98Å; Y183-F385 AromaticContact CE1-CE2 3.84Å; Y183-F385 HydrophobicContact CE1-CE2 3.84Å; Y183-F385 HydrophobicContact CE1-CZ 4.25Å; Y183-F385 HydrophobicContact CG-CD2 4.48Å; T186-F385 HydrophobicContact CG2-CD2 3.81Å; T186-F385 HydrophobicContact CG2-CE2 3.77Å; T186-F385 HydrophobicContact CG2-CG 4.27Å; T186-F385 HydrophobicContact CG2-CZ 4.26Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.37Å; V381-F385 WeakPolarHBondContact O-CB 3.33Å; V381-F385 PolarHBondContact O-N 3.08Å; G382-F385 WeakPolarHBondContact O-CB 3.37Å; G382-F385 PolarHBondContact O-N 3.47Å; F385-L387 VanDerWaalsContact C-N 3.28Å; F385-L387 PolarHBondContact O-N 3.05Å; F385-M388 PolarHBondContact O-N 3.02Å; F385-M388 VanDerWaalsContact O-N 3.09Å; F385-F389 HydrophobicContact CD1-CB 4.25Å; F385-F389 HydrophobicContact CE1-CB 3.93Å; F385-F389 HydrophobicContact CE1-CD1 4.18Å; F385-F389 HydrophobicContact CE1-CG 4.04Å; F385-F389 HydrophobicContact CZ-CB 4.5Å; F385-F389 HydrophobicContact CZ-CG 4.39Å; F385-F389 WeakPolarHBondContact O-CB 3.32Å; F385-F389 PolarHBondContact O-N 3.49Å; F385-F408 AromaticContact CE2-CD1 3.87Å; F385-F408 HydrophobicContact CE2-CD1 3.87Å; F385-F408 HydrophobicContact CZ-CB 4.07Å; F385-F408 AromaticContact CZ-CD1 3.87Å; F385-F408 HydrophobicContact CZ-CD1 3.87Å; F385-F408 HydrophobicContact CZ-CG 4.49Å; F385-F408 WeakPolarHBondContact CZ-O 2.86Å; F385-E412 HydrophobicContact CD1-CB 4.2Å; F385-E412 HydrophobicContact CD1-CG 4.04Å; F385-E412 HydrophobicContact CE1-CB 3.62Å; F385-E412 HydrophobicContact CE1-CG 3.88Å; F385-E412 HydrophobicContact CZ-CB 4.22Å
386	S	92.9	Very high	91.4	Very high	20 Å²	20	64.2 Å²	64.2	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-38	-177.8	-55.2	0	0	0	0	111.8	G382 M388 R390 E412	G382-S386 PolarHBondContact O-N 3.39Å; G382-S386 PolarHBondContact O-OG 3.47Å; G382-S386 VanDerWaalsContact O-OG 3.04Å; S386-M388 VanDerWaalsContact C-N 3.34Å; S386-M388 PolarHBondContact O-N 3.24Å; S386-R390 VanDerWaalsContact O-CB 3.3Å; S386-R390 WeakPolarHBondContact O-CB 3.36Å; S386-R390 WeakPolarHBondContact O-CD 3.09Å; S386-R390 WeakPolarHBondContact O-CG 3.48Å; S386-R390 PolarHBondContact O-N 2.99Å; S386-E412 WeakPolarHBondContact CB-OE1 3.33Å; S386-E412 PolarHBondContact OG-OE1 3.21Å
387	L	91.3	Very high	91.4	Very high	105 Å²	105	67.7 Å²	67.7	55%	0.55	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-39.5	177	-76.1	171.6	0	0	0	112.5	E383 Q384 F385	E383-L387 WeakPolarHBondContact O-CB 3.05Å; E383-L387 VanDerWaalsContact O-CG 3.25Å; E383-L387 WeakPolarHBondContact O-CG 3.42Å; E383-L387 PolarHBondContact O-N 3.35Å; E383-L387 VanDerWaalsContact O-N 3.1Å; Q384-L387 PolarHBondContact O-N 3.39Å; F385-L387 VanDerWaalsContact C-N 3.28Å; F385-L387 PolarHBondContact O-N 3.05Å
388	M	90.6	Very high	91.6	Very high	31 Å²	31	67.8 Å²	67.8	15%	0.153	30%	0.297	C	S	.	.	H	α-helix	trans	-75.4	-44.6	176.6	-66.6	-167.2	-64.4	0	0	111.9	P182 Y183 Q384 F385 S386 R390 R391 K392 A393	P182-M388 HydrophobicContact CB-CE 3.55Å; P182-M388 HydrophobicContact CG-CE 3.6Å; Y183-M388 HydrophobicContact CD2-CE 3.83Å; Y183-M388 HydrophobicContact CD2-SD 4.46Å; Y183-M388 HydrophobicContact CE1-CB 4.46Å; Y183-M388 HydrophobicContact CE2-CB 3.87Å; Y183-M388 HydrophobicContact CE2-CE 3.92Å; Y183-M388 HydrophobicContact CE2-SD 4.18Å; Y183-M388 HydrophobicContact CG-CE 4.21Å; Y183-M388 WeakPolarHBondContact OH-CB 3.28Å; Y183-M388 PolarHBondContact OH-O 2.82Å; Q384-M388 WeakPolarHBondContact O-CG 3.43Å; Q384-M388 PolarHBondContact O-N 3.21Å; F385-M388 PolarHBondContact O-N 3.02Å; F385-M388 VanDerWaalsContact O-N 3.09Å; S386-M388 VanDerWaalsContact C-N 3.34Å; S386-M388 PolarHBondContact O-N 3.24Å; M388-R390 PolarHBondContact O-N 3.43Å; M388-R391 CarbonylContact O-C 3.52Å; M388-R391 WeakPolarHBondContact O-CA 3.43Å; M388-R391 PolarHBondContact O-N 3.44Å; M388-K392 PolarHBondContact O-N 2.82Å; M388-K392 VanDerWaalsContact O-N 3.12Å; M388-A393 PolarHBondContact O-N 3.49Å
389	F	92.4	Very high	91.6	Very high	31 Å²	31	70.3 Å²	70.3	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-39.6	-176.1	-169.2	-121.5	0	0	0	112.3	Y183 F385 R391 K392 L395 F408	Y183-F389 HydrophobicContact CE1-CB 4.09Å; Y183-F389 HydrophobicContact CE1-CD2 4.2Å; Y183-F389 WeakPolarHBondContact OH-CA 3.24Å; Y183-F389 PolarHBondContact OH-N 2.86Å; F385-F389 HydrophobicContact CD1-CB 4.25Å; F385-F389 HydrophobicContact CE1-CB 3.93Å; F385-F389 HydrophobicContact CE1-CD1 4.18Å; F385-F389 HydrophobicContact CE1-CG 4.04Å; F385-F389 HydrophobicContact CZ-CB 4.5Å; F385-F389 HydrophobicContact CZ-CG 4.39Å; F385-F389 WeakPolarHBondContact O-CB 3.32Å; F385-F389 PolarHBondContact O-N 3.49Å; F389-R391 PolarHBondContact O-N 3Å; F389-R391 VanDerWaalsContact O-N 3.13Å; F389-K392 PolarHBondContact O-N 2.97Å; F389-L395 HydrophobicContact CD2-CD1 4.45Å; F389-L395 HydrophobicContact CE2-CD1 4.16Å; F389-L395 HydrophobicContact CE2-CD2 4.31Å; F389-F408 HydrophobicContact CD2-CB 4.2Å; F389-F408 HydrophobicContact CD2-CG 4.48Å; F389-F408 HydrophobicContact CE2-CB 3.56Å; F389-F408 HydrophobicContact CE2-CD1 4.49Å; F389-F408 HydrophobicContact CE2-CG 4.02Å; F389-F408 HydrophobicContact CZ-CB 3.78Å
390	R	91.8	Very high	91.6	Very high	207 Å²	207	68.2 Å²	68.2	78%	0.781	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.7	172	-75.3	173.3	-173.9	-178.2	4.7	113.6	S386 M388	S386-R390 VanDerWaalsContact O-CB 3.3Å; S386-R390 WeakPolarHBondContact O-CB 3.36Å; S386-R390 WeakPolarHBondContact O-CD 3.09Å; S386-R390 WeakPolarHBondContact O-CG 3.48Å; S386-R390 PolarHBondContact O-N 2.99Å; M388-R390 PolarHBondContact O-N 3.43Å
391	R	92.6	Very high	91.7	Very high	207 Å²	207	68.4 Å²	68.4	78%	0.781	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.7	177.4	-64.9	-179.4	179.7	179.3	2	112.9	M388 F389 A393	M388-R391 CarbonylContact O-C 3.52Å; M388-R391 WeakPolarHBondContact O-CA 3.43Å; M388-R391 PolarHBondContact O-N 3.44Å; F389-R391 PolarHBondContact O-N 3Å; F389-R391 VanDerWaalsContact O-N 3.13Å; R391-A393 HydrophobicContact CB-CB 4.5Å; R391-A393 PolarHBondContact O-N 2.98Å; R391-A393 VanDerWaalsContact O-N 3.13Å
392	K	90.9	Very high	91.6	Very high	114 Å²	114	71.2 Å²	71.2	50%	0.496	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	34.1	-171.5	-61.1	-168.8	164.3	-145.8	0	112.7	M388 F389 L395 E405	M388-K392 PolarHBondContact O-N 2.82Å; M388-K392 VanDerWaalsContact O-N 3.12Å; F389-K392 PolarHBondContact O-N 2.97Å; K392-L395 HydrophobicContact CB-CD2 4.1Å; K392-L395 HydrophobicContact CD-CD2 4.26Å; K392-L395 HydrophobicContact CG-CD2 4.1Å; K392-E405 IonicContact NZ-OE1 2.89Å; K392-E405 PolarHBondContact NZ-OE1 3.02Å; K392-E405 IonicContact NZ-OE2 2.67Å; K392-E405 PolarHBondContact NZ-OE2 3.48Å
393	A	90.1	Very high	91.7	Very high	32 Å²	32	71.2 Å²	71.2	26%	0.264	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	134.6	-178.3	0	0	0	0	0	109.9	Y183 M388 R391 L395	Y183-A393 VanDerWaalsContact CE2-O 3.32Å; Y183-A393 WeakPolarHBondContact CE2-O 3.37Å; Y183-A393 PolarHBondContact OH-O 2.82Å; M388-A393 PolarHBondContact O-N 3.49Å; R391-A393 HydrophobicContact CB-CB 4.5Å; R391-A393 PolarHBondContact O-N 2.98Å; R391-A393 VanDerWaalsContact O-N 3.13Å; A393-L395 PolarHBondContact O-N 3.36Å
394	F	91.5	Very high	91.8	Very high	75 Å²	75	70.2 Å²	70.2	33%	0.329	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	4.5	179	-52.9	-76.2	0	0	0	116.6	V179 V180 H396 W397	V179-F394 HydrophobicContact CG2-CD2 4.16Å; V179-F394 HydrophobicContact CG2-CE2 3.57Å; V179-F394 HydrophobicContact CG2-CZ 3.82Å; V180-F394 HydrophobicContact CG1-CB 3.8Å; V180-F394 HydrophobicContact CG1-CD1 4.49Å; V180-F394 HydrophobicContact CG1-CD2 4.05Å; V180-F394 HydrophobicContact CG1-CG 3.86Å; F394-H396 VanDerWaalsContact C-N 3.27Å; F394-H396 PolarHBondContact O-N 2.84Å; F394-W397 HydrophobicContact CD1-CH2 4.35Å; F394-W397 HydrophobicContact CD1-CZ2 4.19Å; F394-W397 WeakPolarHBondContact O-CB 3.44Å; F394-W397 PolarHBondContact O-N 3.46Å
395	L	91.4	Very high	91.8	Very high	6 Å²	6	70.5 Å²	70.5	3%	0.031	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-36.5	-177.1	-170.4	61	0	0	0	113	F389 K392 A393 W397 Y398 T399 E405 F408	F389-L395 HydrophobicContact CD2-CD1 4.45Å; F389-L395 HydrophobicContact CE2-CD1 4.16Å; F389-L395 HydrophobicContact CE2-CD2 4.31Å; K392-L395 HydrophobicContact CB-CD2 4.1Å; K392-L395 HydrophobicContact CD-CD2 4.26Å; K392-L395 HydrophobicContact CG-CD2 4.1Å; A393-L395 PolarHBondContact O-N 3.36Å; L395-W397 PolarHBondContact O-N 2.76Å; L395-W397 VanDerWaalsContact O-N 3.11Å; L395-Y398 PolarHBondContact O-N 3.2Å; L395-T399 HydrophobicContact CG-CG2 4.18Å; L395-T399 PolarHBondContact O-N 2.76Å; L395-T399 PolarHBondContact O-OG1 3.27Å; L395-E405 HydrophobicContact CD2-CG 3.86Å; L395-E405 VanDerWaalsContact CD2-OE1 3.23Å; L395-E405 WeakPolarHBondContact CD2-OE1 3.45Å; L395-E405 HydrophobicContact CG-CG 4.46Å; L395-F408 HydrophobicContact CD1-CD1 4.39Å; L395-F408 HydrophobicContact CD1-CD2 3.83Å; L395-F408 HydrophobicContact CD1-CE1 4.24Å; L395-F408 HydrophobicContact CD1-CE2 3.64Å; L395-F408 HydrophobicContact CD1-CG 4.21Å; L395-F408 HydrophobicContact CD1-CZ 3.87Å
396	H	91.3	Very high	91.7	Very high	124 Å²	124	76 Å²	76	57%	0.574	38%	0.382	S	S	*	.	H	α-helix	trans	-59.5	-20.6	177	69.6	-71.8	0	0	0	114.6	F394 Y398 T399 G400	F394-H396 VanDerWaalsContact C-N 3.27Å; F394-H396 PolarHBondContact O-N 2.84Å; H396-Y398 VanDerWaalsContact C-N 3.32Å; H396-T399 WeakPolarHBondContact CA-OG1 3.46Å; H396-G400 PolarHBondContact O-N 3.28Å; H396-G400 VanDerWaalsContact O-N 3.09Å
397	W	91.7	Very high	91.7	Very high	117 Å²	117	77.3 Å²	77.3	44%	0.443	39%	0.386	S	S	.	.	H	α-helix	trans	-72.2	-29.7	174.2	-68.3	6.1	0	0	0	111.6	N100 F394 L395 E401	N100-W397 PolarHBondContact ND2-O 3.44Å; F394-W397 HydrophobicContact CD1-CH2 4.35Å; F394-W397 HydrophobicContact CD1-CZ2 4.19Å; F394-W397 WeakPolarHBondContact O-CB 3.44Å; F394-W397 PolarHBondContact O-N 3.46Å; L395-W397 PolarHBondContact O-N 2.76Å; L395-W397 VanDerWaalsContact O-N 3.11Å; W397-E401 WeakPolarHBondContact O-CG 3.33Å
398	Y	94.3	Very high	91.8	Very high	1 Å²	1	72.3 Å²	72.3	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-89	-45.7	-179.7	-61.7	-99.2	0	0	0	110.8	N100 W101 A102 Y183 N184 L187 L395 H396 G400 E401 M403 F408	N100-Y398 WeakPolarHBondContact OD1-CD1 3.41Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.39Å; W101-Y398 HydrophobicContact CB-CE1 4.07Å; A102-Y398 HydrophobicContact CB-CD1 3.95Å; A102-Y398 HydrophobicContact CB-CG 4.5Å; Y183-Y398 WeakPolarHBondContact CB-OH 3.48Å; Y183-Y398 HydrophobicContact CD2-CE2 4.11Å; Y183-Y398 HydrophobicContact CG-CE2 4.42Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.22Å; N184-Y398 PolarHBondContact OD1-OH 3.06Å; L187-Y398 HydrophobicContact CD1-CD1 4.36Å; L187-Y398 HydrophobicContact CD1-CE1 4.33Å; L395-Y398 PolarHBondContact O-N 3.2Å; H396-Y398 VanDerWaalsContact C-N 3.32Å; Y398-G400 PolarHBondContact O-N 2.89Å; Y398-E401 PolarHBondContact O-N 2.97Å; Y398-M403 HydrophobicContact CD1-SD 4.33Å; Y398-M403 WeakPolarHBondContact O-CB 3.49Å; Y398-M403 PolarHBondContact O-N 3.05Å; Y398-F408 HydrophobicContact CD1-CE1 4.48Å; Y398-F408 AromaticContact CD1-CZ 3.78Å; Y398-F408 HydrophobicContact CD1-CZ 3.78Å; Y398-F408 HydrophobicContact CD2-CZ 4.03Å; Y398-F408 HydrophobicContact CE1-CZ 4.49Å; Y398-F408 HydrophobicContact CG-CE1 4.4Å; Y398-F408 HydrophobicContact CG-CE2 4.37Å; Y398-F408 AromaticContact CG-CZ 3.53Å; Y398-F408 HydrophobicContact CG-CZ 3.53Å
399	T	92.8	Very high	92	Very high	56 Å²	56	74.4 Å²	74.4	34%	0.344	38%	0.375	S	S	.	.	H	α-helix	trans	-67.4	-26.5	177.9	62.7	0	0	0	0	112.6	L395 H396 E401 G402 M403 E405	L395-T399 HydrophobicContact CG-CG2 4.18Å; L395-T399 PolarHBondContact O-N 2.76Å; L395-T399 PolarHBondContact O-OG1 3.27Å; H396-T399 WeakPolarHBondContact CA-OG1 3.46Å; T399-E401 PolarHBondContact O-N 3.03Å; T399-G402 PolarHBondContact O-N 3.26Å; T399-M403 WeakPolarHBondContact CA-O 3.37Å; T399-M403 WeakPolarHBondContact CG2-O 3.4Å; T399-E405 HydrophobicContact CG2-CG 4.16Å
400	G	91.8	Very high	92.1	Very high	60 Å²	60	77.4 Å²	77.4	62%	0.619	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21	171.5	0	0	0	0	0	114.3	H396 Y398	H396-G400 PolarHBondContact O-N 3.28Å; H396-G400 VanDerWaalsContact O-N 3.09Å; Y398-G400 PolarHBondContact O-N 2.89Å
401	E	92.1	Very high	92.2	Very high	52 Å²	52	67.5 Å²	67.5	24%	0.243	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	6.8	178.3	-56.2	-66.6	147.6	0	0	112.4	A102 K103 T107 W397 Y398 T399	A102-E401 HydrophobicContact CB-CB 3.85Å; A102-E401 HydrophobicContact CB-CG 4.34Å; K103-E401 VanDerWaalsContact CE-CD 3.42Å; K103-E401 WeakPolarHBondContact CE-OE1 3.42Å; K103-E401 VanDerWaalsContact CG-CD 3.41Å; K103-E401 HydrophobicContact CG-CG 3.68Å; K103-E401 WeakPolarHBondContact CG-OE2 3.38Å; K103-E401 IonicContact NZ-OE1 2.98Å; T107-E401 HydrophobicContact CG2-CB 4.25Å; T107-E401 VanDerWaalsContact CG2-OE2 3.25Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.45Å; T107-E401 PolarHBondContact OG1-OE2 3.47Å; W397-E401 WeakPolarHBondContact O-CG 3.33Å; Y398-E401 PolarHBondContact O-N 2.97Å; T399-E401 PolarHBondContact O-N 3.03Å
402	G	88.7	Confident	92.2	Very high	66 Å²	66	59.4 Å²	59.4	68%	0.68	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	3.4	175.2	0	0	0	0	0	115.8	T399	T399-G402 PolarHBondContact O-N 3.26Å
403	M	93.4	Very high	92.3	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.03	31%	0.313	C	S	.	.			trans	-79.3	139.1	178.6	-170.5	175.7	-178	0	0	112.4	W101 A102 Y106 L187 Y398 T399 E407 F408	W101-M403 HydrophobicContact CE3-CE 4.49Å; W101-M403 HydrophobicContact CE3-SD 4.19Å; W101-M403 HydrophobicContact CZ3-CE 4.14Å; W101-M403 HydrophobicContact CZ3-SD 4.12Å; A102-M403 HydrophobicContact CB-CB 4.31Å; A102-M403 HydrophobicContact CB-SD 4.25Å; Y106-M403 HydrophobicContact CD2-CB 4.38Å; Y106-M403 HydrophobicContact CE2-CB 4.09Å; Y106-M403 HydrophobicContact CE2-CG 4.07Å; L187-M403 HydrophobicContact CD1-CE 3.64Å; L187-M403 HydrophobicContact CD1-SD 4.05Å; L187-M403 HydrophobicContact CD2-CE 3.42Å; L187-M403 VanDerWaalsContact CD2-CE 3.42Å; L187-M403 HydrophobicContact CG-CE 4.14Å; Y398-M403 HydrophobicContact CD1-SD 4.33Å; Y398-M403 WeakPolarHBondContact O-CB 3.49Å; Y398-M403 PolarHBondContact O-N 3.05Å; T399-M403 WeakPolarHBondContact CA-O 3.37Å; T399-M403 WeakPolarHBondContact CG2-O 3.4Å; M403-E407 HydrophobicContact CE-CB 3.54Å; M403-E407 HydrophobicContact CE-CG 4.49Å; M403-E407 WeakPolarHBondContact CE-OE2 3.44Å; M403-E407 HydrophobicContact CG-CB 4.34Å; M403-E407 WeakPolarHBondContact CG-OE2 3.33Å; M403-F408 HydrophobicContact CE-CD2 3.83Å; M403-F408 HydrophobicContact CE-CE2 3.57Å; M403-F408 HydrophobicContact CE-CG 4.43Å; M403-F408 HydrophobicContact CE-CZ 3.94Å; M403-F408 HydrophobicContact CG-CE2 4.03Å; M403-F408 HydrophobicContact SD-CD2 4.26Å; M403-F408 HydrophobicContact SD-CE2 3.42Å; M403-F408 WeakPolarHBondContact SD-CE2 3.18Å; M403-F408 HydrophobicContact SD-CZ 3.69Å
404	D	92.3	Very high	92.5	Very high	98 Å²	98	55.4 Å²	55.4	52%	0.524	31%	0.309	S	S	.	.			trans	-83.3	148.4	174.9	-159.4	-23.4	0	0	0	111.9	M406 E407	D404-M406 HydrophobicContact CB-CB 4.46Å; D404-M406 PolarHBondContact O-N 3.27Å; D404-M406 PolarHBondContact OD1-N 2.93Å; D404-E407 HydrophobicContact CB-CG 4.48Å; D404-E407 PolarHBondContact N-OE1 3.04Å; D404-E407 VanDerWaalsContact N-OE1 3.14Å; D404-E407 PolarHBondContact O-N 2.53Å
405	E	90.2	Very high	92.6	Very high	72 Å²	72	52.1 Å²	52.1	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-25.6	169.1	-61.9	-165.7	165.8	0	0	111.8	K392 L395 T399 E407 F408 T409	K392-E405 IonicContact NZ-OE1 2.89Å; K392-E405 PolarHBondContact NZ-OE1 3.02Å; K392-E405 IonicContact NZ-OE2 2.67Å; K392-E405 PolarHBondContact NZ-OE2 3.48Å; L395-E405 HydrophobicContact CD2-CG 3.86Å; L395-E405 VanDerWaalsContact CD2-OE1 3.23Å; L395-E405 WeakPolarHBondContact CD2-OE1 3.45Å; L395-E405 HydrophobicContact CG-CG 4.46Å; T399-E405 HydrophobicContact CG2-CG 4.16Å; E405-E407 VanDerWaalsContact C-N 3.34Å; E405-F408 WeakPolarHBondContact O-CB 3.48Å; E405-F408 PolarHBondContact O-N 3.06Å; E405-T409 PolarHBondContact O-N 3.31Å; E405-T409 PolarHBondContact O-OG1 3.37Å
406	M	92.1	Very high	92.7	Very high	115 Å²	115	55.8 Å²	55.8	57%	0.567	31%	0.314	S	S	*	.	H	α-helix	trans	-63.7	-38.2	177.1	-170.4	160.7	176.3	0	0	112.2	D404 F408 T409 E410	D404-M406 HydrophobicContact CB-CB 4.46Å; D404-M406 PolarHBondContact O-N 3.27Å; D404-M406 PolarHBondContact OD1-N 2.93Å; M406-F408 VanDerWaalsContact C-N 3.25Å; M406-F408 PolarHBondContact O-N 3.11Å; M406-T409 WeakPolarHBondContact O-CA 3.45Å; M406-T409 WeakPolarHBondContact O-CB 3.41Å; M406-T409 PolarHBondContact O-N 2.84Å; M406-E410 HydrophobicContact CG-CG 4.49Å; M406-E410 PolarHBondContact O-N 2.92Å
407	E	93	Very high	92.8	Very high	48 Å²	48	53.8 Å²	53.8	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-61.1	-34.2	177.6	-67	175.1	-129.1	0	0	112.1	Y106 M403 D404 E405 T409 A411	Y106-E407 PolarHBondContact OH-OE2 3.47Å; M403-E407 HydrophobicContact CE-CB 3.54Å; M403-E407 HydrophobicContact CE-CG 4.49Å; M403-E407 WeakPolarHBondContact CE-OE2 3.44Å; M403-E407 HydrophobicContact CG-CB 4.34Å; M403-E407 WeakPolarHBondContact CG-OE2 3.33Å; D404-E407 HydrophobicContact CB-CG 4.48Å; D404-E407 PolarHBondContact N-OE1 3.04Å; D404-E407 VanDerWaalsContact N-OE1 3.14Å; D404-E407 PolarHBondContact O-N 2.53Å; E405-E407 VanDerWaalsContact C-N 3.34Å; E407-T409 VanDerWaalsContact C-N 3.32Å; E407-A411 WeakPolarHBondContact O-CB 3.41Å; E407-A411 PolarHBondContact O-N 3.33Å
408	F	93.4	Very high	92.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.4	-40.1	173.4	-76.1	-90.8	0	0	0	112	Y183 L187 F385 F389 L395 Y398 M403 E405 M406 E412	Y183-F408 AromaticContact CD1-CD1 3.8Å; Y183-F408 HydrophobicContact CD1-CD1 3.8Å; Y183-F408 AromaticContact CD1-CE1 3.58Å; Y183-F408 HydrophobicContact CD1-CE1 3.58Å; Y183-F408 HydrophobicContact CE1-CD1 4.05Å; Y183-F408 HydrophobicContact CE1-CE1 4.07Å; Y183-F408 HydrophobicContact CG-CE1 4.11Å; L187-F408 HydrophobicContact CD1-CE1 3.91Å; L187-F408 HydrophobicContact CD1-CZ 4.11Å; L187-F408 HydrophobicContact CD2-CD1 4.37Å; L187-F408 HydrophobicContact CG-CE1 4.47Å; F385-F408 AromaticContact CE2-CD1 3.87Å; F385-F408 HydrophobicContact CE2-CD1 3.87Å; F385-F408 HydrophobicContact CZ-CB 4.07Å; F385-F408 AromaticContact CZ-CD1 3.87Å; F385-F408 HydrophobicContact CZ-CD1 3.87Å; F385-F408 HydrophobicContact CZ-CG 4.49Å; F385-F408 WeakPolarHBondContact CZ-O 2.86Å; F389-F408 HydrophobicContact CD2-CB 4.2Å; F389-F408 HydrophobicContact CD2-CG 4.48Å; F389-F408 HydrophobicContact CE2-CB 3.56Å; F389-F408 HydrophobicContact CE2-CD1 4.49Å; F389-F408 HydrophobicContact CE2-CG 4.02Å; F389-F408 HydrophobicContact CZ-CB 3.78Å; L395-F408 HydrophobicContact CD1-CD1 4.39Å; L395-F408 HydrophobicContact CD1-CD2 3.83Å; L395-F408 HydrophobicContact CD1-CE1 4.24Å; L395-F408 HydrophobicContact CD1-CE2 3.64Å; L395-F408 HydrophobicContact CD1-CG 4.21Å; L395-F408 HydrophobicContact CD1-CZ 3.87Å; Y398-F408 HydrophobicContact CD1-CE1 4.48Å; Y398-F408 AromaticContact CD1-CZ 3.78Å; Y398-F408 HydrophobicContact CD1-CZ 3.78Å; Y398-F408 HydrophobicContact CD2-CZ 4.03Å; Y398-F408 HydrophobicContact CE1-CZ 4.49Å; Y398-F408 HydrophobicContact CG-CE1 4.4Å; Y398-F408 HydrophobicContact CG-CE2 4.37Å; Y398-F408 AromaticContact CG-CZ 3.53Å; Y398-F408 HydrophobicContact CG-CZ 3.53Å; M403-F408 HydrophobicContact CE-CD2 3.83Å; M403-F408 HydrophobicContact CE-CE2 3.57Å; M403-F408 HydrophobicContact CE-CG 4.43Å; M403-F408 HydrophobicContact CE-CZ 3.94Å; M403-F408 HydrophobicContact CG-CE2 4.03Å; M403-F408 HydrophobicContact SD-CD2 4.26Å; M403-F408 HydrophobicContact SD-CE2 3.42Å; M403-F408 WeakPolarHBondContact SD-CE2 3.18Å; M403-F408 HydrophobicContact SD-CZ 3.69Å; E405-F408 WeakPolarHBondContact O-CB 3.48Å; E405-F408 PolarHBondContact O-N 3.06Å; M406-F408 VanDerWaalsContact C-N 3.25Å; M406-F408 PolarHBondContact O-N 3.11Å; F408-E412 WeakPolarHBondContact O-CB 3.41Å; F408-E412 PolarHBondContact O-N 3.3Å
409	T	93.7	Very high	92.8	Very high	76 Å²	76	49 Å²	49	47%	0.466	29%	0.292	S	S	.	.	H	α-helix	trans	-71	-39	-179.1	-52.3	0	0	0	0	110.6	E405 M406 E407 E412 G413	E405-T409 PolarHBondContact O-N 3.31Å; E405-T409 PolarHBondContact O-OG1 3.37Å; M406-T409 WeakPolarHBondContact O-CA 3.45Å; M406-T409 WeakPolarHBondContact O-CB 3.41Å; M406-T409 PolarHBondContact O-N 2.84Å; E407-T409 VanDerWaalsContact C-N 3.32Å; T409-E412 PolarHBondContact O-N 2.85Å; T409-G413 PolarHBondContact O-N 3.02Å
410	E	94.1	Very high	92.9	Very high	93 Å²	93	49 Å²	49	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-46.5	174.5	-70.5	176.3	179.6	0	0	111.5	M406 E412 G413 N414	M406-E410 HydrophobicContact CG-CG 4.49Å; M406-E410 PolarHBondContact O-N 2.92Å; E410-E412 VanDerWaalsContact C-N 3.34Å; E410-E412 PolarHBondContact O-N 2.92Å; E410-G413 PolarHBondContact O-N 3.32Å; E410-N414 PolarHBondContact O-N 3.49Å
411	A	93.9	Very high	92.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-38.1	176.8	0	0	0	0	0	112.5	T186 L187 H190 E407 L415	T186-A411 HydrophobicContact CG2-CB 4.02Å; L187-A411 HydrophobicContact CD2-CB 3.71Å; H190-A411 HydrophobicContact CB-CB 3.93Å; E407-A411 WeakPolarHBondContact O-CB 3.41Å; E407-A411 PolarHBondContact O-N 3.33Å; A411-L415 WeakPolarHBondContact O-CB 3.4Å; A411-L415 PolarHBondContact O-N 3.28Å
412	E	93.9	Very high	93	Very high	36 Å²	36	45.7 Å²	45.7	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-42.9	172.8	-173.1	175.5	-145.1	0	0	111.8	F385 S386 F408 T409 E410 L415 N416	F385-E412 HydrophobicContact CD1-CB 4.2Å; F385-E412 HydrophobicContact CD1-CG 4.04Å; F385-E412 HydrophobicContact CE1-CB 3.62Å; F385-E412 HydrophobicContact CE1-CG 3.88Å; F385-E412 HydrophobicContact CZ-CB 4.22Å; S386-E412 WeakPolarHBondContact CB-OE1 3.33Å; S386-E412 PolarHBondContact OG-OE1 3.21Å; F408-E412 WeakPolarHBondContact O-CB 3.41Å; F408-E412 PolarHBondContact O-N 3.3Å; T409-E412 PolarHBondContact O-N 2.85Å; E410-E412 VanDerWaalsContact C-N 3.34Å; E410-E412 PolarHBondContact O-N 2.92Å; E412-L415 PolarHBondContact O-N 3.35Å; E412-N416 VanDerWaalsContact O-CG 3.32Å; E412-N416 PolarHBondContact O-N 3.05Å; E412-N416 PolarHBondContact O-ND2 2.66Å
413	G	93.6	Very high	93.1	Very high	28 Å²	28	45.3 Å²	45.3	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-57.6	-54.1	175.2	0	0	0	0	0	111.7	T409 E410 L415 N416 D417	T409-G413 PolarHBondContact O-N 3.02Å; E410-G413 PolarHBondContact O-N 3.32Å; G413-L415 VanDerWaalsContact C-N 3.3Å; G413-L415 PolarHBondContact O-N 3.35Å; G413-N416 WeakPolarHBondContact O-CB 3.32Å; G413-N416 PolarHBondContact O-N 2.78Å; G413-D417 PolarHBondContact O-N 2.9Å
414	N	93.6	Very high	93	Very high	35 Å²	35	50.1 Å²	50.1	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-37	179.5	-78.1	-17.9	0	0	0	113.1	H190 E410 D417 L418	H190-N414 PolarHBondContact CE1-ND2 2.9Å; H190-N414 PolarHBondContact ND1-ND2 2.94Å; E410-N414 PolarHBondContact O-N 3.49Å; N414-D417 PolarHBondContact O-N 3.22Å; N414-L418 WeakPolarHBondContact O-CB 3.23Å; N414-L418 PolarHBondContact O-N 3.38Å
415	L	92.8	Very high	92.8	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-40.9	175	-174.9	69.2	0	0	0	111.6	T186 V189 F378 A411 E412 G413 V419	T186-L415 HydrophobicContact CG2-CB 4.48Å; T186-L415 HydrophobicContact CG2-CD2 4.08Å; V189-L415 HydrophobicContact CB-CD1 4.44Å; V189-L415 HydrophobicContact CG1-CD1 3.81Å; F378-L415 HydrophobicContact CB-CD1 3.9Å; F378-L415 HydrophobicContact CD1-CD1 3.73Å; F378-L415 HydrophobicContact CG-CD1 4.11Å; A411-L415 WeakPolarHBondContact O-CB 3.4Å; A411-L415 PolarHBondContact O-N 3.28Å; E412-L415 PolarHBondContact O-N 3.35Å; G413-L415 VanDerWaalsContact C-N 3.3Å; G413-L415 PolarHBondContact O-N 3.35Å; L415-V419 WeakPolarHBondContact O-CG2 3.3Å; L415-V419 PolarHBondContact O-N 3.25Å; L415-V419 VanDerWaalsContact O-N 3.14Å
416	N	93.8	Very high	92.7	Very high	82 Å²	82	44.8 Å²	44.8	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-69	-39	177.2	-71.1	-42.1	0	0	0	111.9	E412 G413 V419 A420	E412-N416 VanDerWaalsContact O-CG 3.32Å; E412-N416 PolarHBondContact O-N 3.05Å; E412-N416 PolarHBondContact O-ND2 2.66Å; G413-N416 WeakPolarHBondContact O-CB 3.32Å; G413-N416 PolarHBondContact O-N 2.78Å; N416-V419 PolarHBondContact O-N 3.27Å; N416-A420 PolarHBondContact O-N 3.26Å
417	D	94.3	Very high	92.4	Very high	83 Å²	83	44.2 Å²	44.2	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-63	-42.9	175.7	-68	-16.6	0	0	0	110.9	G413 N414 V419 A420 E421	G413-D417 PolarHBondContact O-N 2.9Å; N414-D417 PolarHBondContact O-N 3.22Å; D417-V419 VanDerWaalsContact C-N 3.32Å; D417-V419 PolarHBondContact O-N 3.33Å; D417-A420 WeakPolarHBondContact O-CB 3.47Å; D417-A420 PolarHBondContact O-N 2.94Å; D417-A420 VanDerWaalsContact O-N 3.12Å; D417-E421 WeakPolarHBondContact O-CG 3.14Å; D417-E421 PolarHBondContact O-N 3.33Å
418	L	93.2	Very high	91.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-43.3	173.2	178.5	63	0	0	0	112.1	V189 L193 L263 F265 F378 N414 A420 E421 Y422	V189-L418 HydrophobicContact CG1-CD2 4.31Å; L193-L418 HydrophobicContact CD1-CD1 3.76Å; L193-L418 HydrophobicContact CD1-CD2 4.23Å; L193-L418 HydrophobicContact CD1-CG 4.46Å; L263-L418 HydrophobicContact CD2-CD1 3.85Å; F265-L418 HydrophobicContact CD2-CD2 4.15Å; F265-L418 HydrophobicContact CE2-CD1 4.28Å; F265-L418 HydrophobicContact CE2-CD2 3.66Å; F265-L418 HydrophobicContact CZ-CD2 4.33Å; F378-L418 HydrophobicContact CD1-CD2 4.44Å; F378-L418 HydrophobicContact CD2-CD2 4.07Å; F378-L418 HydrophobicContact CE1-CD2 4.29Å; F378-L418 HydrophobicContact CE2-CD2 3.9Å; F378-L418 HydrophobicContact CG-CD2 4.34Å; F378-L418 HydrophobicContact CZ-CD2 4.02Å; N414-L418 WeakPolarHBondContact O-CB 3.23Å; N414-L418 PolarHBondContact O-N 3.38Å; L418-A420 VanDerWaalsContact C-N 3.33Å; L418-E421 PolarHBondContact O-N 3.34Å; L418-Y422 HydrophobicContact CD1-CD2 3.98Å; L418-Y422 HydrophobicContact CD1-CE2 3.6Å; L418-Y422 HydrophobicContact CD2-CE2 4.46Å; L418-Y422 HydrophobicContact CG-CD2 4.06Å; L418-Y422 HydrophobicContact CG-CE2 3.91Å; L418-Y422 VanDerWaalsContact O-CD2 3.27Å; L418-Y422 WeakPolarHBondContact O-CD2 3.25Å; L418-Y422 PolarHBondContact O-N 3.44Å; L418-Y422 VanDerWaalsContact O-N 3.08Å
419	V	93.3	Very high	90.7	Very high	17 Å²	17	45 Å²	45	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-40.3	176.2	169.6	0	0	0	0	111	Q375 F378 L415 N416 D417 Y422 Q423	Q375-V419 HydrophobicContact CB-CG1 4.4Å; F378-V419 HydrophobicContact CB-CG2 3.67Å; L415-V419 WeakPolarHBondContact O-CG2 3.3Å; L415-V419 PolarHBondContact O-N 3.25Å; L415-V419 VanDerWaalsContact O-N 3.14Å; N416-V419 PolarHBondContact O-N 3.27Å; D417-V419 VanDerWaalsContact C-N 3.32Å; D417-V419 PolarHBondContact O-N 3.33Å; V419-Y422 PolarHBondContact O-N 3.39Å; V419-Q423 WeakPolarHBondContact O-CB 3.37Å; V419-Q423 PolarHBondContact O-N 2.83Å
420	A	93.2	Very high	89.1	Confident	55 Å²	55	44 Å²	44	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-42	177.2	0	0	0	0	0	111.9	N416 D417 L418 Q423 Q424	N416-A420 PolarHBondContact O-N 3.26Å; D417-A420 WeakPolarHBondContact O-CB 3.47Å; D417-A420 PolarHBondContact O-N 2.94Å; D417-A420 VanDerWaalsContact O-N 3.12Å; L418-A420 VanDerWaalsContact C-N 3.33Å; A420-Q423 WeakPolarHBondContact O-CB 3.47Å; A420-Q423 PolarHBondContact O-N 3.04Å; A420-Q424 PolarHBondContact O-N 3.31Å
421	E	92.7	Very high	87.2	Confident	43 Å²	43	46.9 Å²	46.9	20%	0.201	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-49.7	174.4	-74.3	171.3	-143.6	0	0	111	R262 L263 D417 L418 Q423 Q424 Y425	R262-E421 WeakPolarHBondContact CB-OE2 3.48Å; R262-E421 IonicContact CZ-OE1 2.85Å; R262-E421 IonicContact NE-OE1 3.39Å; R262-E421 PolarHBondContact NE-OE1 2.97Å; R262-E421 IonicContact NE-OE2 3.17Å; R262-E421 PolarHBondContact NE-OE2 3.37Å; R262-E421 IonicContact NH2-OE1 2.74Å; R262-E421 PolarHBondContact NH2-OE1 3.26Å; L263-E421 HydrophobicContact CD2-CB 4.17Å; D417-E421 WeakPolarHBondContact O-CG 3.14Å; D417-E421 PolarHBondContact O-N 3.33Å; L418-E421 PolarHBondContact O-N 3.34Å; E421-Q423 VanDerWaalsContact C-N 3.26Å; E421-Q423 PolarHBondContact O-N 3.35Å; E421-Q424 WeakPolarHBondContact O-CB 3.44Å; E421-Q424 PolarHBondContact O-N 3.45Å; E421-Y425 WeakPolarHBondContact O-CD2 3.49Å; E421-Y425 PolarHBondContact O-N 3.06Å; E421-Y425 VanDerWaalsContact O-N 3.12Å
422	Y	93.2	Very high	84.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-38.2	176	-84.6	-62.4	0	0	0	112.8	L263 T372 I374 F378 L418 V419 Q426	L263-Y422 HydrophobicContact CB-CE1 4.03Å; L263-Y422 HydrophobicContact CD1-CD1 4.21Å; L263-Y422 HydrophobicContact CD1-CE1 4.17Å; L263-Y422 HydrophobicContact CD2-CD1 3.97Å; L263-Y422 HydrophobicContact CD2-CD2 3.98Å; L263-Y422 HydrophobicContact CD2-CE1 3.76Å; L263-Y422 HydrophobicContact CD2-CE2 3.76Å; L263-Y422 HydrophobicContact CD2-CG 4.08Å; L263-Y422 HydrophobicContact CG-CE1 4.2Å; T372-Y422 HydrophobicContact CG2-CD1 4.33Å; I374-Y422 HydrophobicContact CG2-CD1 4.13Å; I374-Y422 HydrophobicContact CG2-CD2 4.06Å; I374-Y422 HydrophobicContact CG2-CE1 3.66Å; I374-Y422 HydrophobicContact CG2-CE2 3.58Å; I374-Y422 HydrophobicContact CG2-CG 4.31Å; F378-Y422 HydrophobicContact CD2-CE2 4.45Å; F378-Y422 HydrophobicContact CE2-CE2 4.09Å; L418-Y422 HydrophobicContact CD1-CD2 3.98Å; L418-Y422 HydrophobicContact CD1-CE2 3.6Å; L418-Y422 HydrophobicContact CD2-CE2 4.46Å; L418-Y422 HydrophobicContact CG-CD2 4.06Å; L418-Y422 HydrophobicContact CG-CE2 3.91Å; L418-Y422 VanDerWaalsContact O-CD2 3.27Å; L418-Y422 WeakPolarHBondContact O-CD2 3.25Å; L418-Y422 PolarHBondContact O-N 3.44Å; L418-Y422 VanDerWaalsContact O-N 3.08Å; V419-Y422 PolarHBondContact O-N 3.39Å; Y422-Q426 WeakPolarHBondContact O-CB 3.37Å; Y422-Q426 PolarHBondContact O-N 2.84Å; Y422-Q426 VanDerWaalsContact O-N 3.09Å
423	Q	91.4	Very high	82.2	Confident	58 Å²	58	57.7 Å²	57.7	27%	0.271	32%	0.324	S	S	.	.	H	α-helix	trans	-67.9	-41.8	177	-172.5	60.2	49.9	0	0	111.7	V419 A420 E421 Y425 Q426 D427	V419-Q423 WeakPolarHBondContact O-CB 3.37Å; V419-Q423 PolarHBondContact O-N 2.83Å; A420-Q423 WeakPolarHBondContact O-CB 3.47Å; A420-Q423 PolarHBondContact O-N 3.04Å; E421-Q423 VanDerWaalsContact C-N 3.26Å; E421-Q423 PolarHBondContact O-N 3.35Å; Q423-Y425 PolarHBondContact O-N 2.95Å; Q423-Q426 WeakPolarHBondContact O-CB 3.5Å; Q423-Q426 PolarHBondContact O-N 2.56Å; Q423-D427 PolarHBondContact NE2-OD1 3.23Å; Q423-D427 PolarHBondContact NE2-OD2 3.48Å; Q423-D427 PolarHBondContact O-N 2.77Å; Q423-D427 VanDerWaalsContact O-N 3.12Å
424	Q	91.4	Very high	79.8	Confident	108 Å²	108	63.7 Å²	63.7	51%	0.505	34%	0.338	S	S	.	.	H	α-helix	trans	-57.7	-48.2	177.1	-179.5	-178	-7.8	0	0	111.5	A420 E421 Q426 D427 A428	A420-Q424 PolarHBondContact O-N 3.31Å; E421-Q424 WeakPolarHBondContact O-CB 3.44Å; E421-Q424 PolarHBondContact O-N 3.45Å; Q424-Q426 VanDerWaalsContact C-N 3.31Å; Q424-Q426 PolarHBondContact O-N 3.31Å; Q424-D427 PolarHBondContact O-N 3.09Å; Q424-A428 PolarHBondContact O-N 3.29Å
425	Y	88.9	Confident	77.1	Confident	26 Å²	26	70.8 Å²	70.8	10%	0.102	37%	0.37	C	S	.	.	H	α-helix	trans	-73.4	-22.2	179	-67.6	-68.3	0	0	0	113.9	F260 L263 W344 E421 Q423 W434	F260-Y425 HydrophobicContact CD2-CD1 4.43Å; F260-Y425 HydrophobicContact CD2-CD2 4.41Å; F260-Y425 AromaticContact CD2-CE1 3.98Å; F260-Y425 HydrophobicContact CD2-CE1 3.98Å; F260-Y425 AromaticContact CD2-CE2 3.95Å; F260-Y425 HydrophobicContact CD2-CE2 3.95Å; F260-Y425 AromaticContact CD2-CZ 3.7Å; F260-Y425 HydrophobicContact CE1-CE1 4Å; F260-Y425 AromaticContact CE1-CZ 3.92Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.22Å; F260-Y425 AromaticContact CE2-CD1 3.6Å; F260-Y425 HydrophobicContact CE2-CD1 3.6Å; F260-Y425 HydrophobicContact CE2-CD2 4.34Å; F260-Y425 AromaticContact CE2-CE1 3.18Å; F260-Y425 HydrophobicContact CE2-CE1 3.18Å; F260-Y425 AromaticContact CE2-CE2 3.99Å; F260-Y425 HydrophobicContact CE2-CE2 3.99Å; F260-Y425 HydrophobicContact CE2-CG 4.16Å; F260-Y425 AromaticContact CE2-CZ 3.39Å; F260-Y425 HydrophobicContact CG-CE2 4.41Å; F260-Y425 HydrophobicContact CZ-CD1 4Å; F260-Y425 AromaticContact CZ-CE1 3.22Å; F260-Y425 HydrophobicContact CZ-CE1 3.22Å; F260-Y425 AromaticContact CZ-CZ 3.54Å; L263-Y425 HydrophobicContact CD1-CD2 3.43Å; L263-Y425 VanDerWaalsContact CD1-CD2 3.43Å; L263-Y425 HydrophobicContact CD1-CE2 3.71Å; L263-Y425 HydrophobicContact CD1-CG 4.33Å; W344-Y425 HydrophobicContact CZ2-CD1 4.25Å; E421-Y425 WeakPolarHBondContact O-CD2 3.49Å; E421-Y425 PolarHBondContact O-N 3.06Å; E421-Y425 VanDerWaalsContact O-N 3.12Å; Q423-Y425 PolarHBondContact O-N 2.95Å; Y425-W434 HydrophobicContact CD1-CZ2 4.31Å; Y425-W434 AromaticContact CE1-CH2 3.58Å; Y425-W434 HydrophobicContact CE1-CH2 3.58Å; Y425-W434 AromaticContact CE1-CZ2 3.7Å; Y425-W434 HydrophobicContact CE1-CZ2 3.7Å
426	Q	87.4	Confident	74.5	Confident	31 Å²	31	74.3 Å²	74.3	15%	0.145	40%	0.4	C	S	.	.	H	α-helix	trans	-67.8	-40.6	172.6	-176.4	170.8	-54.4	0	0	111.6	R307 R309 T372 Q375 Y422 Q423 Q424	R307-Q426 PolarHBondContact O-NE2 3.11Å; R309-Q426 PolarHBondContact NH1-O 3.42Å; T372-Q426 HydrophobicContact CG2-CB 4.01Å; T372-Q426 PolarHBondContact OG1-OE1 3.05Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.07Å; Y422-Q426 WeakPolarHBondContact O-CB 3.37Å; Y422-Q426 PolarHBondContact O-N 2.84Å; Y422-Q426 VanDerWaalsContact O-N 3.09Å; Q423-Q426 WeakPolarHBondContact O-CB 3.5Å; Q423-Q426 PolarHBondContact O-N 2.56Å; Q424-Q426 VanDerWaalsContact C-N 3.31Å; Q424-Q426 PolarHBondContact O-N 3.31Å
427	D	86.3	Confident	71.7	Confident	103 Å²	103	79.5 Å²	79.5	55%	0.551	42%	0.422	S	S	*	.	H	α-helix	trans	-87.1	-14.9	-178.4	-63.4	-30.2	0	0	0	112.7	Q423 Q424 T429	Q423-D427 PolarHBondContact NE2-OD1 3.23Å; Q423-D427 PolarHBondContact NE2-OD2 3.48Å; Q423-D427 PolarHBondContact O-N 2.77Å; Q423-D427 VanDerWaalsContact O-N 3.12Å; Q424-D427 PolarHBondContact O-N 3.09Å; D427-T429 PolarHBondContact O-N 3.04Å
428	A	79.7	Confident	68.9	Low	6 Å²	6	84 Å²	84	5%	0.05	44%	0.44	C	S	.	.			trans	-58.4	134.4	174.7	0	0	0	0	0	111.9	R309 Q424	R309-A428 PolarHBondContact NH1-O 3.27Å; R309-A428 VanDerWaalsContact NH1-O 3.12Å; Q424-A428 PolarHBondContact O-N 3.29Å
429	T	70.8	Confident	66	Low	58 Å²	58	92.9 Å²	92.9	36%	0.356	48%	0.481	S	S	.	.			trans	-122.2	150.3	173.6	51	0	0	0	0	109.1	D427 D431 L432	D427-T429 PolarHBondContact O-N 3.04Å; T429-D431 PolarHBondContact O-N 3.22Å; T429-L432 PolarHBondContact O-N 3.45Å; T429-L432 VanDerWaalsContact O-N 3.1Å
430	A	60.3	Low	63.1	Low	55 Å²	55	101 Å²	101	46%	0.455	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-16.7	-179.4	0	0	0	0	0	115.3	D343 W344 L432	D343-A430 WeakPolarHBondContact OD2-CB 3.44Å; D343-A430 PolarHBondContact OD2-N 3.47Å; W344-A430 HydrophobicContact CB-CB 4.42Å; A430-L432 VanDerWaalsContact C-N 3.34Å
431	D	52.7	Low	60.3	Low	154 Å²	154	107.5 Å²	107.5	82%	0.824	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.6	179.1	-66.8	-28.5	0	0	0	114.8	T429 D433	T429-D431 PolarHBondContact O-N 3.22Å; D431-D433 PolarHBondContact O-N 2.89Å
432	L	45.7	Very low	57.4	Low	103 Å²	103	115.1 Å²	115.1	54%	0.539	58%	0.575	S	S	.	*	S	Bend	trans	-87.5	97	169.9	-68.9	166	0	0	0	107.3	T429 A430 W434	T429-L432 PolarHBondContact O-N 3.45Å; T429-L432 VanDerWaalsContact O-N 3.1Å; A430-L432 VanDerWaalsContact C-N 3.34Å; L432-W434 PolarHBondContact O-N 2.67Å
433	D	37.7	Very low	54.3	Low	160 Å²	160	118.1 Å²	118.1	86%	0.856	61%	0.606	S	S	*	*			trans	-50.6	101.1	166.8	-82.7	-33.6	0	0	0	108.2	D431 E435	D431-D433 PolarHBondContact O-N 2.89Å; D433-E435 PolarHBondContact O-N 2.9Å
434	W	44.3	Very low	51.6	Low	155 Å²	155	121.5 Å²	121.5	59%	0.587	63%	0.633	S	S	*	*			trans	-67.7	93.3	161.4	-71.4	71	0	0	0	104.9	Y425 L432 A436	Y425-W434 HydrophobicContact CD1-CZ2 4.31Å; Y425-W434 AromaticContact CE1-CH2 3.58Å; Y425-W434 HydrophobicContact CE1-CH2 3.58Å; Y425-W434 AromaticContact CE1-CZ2 3.7Å; Y425-W434 HydrophobicContact CE1-CZ2 3.7Å; L432-W434 PolarHBondContact O-N 2.67Å; W434-A436 PolarHBondContact O-N 3.13Å
435	E	36.1	Very low	48.7	Very low	183 Å²	183	122.4 Å²	122.4	86%	0.855	65%	0.652	S	S	*	*			trans	-55.8	95.6	153.7	-77.6	-176.1	169.1	0	0	104.9	D433 E437	D433-E435 PolarHBondContact O-N 2.9Å; E435-E437 PolarHBondContact O-N 2.98Å
436	A	37.5	Very low	45.9	Very low	81 Å²	81	126.6 Å²	126.6	67%	0.669	69%	0.685	S	S	*	*			trans	-53.1	116.9	166	0	0	0	0	0	105.3	W434 E438	W434-A436 PolarHBondContact O-N 3.13Å; A436-E438 PolarHBondContact O-N 3.47Å
437	E	36.2	Very low	43.2	Very low	190 Å²	190	129.5 Å²	129.5	89%	0.888	71%	0.714	S	S	*	*			trans	-56.3	99.2	164.5	-72.3	179.9	160.7	0	0	105.6	E435 E439	E435-E437 PolarHBondContact O-N 2.98Å; E437-E439 PolarHBondContact O-N 2.83Å
438	E	34.3	Very low	40.4	Very low	179 Å²	179	136.2 Å²	136.2	84%	0.836	73%	0.732	S	S	*	*			trans	-59	106.4	169.2	-75.8	-174.9	162.8	0	0	105.8	A436 E440	A436-E438 PolarHBondContact O-N 3.47Å; E438-E440 PolarHBondContact O-N 3.47Å
439	E	33.3	Very low	38	Very low	185 Å²	185	143.5 Å²	143.5	86%	0.864	77%	0.768	S	S	*	*			trans	-52.4	109.2	163.5	-72.4	-177.3	155.4	0	0	107.2	E437 E441	E437-E439 PolarHBondContact O-N 2.83Å; E439-E441 PolarHBondContact O-N 3.09Å
440	E	32.7	Very low	35.9	Very low	187 Å²	187	146.5 Å²	146.5	87%	0.874	79%	0.786	S	S	*	*			trans	-59.5	101.2	170.4	-80	-172.9	154	0	0	108.3	E438 E442	E438-E440 PolarHBondContact O-N 3.47Å; E440-E442 PolarHBondContact O-N 3.28Å
441	E	33.1	Very low	34.3	Very low	193 Å²	193	153.3 Å²	153.3	90%	0.902	81%	0.806	S	S	*	*			trans	-59.5	100.1	166	-81.4	-169.8	147.9	0	0	109.3	E439 G443	E439-E441 PolarHBondContact O-N 3.09Å; E441-G443 PolarHBondContact O-N 3.1Å
442	E	33.1	Very low	33.1	Very low	202 Å²	202	152 Å²	152	94%	0.944	80%	0.803	S	S	*	*			trans	-68.7	106.3	164.5	-82.8	-160.8	152	0	0	110.8	E440	E440-E442 PolarHBondContact O-N 3.28Å
443	G	27.5	Very low	32.3	Very low	64 Å²	64	156 Å²	156	66%	0.66	82%	0.819	S	S	*	*			trans	157.1	138.1	155.7	0	0	0	0	0	113.6	E441	E441-G443 PolarHBondContact O-N 3.1Å
444	P	34.7	Very low	31.8	Very low	128 Å²	128	153.4 Å²	153.4	83%	0.831	81%	0.813	S	S	*	*				-140.1	145.9	52.7	34	-14.7	0	0	0	115.8	S446	P444-S446 PolarHBondContact O-N 2.91Å
445	S	31.3	Very low	31.1	Very low	128 Å²	128	155.7 Å²	155.7	90%	0.895	82%	0.822	S	S	*	*			trans	-64.3	117.9	160.1	167.5	0	0	0	0	110.4
446	S	30.4	Very low	30.7	Very low	114 Å²	114	153.5 Å²	153.5	80%	0.797	82%	0.821	S	S	*	*			trans	-135.6	132.4	152.7	81.7	0	0	0	0	111.7	P444	P444-S446 PolarHBondContact O-N 2.91Å
447	A	29.7	Very low	30.3	Very low	92 Å²	92	156.3 Å²	156.3	76%	0.76	82%	0.82	S	S	*	*			trans	-28.3	129.2	-173.2	0	0	0	0	0	119.3	I449	A447-I449 PolarHBondContact O-N 3.13Å
448	R	28.1	Very low	30	Very low	244 Å²	244	153.1 Å²	153.1	92%	0.921	81%	0.814	S	S	*	*			trans	-44.3	124	157.8	-75.7	171.9	168.3	171.6	-3.7	112.7
449	I	28.4	Very low	29.8	Very low	159 Å²	159	154.4 Å²	154.4	82%	0.815	82%	0.817	S	S	*	*			trans	-105.6	109.2	153	-64.6	176.8	0	0	0	107.6	A447 K451	A447-I449 PolarHBondContact O-N 3.13Å; I449-K451 PolarHBondContact O-N 3.26Å
450	T	26.8	Very low	29.6	Very low	121 Å²	121	153.2 Å²	153.2	74%	0.742	82%	0.816	S	S	*	*			trans	-69.4	115.4	175.6	-42.4	0	0	0	0	110
451	K	27.3	Very low	29.6	Very low	197 Å²	197	153 Å²	153	86%	0.857	82%	0.815	S	S	*	*			trans	-129.5	108.5	156	-94.4	-173.7	178.2	178.1	0	110.3	I449	I449-K451 PolarHBondContact O-N 3.26Å
452	V	27.6	Very low	29.5	Very low	127 Å²	127	150.5 Å²	150.5	77%	0.77	81%	0.813	S	S	*	*			trans	-48.2	126.9	162.4	173.3	0	0	0	0	109.7
453	Q	28	Very low	29.4	Very low	188 Å²	188	147.4 Å²	147.4	88%	0.879	81%	0.807	S	S	*	*			trans	-157.2	114.1	145.2	-111.9	168.1	12.5	0	0	111.4
454	S	28.3	Very low	29.6	Very low	105 Å²	105	150 Å²	150	73%	0.734	81%	0.81	S	S	*	*			trans	-49.8	137.3	167.3	49.4	0	0	0	0	112.9
455	R	27.9	Very low	29.4	Very low	203 Å²	203	153.1 Å²	153.1	77%	0.766	81%	0.814	S	S	*	*			trans	-143.2	91.3	156.6	-130.5	174.2	176.2	-179.8	-5.3	111.2	E457	R455-E457 HydrophobicContact CG-CG 4.48Å; R455-E457 IonicContact CZ-OE1 3.33Å; R455-E457 IonicContact NE-OE1 2.89Å; R455-E457 PolarHBondContact NE-OE1 3.12Å; R455-E457 IonicContact NE-OE2 3.85Å; R455-E457 IonicContact NH2-OE1 2.88Å; R455-E457 PolarHBondContact NH2-OE1 3.03Å; R455-E457 IonicContact NH2-OE2 3.53Å
456	T	28.3	Very low	29.5	Very low	136 Å²	136	152.6 Å²	152.6	83%	0.834	81%	0.805	S	S	*	*			trans	-95.2	112.3	150.8	-41.9	0	0	0	0	104.8
457	E	30	Very low	29.6	Very low	141 Å²	141	154.9 Å²	154.9	66%	0.659	81%	0.808	S	S	*	*			trans	-115.7	110.6	168.4	-94.8	175	-152.4	0	0	109.4	R455	R455-E457 HydrophobicContact CG-CG 4.48Å; R455-E457 IonicContact CZ-OE1 3.33Å; R455-E457 IonicContact NE-OE1 2.89Å; R455-E457 PolarHBondContact NE-OE1 3.12Å; R455-E457 IonicContact NE-OE2 3.85Å; R455-E457 IonicContact NH2-OE1 2.88Å; R455-E457 PolarHBondContact NH2-OE1 3.03Å; R455-E457 IonicContact NH2-OE2 3.53Å
458	T	29.1	Very low	30	Very low	123 Å²	123	159.8 Å²	159.8	76%	0.755	81%	0.813	S	S	*	*			trans	-51.1	133.3	163	-39.8	0	0	0	0	110.6
459	K	29.8	Very low	30.3	Very low	205 Å²	205	157.3 Å²	157.3	89%	0.891	81%	0.811	S	S	*	*			trans	-67.6	127.6	164.9	-76.9	-177.6	173.8	-176	0	109.6
460	L	30.7	Very low	30.7	Very low	161 Å²	161	155.5 Å²	155.5	84%	0.843	81%	0.808	S	S	*	*			trans	-144.3	113.1	155.8	-100	154.2	0	0	0	108
461	E	32.2	Very low	31.4	Very low	183 Å²	183	155.5 Å²	155.5	86%	0.855	81%	0.808	S	S	*	*			trans	-69	146.9	171.4	-69.3	172.7	159.1	0	0	109.9
462	T	29.7	Very low	31.9	Very low	140 Å²	140	153.4 Å²	153.4	86%	0.859	81%	0.806	S	S	*	*			trans	-146.6	109.9	156.8	-14	0	0	0	0	108.8
463	V	31.4	Very low	32.4	Very low	136 Å²	136	160 Å²	160	82%	0.824	83%	0.828	S	S	*	*			trans	-89.5	132.2	164	175.1	0	0	0	0	107.7
464	V	31.9	Very low	32.6	Very low	120 Å²	120	158.7 Å²	158.7	73%	0.727	83%	0.826	S	S	*	*			trans	-19.4	135	163.8	-177.9	0	0	0	0	116.1
465	E	31.1	Very low	32.8	Very low	193 Å²	193	161.5 Å²	161.5	90%	0.902	83%	0.831	S	S	*	*				-168.5	124	122.8	-106.5	174	-172.3	0	0	112.9
466	T	33.1	Very low	33.1	Very low	117 Å²	117	159.2 Å²	159.2	72%	0.718	83%	0.834	S	S	*	*			trans	-78.4	132.6	162.5	38.8	0	0	0	0	109.6
467	N	32.3	Very low	33.4	Very low	162 Å²	162	160.5 Å²	160.5	87%	0.866	83%	0.834	S	S	*	*				-168.1	138	124.8	-96.9	-20.6	0	0	0	112.9
468	K	37.2	Very low	33.6	Very low	195 Å²	195	161.8 Å²	161.8	85%	0.848	85%	0.845	S	S	*	*			trans	-70.4	144.3	168.5	-67.5	172.5	173.2	178.2	0	108.7
469	E	34.3	Very low	33.9	Very low	192 Å²	192	164.3 Å²	164.3	90%	0.897	85%	0.851	S	S	*	*				-167	148.8	117.4	-104.9	169.6	-168.5	0	0	111.3
470	T	38.7	Very low	34.2	Very low	121 Å²	121	161.4 Å²	161.4	74%	0.742	85%	0.848	S	S	*	*			trans	-90.2	142.5	-165.8	37.9	0	0	0	0	112.2
471	V	39.5	Very low	34.4	Very low	121 Å²	121	161.5 Å²	161.5	73%	0.733	85%	0.849	S	S	*	*				39.1	122.7	121.2	-169.3	0	0	0	0	115.5
472	D	39.6	Very low	34.6	Very low	152 Å²	152	159.7 Å²	159.7	81%	0.813	85%	0.848	S	S	*	*			cis	-146.2	166.4	29.6	-77.2	-56.8	0	0	0	107.1
473	E	36.7	Very low	35.1	Very low	267 Å²	267	161.5 Å²	161.5	100%	1.248	85%	0.847	S	S	*	*			cis	-136.8	0	26.2	-73	-179.9	141.2	0	0	111.7

Retrieved 473 of 473 residues in 573.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).