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Tubulin beta-4A 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 Q9D6F9, Species MOUSE (Mus musculus, Mouse), Gene Tubb4a, Length 444 aa.

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(Predicted Aligned Error values between residue pairs)

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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	65.2	Low	93.3	Very high	125 Å²	125	33 Å²	33	62%	0.616	15%	0.148	S	C	*	.				0	-165	0	-100.9	169.3	-78.4	0	0	105.4	E3 N48 C129	M1-E3 WeakPolarHBondContact CA-OE1 2.85Å; M1-E3 WeakPolarHBondContact CB-OE1 3.28Å; M1-E3 PolarHBondContact N-OE1 3.33Å; M1-E3 VanDerWaalsContact O-CD 3.3Å; M1-E3 VanDerWaalsContact O-OE1 3.1Å; M1-N48 WeakPolarHBondContact CB-ND2 3.39Å; M1-N48 PolarHBondContact SD-OD1 3.09Å; M1-C129 WeakPolarHBondContact O-CB 3.31Å
2	R	86.1	Confident	93.4	Very high	120 Å²	120	33.1 Å²	33.1	45%	0.453	16%	0.155	S	C	.	.			trans	-105.9	92.1	-172	-72.9	-170.7	173.6	162.8	-16.8	110.2	C129 Q131 D249	R2-C129 CarbonylContact C-O 3.48Å; R2-C129 WeakPolarHBondContact CA-O 3.37Å; R2-Q131 VanDerWaalsContact C-NE2 3.34Å; R2-Q131 VanDerWaalsContact CB-CD 3.42Å; R2-Q131 HydrophobicContact CB-CG 3.44Å; R2-Q131 VanDerWaalsContact CB-CG 3.44Å; R2-Q131 HydrophobicContact CG-CG 4.18Å; R2-Q131 PolarHBondContact O-NE2 2.77Å; R2-D249 IonicContact CZ-OD2 3.46Å; R2-D249 VanDerWaalsContact CZ-OD2 3.24Å; R2-D249 VanDerWaalsContact NH1-CB 3.29Å; R2-D249 VanDerWaalsContact NH1-CG 3.25Å; R2-D249 IonicContact NH1-OD2 3.79Å; R2-D249 PolarHBondContact NH1-OD2 3.29Å; R2-D249 IonicContact NH2-OD2 2.68Å; R2-D249 PolarHBondContact NH2-OD2 3.34Å
3	E	95.7	Very high	93.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	157.7	-170.9	-56.9	79.8	-159.2	0	0	114.2	M1 N48 C127 D128 C129 Q131	M1-E3 WeakPolarHBondContact CA-OE1 2.85Å; M1-E3 WeakPolarHBondContact CB-OE1 3.28Å; M1-E3 PolarHBondContact N-OE1 3.33Å; M1-E3 VanDerWaalsContact O-CD 3.3Å; M1-E3 VanDerWaalsContact O-OE1 3.1Å; E3-N48 VanDerWaalsContact CG-O 3.27Å; E3-N48 WeakPolarHBondContact CG-O 3.46Å; E3-N48 PolarHBondContact OE1-ND2 3.34Å; E3-C127 HydrophobicContact CB-CB 3.91Å; E3-C127 HydrophobicContact CG-CB 4.35Å; E3-D128 PolarHBondContact OE2-N 3.47Å; E3-C129 PolarHBondContact N-O 3.05Å; E3-C129 WeakPolarHBondContact OE2-CA 3.36Å; E3-C129 PolarHBondContact OE2-N 3.15Å; E3-C129 VanDerWaalsContact OE2-O 3.05Å; E3-Q131 PolarHBondContact O-N 3.22Å
4	I	97	Very high	93.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.9	-179.3	-64.3	168.7	0	0	0	109	V49 Y50 Q131 Q134 L240 L250	I4-V49 HydrophobicContact CD1-CG1 3.94Å; I4-V49 HydrophobicContact CG1-CG1 4.24Å; I4-V49 PolarHBondContact N-O 2.86Å; I4-Y50 HydrophobicContact CB-CE1 4.28Å; I4-Y50 HydrophobicContact CD1-CE2 4.3Å; I4-Y50 HydrophobicContact CG2-CE1 4Å; I4-Q131 HydrophobicContact CG1-CB 4.4Å; I4-Q134 HydrophobicContact CG2-CB 4.04Å; I4-Q134 HydrophobicContact CG2-CG 3.61Å; I4-L240 HydrophobicContact CD1-CD1 3.67Å; I4-L250 HydrophobicContact CD1-CD1 3.77Å; I4-L250 HydrophobicContact CD1-CD2 4.46Å; I4-L250 HydrophobicContact CD1-CG 4.03Å; I4-L250 HydrophobicContact CG1-CD1 3.99Å
5	V	98.3	Very high	94	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121	169	178.5	0	0	0	0	108.5	L7 V64 E123 L130 G132 F133 Q134	V5-L7 HydrophobicContact CG1-CD1 4.01Å; V5-V64 HydrophobicContact CG1-CG2 4.16Å; V5-E123 HydrophobicContact CG1-CB 4.07Å; V5-E123 HydrophobicContact CG2-CB 3.97Å; V5-L130 HydrophobicContact CG2-CD1 3.92Å; V5-G132 PolarHBondContact N-O 3.39Å; V5-F133 HydrophobicContact CB-CD1 3.8Å; V5-F133 HydrophobicContact CB-CE1 4.04Å; V5-F133 HydrophobicContact CG1-CD1 4.23Å; V5-F133 HydrophobicContact CG1-CE1 4.45Å; V5-F133 HydrophobicContact CG2-CE1 4.36Å; V5-F133 WeakPolarHBondContact O-CA 3.21Å; V5-Q134 PolarHBondContact O-N 3.12Å
6	H	98.3	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.4	178.1	-172.9	-111.2	0	0	0	110	Q8 W21 R62 A63 V64 Q134 T136	H6-Q8 VanDerWaalsContact CE1-CG 3.49Å; H6-Q8 WeakPolarHBondContact CE1-CG 3.49Å; H6-Q8 PolarHBondContact CE1-NE2 3.5Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.27Å; H6-Q8 PolarHBondContact ND1-NE2 3.2Å; H6-Q8 VanDerWaalsContact ND1-NE2 3.12Å; H6-W21 HydrophobicContact CB-CZ2 3.75Å; H6-W21 AromaticContact ND1-CE2 3.94Å; H6-W21 AromaticContact ND1-NE1 3.4Å; H6-W21 PolarHBondContact ND1-NE1 3.02Å; H6-R62 PolarHBondContact N-O 3.43Å; H6-A63 CarbonylContact O-C 3.42Å; H6-A63 VanDerWaalsContact O-CA 3.26Å; H6-A63 WeakPolarHBondContact O-CA 3.44Å; H6-V64 PolarHBondContact O-N 3.31Å; H6-Q134 CarbonylContact C-O 3.58Å; H6-Q134 WeakPolarHBondContact CA-O 3.49Å; H6-Q134 PolarHBondContact CD2-O 3.4Å; H6-Q134 VanDerWaalsContact CD2-O 3.25Å; H6-T136 PolarHBondContact NE2-OG1 3.01Å
7	L	98.6	Very high	94.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.7	176.7	-69.4	88	0	0	0	109.9	V5 V64 V120 F133 Q134 L135 T136 I155	V5-L7 HydrophobicContact CG1-CD1 4.01Å; L7-V64 WeakPolarHBondContact CA-O 3.46Å; L7-V64 HydrophobicContact CG-CB 4.26Å; L7-V120 HydrophobicContact CD2-CG2 3.73Å; L7-V120 HydrophobicContact CG-CG2 4.43Å; L7-F133 HydrophobicContact CD1-CB 4.11Å; L7-F133 HydrophobicContact CD1-CD1 3.89Å; L7-F133 HydrophobicContact CD1-CG 4.46Å; L7-Q134 PolarHBondContact N-O 3.48Å; L7-L135 HydrophobicContact CB-CD1 3.51Å; L7-L135 CarbonylContact O-C 3.56Å; L7-L135 WeakPolarHBondContact O-CA 3.38Å; L7-T136 PolarHBondContact O-N 2.68Å; L7-I155 HydrophobicContact CD1-CD1 4.41Å; L7-I155 HydrophobicContact CD2-CD1 3.5Å
8	Q	98.2	Very high	94.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.4	177.6	-64	168.1	15.1	0	0	108.8	H6 N14 G17 V64 V66	H6-Q8 VanDerWaalsContact CE1-CG 3.49Å; H6-Q8 WeakPolarHBondContact CE1-CG 3.49Å; H6-Q8 PolarHBondContact CE1-NE2 3.5Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.27Å; H6-Q8 PolarHBondContact ND1-NE2 3.2Å; H6-Q8 VanDerWaalsContact ND1-NE2 3.12Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.36Å; Q8-G17 VanDerWaalsContact CD-CA 3.47Å; Q8-G17 VanDerWaalsContact NE2-CA 3.25Å; Q8-V64 PolarHBondContact N-O 3.17Å; Q8-V66 PolarHBondContact O-N 3.3Å
9	A	97.8	Very high	94.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.3	-176.8	0	0	0	0	0	112.2	V66 L135 T136 H137	A9-V66 WeakPolarHBondContact CA-O 3.45Å; A9-L135 HydrophobicContact CB-CD1 3.96Å; A9-T136 PolarHBondContact N-O 2.96Å; A9-T136 VanDerWaalsContact N-O 3.07Å; A9-H137 HydrophobicContact CB-CB 4.22Å
10	G	96.5	Very high	94.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	72.1	176.5	177	0	0	0	0	0	114.1	C12 G13 N14 V66	G10-C12 PolarHBondContact O-N 3.29Å; G10-G13 PolarHBondContact O-N 3.34Å; G10-N14 PolarHBondContact N-ND2 3.06Å; G10-N14 WeakPolarHBondContact O-CB 3.28Å; G10-N14 PolarHBondContact O-N 3.45Å; G10-N14 PolarHBondContact O-ND2 3.29Å; G10-V66 PolarHBondContact N-O 2.81Å
11	Q	94.6	Very high	94.8	Very high	115 Å²	115	26.6 Å²	26.6	54%	0.537	13%	0.127	S	C	.	.	H	α-helix	trans	-52.3	-50.7	-175.5	-173.8	-176.4	-31.2	0	0	113.4	Q15 D67	Q11-Q15 WeakPolarHBondContact O-CB 3.36Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.49Å; Q11-Q15 PolarHBondContact O-N 3.47Å; Q11-D67 PolarHBondContact N-OD2 2.94Å
12	C	94.5	Very high	96.2	Very high	34 Å²	34	22.6 Å²	22.6	23%	0.23	11%	0.107	C	C	.	.	H	α-helix	trans	-62.9	-47.6	-179.6	178	0	0	0	0	111.9	G10 N14 Q15 I16	G10-C12 PolarHBondContact O-N 3.29Å; C12-N14 PolarHBondContact O-N 2.88Å; C12-Q15 PolarHBondContact O-N 3.03Å; C12-I16 WeakPolarHBondContact O-CG1 3.31Å; C12-I16 PolarHBondContact O-N 3.36Å; C12-I16 VanDerWaalsContact SG-CD1 3.59Å
13	G	96.9	Very high	96.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-44.2	-179.5	0	0	0	0	0	112.8	G10 G17 T136	G10-G13 PolarHBondContact O-N 3.34Å; G13-G17 WeakPolarHBondContact O-CA 3.28Å; G13-G17 PolarHBondContact O-N 3.24Å; G13-T136 VanDerWaalsContact CA-O 3.24Å; G13-T136 WeakPolarHBondContact CA-O 3.47Å
14	N	97.3	Very high	96.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-70.7	-36.6	178.5	-73.4	-71	0	0	0	112.9	Q8 G10 C12 A18 L65 V66 T72 M73 V76	Q8-N14 WeakPolarHBondContact CB-OD1 3.36Å; G10-N14 PolarHBondContact N-ND2 3.06Å; G10-N14 WeakPolarHBondContact O-CB 3.28Å; G10-N14 PolarHBondContact O-N 3.45Å; G10-N14 PolarHBondContact O-ND2 3.29Å; C12-N14 PolarHBondContact O-N 2.88Å; N14-A18 WeakPolarHBondContact O-CB 3.43Å; N14-A18 PolarHBondContact O-N 2.96Å; N14-L65 WeakPolarHBondContact OD1-CB 3.41Å; N14-V66 PolarHBondContact ND2-O 3.33Å; N14-T72 HydrophobicContact CB-CG2 3.49Å; N14-T72 VanDerWaalsContact CB-CG2 3.49Å; N14-M73 HydrophobicContact CB-CE 4.17Å; N14-M73 VanDerWaalsContact ND2-CE 3.34Å; N14-M73 WeakPolarHBondContact ND2-CE 3.26Å; N14-M73 WeakPolarHBondContact OD1-CE 3.47Å; N14-V76 HydrophobicContact CB-CG2 4.2Å
15	Q	95.8	Very high	96.5	Very high	74 Å²	74	18.1 Å²	18.1	35%	0.346	9%	0.092	S	C	.	.	H	α-helix	trans	-68.7	-42.6	177	-73.2	-178.7	8.8	0	0	112.4	Q11 C12 K19	Q11-Q15 WeakPolarHBondContact O-CB 3.36Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.49Å; Q11-Q15 PolarHBondContact O-N 3.47Å; C12-Q15 PolarHBondContact O-N 3.03Å; Q15-K19 PolarHBondContact O-N 2.92Å
16	I	96.8	Very high	96.2	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-65.9	-46.7	174.1	-68.9	170.7	0	0	0	109.8	C12 K19 F20 T136 V169 N226 V229 M233	C12-I16 WeakPolarHBondContact O-CG1 3.31Å; C12-I16 PolarHBondContact O-N 3.36Å; C12-I16 VanDerWaalsContact SG-CD1 3.59Å; I16-K19 PolarHBondContact O-N 2.89Å; I16-F20 WeakPolarHBondContact O-CB 3.21Å; I16-F20 PolarHBondContact O-N 3.47Å; I16-T136 HydrophobicContact CB-CG2 3.94Å; I16-T136 HydrophobicContact CG2-CG2 3.64Å; I16-V169 HydrophobicContact CD1-CG2 3.51Å; I16-N226 HydrophobicContact CG1-CB 4.14Å; I16-N226 VanDerWaalsContact CG1-OD1 3.29Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.47Å; I16-V229 HydrophobicContact CD1-CG1 4.17Å; I16-V229 HydrophobicContact CG1-CG1 4.46Å; I16-V229 HydrophobicContact CG2-CB 4.26Å; I16-V229 HydrophobicContact CG2-CG1 3.5Å; I16-V229 VanDerWaalsContact CG2-CG1 3.5Å; I16-M233 HydrophobicContact CG2-CE 4.48Å; I16-M233 HydrophobicContact CG2-SD 3.47Å; I16-M233 WeakPolarHBondContact CG2-SD 2.99Å
17	G	96.8	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-45.8	-179.4	0	0	0	0	0	112.9	Q8 G13 K19 F20 W21	Q8-G17 VanDerWaalsContact CD-CA 3.47Å; Q8-G17 VanDerWaalsContact NE2-CA 3.25Å; G13-G17 WeakPolarHBondContact O-CA 3.28Å; G13-G17 PolarHBondContact O-N 3.24Å; G17-K19 VanDerWaalsContact C-N 3.32Å; G17-K19 PolarHBondContact O-N 3.28Å; G17-F20 WeakPolarHBondContact O-CB 3.44Å; G17-F20 PolarHBondContact O-N 3.47Å; G17-W21 PolarHBondContact O-N 2.91Å
18	A	96.2	Very high	95.7	Very high	19 Å²	19	20.8 Å²	20.8	16%	0.157	11%	0.106	C	C	.	.	H	α-helix	trans	-54.2	-50	172.8	0	0	0	0	0	110.7	N14 F20 W21 E22 V76	N14-A18 WeakPolarHBondContact O-CB 3.43Å; N14-A18 PolarHBondContact O-N 2.96Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 3.01Å; A18-W21 PolarHBondContact O-N 3.32Å; A18-E22 WeakPolarHBondContact O-CG 3.23Å; A18-E22 PolarHBondContact O-N 3.17Å; A18-V76 HydrophobicContact CB-CG1 4.31Å; A18-V76 HydrophobicContact CB-CG2 4.29Å
19	K	95.7	Very high	95.5	Very high	66 Å²	66	21.4 Å²	21.4	29%	0.287	11%	0.112	S	C	.	.	H	α-helix	trans	-62.6	-39.6	178.4	-169.1	70.7	-158.2	162.6	0	112.7	Q15 I16 G17 E22 V23 S230	Q15-K19 PolarHBondContact O-N 2.92Å; I16-K19 PolarHBondContact O-N 2.89Å; G17-K19 VanDerWaalsContact C-N 3.32Å; G17-K19 PolarHBondContact O-N 3.28Å; K19-E22 WeakPolarHBondContact CD-OE2 3.4Å; K19-E22 IonicContact NZ-OE2 3.05Å; K19-E22 PolarHBondContact NZ-OE2 3.44Å; K19-E22 WeakPolarHBondContact O-CB 3.49Å; K19-E22 PolarHBondContact O-N 3.46Å; K19-V23 WeakPolarHBondContact O-CG2 3.25Å; K19-V23 PolarHBondContact O-N 3.03Å; K19-V23 VanDerWaalsContact O-N 3.07Å; K19-S230 WeakPolarHBondContact CG-OG 3.21Å
20	F	96.9	Very high	95.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.5	-47.5	174.5	169.2	-106.9	0	0	0	111.4	I16 G17 A18 E22 V23 I24 Y50 M233	I16-F20 WeakPolarHBondContact O-CB 3.21Å; I16-F20 PolarHBondContact O-N 3.47Å; G17-F20 WeakPolarHBondContact O-CB 3.44Å; G17-F20 PolarHBondContact O-N 3.47Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 3.01Å; F20-E22 VanDerWaalsContact C-N 3.32Å; F20-E22 PolarHBondContact O-N 2.92Å; F20-V23 PolarHBondContact O-N 3.08Å; F20-V23 VanDerWaalsContact O-N 3.09Å; F20-I24 HydrophobicContact CD1-CD1 4.34Å; F20-I24 HydrophobicContact CD2-CG2 3.99Å; F20-I24 HydrophobicContact CE1-CD1 3.64Å; F20-I24 HydrophobicContact CE1-CG1 4.26Å; F20-I24 HydrophobicContact CE2-CD1 4.5Å; F20-I24 HydrophobicContact CE2-CG2 3.48Å; F20-I24 VanDerWaalsContact CE2-CG2 3.48Å; F20-I24 HydrophobicContact CZ-CD1 3.74Å; F20-I24 HydrophobicContact CZ-CG1 4.29Å; F20-I24 HydrophobicContact CZ-CG2 3.8Å; F20-I24 WeakPolarHBondContact O-CG1 3.43Å; F20-I24 PolarHBondContact O-N 3.02Å; F20-Y50 HydrophobicContact CE1-CE1 4.33Å; F20-Y50 HydrophobicContact CZ-CE1 4.32Å; F20-M233 HydrophobicContact CB-CE 4.03Å; F20-M233 HydrophobicContact CB-SD 4.35Å; F20-M233 HydrophobicContact CD1-CE 4.17Å; F20-M233 HydrophobicContact CD2-CB 3.59Å; F20-M233 HydrophobicContact CD2-CE 4Å; F20-M233 HydrophobicContact CE2-CB 3.86Å; F20-M233 HydrophobicContact CG-CB 4.46Å; F20-M233 HydrophobicContact CG-CE 3.8Å
21	W	97.1	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-35.2	176.6	-73.5	111.1	0	0	0	112.9	H6 G17 A18 V23 I24 S25 Y50 Y51 P61 A63 F85	H6-W21 HydrophobicContact CB-CZ2 3.75Å; H6-W21 AromaticContact ND1-CE2 3.94Å; H6-W21 AromaticContact ND1-NE1 3.4Å; H6-W21 PolarHBondContact ND1-NE1 3.02Å; G17-W21 PolarHBondContact O-N 2.91Å; A18-W21 PolarHBondContact O-N 3.32Å; W21-V23 VanDerWaalsContact C-N 3.34Å; W21-I24 HydrophobicContact CD2-CD1 4.28Å; W21-I24 HydrophobicContact CE3-CD1 3.49Å; W21-I24 VanDerWaalsContact CE3-CD1 3.49Å; W21-I24 HydrophobicContact CE3-CG1 3.94Å; W21-I24 HydrophobicContact CH2-CD1 4.28Å; W21-I24 HydrophobicContact CZ3-CD1 3.49Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.49Å; W21-I24 HydrophobicContact CZ3-CG1 4.4Å; W21-S25 WeakPolarHBondContact O-CB 3.44Å; W21-S25 PolarHBondContact O-N 2.94Å; W21-S25 PolarHBondContact O-OG 2.89Å; W21-Y50 AromaticContact CH2-CD1 3.83Å; W21-Y50 HydrophobicContact CH2-CD1 3.83Å; W21-Y50 HydrophobicContact CH2-CG 4.25Å; W21-Y50 WeakPolarHBondContact CH2-O 3.1Å; W21-Y50 HydrophobicContact CZ2-CD1 4.43Å; W21-Y50 HydrophobicContact CZ3-CD1 4.48Å; W21-Y51 HydrophobicContact CE3-CE1 4.24Å; W21-Y51 AromaticContact CE3-CZ 3.88Å; W21-Y51 HydrophobicContact CZ3-CE1 4.07Å; W21-Y51 AromaticContact CZ3-CE2 3.99Å; W21-Y51 HydrophobicContact CZ3-CE2 3.99Å; W21-Y51 AromaticContact CZ3-CZ 3.74Å; W21-P61 HydrophobicContact CD2-CB 3.95Å; W21-P61 HydrophobicContact CD2-CG 4.13Å; W21-P61 HydrophobicContact CE3-CB 3.72Å; W21-P61 HydrophobicContact CE3-CG 3.76Å; W21-P61 HydrophobicContact CH2-CB 3.58Å; W21-P61 HydrophobicContact CH2-CG 4.47Å; W21-P61 HydrophobicContact CZ2-CB 3.8Å; W21-P61 HydrophobicContact CZ3-CB 3.53Å; W21-P61 HydrophobicContact CZ3-CG 3.94Å; W21-A63 HydrophobicContact CZ2-CB 3.65Å; W21-F85 HydrophobicContact CB-CE1 4.28Å; W21-F85 HydrophobicContact CB-CZ 3.75Å; W21-F85 AromaticContact CD1-CE1 3.41Å; W21-F85 VanDerWaalsContact CD1-CE1 3.41Å; W21-F85 AromaticContact CD1-CZ 3.43Å; W21-F85 VanDerWaalsContact CD1-CZ 3.43Å; W21-F85 HydrophobicContact CD2-CE1 4.09Å; W21-F85 HydrophobicContact CD2-CZ 4.45Å; W21-F85 AromaticContact CG-CE1 3.68Å; W21-F85 HydrophobicContact CG-CE1 3.68Å; W21-F85 AromaticContact CG-CZ 3.61Å; W21-F85 HydrophobicContact CG-CZ 3.61Å; W21-F85 AromaticContact NE1-CE1 3.69Å
22	E	95.3	Very high	95.3	Very high	42 Å²	42	20.8 Å²	20.8	20%	0.196	12%	0.116	C	C	.	.	H	α-helix	trans	-60.3	-46.6	171.5	-55.1	-173	165.4	0	0	111	A18 K19 F20 D26 F81	A18-E22 WeakPolarHBondContact O-CG 3.23Å; A18-E22 PolarHBondContact O-N 3.17Å; K19-E22 WeakPolarHBondContact CD-OE2 3.4Å; K19-E22 IonicContact NZ-OE2 3.05Å; K19-E22 PolarHBondContact NZ-OE2 3.44Å; K19-E22 WeakPolarHBondContact O-CB 3.49Å; K19-E22 PolarHBondContact O-N 3.46Å; F20-E22 VanDerWaalsContact C-N 3.32Å; F20-E22 PolarHBondContact O-N 2.92Å; E22-D26 VanDerWaalsContact O-CB 3.28Å; E22-D26 WeakPolarHBondContact O-CB 3.29Å; E22-D26 PolarHBondContact O-N 2.76Å; E22-D26 VanDerWaalsContact O-N 3.15Å; E22-F81 HydrophobicContact CB-CD2 3.97Å; E22-F81 HydrophobicContact CB-CE2 4.01Å; E22-F81 HydrophobicContact CG-CB 4.49Å; E22-F81 HydrophobicContact CG-CD2 3.56Å; E22-F81 HydrophobicContact CG-CE2 4.08Å; E22-F81 HydrophobicContact CG-CG 4.26Å
23	V	94.4	Very high	95.3	Very high	25 Å²	25	23.2 Å²	23.2	15%	0.152	13%	0.13	C	C	.	.	H	α-helix	trans	-65.8	-48.4	-177.2	172.7	0	0	0	0	111.3	K19 F20 W21 D26 E27	K19-V23 WeakPolarHBondContact O-CG2 3.25Å; K19-V23 PolarHBondContact O-N 3.03Å; K19-V23 VanDerWaalsContact O-N 3.07Å; F20-V23 PolarHBondContact O-N 3.08Å; F20-V23 VanDerWaalsContact O-N 3.09Å; W21-V23 VanDerWaalsContact C-N 3.34Å; V23-D26 WeakPolarHBondContact O-CB 3.48Å; V23-D26 PolarHBondContact O-N 2.92Å; V23-E27 WeakPolarHBondContact O-CG 3.34Å; V23-E27 PolarHBondContact O-N 3.45Å; V23-E27 VanDerWaalsContact O-N 3.12Å
24	I	95.1	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-75.5	-31.8	-177.5	63.6	159.9	0	0	0	112.5	F20 W21 D26 E27 H28 Y50 Y51	F20-I24 HydrophobicContact CD1-CD1 4.34Å; F20-I24 HydrophobicContact CD2-CG2 3.99Å; F20-I24 HydrophobicContact CE1-CD1 3.64Å; F20-I24 HydrophobicContact CE1-CG1 4.26Å; F20-I24 HydrophobicContact CE2-CD1 4.5Å; F20-I24 HydrophobicContact CE2-CG2 3.48Å; F20-I24 VanDerWaalsContact CE2-CG2 3.48Å; F20-I24 HydrophobicContact CZ-CD1 3.74Å; F20-I24 HydrophobicContact CZ-CG1 4.29Å; F20-I24 HydrophobicContact CZ-CG2 3.8Å; F20-I24 WeakPolarHBondContact O-CG1 3.43Å; F20-I24 PolarHBondContact O-N 3.02Å; W21-I24 HydrophobicContact CD2-CD1 4.28Å; W21-I24 HydrophobicContact CE3-CD1 3.49Å; W21-I24 VanDerWaalsContact CE3-CD1 3.49Å; W21-I24 HydrophobicContact CE3-CG1 3.94Å; W21-I24 HydrophobicContact CH2-CD1 4.28Å; W21-I24 HydrophobicContact CZ3-CD1 3.49Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.49Å; W21-I24 HydrophobicContact CZ3-CG1 4.4Å; I24-D26 VanDerWaalsContact C-N 3.28Å; I24-D26 PolarHBondContact O-N 3.48Å; I24-E27 PolarHBondContact O-N 3.1Å; I24-H28 PolarHBondContact O-CD2 3.4Å; I24-H28 PolarHBondContact O-N 3.17Å; I24-Y50 HydrophobicContact CD1-CG 4.23Å; I24-Y51 HydrophobicContact CD1-CE2 4.16Å
25	S	95.4	Very high	95.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-45.9	173.2	-61.7	0	0	0	0	109.8	W21 E27 H28 G29 I30 Y51	W21-S25 WeakPolarHBondContact O-CB 3.44Å; W21-S25 PolarHBondContact O-N 2.94Å; W21-S25 PolarHBondContact O-OG 2.89Å; S25-E27 PolarHBondContact O-N 3.37Å; S25-H28 CarbonylContact O-C 3.51Å; S25-H28 PolarHBondContact O-N 3.44Å; S25-H28 VanDerWaalsContact O-N 3.15Å; S25-G29 PolarHBondContact O-N 3.22Å; S25-I30 CarbonylContact C-O 3.4Å; S25-I30 PolarHBondContact O-N 2.98Å; S25-Y51 WeakPolarHBondContact CA-OH 3.08Å; S25-Y51 WeakPolarHBondContact CB-OH 3.29Å; S25-Y51 PolarHBondContact N-OH 3.41Å; S25-Y51 PolarHBondContact OG-OH 3.22Å
26	D	92.3	Very high	95.1	Very high	50 Å²	50	24.6 Å²	24.6	27%	0.267	14%	0.138	S	C	.	.	H	α-helix	trans	-61.3	-42	177.4	-168.7	20.6	0	0	0	112.9	E22 V23 I24 H28 G29 R359	E22-D26 VanDerWaalsContact O-CB 3.28Å; E22-D26 WeakPolarHBondContact O-CB 3.29Å; E22-D26 PolarHBondContact O-N 2.76Å; E22-D26 VanDerWaalsContact O-N 3.15Å; V23-D26 WeakPolarHBondContact O-CB 3.48Å; V23-D26 PolarHBondContact O-N 2.92Å; I24-D26 VanDerWaalsContact C-N 3.28Å; I24-D26 PolarHBondContact O-N 3.48Å; D26-H28 VanDerWaalsContact C-N 3.31Å; D26-H28 PolarHBondContact O-N 3.46Å; D26-G29 PolarHBondContact O-N 3.47Å; D26-G29 VanDerWaalsContact O-N 3.09Å; D26-R359 VanDerWaalsContact CG-CD 3.41Å; D26-R359 WeakPolarHBondContact OD1-CD 3.49Å; D26-R359 IonicContact OD1-CZ 3.71Å; D26-R359 IonicContact OD1-NE 3.91Å; D26-R359 IonicContact OD1-NH1 3.59Å; D26-R359 PolarHBondContact OD1-NH1 2.88Å; D26-R359 WeakPolarHBondContact OD2-CD 3.16Å; D26-R359 IonicContact OD2-CZ 3.8Å; D26-R359 IonicContact OD2-NE 2.81Å; D26-R359 IonicContact OD2-NH1 3.37Å; D26-R359 PolarHBondContact OD2-NH1 2.97Å
27	E	92.4	Very high	94.9	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-33	174.7	-68.6	176.7	-177.2	0	0	113.4	V23 I24 S25 G29 Q43 S234 R241 F242 R318	V23-E27 WeakPolarHBondContact O-CG 3.34Å; V23-E27 PolarHBondContact O-N 3.45Å; V23-E27 VanDerWaalsContact O-N 3.12Å; I24-E27 PolarHBondContact O-N 3.1Å; S25-E27 PolarHBondContact O-N 3.37Å; E27-G29 VanDerWaalsContact C-N 3.28Å; E27-Q43 PolarHBondContact O-NE2 2.82Å; E27-S234 PolarHBondContact OE1-OG 3.33Å; E27-S234 PolarHBondContact OE2-OG 2.87Å; E27-S234 VanDerWaalsContact OE2-OG 3.14Å; E27-R241 IonicContact OE2-CZ 2.83Å; E27-R241 VanDerWaalsContact OE2-CZ 3.23Å; E27-R241 IonicContact OE2-NH1 3.95Å; E27-R241 PolarHBondContact OE2-NH1 3.33Å; E27-R241 IonicContact OE2-NH2 3.04Å; E27-R241 PolarHBondContact OE2-NH2 2.93Å; E27-F242 HydrophobicContact CB-CE2 4.32Å; E27-F242 HydrophobicContact CB-CZ 3.94Å; E27-R318 IonicContact OE1-CZ 3.78Å; E27-R318 IonicContact OE1-NH1 2.61Å; E27-R318 PolarHBondContact OE1-NH1 3.35Å; E27-R318 IonicContact OE1-NH2 3.71Å; E27-R318 PolarHBondContact OE1-NH2 3.36Å; E27-R318 IonicContact OE2-CZ 3.45Å; E27-R318 IonicContact OE2-NH1 3.78Å; E27-R318 PolarHBondContact OE2-NH1 2.93Å; E27-R318 IonicContact OE2-NH2 3.78Å; E27-R318 PolarHBondContact OE2-NH2 3.12Å
28	H	93.4	Very high	94.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.9	173.9	-75.2	-71	0	0	0	113.3	I24 S25 D26 I30 Y36 Q43 I47 R241 F242	I24-H28 PolarHBondContact O-CD2 3.4Å; I24-H28 PolarHBondContact O-N 3.17Å; S25-H28 CarbonylContact O-C 3.51Å; S25-H28 PolarHBondContact O-N 3.44Å; S25-H28 VanDerWaalsContact O-N 3.15Å; D26-H28 VanDerWaalsContact C-N 3.31Å; D26-H28 PolarHBondContact O-N 3.46Å; H28-I30 HydrophobicContact CB-CG1 3.93Å; H28-I30 PolarHBondContact O-N 3.13Å; H28-Y36 VanDerWaalsContact O-CD2 3.26Å; H28-Y36 WeakPolarHBondContact O-CD2 3.35Å; H28-Y36 VanDerWaalsContact O-CE2 3.29Å; H28-Y36 WeakPolarHBondContact O-CE2 3.47Å; H28-Q43 PolarHBondContact ND1-O 2.89Å; H28-I47 HydrophobicContact CB-CD1 4.1Å; H28-I47 HydrophobicContact CB-CG1 4.49Å; H28-R241 PolarHBondContact NE2-NH1 2.8Å; H28-F242 AromaticContact CE1-CE1 3.5Å; H28-F242 AromaticContact CE1-CZ 3.81Å; H28-F242 AromaticContact ND1-CE1 3.69Å
29	G	93.7	Very high	94.1	Very high	12 Å²	12	38.4 Å²	38.4	12%	0.124	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	23.1	-177.6	0	0	0	0	0	113.7	S25 D26 E27 H37 G38	S25-G29 PolarHBondContact O-N 3.22Å; D26-G29 PolarHBondContact O-N 3.47Å; D26-G29 VanDerWaalsContact O-N 3.09Å; E27-G29 VanDerWaalsContact C-N 3.28Å; G29-H37 PolarHBondContact O-N 2.91Å; G29-G38 PolarHBondContact O-N 2.99Å
30	I	95.4	Very high	93.7	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-91.1	126.1	178.4	-56.4	-52.9	0	0	0	109.7	S25 H28 T35 Y36 I47 Y59	S25-I30 CarbonylContact C-O 3.4Å; S25-I30 PolarHBondContact O-N 2.98Å; H28-I30 HydrophobicContact CB-CG1 3.93Å; H28-I30 PolarHBondContact O-N 3.13Å; I30-T35 WeakPolarHBondContact CA-O 3.27Å; I30-Y36 HydrophobicContact CD1-CD2 4.01Å; I30-Y36 HydrophobicContact CD1-CG 4.43Å; I30-I47 HydrophobicContact CD1-CD1 3.82Å; I30-I47 HydrophobicContact CG1-CD1 3.98Å; I30-Y59 HydrophobicContact CD1-CD2 3.37Å; I30-Y59 HydrophobicContact CD1-CE2 4.02Å; I30-Y59 HydrophobicContact CD1-CG 3.86Å; I30-Y59 HydrophobicContact CG1-CD2 4.48Å
31	D	94.8	Very high	93.2	Very high	40 Å²	40	43.9 Å²	43.9	21%	0.214	25%	0.245	C	C	.	.			trans	-85.1	175.3	178.1	85.6	-12.3	0	0	0	112.3	T33 G34 T35 H37	D31-T33 VanDerWaalsContact CG-OG1 3.31Å; D31-T33 PolarHBondContact O-N 3.4Å; D31-T33 WeakPolarHBondContact OD1-CA 3.34Å; D31-T33 WeakPolarHBondContact OD1-CB 3.35Å; D31-T33 PolarHBondContact OD1-N 3.06Å; D31-T33 PolarHBondContact OD1-OG1 3.42Å; D31-T33 PolarHBondContact OD2-OG1 3.47Å; D31-G34 PolarHBondContact O-N 2.77Å; D31-G34 PolarHBondContact OD1-N 3.17Å; D31-T35 PolarHBondContact N-O 3.41Å; D31-T35 PolarHBondContact OD1-N 2.88Å; D31-H37 IonicContact OD2-CD2 2.86Å; D31-H37 IonicContact OD2-NE2 2.98Å
32	P	95.4	Very high	92.8	Very high	59 Å²	59	46.9 Å²	46.9	38%	0.383	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-11.7	176.8	-31.5	40.4	0	0	0	116.8	P80 F81 I84	P32-P80 WeakPolarHBondContact CB-O 3.41Å; P32-F81 HydrophobicContact CB-CD1 4.49Å; P32-F81 HydrophobicContact CG-CD1 4.48Å; P32-F81 HydrophobicContact CG-CE1 4.16Å; P32-F81 HydrophobicContact CG-CE2 4.21Å; P32-F81 HydrophobicContact CG-CZ 4.02Å; P32-I84 WeakPolarHBondContact O-CG2 3.29Å
33	T	93.5	Very high	92.5	Very high	85 Å²	85	45.9 Å²	45.9	52%	0.521	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-6.6	176.1	74.7	0	0	0	0	112.6	D31 T35	D31-T33 VanDerWaalsContact CG-OG1 3.31Å; D31-T33 PolarHBondContact O-N 3.4Å; D31-T33 WeakPolarHBondContact OD1-CA 3.34Å; D31-T33 WeakPolarHBondContact OD1-CB 3.35Å; D31-T33 PolarHBondContact OD1-N 3.06Å; D31-T33 PolarHBondContact OD1-OG1 3.42Å; D31-T33 PolarHBondContact OD2-OG1 3.47Å; T33-T35 WeakPolarHBondContact OG1-CB 3.3Å; T33-T35 PolarHBondContact OG1-OG1 2.87Å
34	G	95.1	Very high	92.4	Very high	1 Å²	1	47 Å²	47	1%	0.01	26%	0.261	C	S	.	.	S	Bend	trans	86	6.4	-172.6	0	0	0	0	0	113.2	D31 N58 Y59	D31-G34 PolarHBondContact O-N 2.77Å; D31-G34 PolarHBondContact OD1-N 3.17Å; G34-N58 CarbonylContact O-C 3.53Å; G34-N58 WeakPolarHBondContact O-CA 3.31Å; G34-Y59 PolarHBondContact O-N 3.08Å
35	T	95.7	Very high	92.1	Very high	45 Å²	45	51.9 Å²	51.9	28%	0.276	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-87.6	138.7	-177.8	-53.5	0	0	0	0	110.6	I30 D31 T33	I30-T35 WeakPolarHBondContact CA-O 3.27Å; D31-T35 PolarHBondContact N-O 3.41Å; D31-T35 PolarHBondContact OD1-N 2.88Å; T33-T35 WeakPolarHBondContact OG1-CB 3.3Å; T33-T35 PolarHBondContact OG1-OG1 2.87Å
36	Y	95	Very high	92	Very high	57 Å²	57	54.5 Å²	54.5	22%	0.224	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-77.9	125.8	174.4	176.7	-103.1	0	0	0	112.6	H28 I30 G38 S40 Q43 L44	H28-Y36 VanDerWaalsContact O-CD2 3.26Å; H28-Y36 WeakPolarHBondContact O-CD2 3.35Å; H28-Y36 VanDerWaalsContact O-CE2 3.29Å; H28-Y36 WeakPolarHBondContact O-CE2 3.47Å; I30-Y36 HydrophobicContact CD1-CD2 4.01Å; I30-Y36 HydrophobicContact CD1-CG 4.43Å; Y36-G38 VanDerWaalsContact CE2-CA 3.41Å; Y36-G38 VanDerWaalsContact OH-C 3.24Å; Y36-G38 WeakPolarHBondContact OH-CA 3.34Å; Y36-G38 PolarHBondContact OH-O 3.48Å; Y36-S40 PolarHBondContact OH-O 3.16Å; Y36-S40 VanDerWaalsContact OH-O 3.08Å; Y36-Q43 HydrophobicContact CE2-CB 4.01Å; Y36-L44 HydrophobicContact CD1-CD1 4.01Å; Y36-L44 HydrophobicContact CD1-CD2 4.39Å; Y36-L44 HydrophobicContact CD1-CG 4.49Å; Y36-L44 HydrophobicContact CD2-CD1 4.45Å; Y36-L44 HydrophobicContact CD2-CD2 3.5Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.5Å; Y36-L44 HydrophobicContact CD2-CG 4.07Å; Y36-L44 HydrophobicContact CE1-CD1 3.78Å; Y36-L44 HydrophobicContact CE1-CG 4.21Å; Y36-L44 HydrophobicContact CE2-CD1 4.24Å; Y36-L44 HydrophobicContact CE2-CD2 3.67Å; Y36-L44 HydrophobicContact CE2-CG 3.74Å; Y36-L44 HydrophobicContact CG-CD1 4.33Å; Y36-L44 HydrophobicContact CG-CD2 3.87Å; Y36-L44 HydrophobicContact CG-CG 4.41Å
37	H	92.9	Very high	92	Very high	131 Å²	131	52.6 Å²	52.6	61%	0.606	28%	0.284	S	S	*	.			trans	-130	22	175.6	-70.3	-69.4	0	0	0	112.2	G29 D31	G29-H37 PolarHBondContact O-N 2.91Å; D31-H37 IonicContact OD2-CD2 2.86Å; D31-H37 IonicContact OD2-NE2 2.98Å
38	G	88.2	Confident	92.1	Very high	23 Å²	23	53.4 Å²	53.4	24%	0.237	29%	0.288	C	S	.	.			trans	-72.2	167.1	178.9	0	0	0	0	0	113.8	G29 Y36	G29-G38 PolarHBondContact O-N 2.99Å; Y36-G38 VanDerWaalsContact CE2-CA 3.41Å; Y36-G38 VanDerWaalsContact OH-C 3.24Å; Y36-G38 WeakPolarHBondContact OH-CA 3.34Å; Y36-G38 PolarHBondContact OH-O 3.48Å
39	D	88.1	Confident	92.2	Very high	157 Å²	157	53.6 Å²	53.6	84%	0.84	29%	0.289	S	S	*	.	S	Bend	trans	-116	3.5	-176.6	65.7	-8.3	0	0	0	113.2	Q43	D39-Q43 VanDerWaalsContact N-OE1 3.08Å
40	S	86.6	Confident	92.3	Very high	40 Å²	40	53.1 Å²	53.1	28%	0.28	28%	0.284	S	S	.	.			trans	-139.5	130.1	-177.4	-176.5	0	0	0	0	112.5	Y36 L42 Q43	Y36-S40 PolarHBondContact OH-O 3.16Å; Y36-S40 VanDerWaalsContact OH-O 3.08Å; S40-L42 PolarHBondContact O-N 3.47Å; S40-L42 VanDerWaalsContact O-N 3.09Å; S40-L42 PolarHBondContact OG-N 2.78Å; S40-Q43 VanDerWaalsContact O-CB 3.29Å; S40-Q43 WeakPolarHBondContact O-CB 3.4Å; S40-Q43 PolarHBondContact O-N 3.34Å
41	D	87.7	Confident	92.4	Very high	141 Å²	141	52.9 Å²	52.9	75%	0.754	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-57.8	-26.4	175.8	-60.8	-28.8	0	0	0	113	Q43 L44 E45	D41-Q43 PolarHBondContact O-N 3.39Å; D41-Q43 VanDerWaalsContact O-N 3.16Å; D41-L44 PolarHBondContact O-N 3.22Å; D41-E45 PolarHBondContact O-N 3.34Å
42	L	87.6	Confident	92.4	Very high	62 Å²	62	53.2 Å²	53.2	33%	0.325	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-59.9	-25.8	175.8	-61	175.2	0	0	0	112.3	S40 L44 F242 P243 I356	S40-L42 PolarHBondContact O-N 3.47Å; S40-L42 VanDerWaalsContact O-N 3.09Å; S40-L42 PolarHBondContact OG-N 2.78Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 3.42Å; L42-F242 WeakPolarHBondContact O-CD1 3.49Å; L42-P243 HydrophobicContact CD2-CG 3.68Å; L42-I356 HydrophobicContact CB-CD1 3.86Å
43	Q	90.2	Very high	92.3	Very high	21 Å²	21	56.4 Å²	56.4	10%	0.098	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-70.6	-25.2	177.9	-63.9	179.2	-65.4	0	0	112.4	E27 H28 Y36 D39 S40 D41	E27-Q43 PolarHBondContact O-NE2 2.82Å; H28-Q43 PolarHBondContact ND1-O 2.89Å; Y36-Q43 HydrophobicContact CE2-CB 4.01Å; D39-Q43 VanDerWaalsContact N-OE1 3.08Å; S40-Q43 VanDerWaalsContact O-CB 3.29Å; S40-Q43 WeakPolarHBondContact O-CB 3.4Å; S40-Q43 PolarHBondContact O-N 3.34Å; D41-Q43 PolarHBondContact O-N 3.39Å; D41-Q43 VanDerWaalsContact O-N 3.16Å
44	L	92	Very high	92.2	Very high	50 Å²	50	54.1 Å²	54.1	26%	0.262	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-22.5	-179.6	-66	-179	0	0	0	113.2	Y36 D41 L42 R46 I47 Y59	Y36-L44 HydrophobicContact CD1-CD1 4.01Å; Y36-L44 HydrophobicContact CD1-CD2 4.39Å; Y36-L44 HydrophobicContact CD1-CG 4.49Å; Y36-L44 HydrophobicContact CD2-CD1 4.45Å; Y36-L44 HydrophobicContact CD2-CD2 3.5Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.5Å; Y36-L44 HydrophobicContact CD2-CG 4.07Å; Y36-L44 HydrophobicContact CE1-CD1 3.78Å; Y36-L44 HydrophobicContact CE1-CG 4.21Å; Y36-L44 HydrophobicContact CE2-CD1 4.24Å; Y36-L44 HydrophobicContact CE2-CD2 3.67Å; Y36-L44 HydrophobicContact CE2-CG 3.74Å; Y36-L44 HydrophobicContact CG-CD1 4.33Å; Y36-L44 HydrophobicContact CG-CD2 3.87Å; Y36-L44 HydrophobicContact CG-CG 4.41Å; D41-L44 PolarHBondContact O-N 3.22Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 3.42Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.21Å; L44-R46 VanDerWaalsContact O-N 3.11Å; L44-I47 HydrophobicContact CD2-CD1 3.75Å; L44-I47 HydrophobicContact CD2-CG2 4.48Å; L44-I47 WeakPolarHBondContact O-CG2 3.28Å; L44-I47 PolarHBondContact O-N 2.8Å; L44-I47 VanDerWaalsContact O-N 3.16Å; L44-Y59 HydrophobicContact CD2-CE2 4.13Å; L44-Y59 WeakPolarHBondContact CD2-OH 3.26Å
45	E	89.6	Confident	91.8	Very high	101 Å²	101	60.7 Å²	60.7	47%	0.472	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.3	-168.2	-168.7	179.5	147.2	0	0	114.8	D41 P243	D41-E45 PolarHBondContact O-N 3.34Å; E45-P243 WeakPolarHBondContact OE2-CG 3.49Å
46	R	92	Very high	91.3	Very high	55 Å²	55	62.4 Å²	62.4	21%	0.208	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127	29	175.5	-50	-179.1	177.7	179.1	-1.3	112.9	L44 N48 V49 C239 L240 R241 F242	L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.21Å; L44-R46 VanDerWaalsContact O-N 3.11Å; R46-N48 PolarHBondContact O-N 2.85Å; R46-V49 HydrophobicContact CB-CG2 3.97Å; R46-V49 WeakPolarHBondContact O-CB 3.49Å; R46-V49 VanDerWaalsContact O-CG2 3.24Å; R46-V49 WeakPolarHBondContact O-CG2 3.38Å; R46-V49 PolarHBondContact O-N 3.22Å; R46-C239 PolarHBondContact NH1-O 3.04Å; R46-L240 VanDerWaalsContact CD-O 3.27Å; R46-L240 WeakPolarHBondContact CD-O 3.37Å; R46-R241 WeakPolarHBondContact CB-O 3.45Å; R46-F242 PolarHBondContact NH1-O 2.86Å
47	I	93.7	Very high	91	Very high	11 Å²	11	61 Å²	61	6%	0.056	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-60.2	-31.5	-179.9	-165.9	162	0	0	0	112.2	H28 I30 L44 V49 Y50 Y51 Y59	H28-I47 HydrophobicContact CB-CD1 4.1Å; H28-I47 HydrophobicContact CB-CG1 4.49Å; I30-I47 HydrophobicContact CD1-CD1 3.82Å; I30-I47 HydrophobicContact CG1-CD1 3.98Å; L44-I47 HydrophobicContact CD2-CD1 3.75Å; L44-I47 HydrophobicContact CD2-CG2 4.48Å; L44-I47 WeakPolarHBondContact O-CG2 3.28Å; L44-I47 PolarHBondContact O-N 2.8Å; L44-I47 VanDerWaalsContact O-N 3.16Å; I47-V49 PolarHBondContact O-N 2.98Å; I47-Y50 PolarHBondContact O-N 2.8Å; I47-Y51 HydrophobicContact CG1-CD2 3.77Å; I47-Y51 HydrophobicContact CG1-CG 4.13Å; I47-Y51 WeakPolarHBondContact O-CB 3.48Å; I47-Y51 WeakPolarHBondContact O-CD2 3.45Å; I47-Y51 PolarHBondContact O-N 2.79Å; I47-Y59 HydrophobicContact CB-CE1 4.45Å; I47-Y59 HydrophobicContact CD1-CD1 3.51Å; I47-Y59 HydrophobicContact CD1-CD2 4.14Å; I47-Y59 HydrophobicContact CD1-CE1 3.66Å; I47-Y59 HydrophobicContact CD1-CE2 4.26Å; I47-Y59 HydrophobicContact CD1-CG 3.75Å; I47-Y59 HydrophobicContact CG1-CD1 3.9Å; I47-Y59 HydrophobicContact CG1-CE1 4.12Å; I47-Y59 HydrophobicContact CG1-CG 4.49Å; I47-Y59 HydrophobicContact CG2-CD1 4.07Å; I47-Y59 HydrophobicContact CG2-CE1 3.53Å
48	N	94.3	Very high	91	Very high	25 Å²	25	57.6 Å²	57.6	13%	0.134	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-61.4	-17.7	-179.3	72.8	-65.7	0	0	0	113.7	M1 E3 R46 Y50 Y51 R62	M1-N48 WeakPolarHBondContact CB-ND2 3.39Å; M1-N48 PolarHBondContact SD-OD1 3.09Å; E3-N48 VanDerWaalsContact CG-O 3.27Å; E3-N48 WeakPolarHBondContact CG-O 3.46Å; E3-N48 PolarHBondContact OE1-ND2 3.34Å; R46-N48 PolarHBondContact O-N 2.85Å; N48-Y50 VanDerWaalsContact C-N 3.27Å; N48-Y50 PolarHBondContact O-N 3.33Å; N48-Y51 CarbonylContact C-O 3.58Å; N48-Y51 WeakPolarHBondContact CA-O 3.44Å; N48-R62 PolarHBondContact O-NE 2.88Å; N48-R62 VanDerWaalsContact O-NE 3.1Å
49	V	95	Very high	91.4	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.03	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-58	-42.1	178.6	174.9	0	0	0	0	111	I4 R46 I47 L240	I4-V49 HydrophobicContact CD1-CG1 3.94Å; I4-V49 HydrophobicContact CG1-CG1 4.24Å; I4-V49 PolarHBondContact N-O 2.86Å; R46-V49 HydrophobicContact CB-CG2 3.97Å; R46-V49 WeakPolarHBondContact O-CB 3.49Å; R46-V49 VanDerWaalsContact O-CG2 3.24Å; R46-V49 WeakPolarHBondContact O-CG2 3.38Å; R46-V49 PolarHBondContact O-N 3.22Å; I47-V49 PolarHBondContact O-N 2.98Å; V49-L240 HydrophobicContact CG1-CB 4.27Å
50	Y	96.6	Very high	91.9	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-13.6	179.4	-78.1	-83.1	0	0	0	113.9	I4 F20 W21 I24 I47 N48 R62 Q134 T237 R241	I4-Y50 HydrophobicContact CB-CE1 4.28Å; I4-Y50 HydrophobicContact CD1-CE2 4.3Å; I4-Y50 HydrophobicContact CG2-CE1 4Å; F20-Y50 HydrophobicContact CE1-CE1 4.33Å; F20-Y50 HydrophobicContact CZ-CE1 4.32Å; W21-Y50 AromaticContact CH2-CD1 3.83Å; W21-Y50 HydrophobicContact CH2-CD1 3.83Å; W21-Y50 HydrophobicContact CH2-CG 4.25Å; W21-Y50 WeakPolarHBondContact CH2-O 3.1Å; W21-Y50 HydrophobicContact CZ2-CD1 4.43Å; W21-Y50 HydrophobicContact CZ3-CD1 4.48Å; I24-Y50 HydrophobicContact CD1-CG 4.23Å; I47-Y50 PolarHBondContact O-N 2.8Å; N48-Y50 VanDerWaalsContact C-N 3.27Å; N48-Y50 PolarHBondContact O-N 3.33Å; Y50-R62 WeakPolarHBondContact O-CB 3.34Å; Y50-R62 PolarHBondContact O-N 3.12Å; Y50-Q134 PolarHBondContact OH-NE2 3.38Å; Y50-Q134 VanDerWaalsContact OH-NE2 3.09Å; Y50-Q134 PolarHBondContact OH-OE1 2.85Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.48Å; Y50-R241 HydrophobicContact CD2-CG 3.5Å; Y50-R241 VanDerWaalsContact CD2-CG 3.5Å; Y50-R241 HydrophobicContact CE2-CG 3.59Å
51	Y	97	Very high	92.4	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	152.6	-179.1	-63.4	-96.3	0	0	0	111.3	W21 I24 S25 I47 N48 V60 P61 R62	W21-Y51 HydrophobicContact CE3-CE1 4.24Å; W21-Y51 AromaticContact CE3-CZ 3.88Å; W21-Y51 HydrophobicContact CZ3-CE1 4.07Å; W21-Y51 AromaticContact CZ3-CE2 3.99Å; W21-Y51 HydrophobicContact CZ3-CE2 3.99Å; W21-Y51 AromaticContact CZ3-CZ 3.74Å; I24-Y51 HydrophobicContact CD1-CE2 4.16Å; S25-Y51 WeakPolarHBondContact CA-OH 3.08Å; S25-Y51 WeakPolarHBondContact CB-OH 3.29Å; S25-Y51 PolarHBondContact N-OH 3.41Å; S25-Y51 PolarHBondContact OG-OH 3.22Å; I47-Y51 HydrophobicContact CG1-CD2 3.77Å; I47-Y51 HydrophobicContact CG1-CG 4.13Å; I47-Y51 WeakPolarHBondContact O-CB 3.48Å; I47-Y51 WeakPolarHBondContact O-CD2 3.45Å; I47-Y51 PolarHBondContact O-N 2.79Å; N48-Y51 CarbonylContact C-O 3.58Å; N48-Y51 WeakPolarHBondContact CA-O 3.44Å; Y51-V60 CarbonylContact C-O 3.12Å; Y51-V60 VanDerWaalsContact CA-O 3.3Å; Y51-V60 WeakPolarHBondContact CA-O 3.28Å; Y51-P61 HydrophobicContact CD1-CG 4.26Å; Y51-P61 HydrophobicContact CE1-CG 3.92Å; Y51-R62 PolarHBondContact O-NE 3Å; Y51-R62 PolarHBondContact O-NH2 3.49Å
52	N	95.1	Very high	92.9	Very high	46 Å²	46	43.4 Å²	43.4	25%	0.246	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.8	163.9	-167.1	0.9	0	0	0	108.4	A54 V60	N52-A54 PolarHBondContact O-N 2.95Å; N52-V60 PolarHBondContact N-O 3.16Å; N52-V60 PolarHBondContact O-N 3.48Å
53	E	93.6	Very high	93.4	Very high	126 Å²	126	40.5 Å²	40.5	59%	0.589	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	110.4	173.8	-169.8	-178.3	176.5	0	0	108.7	Y59	E53-Y59 HydrophobicContact CB-CD1 4.47Å; E53-Y59 HydrophobicContact CB-CE1 4.23Å; E53-Y59 HydrophobicContact CG-CE1 4.22Å
54	A	91	Very high	93.8	Very high	37 Å²	37	39.5 Å²	39.5	31%	0.306	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	167.8	176	0	0	0	0	0	111.4	N52 G56 G57 N58 V60	N52-A54 PolarHBondContact O-N 2.95Å; A54-G56 PolarHBondContact O-N 3.09Å; A54-G57 PolarHBondContact O-N 3.23Å; A54-N58 WeakPolarHBondContact CB-O 3.38Å; A54-N58 PolarHBondContact N-O 3.03Å; A54-V60 HydrophobicContact CB-CG2 3.89Å
55	T	85.6	Confident	94.1	Very high	140 Å²	140	37.1 Å²	37.1	86%	0.859	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	132.6	175.5	50.7	0	0	0	0	111.5
56	G	86.3	Confident	94.5	Very high	81 Å²	81	32.3 Å²	32.3	84%	0.835	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	94	2.3	-178.1	0	0	0	0	0	114.6	A54	A54-G56 PolarHBondContact O-N 3.09Å
57	G	88	Confident	94.7	Very high	28 Å²	28	29.8 Å²	29.8	29%	0.289	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	19.3	179.7	0	0	0	0	0	113.6	A54	A54-G57 PolarHBondContact O-N 3.23Å
58	N	94	Very high	94.8	Very high	59 Å²	59	29.3 Å²	29.3	32%	0.316	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	137.4	176.1	-71.1	-9.2	0	0	0	110.1	G34 A54	G34-N58 CarbonylContact O-C 3.53Å; G34-N58 WeakPolarHBondContact O-CA 3.31Å; A54-N58 WeakPolarHBondContact CB-O 3.38Å; A54-N58 PolarHBondContact N-O 3.03Å
59	Y	96.6	Very high	94.8	Very high	23 Å²	23	32.9 Å²	32.9	9%	0.09	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.5	177.9	-65.7	-85.4	0	0	0	110.4	I30 G34 L44 I47 E53	I30-Y59 HydrophobicContact CD1-CD2 3.37Å; I30-Y59 HydrophobicContact CD1-CE2 4.02Å; I30-Y59 HydrophobicContact CD1-CG 3.86Å; I30-Y59 HydrophobicContact CG1-CD2 4.48Å; G34-Y59 PolarHBondContact O-N 3.08Å; L44-Y59 HydrophobicContact CD2-CE2 4.13Å; L44-Y59 WeakPolarHBondContact CD2-OH 3.26Å; I47-Y59 HydrophobicContact CB-CE1 4.45Å; I47-Y59 HydrophobicContact CD1-CD1 3.51Å; I47-Y59 HydrophobicContact CD1-CD2 4.14Å; I47-Y59 HydrophobicContact CD1-CE1 3.66Å; I47-Y59 HydrophobicContact CD1-CE2 4.26Å; I47-Y59 HydrophobicContact CD1-CG 3.75Å; I47-Y59 HydrophobicContact CG1-CD1 3.9Å; I47-Y59 HydrophobicContact CG1-CE1 4.12Å; I47-Y59 HydrophobicContact CG1-CG 4.49Å; I47-Y59 HydrophobicContact CG2-CD1 4.07Å; I47-Y59 HydrophobicContact CG2-CE1 3.53Å; E53-Y59 HydrophobicContact CB-CD1 4.47Å; E53-Y59 HydrophobicContact CB-CE1 4.23Å; E53-Y59 HydrophobicContact CG-CE1 4.22Å
60	V	97	Very high	94.7	Very high	28 Å²	28	34.7 Å²	34.7	17%	0.17	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.6	-177.6	177.8	0	0	0	0	109.1	Y51 N52 A54 R86	Y51-V60 CarbonylContact C-O 3.12Å; Y51-V60 VanDerWaalsContact CA-O 3.3Å; Y51-V60 WeakPolarHBondContact CA-O 3.28Å; N52-V60 PolarHBondContact N-O 3.16Å; N52-V60 PolarHBondContact O-N 3.48Å; A54-V60 HydrophobicContact CB-CG2 3.89Å; V60-R86 HydrophobicContact CG1-CB 4.27Å
61	P	97.7	Very high	94.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	137.1	174.8	-31.5	39.9	0	0	0	114.1	W21 Y51 A63 I84 F85	W21-P61 HydrophobicContact CD2-CB 3.95Å; W21-P61 HydrophobicContact CD2-CG 4.13Å; W21-P61 HydrophobicContact CE3-CB 3.72Å; W21-P61 HydrophobicContact CE3-CG 3.76Å; W21-P61 HydrophobicContact CH2-CB 3.58Å; W21-P61 HydrophobicContact CH2-CG 4.47Å; W21-P61 HydrophobicContact CZ2-CB 3.8Å; W21-P61 HydrophobicContact CZ3-CB 3.53Å; W21-P61 HydrophobicContact CZ3-CG 3.94Å; Y51-P61 HydrophobicContact CD1-CG 4.26Å; Y51-P61 HydrophobicContact CE1-CG 3.92Å; P61-A63 HydrophobicContact CB-CB 3.9Å; P61-A63 PolarHBondContact O-N 3.26Å; P61-I84 VanDerWaalsContact CD-O 3.28Å; P61-I84 WeakPolarHBondContact CD-O 3.27Å; P61-I84 HydrophobicContact CG-CB 4.5Å; P61-I84 HydrophobicContact CG-CD1 3.37Å; P61-I84 HydrophobicContact CG-CG1 3.62Å; P61-F85 HydrophobicContact CB-CD1 3.92Å; P61-F85 HydrophobicContact CB-CE1 3.93Å; P61-F85 HydrophobicContact CG-CD1 3.96Å; P61-F85 HydrophobicContact CG-CE1 3.92Å
62	R	97.7	Very high	94.1	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.038	24%	0.24	C	C	.	.			trans	-77.8	61.5	163.8	-62.4	-179.5	-172.2	-80.2	-1.1	109.6	H6 N48 Y50 Y51 S126	H6-R62 PolarHBondContact N-O 3.43Å; N48-R62 PolarHBondContact O-NE 2.88Å; N48-R62 VanDerWaalsContact O-NE 3.1Å; Y50-R62 WeakPolarHBondContact O-CB 3.34Å; Y50-R62 PolarHBondContact O-N 3.12Å; Y51-R62 PolarHBondContact O-NE 3Å; Y51-R62 PolarHBondContact O-NH2 3.49Å; R62-S126 PolarHBondContact NH1-O 3.39Å; R62-S126 VanDerWaalsContact NH1-O 3.11Å; R62-S126 PolarHBondContact NH1-OG 3.09Å; R62-S126 VanDerWaalsContact NH1-OG 3.12Å
63	A	98	Very high	94	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.9	-174.2	0	0	0	0	0	111	H6 W21 P61 L65 F85 N89	H6-A63 CarbonylContact O-C 3.42Å; H6-A63 VanDerWaalsContact O-CA 3.26Å; H6-A63 WeakPolarHBondContact O-CA 3.44Å; W21-A63 HydrophobicContact CZ2-CB 3.65Å; P61-A63 HydrophobicContact CB-CB 3.9Å; P61-A63 PolarHBondContact O-N 3.26Å; A63-L65 HydrophobicContact CB-CD1 4.06Å; A63-F85 HydrophobicContact CB-CD1 3.88Å; A63-F85 HydrophobicContact CB-CE1 3.86Å; A63-N89 WeakPolarHBondContact O-CB 3.29Å; A63-N89 PolarHBondContact O-ND2 3.27Å
64	V	98.5	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120	168.3	-174.3	0	0	0	0	108.3	V5 H6 L7 Q8 V66 V116 V119 V120 E123	V5-V64 HydrophobicContact CG1-CG2 4.16Å; H6-V64 PolarHBondContact O-N 3.31Å; L7-V64 WeakPolarHBondContact CA-O 3.46Å; L7-V64 HydrophobicContact CG-CB 4.26Å; Q8-V64 PolarHBondContact N-O 3.17Å; V64-V66 HydrophobicContact CG1-CG2 3.97Å; V64-V116 HydrophobicContact CG1-CG1 4.18Å; V64-V119 HydrophobicContact CB-CG1 4.48Å; V64-V119 HydrophobicContact CG1-CB 4.36Å; V64-V119 HydrophobicContact CG1-CG1 3.92Å; V64-V119 HydrophobicContact CG2-CG1 3.86Å; V64-V120 HydrophobicContact CG1-CG2 4.33Å; V64-V120 HydrophobicContact CG2-CG2 4.14Å; V64-E123 HydrophobicContact CG2-CG 4.19Å
65	L	98.4	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.5	-175.4	-63.3	92	0	0	0	108.8	N14 A63 M73 V76 F85 N89 F90 V91	N14-L65 WeakPolarHBondContact OD1-CB 3.41Å; A63-L65 HydrophobicContact CB-CD1 4.06Å; L65-M73 HydrophobicContact CB-CE 4.45Å; L65-M73 HydrophobicContact CB-SD 4.1Å; L65-V76 HydrophobicContact CD2-CB 4.48Å; L65-V76 HydrophobicContact CD2-CG1 3.75Å; L65-F85 HydrophobicContact CD1-CB 4.47Å; L65-F85 HydrophobicContact CD1-CD1 3.86Å; L65-F85 HydrophobicContact CD1-CE1 4.36Å; L65-F85 HydrophobicContact CD1-CG 4.21Å; L65-N89 PolarHBondContact N-O 3.02Å; L65-F90 HydrophobicContact CB-CD1 4.12Å; L65-F90 HydrophobicContact CB-CE1 4.42Å; L65-F90 HydrophobicContact CD1-CE1 4.44Å; L65-F90 HydrophobicContact CD1-CZ 4.36Å; L65-F90 HydrophobicContact CD2-CD1 4.34Å; L65-F90 HydrophobicContact CD2-CE1 3.81Å; L65-F90 HydrophobicContact CD2-CZ 4.25Å; L65-F90 HydrophobicContact CG-CE1 4.47Å; L65-V91 PolarHBondContact O-N 3.01Å
66	V	98	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.6	-171.5	-171.4	0	0	0	0	110	Q8 A9 G10 N14 V64 V91 L112 V116 M147 L151	Q8-V66 PolarHBondContact O-N 3.3Å; A9-V66 WeakPolarHBondContact CA-O 3.45Å; G10-V66 PolarHBondContact N-O 2.81Å; N14-V66 PolarHBondContact ND2-O 3.33Å; V64-V66 HydrophobicContact CG1-CG2 3.97Å; V66-V91 WeakPolarHBondContact CA-O 3.49Å; V66-L112 HydrophobicContact CG1-CD2 4.31Å; V66-V116 HydrophobicContact CG1-CG2 3.72Å; V66-V116 HydrophobicContact CG2-CB 4.44Å; V66-V116 HydrophobicContact CG2-CG1 3.57Å; V66-V116 HydrophobicContact CG2-CG2 3.93Å; V66-M147 HydrophobicContact CG1-CE 4.35Å; V66-L151 HydrophobicContact CG1-CD1 4.41Å; V66-L151 HydrophobicContact CG2-CD1 4.38Å
67	D	97.3	Very high	94.9	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	155.5	166	-150.9	-23.4	0	0	0	110.9	Q11 T72 M73 V91 F92 G93 T143	Q11-D67 PolarHBondContact N-OD2 2.94Å; D67-T72 WeakPolarHBondContact OD2-CB 3.35Å; D67-T72 PolarHBondContact OD2-OG1 2.94Å; D67-M73 HydrophobicContact CB-CE 3.67Å; D67-V91 PolarHBondContact N-O 2.81Å; D67-F92 CarbonylContact O-C 3.54Å; D67-F92 WeakPolarHBondContact O-CA 3.45Å; D67-F92 VanDerWaalsContact O-CB 3.31Å; D67-F92 WeakPolarHBondContact O-CB 3.34Å; D67-G93 PolarHBondContact O-N 2.88Å; D67-T143 PolarHBondContact OD1-OG1 2.85Å
68	L	96.2	Very high	95.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.194	C	C	.	.	S	Bend	trans	-83.4	-7.7	175.9	-66.6	172.7	0	0	0	112.1	G93 Q94 S95 A97 E108 L112 T143	L68-G93 CarbonylContact O-C 3.48Å; L68-G93 WeakPolarHBondContact O-CA 3.27Å; L68-Q94 PolarHBondContact O-N 3.46Å; L68-S95 WeakPolarHBondContact CB-O 3.43Å; L68-S95 CarbonylContact O-C 3.11Å; L68-S95 PolarHBondContact O-N 3.04Å; L68-S95 VanDerWaalsContact O-O 3.13Å; L68-A97 HydrophobicContact CD1-CB 3.69Å; L68-E108 HydrophobicContact CD1-CB 3.91Å; L68-E108 HydrophobicContact CD2-CB 4.01Å; L68-E108 HydrophobicContact CG-CB 4.47Å; L68-L112 HydrophobicContact CD2-CB 4.32Å; L68-L112 HydrophobicContact CD2-CD2 3.85Å; L68-T143 HydrophobicContact CB-CG2 4.39Å; L68-T143 HydrophobicContact CD1-CG2 4.09Å; L68-T143 HydrophobicContact CG-CG2 3.82Å
69	E	92.6	Very high	95.1	Very high	99 Å²	99	31.7 Å²	31.7	46%	0.463	19%	0.191	S	C	.	.	S	Bend	trans	-128.3	146	178.2	-62.5	-177.6	126.8	0	0	111.8	G71 G96	E69-G71 VanDerWaalsContact C-N 3.34Å; E69-G71 PolarHBondContact O-N 2.64Å; E69-G96 VanDerWaalsContact CG-N 3.34Å
70	P	92.9	Very high	94.9	Very high	43 Å²	43	34.8 Å²	34.8	28%	0.279	22%	0.215	S	C	.	.	H	α-helix	trans	-71.5	-24.8	-178.2	27.1	-34.7	0	0	0	113.9	T72 M73 D74 F92	P70-T72 VanDerWaalsContact C-N 3.33Å; P70-T72 PolarHBondContact O-N 3.49Å; P70-M73 WeakPolarHBondContact O-CB 3.29Å; P70-M73 PolarHBondContact O-N 3.05Å; P70-D74 PolarHBondContact O-N 2.79Å; P70-F92 HydrophobicContact CB-CD2 3.94Å; P70-F92 HydrophobicContact CB-CE2 4.04Å
71	G	91.7	Very high	94.8	Very high	43 Å²	43	34.9 Å²	34.9	44%	0.443	21%	0.213	S	C	.	.	H	α-helix	trans	-60.3	-37.7	-169	0	0	0	0	0	114.5	E69 S75	E69-G71 VanDerWaalsContact C-N 3.34Å; E69-G71 PolarHBondContact O-N 2.64Å; G71-S75 PolarHBondContact O-N 3.1Å; G71-S75 PolarHBondContact O-OG 2.77Å
72	T	90.5	Very high	94.6	Very high	13 Å²	13	35 Å²	35	8%	0.08	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-41	174.5	-55	0	0	0	0	111.2	N14 D67 P70 S75 V76	N14-T72 HydrophobicContact CB-CG2 3.49Å; N14-T72 VanDerWaalsContact CB-CG2 3.49Å; D67-T72 WeakPolarHBondContact OD2-CB 3.35Å; D67-T72 PolarHBondContact OD2-OG1 2.94Å; P70-T72 VanDerWaalsContact C-N 3.33Å; P70-T72 PolarHBondContact O-N 3.49Å; T72-S75 WeakPolarHBondContact O-CB 3.4Å; T72-S75 PolarHBondContact O-N 2.75Å; T72-V76 WeakPolarHBondContact O-CG2 3.41Å; T72-V76 PolarHBondContact O-N 2.85Å
73	M	92.7	Very high	94.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-43.2	-178.4	-59	-63.6	96.3	0	0	111.4	N14 L65 D67 P70 S75 V76 R77 F90 F92	N14-M73 HydrophobicContact CB-CE 4.17Å; N14-M73 VanDerWaalsContact ND2-CE 3.34Å; N14-M73 WeakPolarHBondContact ND2-CE 3.26Å; N14-M73 WeakPolarHBondContact OD1-CE 3.47Å; L65-M73 HydrophobicContact CB-CE 4.45Å; L65-M73 HydrophobicContact CB-SD 4.1Å; D67-M73 HydrophobicContact CB-CE 3.67Å; P70-M73 WeakPolarHBondContact O-CB 3.29Å; P70-M73 PolarHBondContact O-N 3.05Å; M73-S75 VanDerWaalsContact C-N 3.28Å; M73-S75 PolarHBondContact O-N 3.18Å; M73-V76 PolarHBondContact O-N 2.84Å; M73-R77 WeakPolarHBondContact O-CB 3.25Å; M73-R77 WeakPolarHBondContact O-CG 3.5Å; M73-R77 PolarHBondContact O-N 3.5Å; M73-F90 HydrophobicContact CB-CD1 4.26Å; M73-F90 HydrophobicContact SD-CB 4.49Å; M73-F90 HydrophobicContact SD-CD1 3.77Å; M73-F92 HydrophobicContact CB-CD1 4.28Å; M73-F92 HydrophobicContact CG-CB 3.82Å; M73-F92 HydrophobicContact CG-CD1 3.74Å; M73-F92 HydrophobicContact CG-CG 3.91Å
74	D	93	Very high	94.3	Very high	99 Å²	99	42 Å²	42	53%	0.529	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-37.7	175.3	-70.2	-26.7	0	0	0	111.8	P70 R77 S78	P70-D74 PolarHBondContact O-N 2.79Å; D74-R77 PolarHBondContact O-N 3.45Å; D74-S78 WeakPolarHBondContact O-CB 3.48Å; D74-S78 PolarHBondContact O-N 3.04Å; D74-S78 PolarHBondContact O-OG 2.83Å
75	S	93.1	Very high	94.2	Very high	77 Å²	77	42.6 Å²	42.6	54%	0.538	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-41.2	176.1	-58.1	0	0	0	0	111.9	G71 T72 M73 S78 G79	G71-S75 PolarHBondContact O-N 3.1Å; G71-S75 PolarHBondContact O-OG 2.77Å; T72-S75 WeakPolarHBondContact O-CB 3.4Å; T72-S75 PolarHBondContact O-N 2.75Å; M73-S75 VanDerWaalsContact C-N 3.28Å; M73-S75 PolarHBondContact O-N 3.18Å; S75-S78 PolarHBondContact O-OG 3.13Å; S75-S78 VanDerWaalsContact O-OG 3.12Å; S75-G79 PolarHBondContact O-N 3.04Å
76	V	94.3	Very high	94	Very high	11 Å²	11	47.2 Å²	47.2	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-44.9	175.8	176.6	0	0	0	0	111.1	N14 A18 L65 T72 M73 S78 G79 G82 F85 F90	N14-V76 HydrophobicContact CB-CG2 4.2Å; A18-V76 HydrophobicContact CB-CG1 4.31Å; A18-V76 HydrophobicContact CB-CG2 4.29Å; L65-V76 HydrophobicContact CD2-CB 4.48Å; L65-V76 HydrophobicContact CD2-CG1 3.75Å; T72-V76 WeakPolarHBondContact O-CG2 3.41Å; T72-V76 PolarHBondContact O-N 2.85Å; M73-V76 PolarHBondContact O-N 2.84Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 2.86Å; V76-G79 PolarHBondContact O-N 2.84Å; V76-G82 WeakPolarHBondContact O-CA 3.5Å; V76-F85 HydrophobicContact CG1-CD2 4.38Å; V76-F85 HydrophobicContact CG1-CE2 4.12Å; V76-F90 HydrophobicContact CB-CE1 4.44Å; V76-F90 HydrophobicContact CG1-CE1 4.21Å
77	R	94	Very high	93.9	Very high	88 Å²	88	51.2 Å²	51.2	33%	0.332	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-34.5	179.6	-74.7	179.8	178.8	-138.3	0.3	113.5	M73 D74 G79 Q83 P87 F90	M73-R77 WeakPolarHBondContact O-CB 3.25Å; M73-R77 WeakPolarHBondContact O-CG 3.5Å; M73-R77 PolarHBondContact O-N 3.5Å; D74-R77 PolarHBondContact O-N 3.45Å; R77-G79 VanDerWaalsContact C-N 3.3Å; R77-Q83 PolarHBondContact O-NE2 2.61Å; R77-P87 PolarHBondContact NH2-O 3.11Å; R77-F90 HydrophobicContact CG-CD1 4.27Å; R77-F90 HydrophobicContact CG-CE1 3.65Å; R77-F90 HydrophobicContact CG-CE2 4.43Å; R77-F90 HydrophobicContact CG-CZ 3.75Å; R77-F90 VanDerWaalsContact NH2-CB 3.32Å
78	S	93.6	Very high	93.8	Very high	99 Å²	99	57 Å²	57	69%	0.692	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-9.3	175.2	59.4	0	0	0	0	113.5	D74 S75 V76	D74-S78 WeakPolarHBondContact O-CB 3.48Å; D74-S78 PolarHBondContact O-N 3.04Å; D74-S78 PolarHBondContact O-OG 2.83Å; S75-S78 PolarHBondContact O-OG 3.13Å; S75-S78 VanDerWaalsContact O-OG 3.12Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 2.86Å
79	G	93.1	Very high	93.9	Very high	25 Å²	25	57.3 Å²	57.3	26%	0.258	33%	0.326	S	S	.	.	S	Bend	trans	-67.6	164.4	174.9	0	0	0	0	0	112.7	S75 V76 R77 F81 G82	S75-G79 PolarHBondContact O-N 3.04Å; V76-G79 PolarHBondContact O-N 2.84Å; R77-G79 VanDerWaalsContact C-N 3.3Å; G79-F81 VanDerWaalsContact C-N 3.29Å; G79-F81 PolarHBondContact O-N 2.88Å; G79-G82 PolarHBondContact O-N 3.39Å
80	P	92.8	Very high	94.1	Very high	89 Å²	89	53.3 Å²	53.3	58%	0.578	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-41.2	-174.1	-24.7	33.8	0	0	0	113.3	P32	P32-P80 WeakPolarHBondContact CB-O 3.41Å
81	F	94.9	Very high	94.4	Very high	29 Å²	29	52 Å²	52	13%	0.127	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	14.9	177.7	-72.2	-99.8	0	0	0	112.7	E22 P32 G79 Q83 I84 F85	E22-F81 HydrophobicContact CB-CD2 3.97Å; E22-F81 HydrophobicContact CB-CE2 4.01Å; E22-F81 HydrophobicContact CG-CB 4.49Å; E22-F81 HydrophobicContact CG-CD2 3.56Å; E22-F81 HydrophobicContact CG-CE2 4.08Å; E22-F81 HydrophobicContact CG-CG 4.26Å; P32-F81 HydrophobicContact CB-CD1 4.49Å; P32-F81 HydrophobicContact CG-CD1 4.48Å; P32-F81 HydrophobicContact CG-CE1 4.16Å; P32-F81 HydrophobicContact CG-CE2 4.21Å; P32-F81 HydrophobicContact CG-CZ 4.02Å; G79-F81 VanDerWaalsContact C-N 3.29Å; G79-F81 PolarHBondContact O-N 2.88Å; F81-Q83 PolarHBondContact O-N 2.82Å; F81-I84 HydrophobicContact CB-CD1 4.27Å; F81-I84 HydrophobicContact CB-CG1 4.44Å; F81-I84 HydrophobicContact CD1-CD1 4.08Å; F81-I84 HydrophobicContact CD1-CG2 4.25Å; F81-I84 WeakPolarHBondContact O-CG1 3.28Å; F81-I84 PolarHBondContact O-N 2.94Å; F81-F85 WeakPolarHBondContact O-CD2 2.73Å; F81-F85 WeakPolarHBondContact O-CE2 3.35Å
82	G	93.5	Very high	94.6	Very high	4 Å²	4	53.4 Å²	53.4	4%	0.041	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.5	-175.8	0	0	0	0	0	114.7	V76 G79	V76-G82 WeakPolarHBondContact O-CA 3.5Å; G79-G82 PolarHBondContact O-N 3.39Å
83	Q	93.3	Very high	94.7	Very high	152 Å²	152	53.4 Å²	53.4	71%	0.71	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-12.3	-175.7	-58.3	-58.2	-49.1	0	0	114.5	R77 F81 F85	R77-Q83 PolarHBondContact O-NE2 2.61Å; F81-Q83 PolarHBondContact O-N 2.82Å; Q83-F85 VanDerWaalsContact C-N 3.29Å
84	I	95.6	Very high	94.6	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.036	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-25	178.4	74.1	172.3	0	0	0	111.6	P32 P61 F81	P32-I84 WeakPolarHBondContact O-CG2 3.29Å; P61-I84 VanDerWaalsContact CD-O 3.28Å; P61-I84 WeakPolarHBondContact CD-O 3.27Å; P61-I84 HydrophobicContact CG-CB 4.5Å; P61-I84 HydrophobicContact CG-CD1 3.37Å; P61-I84 HydrophobicContact CG-CG1 3.62Å; F81-I84 HydrophobicContact CB-CD1 4.27Å; F81-I84 HydrophobicContact CB-CG1 4.44Å; F81-I84 HydrophobicContact CD1-CD1 4.08Å; F81-I84 HydrophobicContact CD1-CG2 4.25Å; F81-I84 WeakPolarHBondContact O-CG1 3.28Å; F81-I84 PolarHBondContact O-N 2.94Å
85	F	96.5	Very high	94.4	Very high	11 Å²	11	58.5 Å²	58.5	5%	0.048	32%	0.322	C	S	.	.	S	Bend	trans	-73.5	141.8	-177.8	-62.6	-73.1	0	0	0	111.2	W21 P61 A63 L65 V76 F81 Q83 P87 F90	W21-F85 HydrophobicContact CB-CE1 4.28Å; W21-F85 HydrophobicContact CB-CZ 3.75Å; W21-F85 AromaticContact CD1-CE1 3.41Å; W21-F85 VanDerWaalsContact CD1-CE1 3.41Å; W21-F85 AromaticContact CD1-CZ 3.43Å; W21-F85 VanDerWaalsContact CD1-CZ 3.43Å; W21-F85 HydrophobicContact CD2-CE1 4.09Å; W21-F85 HydrophobicContact CD2-CZ 4.45Å; W21-F85 AromaticContact CG-CE1 3.68Å; W21-F85 HydrophobicContact CG-CE1 3.68Å; W21-F85 AromaticContact CG-CZ 3.61Å; W21-F85 HydrophobicContact CG-CZ 3.61Å; W21-F85 AromaticContact NE1-CE1 3.69Å; P61-F85 HydrophobicContact CB-CD1 3.92Å; P61-F85 HydrophobicContact CB-CE1 3.93Å; P61-F85 HydrophobicContact CG-CD1 3.96Å; P61-F85 HydrophobicContact CG-CE1 3.92Å; A63-F85 HydrophobicContact CB-CD1 3.88Å; A63-F85 HydrophobicContact CB-CE1 3.86Å; L65-F85 HydrophobicContact CD1-CB 4.47Å; L65-F85 HydrophobicContact CD1-CD1 3.86Å; L65-F85 HydrophobicContact CD1-CE1 4.36Å; L65-F85 HydrophobicContact CD1-CG 4.21Å; V76-F85 HydrophobicContact CG1-CD2 4.38Å; V76-F85 HydrophobicContact CG1-CE2 4.12Å; F81-F85 WeakPolarHBondContact O-CD2 2.73Å; F81-F85 WeakPolarHBondContact O-CE2 3.35Å; Q83-F85 VanDerWaalsContact C-N 3.29Å; F85-P87 WeakPolarHBondContact O-CD 3.43Å; F85-F90 HydrophobicContact CB-CE2 3.51Å; F85-F90 HydrophobicContact CB-CZ 3.68Å; F85-F90 HydrophobicContact CD2-CZ 4.23Å; F85-F90 HydrophobicContact CG-CE2 4.43Å; F85-F90 HydrophobicContact CG-CZ 4.17Å
86	R	95.3	Very high	94.2	Very high	98 Å²	98	55.3 Å²	55.3	37%	0.37	30%	0.301	S	S	.	.			trans	-63.6	126.2	172.9	-177.4	173.8	-72.8	-171	0.3	109.6	V60 D88 N89 F90 E123	V60-R86 HydrophobicContact CG1-CB 4.27Å; R86-D88 HydrophobicContact CG-CB 4.22Å; R86-D88 PolarHBondContact O-N 3.13Å; R86-N89 HydrophobicContact CB-CB 4.27Å; R86-N89 VanDerWaalsContact CD-OD1 3.3Å; R86-N89 WeakPolarHBondContact CD-OD1 3.34Å; R86-N89 WeakPolarHBondContact O-CB 3.36Å; R86-N89 PolarHBondContact O-N 3.21Å; R86-F90 WeakPolarHBondContact O-CD2 3.46Å; R86-E123 IonicContact NH1-OE1 2.71Å
87	P	94.9	Very high	94	Very high	83 Å²	83	54.9 Å²	54.9	54%	0.539	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-57.3	-34.3	-179.1	-28.6	36.1	0	0	0	114.2	R77 F85 N89 F90	R77-P87 PolarHBondContact NH2-O 3.11Å; F85-P87 WeakPolarHBondContact O-CD 3.43Å; P87-N89 PolarHBondContact O-N 3.24Å; P87-F90 PolarHBondContact O-N 2.9Å
88	D	95.7	Very high	93.8	Very high	126 Å²	126	54 Å²	54	67%	0.674	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-71.9	-13.1	179.3	-61.1	-21.2	0	0	0	113.3	R86 F90	R86-D88 HydrophobicContact CG-CB 4.22Å; R86-D88 PolarHBondContact O-N 3.13Å; D88-F90 VanDerWaalsContact C-N 3.32Å
89	N	97.5	Very high	93.8	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.032	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-91	0.8	-179.8	-66.3	21.4	0	0	0	113.1	A63 L65 R86 P87 V119 E123	A63-N89 WeakPolarHBondContact O-CB 3.29Å; A63-N89 PolarHBondContact O-ND2 3.27Å; L65-N89 PolarHBondContact N-O 3.02Å; R86-N89 HydrophobicContact CB-CB 4.27Å; R86-N89 VanDerWaalsContact CD-OD1 3.3Å; R86-N89 WeakPolarHBondContact CD-OD1 3.34Å; R86-N89 WeakPolarHBondContact O-CB 3.36Å; R86-N89 PolarHBondContact O-N 3.21Å; P87-N89 PolarHBondContact O-N 3.24Å; N89-V119 HydrophobicContact CB-CG1 4.1Å; N89-E123 PolarHBondContact ND2-OE1 3.07Å
90	F	97.6	Very high	94	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.066	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	111.2	168.2	-66.6	-102.2	0	0	0	108.3	L65 M73 V76 R77 F85 R86 P87 D88 F92	L65-F90 HydrophobicContact CB-CD1 4.12Å; L65-F90 HydrophobicContact CB-CE1 4.42Å; L65-F90 HydrophobicContact CD1-CE1 4.44Å; L65-F90 HydrophobicContact CD1-CZ 4.36Å; L65-F90 HydrophobicContact CD2-CD1 4.34Å; L65-F90 HydrophobicContact CD2-CE1 3.81Å; L65-F90 HydrophobicContact CD2-CZ 4.25Å; L65-F90 HydrophobicContact CG-CE1 4.47Å; M73-F90 HydrophobicContact CB-CD1 4.26Å; M73-F90 HydrophobicContact SD-CB 4.49Å; M73-F90 HydrophobicContact SD-CD1 3.77Å; V76-F90 HydrophobicContact CB-CE1 4.44Å; V76-F90 HydrophobicContact CG1-CE1 4.21Å; R77-F90 HydrophobicContact CG-CD1 4.27Å; R77-F90 HydrophobicContact CG-CE1 3.65Å; R77-F90 HydrophobicContact CG-CE2 4.43Å; R77-F90 HydrophobicContact CG-CZ 3.75Å; R77-F90 VanDerWaalsContact NH2-CB 3.32Å; F85-F90 HydrophobicContact CB-CE2 3.51Å; F85-F90 HydrophobicContact CB-CZ 3.68Å; F85-F90 HydrophobicContact CD2-CZ 4.23Å; F85-F90 HydrophobicContact CG-CE2 4.43Å; F85-F90 HydrophobicContact CG-CZ 4.17Å; R86-F90 WeakPolarHBondContact O-CD2 3.46Å; P87-F90 PolarHBondContact O-N 2.9Å; D88-F90 VanDerWaalsContact C-N 3.32Å; F90-F92 HydrophobicContact CB-CD1 4.42Å
91	V	97.7	Very high	94.2	Very high	15 Å²	15	48 Å²	48	9%	0.091	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.1	178	-175.1	0	0	0	0	107.9	L65 V66 D67 L112 A115 V116 V119	L65-V91 PolarHBondContact O-N 3.01Å; V66-V91 WeakPolarHBondContact CA-O 3.49Å; D67-V91 PolarHBondContact N-O 2.81Å; V91-L112 HydrophobicContact CG1-CD1 3.8Å; V91-L112 HydrophobicContact CG1-CD2 4.36Å; V91-L112 HydrophobicContact CG1-CG 4Å; V91-A115 HydrophobicContact CG1-CB 4.12Å; V91-V116 HydrophobicContact CB-CG2 3.97Å; V91-V116 HydrophobicContact CG1-CG2 3.58Å; V91-V119 HydrophobicContact CG2-CB 4.32Å; V91-V119 HydrophobicContact CG2-CG2 3.66Å
92	F	96.4	Very high	94.4	Very high	73 Å²	73	46.7 Å²	46.7	32%	0.32	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.8	-177.3	57.9	-87.8	0	0	0	115.1	D67 P70 M73 F90	D67-F92 CarbonylContact O-C 3.54Å; D67-F92 WeakPolarHBondContact O-CA 3.45Å; D67-F92 VanDerWaalsContact O-CB 3.31Å; D67-F92 WeakPolarHBondContact O-CB 3.34Å; P70-F92 HydrophobicContact CB-CD2 3.94Å; P70-F92 HydrophobicContact CB-CE2 4.04Å; M73-F92 HydrophobicContact CB-CD1 4.28Å; M73-F92 HydrophobicContact CG-CB 3.82Å; M73-F92 HydrophobicContact CG-CD1 3.74Å; M73-F92 HydrophobicContact CG-CG 3.91Å; F90-F92 HydrophobicContact CB-CD1 4.42Å
93	G	93.7	Very high	94.5	Very high	13 Å²	13	48.5 Å²	48.5	13%	0.134	27%	0.267	C	S	.	.			trans	-82.8	-176.4	174.9	0	0	0	0	0	113.3	D67 L68	D67-G93 PolarHBondContact O-N 2.88Å; L68-G93 CarbonylContact O-C 3.48Å; L68-G93 WeakPolarHBondContact O-CA 3.27Å
94	Q	90.8	Very high	94.7	Very high	153 Å²	153	41.3 Å²	41.3	72%	0.715	23%	0.233	S	C	*	.	S	Bend	trans	-107.8	-13.2	174.6	-62.8	-61	-47.4	0	0	113	L68	L68-Q94 PolarHBondContact O-N 3.46Å
95	S	88.3	Confident	94.8	Very high	55 Å²	55	42 Å²	42	39%	0.385	24%	0.236	S	C	.	.	S	Bend	trans	-135.8	123.5	-170.4	-66.4	0	0	0	0	109.9	L68 E108	L68-S95 WeakPolarHBondContact CB-O 3.43Å; L68-S95 CarbonylContact O-C 3.11Å; L68-S95 PolarHBondContact O-N 3.04Å; L68-S95 VanDerWaalsContact O-O 3.13Å; S95-E108 VanDerWaalsContact CB-CD 3.5Å; S95-E108 VanDerWaalsContact CB-OE1 3.25Å; S95-E108 WeakPolarHBondContact CB-OE1 3.23Å; S95-E108 WeakPolarHBondContact CB-OE2 3.42Å
96	G	88.6	Confident	94.9	Very high	10 Å²	10	45.6 Å²	45.6	10%	0.103	25%	0.25	C	S	.	.			trans	-70.4	161.9	179.9	0	0	0	0	0	114.6	E69 G98 K103	E69-G96 VanDerWaalsContact CG-N 3.34Å; G96-G98 PolarHBondContact O-N 3.23Å; G96-K103 PolarHBondContact O-NZ 3.32Å
97	A	90.3	Very high	94.9	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	24%	0.243	C	C	.	.			trans	-74.4	-8.5	172.4	0	0	0	0	0	113.8	L68 N99 N100 K103 G142	L68-A97 HydrophobicContact CD1-CB 3.69Å; A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 2.95Å; A97-N100 WeakPolarHBondContact O-CB 3.49Å; A97-N100 PolarHBondContact O-N 2.89Å; A97-K103 HydrophobicContact CB-CB 4.46Å; A97-G142 VanDerWaalsContact CB-C 3.5Å
98	G	90.6	Very high	94.9	Very high	70 Å²	70	40.5 Å²	40.5	72%	0.722	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	38.3	176.8	0	0	0	0	0	114.3	G96 N100	G96-G98 PolarHBondContact O-N 3.23Å; G98-N100 PolarHBondContact O-N 3.5Å
99	N	93	Very high	94.9	Very high	73 Å²	73	34.5 Å²	34.5	39%	0.39	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	19.9	-173.6	-64.3	-31.8	0	0	0	115.6	A97 T178 V180 N184	A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 2.95Å; N99-T178 HydrophobicContact CB-CG2 3.73Å; N99-T178 PolarHBondContact ND2-OG1 2.74Å; N99-V180 HydrophobicContact CB-CG2 4.43Å; N99-V180 WeakPolarHBondContact O-CG2 3.39Å; N99-N184 PolarHBondContact O-ND2 3.29Å
100	N	96.5	Very high	94.9	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.064	21%	0.208	C	C	.	.			trans	-107	118.4	179	-175.2	-16.5	0	0	0	110.8	A97 G98 A102 K103 G104 W397 Y398	A97-N100 WeakPolarHBondContact O-CB 3.49Å; A97-N100 PolarHBondContact O-N 2.89Å; G98-N100 PolarHBondContact O-N 3.5Å; N100-A102 PolarHBondContact O-N 3.2Å; N100-A102 WeakPolarHBondContact OD1-CB 3.27Å; N100-A102 PolarHBondContact OD1-N 3.05Å; N100-K103 HydrophobicContact CB-CB 3.9Å; N100-K103 PolarHBondContact O-N 2.89Å; N100-K103 PolarHBondContact OD1-N 3.06Å; N100-G104 PolarHBondContact O-N 3.04Å; N100-G104 VanDerWaalsContact O-N 3.1Å; N100-W397 PolarHBondContact ND2-O 2.6Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.31Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.17Å
101	W	98	Very high	94.8	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-44.3	176.4	-178.5	102.6	0	0	0	112.1	K103 G104 H105 Y106 S145 G146 T149 N184 L187 Q191 Y398 M403	W101-K103 VanDerWaalsContact C-N 3.26Å; W101-K103 PolarHBondContact O-N 2.73Å; W101-G104 CarbonylContact O-C 3.57Å; W101-G104 WeakPolarHBondContact O-CA 3.42Å; W101-G104 PolarHBondContact O-N 3.1Å; W101-H105 HydrophobicContact CD2-CB 4.26Å; W101-H105 HydrophobicContact CE3-CB 3.99Å; W101-H105 HydrophobicContact CH2-CB 3.84Å; W101-H105 AromaticContact CH2-CD2 3.77Å; W101-H105 AromaticContact CH2-CE1 3.89Å; W101-H105 AromaticContact CH2-CG 3.43Å; W101-H105 VanDerWaalsContact CH2-CG 3.43Å; W101-H105 AromaticContact CH2-ND1 3.52Å; W101-H105 HydrophobicContact CZ2-CB 4.12Å; W101-H105 AromaticContact CZ2-CE1 3.97Å; W101-H105 AromaticContact CZ2-CG 3.76Å; W101-H105 AromaticContact CZ2-ND1 3.43Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.41Å; W101-H105 HydrophobicContact CZ3-CB 3.79Å; W101-H105 AromaticContact CZ3-CG 3.85Å; W101-H105 WeakPolarHBondContact O-CB 3.3Å; W101-H105 PolarHBondContact O-N 2.67Å; W101-Y106 HydrophobicContact CH2-CE2 4.44Å; W101-Y106 HydrophobicContact CZ3-CD2 4.39Å; W101-Y106 AromaticContact CZ3-CE2 3.78Å; W101-Y106 HydrophobicContact CZ3-CE2 3.78Å; W101-S145 PolarHBondContact NE1-O 3.42Å; W101-G146 VanDerWaalsContact CD1-CA 3.43Å; W101-G146 VanDerWaalsContact CD1-N 3.27Å; W101-G146 WeakPolarHBondContact O-CA 3.42Å; W101-T149 PolarHBondContact NE1-OG1 3.01Å; W101-N184 HydrophobicContact CB-CB 4.19Å; W101-N184 WeakPolarHBondContact CB-OD1 3.49Å; W101-N184 PolarHBondContact N-OD1 3.26Å; W101-L187 HydrophobicContact CB-CD1 4.27Å; W101-L187 HydrophobicContact CD2-CB 3.82Å; W101-L187 HydrophobicContact CD2-CD1 3.86Å; W101-L187 HydrophobicContact CD2-CG 4.46Å; W101-L187 HydrophobicContact CE3-CB 4.26Å; W101-L187 HydrophobicContact CE3-CD1 3.68Å; W101-L187 HydrophobicContact CE3-CG 4.49Å; W101-L187 HydrophobicContact CG-CB 4.09Å; W101-L187 HydrophobicContact CG-CD1 4.1Å; W101-L187 HydrophobicContact CZ2-CB 4.24Å; W101-L187 HydrophobicContact CZ3-CD1 4.34Å; W101-Q191 HydrophobicContact CZ2-CG 4.19Å; W101-Y398 HydrophobicContact CB-CE1 3.98Å; W101-M403 HydrophobicContact CE3-SD 4.16Å; W101-M403 HydrophobicContact CZ3-CE 4.41Å; W101-M403 HydrophobicContact CZ3-SD 4.11Å
102	A	98	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-35.9	-179	0	0	0	0	0	111.4	N100 H105 Y106 Y398 E401 M403	N100-A102 PolarHBondContact O-N 3.2Å; N100-A102 WeakPolarHBondContact OD1-CB 3.27Å; N100-A102 PolarHBondContact OD1-N 3.05Å; A102-H105 PolarHBondContact O-N 3.17Å; A102-Y106 HydrophobicContact CB-CD2 4.17Å; A102-Y106 WeakPolarHBondContact O-CB 3.18Å; A102-Y106 PolarHBondContact O-N 3.39Å; A102-Y398 HydrophobicContact CB-CD1 3.82Å; A102-Y398 HydrophobicContact CB-CG 4.28Å; A102-E401 HydrophobicContact CB-CB 3.92Å; A102-E401 HydrophobicContact CB-CG 4.34Å; A102-M403 HydrophobicContact CB-CB 4.01Å; A102-M403 HydrophobicContact CB-SD 3.97Å
103	K	97.2	Very high	94.8	Very high	43 Å²	43	40.6 Å²	40.6	19%	0.187	23%	0.23	C	C	.	.	I	π-helix	trans	-66.5	-41.1	174.3	-160.8	175.9	-169.7	-128.3	0	111.9	G96 A97 N100 W101 H105 T107 E108 E401	G96-K103 PolarHBondContact O-NZ 3.32Å; A97-K103 HydrophobicContact CB-CB 4.46Å; N100-K103 HydrophobicContact CB-CB 3.9Å; N100-K103 PolarHBondContact O-N 2.89Å; N100-K103 PolarHBondContact OD1-N 3.06Å; W101-K103 VanDerWaalsContact C-N 3.26Å; W101-K103 PolarHBondContact O-N 2.73Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.4Å; K103-T107 VanDerWaalsContact CA-OG1 3.26Å; K103-T107 WeakPolarHBondContact CA-OG1 3.42Å; K103-T107 WeakPolarHBondContact CG-OG1 2.93Å; K103-T107 PolarHBondContact O-N 3.34Å; K103-T107 PolarHBondContact O-OG1 3.16Å; K103-E108 HydrophobicContact CD-CG 4.15Å; K103-E108 WeakPolarHBondContact CE-OE1 3.25Å; K103-E108 HydrophobicContact CG-CG 3.84Å; K103-E108 IonicContact NZ-OE1 3.24Å; K103-E108 PolarHBondContact NZ-OE1 3.05Å; K103-E108 PolarHBondContact O-N 3.45Å; K103-E401 HydrophobicContact CB-CG 4.08Å
104	G	97.2	Very high	95	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	I	π-helix	trans	-67	-23	173.3	0	0	0	0	0	113.9	N100 W101 G109 G146 M147	N100-G104 PolarHBondContact O-N 3.04Å; N100-G104 VanDerWaalsContact O-N 3.1Å; W101-G104 CarbonylContact O-C 3.57Å; W101-G104 WeakPolarHBondContact O-CA 3.42Å; W101-G104 PolarHBondContact O-N 3.1Å; G104-G109 VanDerWaalsContact O-CA 3.24Å; G104-G109 WeakPolarHBondContact O-CA 3.26Å; G104-G146 CarbonylContact O-C 3.32Å; G104-M147 WeakPolarHBondContact O-CA 3.43Å; G104-M147 VanDerWaalsContact O-CB 3.31Å; G104-M147 WeakPolarHBondContact O-CB 3.4Å; G104-M147 PolarHBondContact O-N 3.17Å; G104-M147 VanDerWaalsContact O-N 3.09Å
105	H	98	Very high	95.3	Very high	21 Å²	21	40.1 Å²	40.1	10%	0.097	24%	0.236	C	C	.	.	I	π-helix	trans	-102.7	-47.3	-174.2	-165.9	93.5	0	0	0	113.3	W101 A102 K103 G146 L150	W101-H105 HydrophobicContact CD2-CB 4.26Å; W101-H105 HydrophobicContact CE3-CB 3.99Å; W101-H105 HydrophobicContact CH2-CB 3.84Å; W101-H105 AromaticContact CH2-CD2 3.77Å; W101-H105 AromaticContact CH2-CE1 3.89Å; W101-H105 AromaticContact CH2-CG 3.43Å; W101-H105 VanDerWaalsContact CH2-CG 3.43Å; W101-H105 AromaticContact CH2-ND1 3.52Å; W101-H105 HydrophobicContact CZ2-CB 4.12Å; W101-H105 AromaticContact CZ2-CE1 3.97Å; W101-H105 AromaticContact CZ2-CG 3.76Å; W101-H105 AromaticContact CZ2-ND1 3.43Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.41Å; W101-H105 HydrophobicContact CZ3-CB 3.79Å; W101-H105 AromaticContact CZ3-CG 3.85Å; W101-H105 WeakPolarHBondContact O-CB 3.3Å; W101-H105 PolarHBondContact O-N 2.67Å; A102-H105 PolarHBondContact O-N 3.17Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.4Å; H105-G146 PolarHBondContact ND1-O 2.84Å; H105-L150 WeakPolarHBondContact O-CD2 3.44Å
106	Y	97.2	Very high	95.8	Very high	87 Å²	87	37.5 Å²	37.5	34%	0.341	22%	0.218	S	C	.	.	I	π-helix	trans	-99.2	-18.3	-170.5	-69.3	-62.6	0	0	0	114.7	W101 A102 M403 E407	W101-Y106 HydrophobicContact CH2-CE2 4.44Å; W101-Y106 HydrophobicContact CZ3-CD2 4.39Å; W101-Y106 AromaticContact CZ3-CE2 3.78Å; W101-Y106 HydrophobicContact CZ3-CE2 3.78Å; A102-Y106 HydrophobicContact CB-CD2 4.17Å; A102-Y106 WeakPolarHBondContact O-CB 3.18Å; A102-Y106 PolarHBondContact O-N 3.39Å; Y106-M403 HydrophobicContact CD2-CB 3.91Å; Y106-M403 HydrophobicContact CD2-CG 4.42Å; Y106-M403 HydrophobicContact CE2-CB 3.71Å; Y106-M403 HydrophobicContact CE2-CG 3.76Å; Y106-M403 HydrophobicContact CE2-SD 4.44Å; Y106-E407 PolarHBondContact OH-OE1 3.22Å; Y106-E407 PolarHBondContact OH-OE2 3.36Å
107	T	96.1	Very high	96.3	Very high	34 Å²	34	37.3 Å²	37.3	21%	0.209	21%	0.214	C	C	.	.	I	π-helix	trans	-122.9	-94.6	-174.2	57.6	0	0	0	0	111.6	K103 G109 A110 E111 E401	K103-T107 VanDerWaalsContact CA-OG1 3.26Å; K103-T107 WeakPolarHBondContact CA-OG1 3.42Å; K103-T107 WeakPolarHBondContact CG-OG1 2.93Å; K103-T107 PolarHBondContact O-N 3.34Å; K103-T107 PolarHBondContact O-OG1 3.16Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 3.27Å; T107-A110 WeakPolarHBondContact O-CB 3.25Å; T107-A110 PolarHBondContact O-N 3.26Å; T107-E111 PolarHBondContact O-N 2.76Å; T107-E401 HydrophobicContact CG2-CB 4.23Å; T107-E401 VanDerWaalsContact CG2-OE2 3.27Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.48Å; T107-E401 PolarHBondContact OG1-OE2 3.43Å
108	E	95.7	Very high	96.7	Very high	41 Å²	41	41 Å²	41	19%	0.192	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-39.7	-173	-57.6	-73.6	-178.3	0	0	112.3	L68 S95 K103 L112	L68-E108 HydrophobicContact CD1-CB 3.91Å; L68-E108 HydrophobicContact CD2-CB 4.01Å; L68-E108 HydrophobicContact CG-CB 4.47Å; S95-E108 VanDerWaalsContact CB-CD 3.5Å; S95-E108 VanDerWaalsContact CB-OE1 3.25Å; S95-E108 WeakPolarHBondContact CB-OE1 3.23Å; S95-E108 WeakPolarHBondContact CB-OE2 3.42Å; K103-E108 HydrophobicContact CD-CG 4.15Å; K103-E108 WeakPolarHBondContact CE-OE1 3.25Å; K103-E108 HydrophobicContact CG-CG 3.84Å; K103-E108 IonicContact NZ-OE1 3.24Å; K103-E108 PolarHBondContact NZ-OE1 3.05Å; K103-E108 PolarHBondContact O-N 3.45Å; E108-L112 PolarHBondContact O-N 2.87Å
109	G	95.7	Very high	97	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-73.3	-36.8	176	0	0	0	0	0	113.6	G104 T107 E111 L112 V113 M147	G104-G109 VanDerWaalsContact O-CA 3.24Å; G104-G109 WeakPolarHBondContact O-CA 3.26Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 3.27Å; G109-E111 PolarHBondContact O-N 2.91Å; G109-L112 PolarHBondContact O-N 3.32Å; G109-L112 VanDerWaalsContact O-N 3.1Å; G109-V113 WeakPolarHBondContact O-CB 3.42Å; G109-V113 PolarHBondContact O-N 3.49Å; G109-M147 WeakPolarHBondContact CA-SD 3.22Å; G109-M147 VanDerWaalsContact O-SD 3.36Å
110	A	95.8	Very high	97.3	Very high	41 Å²	41	34.8 Å²	34.8	34%	0.339	19%	0.185	S	C	.	.	H	α-helix	trans	-63	-32.5	174.9	0	0	0	0	0	112.2	T107 V113	T107-A110 WeakPolarHBondContact O-CB 3.25Å; T107-A110 PolarHBondContact O-N 3.26Å; A110-V113 WeakPolarHBondContact O-CG1 3.41Å
111	E	95.9	Very high	97.4	Very high	161 Å²	161	37.6 Å²	37.6	75%	0.752	19%	0.194	S	C	*	.	H	α-helix	trans	-71.4	-30.5	174.1	-69	-174.1	-177.7	0	0	112.9	T107 G109	T107-E111 PolarHBondContact O-N 2.76Å; G109-E111 PolarHBondContact O-N 2.91Å
112	L	96.6	Very high	97.4	Very high	24 Å²	24	43.8 Å²	43.8	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-93.2	-21.5	-175.8	-165.5	65	0	0	0	113.6	V66 L68 V91 E108 G109 D114 A115 V116 M147	V66-L112 HydrophobicContact CG1-CD2 4.31Å; L68-L112 HydrophobicContact CD2-CB 4.32Å; L68-L112 HydrophobicContact CD2-CD2 3.85Å; V91-L112 HydrophobicContact CG1-CD1 3.8Å; V91-L112 HydrophobicContact CG1-CD2 4.36Å; V91-L112 HydrophobicContact CG1-CG 4Å; E108-L112 PolarHBondContact O-N 2.87Å; G109-L112 PolarHBondContact O-N 3.32Å; G109-L112 VanDerWaalsContact O-N 3.1Å; L112-D114 PolarHBondContact O-N 3.06Å; L112-A115 WeakPolarHBondContact O-CB 3.29Å; L112-A115 PolarHBondContact O-N 3.33Å; L112-A115 VanDerWaalsContact O-N 3.16Å; L112-V116 HydrophobicContact CG-CG2 4.22Å; L112-V116 PolarHBondContact O-N 3.49Å; L112-M147 HydrophobicContact CB-CE 4.44Å
113	V	97.6	Very high	97.3	Very high	10 Å²	10	44 Å²	44	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-42.7	-167.8	72	0	0	0	0	113.9	G109 A110 A115 V116 L117 M147 L150 L151 K154	G109-V113 WeakPolarHBondContact O-CB 3.42Å; G109-V113 PolarHBondContact O-N 3.49Å; A110-V113 WeakPolarHBondContact O-CG1 3.41Å; V113-A115 VanDerWaalsContact C-N 3.31Å; V113-A115 PolarHBondContact O-N 3.41Å; V113-V116 WeakPolarHBondContact O-CB 3.22Å; V113-V116 PolarHBondContact O-N 2.92Å; V113-V116 VanDerWaalsContact O-N 3.11Å; V113-L117 HydrophobicContact CG2-CD1 4.11Å; V113-L117 HydrophobicContact CG2-CG 4.28Å; V113-L117 WeakPolarHBondContact O-CG 3.22Å; V113-L117 PolarHBondContact O-N 3.15Å; V113-M147 HydrophobicContact CB-CE 3.92Å; V113-M147 HydrophobicContact CB-SD 4.42Å; V113-M147 HydrophobicContact CG2-CE 4.16Å; V113-L150 HydrophobicContact CB-CD2 3.98Å; V113-L150 HydrophobicContact CG1-CD2 4.33Å; V113-L150 HydrophobicContact CG2-CD2 4.03Å; V113-L150 HydrophobicContact CG2-CG 4.08Å; V113-L151 HydrophobicContact CG2-CD2 3.91Å; V113-K154 HydrophobicContact CG2-CG 4.13Å
114	D	97.8	Very high	97.3	Very high	111 Å²	111	42.3 Å²	42.3	59%	0.594	22%	0.217	S	C	*	.	H	α-helix	trans	-62.9	-39.7	-178.9	-70.1	-23.8	0	0	0	111.7	L112 V116 L117 D118	L112-D114 PolarHBondContact O-N 3.06Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 2.61Å; D114-L117 PolarHBondContact O-N 2.95Å; D114-D118 PolarHBondContact O-N 3.15Å
115	A	97.9	Very high	97.3	Very high	46 Å²	46	49.3 Å²	49.3	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-35.9	176.7	0	0	0	0	0	111.9	V91 L112 V113 V119	V91-A115 HydrophobicContact CG1-CB 4.12Å; L112-A115 WeakPolarHBondContact O-CB 3.29Å; L112-A115 PolarHBondContact O-N 3.33Å; L112-A115 VanDerWaalsContact O-N 3.16Å; V113-A115 VanDerWaalsContact C-N 3.31Å; V113-A115 PolarHBondContact O-N 3.41Å; A115-V119 PolarHBondContact O-N 3.02Å
116	V	98.3	Very high	97.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-46.8	174.3	-179.2	0	0	0	0	110.4	V64 V66 V91 L112 V113 D114 D118 V119 V120 M147 L151	V64-V116 HydrophobicContact CG1-CG1 4.18Å; V66-V116 HydrophobicContact CG1-CG2 3.72Å; V66-V116 HydrophobicContact CG2-CB 4.44Å; V66-V116 HydrophobicContact CG2-CG1 3.57Å; V66-V116 HydrophobicContact CG2-CG2 3.93Å; V91-V116 HydrophobicContact CB-CG2 3.97Å; V91-V116 HydrophobicContact CG1-CG2 3.58Å; L112-V116 HydrophobicContact CG-CG2 4.22Å; L112-V116 PolarHBondContact O-N 3.49Å; V113-V116 WeakPolarHBondContact O-CB 3.22Å; V113-V116 PolarHBondContact O-N 2.92Å; V113-V116 VanDerWaalsContact O-N 3.11Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 2.61Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 3.14Å; V116-V119 WeakPolarHBondContact O-CB 3.49Å; V116-V119 PolarHBondContact O-N 3.44Å; V116-V120 HydrophobicContact CG1-CG2 4.15Å; V116-V120 WeakPolarHBondContact O-CG2 3.37Å; V116-V120 PolarHBondContact O-N 2.91Å; V116-M147 HydrophobicContact CB-CE 4.49Å; V116-M147 HydrophobicContact CG2-CE 3.89Å; V116-L151 HydrophobicContact CB-CD2 3.85Å; V116-L151 HydrophobicContact CG1-CD1 4.17Å; V116-L151 HydrophobicContact CG1-CD2 3.49Å; V116-L151 VanDerWaalsContact CG1-CD2 3.49Å; V116-L151 HydrophobicContact CG1-CG 4.5Å; V116-L151 HydrophobicContact CG2-CD2 4.5Å
117	L	98.5	Very high	97.1	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-37	179.6	-69.9	171.8	0	0	0	111.8	V113 D114 V119 V120 R121 K154 I155	V113-L117 HydrophobicContact CG2-CD1 4.11Å; V113-L117 HydrophobicContact CG2-CG 4.28Å; V113-L117 WeakPolarHBondContact O-CG 3.22Å; V113-L117 PolarHBondContact O-N 3.15Å; D114-L117 PolarHBondContact O-N 2.95Å; L117-V119 VanDerWaalsContact C-N 3.31Å; L117-V119 PolarHBondContact O-N 3.38Å; L117-V120 PolarHBondContact O-N 2.84Å; L117-R121 VanDerWaalsContact O-CB 3.28Å; L117-R121 WeakPolarHBondContact O-CB 3.44Å; L117-R121 PolarHBondContact O-N 3.48Å; L117-K154 HydrophobicContact CD1-CB 3.87Å; L117-K154 HydrophobicContact CD1-CD 4.48Å; L117-K154 HydrophobicContact CD1-CG 4.34Å; L117-K154 HydrophobicContact CD2-CB 3.98Å; L117-K154 HydrophobicContact CG-CB 4.46Å; L117-I155 HydrophobicContact CD2-CG1 3.86Å
118	D	98.4	Very high	97	Very high	80 Å²	80	51.9 Å²	51.9	43%	0.428	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-38.5	173.5	-81.1	-9.8	0	0	0	113.1	D114 V116 R121 K122	D114-D118 PolarHBondContact O-N 3.15Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 3.14Å; D118-R121 IonicContact OD1-CZ 2.81Å; D118-R121 IonicContact OD1-NH1 3.96Å; D118-R121 PolarHBondContact OD1-NH1 3.37Å; D118-K122 WeakPolarHBondContact O-CD 2.8Å; D118-K122 VanDerWaalsContact O-CG 3.27Å; D118-K122 WeakPolarHBondContact O-CG 3.33Å; D118-K122 PolarHBondContact O-N 3.02Å
119	V	98.4	Very high	96.9	Very high	12 Å²	12	53.3 Å²	53.3	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-71.9	-44.6	175	176.6	0	0	0	0	110.7	V64 N89 V91 A115 V116 L117 R121 K122 E123	V64-V119 HydrophobicContact CB-CG1 4.48Å; V64-V119 HydrophobicContact CG1-CB 4.36Å; V64-V119 HydrophobicContact CG1-CG1 3.92Å; V64-V119 HydrophobicContact CG2-CG1 3.86Å; N89-V119 HydrophobicContact CB-CG1 4.1Å; V91-V119 HydrophobicContact CG2-CB 4.32Å; V91-V119 HydrophobicContact CG2-CG2 3.66Å; A115-V119 PolarHBondContact O-N 3.02Å; V116-V119 WeakPolarHBondContact O-CB 3.49Å; V116-V119 PolarHBondContact O-N 3.44Å; L117-V119 VanDerWaalsContact C-N 3.31Å; L117-V119 PolarHBondContact O-N 3.38Å; V119-R121 VanDerWaalsContact C-N 3.27Å; V119-R121 PolarHBondContact O-N 3.42Å; V119-K122 PolarHBondContact O-N 3.2Å; V119-E123 PolarHBondContact O-N 2.84Å
120	V	98.5	Very high	97	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-43.5	176.9	173.7	0	0	0	0	110.7	L7 V64 V116 L117 E123 A124 F133 I155	L7-V120 HydrophobicContact CD2-CG2 3.73Å; L7-V120 HydrophobicContact CG-CG2 4.43Å; V64-V120 HydrophobicContact CG1-CG2 4.33Å; V64-V120 HydrophobicContact CG2-CG2 4.14Å; V116-V120 HydrophobicContact CG1-CG2 4.15Å; V116-V120 WeakPolarHBondContact O-CG2 3.37Å; V116-V120 PolarHBondContact O-N 2.91Å; L117-V120 PolarHBondContact O-N 2.84Å; V120-E123 PolarHBondContact O-N 3.29Å; V120-A124 VanDerWaalsContact O-CB 3.27Å; V120-A124 WeakPolarHBondContact O-CB 3.27Å; V120-A124 PolarHBondContact O-N 3.2Å; V120-F133 HydrophobicContact CG1-CD1 4.11Å; V120-F133 HydrophobicContact CG1-CE1 3.48Å; V120-F133 VanDerWaalsContact CG1-CE1 3.48Å; V120-F133 HydrophobicContact CG1-CZ 4.22Å; V120-I155 HydrophobicContact CG1-CD1 4.24Å; V120-I155 HydrophobicContact CG1-CG1 4.29Å; V120-I155 HydrophobicContact CG2-CD1 4.44Å
121	R	98.2	Very high	96.9	Very high	71 Å²	71	53 Å²	53	27%	0.268	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-44.4	177.9	-164.4	176.3	-52	107.1	2.4	111.8	L117 D118 V119 E123 A124 E125 E158	L117-R121 VanDerWaalsContact O-CB 3.28Å; L117-R121 WeakPolarHBondContact O-CB 3.44Å; L117-R121 PolarHBondContact O-N 3.48Å; D118-R121 IonicContact OD1-CZ 2.81Å; D118-R121 IonicContact OD1-NH1 3.96Å; D118-R121 PolarHBondContact OD1-NH1 3.37Å; V119-R121 VanDerWaalsContact C-N 3.27Å; V119-R121 PolarHBondContact O-N 3.42Å; R121-E123 PolarHBondContact O-N 3.4Å; R121-A124 PolarHBondContact O-N 2.72Å; R121-E125 HydrophobicContact CG-CG 4.44Å; R121-E125 WeakPolarHBondContact O-CB 3.48Å; R121-E125 VanDerWaalsContact O-CG 3.25Å; R121-E125 WeakPolarHBondContact O-CG 3.4Å; R121-E125 PolarHBondContact O-N 3.31Å; R121-E158 IonicContact CZ-OE1 2.74Å; R121-E158 IonicContact CZ-OE2 3.91Å; R121-E158 IonicContact NE-OE2 3.84Å; R121-E158 PolarHBondContact NE-OE2 2.83Å; R121-E158 VanDerWaalsContact NE-OE2 3.07Å; R121-E158 VanDerWaalsContact NH2-CD 3.29Å; R121-E158 IonicContact NH2-OE1 2.77Å; R121-E158 PolarHBondContact NH2-OE1 2.83Å; R121-E158 IonicContact NH2-OE2 2.79Å; R121-E158 PolarHBondContact NH2-OE2 3.45Å
122	K	97.8	Very high	97	Very high	132 Å²	132	45.3 Å²	45.3	57%	0.574	24%	0.242	S	C	*	.	H	α-helix	trans	-60.3	-43.2	175	-72.3	167.4	-172.8	168.9	0	112.3	D118 V119 S126	D118-K122 WeakPolarHBondContact O-CD 2.8Å; D118-K122 VanDerWaalsContact O-CG 3.27Å; D118-K122 WeakPolarHBondContact O-CG 3.33Å; D118-K122 PolarHBondContact O-N 3.02Å; V119-K122 PolarHBondContact O-N 3.2Å; K122-S126 WeakPolarHBondContact O-CB 3.48Å; K122-S126 PolarHBondContact O-N 3.49Å; K122-S126 VanDerWaalsContact O-N 3.12Å
123	E	97.6	Very high	97.1	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-41.7	177.2	-71.5	-60.6	139.8	0	0	111.6	V5 V64 R86 N89 V119 V120 R121 S126 C127	V5-E123 HydrophobicContact CG1-CB 4.07Å; V5-E123 HydrophobicContact CG2-CB 3.97Å; V64-E123 HydrophobicContact CG2-CG 4.19Å; R86-E123 IonicContact NH1-OE1 2.71Å; N89-E123 PolarHBondContact ND2-OE1 3.07Å; V119-E123 PolarHBondContact O-N 2.84Å; V120-E123 PolarHBondContact O-N 3.29Å; R121-E123 PolarHBondContact O-N 3.4Å; E123-S126 PolarHBondContact O-N 3.31Å; E123-S126 PolarHBondContact O-OG 2.98Å; E123-C127 PolarHBondContact O-SG 3.07Å
124	A	97.1	Very high	97.1	Very high	9 Å²	9	43.8 Å²	43.8	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-45	175.9	0	0	0	0	0	112.5	V120 R121 S126 C127 L130 F133 F159	V120-A124 VanDerWaalsContact O-CB 3.27Å; V120-A124 WeakPolarHBondContact O-CB 3.27Å; V120-A124 PolarHBondContact O-N 3.2Å; R121-A124 PolarHBondContact O-N 2.72Å; A124-S126 PolarHBondContact O-N 3.26Å; A124-C127 VanDerWaalsContact O-CB 3.3Å; A124-C127 WeakPolarHBondContact O-CB 3.35Å; A124-C127 PolarHBondContact O-N 3.07Å; A124-C127 VanDerWaalsContact O-N 3.13Å; A124-L130 HydrophobicContact CB-CD2 3.82Å; A124-F133 HydrophobicContact CB-CE1 4.5Å; A124-F133 HydrophobicContact CB-CZ 4.41Å; A124-F159 HydrophobicContact CB-CE1 3.96Å; A124-F159 HydrophobicContact CB-CZ 3.85Å
125	E	96.4	Very high	97.1	Very high	146 Å²	146	38.7 Å²	38.7	68%	0.682	21%	0.207	S	C	*	.	H	α-helix	trans	-66.4	-24.6	176.3	-73.2	172.9	176.7	0	0	112.6	R121 C127	R121-E125 HydrophobicContact CG-CG 4.44Å; R121-E125 WeakPolarHBondContact O-CB 3.48Å; R121-E125 VanDerWaalsContact O-CG 3.25Å; R121-E125 WeakPolarHBondContact O-CG 3.4Å; R121-E125 PolarHBondContact O-N 3.31Å; E125-C127 PolarHBondContact O-N 3.09Å
126	S	94.9	Very high	97.2	Very high	41 Å²	41	36.5 Å²	36.5	29%	0.287	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-0	174.4	83.6	0	0	0	0	114.1	R62 K122 E123 A124	R62-S126 PolarHBondContact NH1-O 3.39Å; R62-S126 VanDerWaalsContact NH1-O 3.11Å; R62-S126 PolarHBondContact NH1-OG 3.09Å; R62-S126 VanDerWaalsContact NH1-OG 3.12Å; K122-S126 WeakPolarHBondContact O-CB 3.48Å; K122-S126 PolarHBondContact O-N 3.49Å; K122-S126 VanDerWaalsContact O-N 3.12Å; E123-S126 PolarHBondContact O-N 3.31Å; E123-S126 PolarHBondContact O-OG 2.98Å; A124-S126 PolarHBondContact O-N 3.26Å
127	C	96	Very high	97.2	Very high	16 Å²	16	36.5 Å²	36.5	11%	0.108	19%	0.189	C	C	.	.			trans	-93.3	137.1	176	-61.9	0	0	0	0	110.5	E3 E123 A124 E125 L130	E3-C127 HydrophobicContact CB-CB 3.91Å; E3-C127 HydrophobicContact CG-CB 4.35Å; E123-C127 PolarHBondContact O-SG 3.07Å; A124-C127 VanDerWaalsContact O-CB 3.3Å; A124-C127 WeakPolarHBondContact O-CB 3.35Å; A124-C127 PolarHBondContact O-N 3.07Å; A124-C127 VanDerWaalsContact O-N 3.13Å; E125-C127 PolarHBondContact O-N 3.09Å; C127-L130 HydrophobicContact CB-CB 4.02Å
128	D	94.4	Very high	97.1	Very high	140 Å²	140	36.9 Å²	36.9	75%	0.749	19%	0.192	S	C	*	.	S	Bend	trans	-70.7	-38.9	175.5	-67.6	-32.9	0	0	0	111.7	E3	E3-D128 PolarHBondContact OE2-N 3.47Å
129	C	93.9	Very high	97	Very high	71 Å²	71	33.2 Å²	33.2	48%	0.48	17%	0.172	S	C	.	.	S	Bend	trans	-151.2	87.1	172	172	0	0	0	0	109.9	M1 R2 E3 Q131	M1-C129 WeakPolarHBondContact O-CB 3.31Å; R2-C129 CarbonylContact C-O 3.48Å; R2-C129 WeakPolarHBondContact CA-O 3.37Å; E3-C129 PolarHBondContact N-O 3.05Å; E3-C129 WeakPolarHBondContact OE2-CA 3.36Å; E3-C129 PolarHBondContact OE2-N 3.15Å; E3-C129 VanDerWaalsContact OE2-O 3.05Å; C129-Q131 PolarHBondContact O-N 2.91Å
130	L	96.4	Very high	96.8	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	124.4	173	180	68.9	0	0	0	111.4	V5 A124 C127 G132 F133 F159 R162	V5-L130 HydrophobicContact CG2-CD1 3.92Å; A124-L130 HydrophobicContact CB-CD2 3.82Å; C127-L130 HydrophobicContact CB-CB 4.02Å; L130-G132 WeakPolarHBondContact CD1-O 3.5Å; L130-F133 HydrophobicContact CD2-CE1 4.36Å; L130-F133 HydrophobicContact CD2-CE2 4.04Å; L130-F133 HydrophobicContact CD2-CZ 3.69Å; L130-F159 HydrophobicContact CD2-CD1 4.3Å; L130-F159 HydrophobicContact CD2-CE1 4.44Å; L130-R162 HydrophobicContact CD2-CG 4.16Å; L130-R162 WeakPolarHBondContact O-CD 3.12Å; L130-R162 PolarHBondContact O-NE 2.96Å
131	Q	95	Very high	96.5	Very high	18 Å²	18	33.5 Å²	33.5	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-38.8	171.3	-60.6	-171.8	58.8	0	0	112.9	R2 E3 I4 C129 I163	R2-Q131 VanDerWaalsContact C-NE2 3.34Å; R2-Q131 VanDerWaalsContact CB-CD 3.42Å; R2-Q131 HydrophobicContact CB-CG 3.44Å; R2-Q131 VanDerWaalsContact CB-CG 3.44Å; R2-Q131 HydrophobicContact CG-CG 4.18Å; R2-Q131 PolarHBondContact O-NE2 2.77Å; E3-Q131 PolarHBondContact O-N 3.22Å; I4-Q131 HydrophobicContact CG1-CB 4.4Å; C129-Q131 PolarHBondContact O-N 2.91Å; Q131-I163 PolarHBondContact O-N 2.99Å; Q131-I163 VanDerWaalsContact O-N 3.07Å
132	G	97.1	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-179.4	-161.2	0	0	0	0	0	114.3	V5 L130 I163	V5-G132 PolarHBondContact N-O 3.39Å; L130-G132 WeakPolarHBondContact CD1-O 3.5Å; G132-I163 CarbonylContact C-O 3.58Å; G132-I163 WeakPolarHBondContact CA-O 3.46Å
133	F	98.4	Very high	96.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.2	-178.4	-58.6	-85.8	0	0	0	109.4	V5 L7 V120 A124 L130 I155 F159 R162 I163 M164 N165	V5-F133 HydrophobicContact CB-CD1 3.8Å; V5-F133 HydrophobicContact CB-CE1 4.04Å; V5-F133 HydrophobicContact CG1-CD1 4.23Å; V5-F133 HydrophobicContact CG1-CE1 4.45Å; V5-F133 HydrophobicContact CG2-CE1 4.36Å; V5-F133 WeakPolarHBondContact O-CA 3.21Å; L7-F133 HydrophobicContact CD1-CB 4.11Å; L7-F133 HydrophobicContact CD1-CD1 3.89Å; L7-F133 HydrophobicContact CD1-CG 4.46Å; V120-F133 HydrophobicContact CG1-CD1 4.11Å; V120-F133 HydrophobicContact CG1-CE1 3.48Å; V120-F133 VanDerWaalsContact CG1-CE1 3.48Å; V120-F133 HydrophobicContact CG1-CZ 4.22Å; A124-F133 HydrophobicContact CB-CE1 4.5Å; A124-F133 HydrophobicContact CB-CZ 4.41Å; L130-F133 HydrophobicContact CD2-CE1 4.36Å; L130-F133 HydrophobicContact CD2-CE2 4.04Å; L130-F133 HydrophobicContact CD2-CZ 3.69Å; F133-I155 HydrophobicContact CB-CG2 4.47Å; F133-I155 HydrophobicContact CD1-CG2 4.09Å; F133-I155 HydrophobicContact CD2-CG2 3.36Å; F133-I155 HydrophobicContact CE1-CG2 4.15Å; F133-I155 HydrophobicContact CE2-CG2 3.42Å; F133-I155 VanDerWaalsContact CE2-CG2 3.42Å; F133-I155 HydrophobicContact CG-CG2 3.7Å; F133-I155 HydrophobicContact CZ-CG2 3.82Å; F133-F159 HydrophobicContact CE2-CB 3.66Å; F133-F159 HydrophobicContact CE2-CD1 4.31Å; F133-F159 AromaticContact CE2-CD2 3.79Å; F133-F159 HydrophobicContact CE2-CD2 3.79Å; F133-F159 AromaticContact CE2-CG 3.67Å; F133-F159 HydrophobicContact CE2-CG 3.67Å; F133-F159 HydrophobicContact CZ-CB 4.24Å; F133-F159 HydrophobicContact CZ-CD1 4.12Å; F133-F159 AromaticContact CZ-CD2 3.56Å; F133-F159 HydrophobicContact CZ-CD2 3.56Å; F133-F159 HydrophobicContact CZ-CE1 4.37Å; F133-F159 AromaticContact CZ-CE2 3.85Å; F133-F159 HydrophobicContact CZ-CE2 3.85Å; F133-F159 AromaticContact CZ-CG 3.71Å; F133-F159 HydrophobicContact CZ-CG 3.71Å; F133-F159 HydrophobicContact CZ-CZ 4.24Å; F133-R162 HydrophobicContact CD2-CB 4.4Å; F133-R162 HydrophobicContact CE2-CB 4.12Å; F133-I163 PolarHBondContact N-O 3.19Å; F133-M164 HydrophobicContact CB-CE 3.89Å; F133-M164 HydrophobicContact CB-SD 3.87Å; F133-M164 HydrophobicContact CD2-CE 4.26Å; F133-M164 HydrophobicContact CG-CE 4.31Å; F133-N165 PolarHBondContact O-N 3.23Å
134	Q	98	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	105.4	176.2	-75.7	-170.8	-14	0	0	110.5	I4 V5 H6 L7 Y50 N165 L250	I4-Q134 HydrophobicContact CG2-CB 4.04Å; I4-Q134 HydrophobicContact CG2-CG 3.61Å; V5-Q134 PolarHBondContact O-N 3.12Å; H6-Q134 CarbonylContact C-O 3.58Å; H6-Q134 WeakPolarHBondContact CA-O 3.49Å; H6-Q134 PolarHBondContact CD2-O 3.4Å; H6-Q134 VanDerWaalsContact CD2-O 3.25Å; L7-Q134 PolarHBondContact N-O 3.48Å; Y50-Q134 PolarHBondContact OH-NE2 3.38Å; Y50-Q134 VanDerWaalsContact OH-NE2 3.09Å; Y50-Q134 PolarHBondContact OH-OE1 2.85Å; Q134-N165 CarbonylContact C-O 3.47Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.28Å; Q134-N165 HydrophobicContact CG-CB 4.02Å; Q134-N165 PolarHBondContact NE2-ND2 3.06Å; Q134-L250 HydrophobicContact CG-CD1 4.5Å
135	L	98.5	Very high	96.2	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.5	178	-177.7	67	0	0	0	111.3	L7 A9 H137 G148 I152 N165 T166 F167	L7-L135 HydrophobicContact CB-CD1 3.51Å; L7-L135 CarbonylContact O-C 3.56Å; L7-L135 WeakPolarHBondContact O-CA 3.38Å; A9-L135 HydrophobicContact CB-CD1 3.96Å; L135-H137 HydrophobicContact CD2-CB 4.19Å; L135-H137 HydrophobicContact CG-CB 4.16Å; L135-G148 WeakPolarHBondContact CD2-O 3.42Å; L135-I152 HydrophobicContact CD2-CD1 3.73Å; L135-I152 HydrophobicContact CD2-CG1 3.6Å; L135-N165 PolarHBondContact N-O 3.22Å; L135-T166 HydrophobicContact CB-CG2 4.28Å; L135-T166 CarbonylContact O-C 3.09Å; L135-T166 VanDerWaalsContact O-CA 3.27Å; L135-T166 WeakPolarHBondContact O-CA 3.16Å; L135-F167 PolarHBondContact O-N 3.15Å
136	T	98.5	Very high	96.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.6	166.9	-50.8	0	0	0	0	109.2	H6 L7 A9 G13 I16 F167 M233	H6-T136 PolarHBondContact NE2-OG1 3.01Å; L7-T136 PolarHBondContact O-N 2.68Å; A9-T136 PolarHBondContact N-O 2.96Å; A9-T136 VanDerWaalsContact N-O 3.07Å; G13-T136 VanDerWaalsContact CA-O 3.24Å; G13-T136 WeakPolarHBondContact CA-O 3.47Å; I16-T136 HydrophobicContact CB-CG2 3.94Å; I16-T136 HydrophobicContact CG2-CG2 3.64Å; T136-F167 HydrophobicContact CG2-CB 4.29Å; T136-M233 HydrophobicContact CG2-CE 4.26Å; T136-M233 HydrophobicContact CG2-SD 4.41Å; T136-M233 WeakPolarHBondContact OG1-CE 3.46Å
137	H	98.3	Very high	96.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	170.4	-173.7	74.6	156.5	0	0	0	112.2	A9 L135 L139 G144 F167 S168 V169	A9-H137 HydrophobicContact CB-CB 4.22Å; L135-H137 HydrophobicContact CD2-CB 4.19Å; L135-H137 HydrophobicContact CG-CB 4.16Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.42Å; H137-G144 PolarHBondContact ND1-O 2.95Å; H137-F167 PolarHBondContact N-O 2.87Å; H137-F167 VanDerWaalsContact N-O 3.17Å; H137-S168 PolarHBondContact CD2-OG 3.44Å; H137-S168 PolarHBondContact NE2-OG 2.95Å; H137-V169 PolarHBondContact O-N 3Å
138	S	97	Very high	96.5	Very high	13 Å²	13	14.6 Å²	14.6	9%	0.091	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.2	173.1	176.8	0	0	0	0	110.7	G140 G144 S145 V169	S138-G140 PolarHBondContact O-N 2.61Å; S138-G140 PolarHBondContact OG-N 3.23Å; S138-G144 CarbonylContact O-C 3.47Å; S138-S145 WeakPolarHBondContact O-CA 3.35Å; S138-S145 PolarHBondContact O-N 2.87Å; S138-V169 WeakPolarHBondContact CA-O 3.38Å; S138-V169 PolarHBondContact OG-O 3.46Å
139	L	97.4	Very high	96.6	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	5%	0.054	C	C	.	.	S	Bend	trans	-77.2	-12.2	177	-47.3	-170.9	0	0	0	112.6	H137 S145 V169 V170 N184 A185 V189 L192	H137-L139 WeakPolarHBondContact NE2-CD2 3.42Å; L139-S145 WeakPolarHBondContact O-CB 3.47Å; L139-V169 PolarHBondContact N-O 2.88Å; L139-V170 HydrophobicContact CD1-CG2 3.97Å; L139-N184 CarbonylContact O-C 3.48Å; L139-N184 VanDerWaalsContact O-CB 3.24Å; L139-N184 WeakPolarHBondContact O-CB 3.03Å; L139-A185 HydrophobicContact CB-CB 4.29Å; L139-A185 WeakPolarHBondContact O-CA 3.4Å; L139-A185 PolarHBondContact O-N 2.94Å; L139-A185 VanDerWaalsContact O-N 3.08Å; L139-V189 HydrophobicContact CD1-CG2 4.21Å; L139-L192 HydrophobicContact CD1-CD1 4.06Å; L139-L192 HydrophobicContact CD2-CD1 3.71Å
140	G	93.8	Very high	96.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-95.1	-27	-178.3	0	0	0	0	0	115	S138 N184	S138-G140 PolarHBondContact O-N 2.61Å; S138-G140 PolarHBondContact OG-N 3.23Å; G140-N184 PolarHBondContact O-ND2 3.29Å
141	G	92.1	Very high	96.9	Very high	18 Å²	18	4.6 Å²	4.6	19%	0.186	3%	0.031	C	C	.	.	S	Bend	trans	-92.4	153.7	-175.8	0	0	0	0	0	113.1	S145	G141-S145 WeakPolarHBondContact O-CB 3.48Å; G141-S145 PolarHBondContact O-N 2.71Å; G141-S145 PolarHBondContact O-OG 3.33Å
142	G	94.2	Very high	97.1	Very high	3 Å²	3	3.8 Å²	3.8	3%	0.031	3%	0.028	C	C	.	.	H	α-helix	trans	-63.9	-47.9	-173.2	0	0	0	0	0	114.2	A97 G146	A97-G142 VanDerWaalsContact CB-C 3.5Å; G142-G146 PolarHBondContact O-N 3.49Å
143	T	96.6	Very high	97.1	Very high	14 Å²	14	4.4 Å²	4.4	9%	0.086	3%	0.032	C	C	.	.	I	π-helix	trans	-69.5	-49.7	177.5	-48.9	0	0	0	0	111.8	D67 L68 S145 M147 G148	D67-T143 PolarHBondContact OD1-OG1 2.85Å; L68-T143 HydrophobicContact CB-CG2 4.39Å; L68-T143 HydrophobicContact CD1-CG2 4.09Å; L68-T143 HydrophobicContact CG-CG2 3.82Å; T143-S145 VanDerWaalsContact C-N 3.29Å; T143-S145 PolarHBondContact O-N 3.37Å; T143-M147 HydrophobicContact CG2-CB 4.22Å; T143-M147 WeakPolarHBondContact O-CA 3.37Å; T143-M147 VanDerWaalsContact O-CB 3.27Å; T143-M147 WeakPolarHBondContact O-CB 3.5Å; T143-M147 PolarHBondContact O-N 2.87Å; T143-G148 PolarHBondContact O-N 3.17Å
144	G	96.2	Very high	97.1	Very high	4 Å²	4	7.4 Å²	7.4	4%	0.041	5%	0.045	C	C	.	.	I	π-helix	trans	-59.8	-42.6	-178.4	0	0	0	0	0	111.9	H137 S138 G148	H137-G144 PolarHBondContact ND1-O 2.95Å; S138-G144 CarbonylContact O-C 3.47Å; G144-G148 VanDerWaalsContact O-CA 3.24Å; G144-G148 WeakPolarHBondContact O-CA 3.38Å; G144-G148 PolarHBondContact O-N 3.2Å
145	S	97.2	Very high	97.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-81.8	-61.2	-175.5	71.8	0	0	0	0	111.4	W101 S138 L139 G141 T143 T149 S188	W101-S145 PolarHBondContact NE1-O 3.42Å; S138-S145 WeakPolarHBondContact O-CA 3.35Å; S138-S145 PolarHBondContact O-N 2.87Å; L139-S145 WeakPolarHBondContact O-CB 3.47Å; G141-S145 WeakPolarHBondContact O-CB 3.48Å; G141-S145 PolarHBondContact O-N 2.71Å; G141-S145 PolarHBondContact O-OG 3.33Å; T143-S145 VanDerWaalsContact C-N 3.29Å; T143-S145 PolarHBondContact O-N 3.37Å; S145-T149 VanDerWaalsContact O-CB 3.32Å; S145-T149 WeakPolarHBondContact O-CB 3.39Å; S145-T149 VanDerWaalsContact O-CG2 3.26Å; S145-T149 WeakPolarHBondContact O-CG2 3.46Å; S145-T149 PolarHBondContact O-N 3.11Å; S145-T149 PolarHBondContact O-OG1 2.73Å; S145-S188 WeakPolarHBondContact CB-OG 3.42Å
146	G	97.5	Very high	97.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-66.4	-59.9	-175.9	0	0	0	0	0	113	W101 G104 H105 G142 T149 L150	W101-G146 VanDerWaalsContact CD1-CA 3.43Å; W101-G146 VanDerWaalsContact CD1-N 3.27Å; W101-G146 WeakPolarHBondContact O-CA 3.42Å; G104-G146 CarbonylContact O-C 3.32Å; H105-G146 PolarHBondContact ND1-O 2.84Å; G142-G146 PolarHBondContact O-N 3.49Å; G146-T149 PolarHBondContact O-OG1 3.25Å; G146-L150 WeakPolarHBondContact O-CB 3.3Å; G146-L150 PolarHBondContact O-N 2.78Å
147	M	97.4	Very high	97	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-70.3	-38.7	-179.6	177.9	57.8	178.8	0	0	111.6	V66 G104 G109 L112 V113 V116 T143 T149 L150 L151	V66-M147 HydrophobicContact CG1-CE 4.35Å; G104-M147 WeakPolarHBondContact O-CA 3.43Å; G104-M147 VanDerWaalsContact O-CB 3.31Å; G104-M147 WeakPolarHBondContact O-CB 3.4Å; G104-M147 PolarHBondContact O-N 3.17Å; G104-M147 VanDerWaalsContact O-N 3.09Å; G109-M147 WeakPolarHBondContact CA-SD 3.22Å; G109-M147 VanDerWaalsContact O-SD 3.36Å; L112-M147 HydrophobicContact CB-CE 4.44Å; V113-M147 HydrophobicContact CB-CE 3.92Å; V113-M147 HydrophobicContact CB-SD 4.42Å; V113-M147 HydrophobicContact CG2-CE 4.16Å; V116-M147 HydrophobicContact CB-CE 4.49Å; V116-M147 HydrophobicContact CG2-CE 3.89Å; T143-M147 HydrophobicContact CG2-CB 4.22Å; T143-M147 WeakPolarHBondContact O-CA 3.37Å; T143-M147 VanDerWaalsContact O-CB 3.27Å; T143-M147 WeakPolarHBondContact O-CB 3.5Å; T143-M147 PolarHBondContact O-N 2.87Å; M147-T149 PolarHBondContact O-N 3.11Å; M147-L150 PolarHBondContact O-N 3.19Å; M147-L150 HydrophobicContact SD-CD2 3.98Å; M147-L151 HydrophobicContact CE-CD1 3.94Å; M147-L151 HydrophobicContact CE-CD2 3.75Å; M147-L151 HydrophobicContact CE-CG 3.73Å; M147-L151 HydrophobicContact CG-CD1 4.29Å; M147-L151 WeakPolarHBondContact O-CB 3.36Å; M147-L151 VanDerWaalsContact O-CG 3.31Å; M147-L151 WeakPolarHBondContact O-CG 3.29Å; M147-L151 PolarHBondContact O-N 2.74Å; M147-L151 HydrophobicContact SD-CG 4.21Å
148	G	97.9	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.7	-44.8	176.6	0	0	0	0	0	112.6	L135 T143 G144 L151 I152	L135-G148 WeakPolarHBondContact CD2-O 3.42Å; T143-G148 PolarHBondContact O-N 3.17Å; G144-G148 VanDerWaalsContact O-CA 3.24Å; G144-G148 WeakPolarHBondContact O-CA 3.38Å; G144-G148 PolarHBondContact O-N 3.2Å; G148-L151 WeakPolarHBondContact O-CB 3.28Å; G148-L151 PolarHBondContact O-N 2.83Å; G148-I152 WeakPolarHBondContact O-CG1 3.32Å; G148-I152 PolarHBondContact O-N 2.85Å
149	T	98.2	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-73.5	-32.9	176.8	56.6	0	0	0	0	113.7	W101 S145 G146 M147 L151 I152 S153 Q191	W101-T149 PolarHBondContact NE1-OG1 3.01Å; S145-T149 VanDerWaalsContact O-CB 3.32Å; S145-T149 WeakPolarHBondContact O-CB 3.39Å; S145-T149 VanDerWaalsContact O-CG2 3.26Å; S145-T149 WeakPolarHBondContact O-CG2 3.46Å; S145-T149 PolarHBondContact O-N 3.11Å; S145-T149 PolarHBondContact O-OG1 2.73Å; G146-T149 PolarHBondContact O-OG1 3.25Å; M147-T149 PolarHBondContact O-N 3.11Å; T149-L151 VanDerWaalsContact C-N 3.3Å; T149-L151 PolarHBondContact O-N 3.25Å; T149-I152 HydrophobicContact CG2-CD1 4.46Å; T149-I152 WeakPolarHBondContact O-CB 3.39Å; T149-I152 PolarHBondContact O-N 3.41Å; T149-S153 PolarHBondContact O-N 3.11Å; T149-S153 VanDerWaalsContact O-N 3.07Å; T149-S153 PolarHBondContact O-OG 3.15Å; T149-Q191 HydrophobicContact CG2-CB 3.92Å
150	L	98.2	Very high	97	Very high	16 Å²	16	23.8 Å²	23.8	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-57.5	-45.6	169	178.4	63.2	0	0	0	111.4	H105 V113 G146 M147 S153 K154	H105-L150 WeakPolarHBondContact O-CD2 3.44Å; V113-L150 HydrophobicContact CB-CD2 3.98Å; V113-L150 HydrophobicContact CG1-CD2 4.33Å; V113-L150 HydrophobicContact CG2-CD2 4.03Å; V113-L150 HydrophobicContact CG2-CG 4.08Å; G146-L150 WeakPolarHBondContact O-CB 3.3Å; G146-L150 PolarHBondContact O-N 2.78Å; M147-L150 PolarHBondContact O-N 3.19Å; M147-L150 HydrophobicContact SD-CD2 3.98Å; L150-S153 PolarHBondContact O-N 2.89Å; L150-K154 HydrophobicContact CD1-CG 4.22Å; L150-K154 WeakPolarHBondContact O-CB 3.17Å; L150-K154 WeakPolarHBondContact O-CG 3.39Å; L150-K154 PolarHBondContact O-N 2.91Å
151	L	98.3	Very high	97.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-42.7	176.8	-75.2	171	0	0	0	111.9	V66 V113 V116 M147 G148 T149 S153 K154 I155	V66-L151 HydrophobicContact CG1-CD1 4.41Å; V66-L151 HydrophobicContact CG2-CD1 4.38Å; V113-L151 HydrophobicContact CG2-CD2 3.91Å; V116-L151 HydrophobicContact CB-CD2 3.85Å; V116-L151 HydrophobicContact CG1-CD1 4.17Å; V116-L151 HydrophobicContact CG1-CD2 3.49Å; V116-L151 VanDerWaalsContact CG1-CD2 3.49Å; V116-L151 HydrophobicContact CG1-CG 4.5Å; V116-L151 HydrophobicContact CG2-CD2 4.5Å; M147-L151 HydrophobicContact CE-CD1 3.94Å; M147-L151 HydrophobicContact CE-CD2 3.75Å; M147-L151 HydrophobicContact CE-CG 3.73Å; M147-L151 HydrophobicContact CG-CD1 4.29Å; M147-L151 WeakPolarHBondContact O-CB 3.36Å; M147-L151 VanDerWaalsContact O-CG 3.31Å; M147-L151 WeakPolarHBondContact O-CG 3.29Å; M147-L151 PolarHBondContact O-N 2.74Å; M147-L151 HydrophobicContact SD-CG 4.21Å; G148-L151 WeakPolarHBondContact O-CB 3.28Å; G148-L151 PolarHBondContact O-N 2.83Å; T149-L151 VanDerWaalsContact C-N 3.3Å; T149-L151 PolarHBondContact O-N 3.25Å; L151-S153 PolarHBondContact O-N 2.86Å; L151-K154 PolarHBondContact O-N 3.18Å; L151-I155 HydrophobicContact CB-CD1 4.49Å; L151-I155 VanDerWaalsContact O-CB 3.31Å; L151-I155 WeakPolarHBondContact O-CB 3.33Å; L151-I155 WeakPolarHBondContact O-CD1 3.27Å; L151-I155 WeakPolarHBondContact O-CG1 3.33Å; L151-I155 PolarHBondContact O-N 2.8Å
152	I	98.4	Very high	97.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-55.3	-52.9	175.5	-71.8	171.1	0	0	0	110.2	L135 G148 T149 K154 I155 R156 M164 T166 L192 N195 T196	L135-I152 HydrophobicContact CD2-CD1 3.73Å; L135-I152 HydrophobicContact CD2-CG1 3.6Å; G148-I152 WeakPolarHBondContact O-CG1 3.32Å; G148-I152 PolarHBondContact O-N 2.85Å; T149-I152 HydrophobicContact CG2-CD1 4.46Å; T149-I152 WeakPolarHBondContact O-CB 3.39Å; T149-I152 PolarHBondContact O-N 3.41Å; I152-K154 PolarHBondContact O-N 2.7Å; I152-I155 PolarHBondContact O-N 2.98Å; I152-R156 WeakPolarHBondContact O-CB 3.36Å; I152-R156 PolarHBondContact O-N 3.19Å; I152-M164 HydrophobicContact CG1-SD 4.31Å; I152-M164 HydrophobicContact CG2-CG 4.08Å; I152-T166 HydrophobicContact CD1-CG2 3.77Å; I152-T166 HydrophobicContact CG1-CG2 4.48Å; I152-L192 HydrophobicContact CD1-CD2 3.56Å; I152-N195 HydrophobicContact CG2-CB 3.43Å; I152-N195 VanDerWaalsContact CG2-CB 3.43Å; I152-T196 HydrophobicContact CD1-CG2 3.99Å; I152-T196 HydrophobicContact CG2-CG2 3.85Å
153	S	97.9	Very high	97.4	Very high	12 Å²	12	33 Å²	33	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-42.8	-176.7	-51.2	0	0	0	0	111.2	T149 L150 L151 R156 E157 Q191 N195	T149-S153 PolarHBondContact O-N 3.11Å; T149-S153 VanDerWaalsContact O-N 3.07Å; T149-S153 PolarHBondContact O-OG 3.15Å; L150-S153 PolarHBondContact O-N 2.89Å; L151-S153 PolarHBondContact O-N 2.86Å; S153-R156 WeakPolarHBondContact O-CB 3.24Å; S153-R156 PolarHBondContact O-N 3.12Å; S153-E157 WeakPolarHBondContact O-CG 3.46Å; S153-E157 PolarHBondContact O-N 2.81Å; S153-Q191 PolarHBondContact OG-OE1 2.92Å; S153-N195 PolarHBondContact OG-ND2 2.79Å
154	K	98.2	Very high	97.5	Very high	65 Å²	65	32.5 Å²	32.5	28%	0.283	16%	0.158	S	C	.	.	H	α-helix	trans	-67.3	-40.1	177.9	-69.2	-73.5	159.1	-134	0	113.6	V113 L117 L150 L151 I152 R156 E157 E158	V113-K154 HydrophobicContact CG2-CG 4.13Å; L117-K154 HydrophobicContact CD1-CB 3.87Å; L117-K154 HydrophobicContact CD1-CD 4.48Å; L117-K154 HydrophobicContact CD1-CG 4.34Å; L117-K154 HydrophobicContact CD2-CB 3.98Å; L117-K154 HydrophobicContact CG-CB 4.46Å; L150-K154 HydrophobicContact CD1-CG 4.22Å; L150-K154 WeakPolarHBondContact O-CB 3.17Å; L150-K154 WeakPolarHBondContact O-CG 3.39Å; L150-K154 PolarHBondContact O-N 2.91Å; L151-K154 PolarHBondContact O-N 3.18Å; I152-K154 PolarHBondContact O-N 2.7Å; K154-R156 VanDerWaalsContact C-N 3.32Å; K154-E157 IonicContact NZ-OE1 3.07Å; K154-E157 PolarHBondContact NZ-OE1 2.99Å; K154-E157 IonicContact NZ-OE2 2.97Å; K154-E157 PolarHBondContact NZ-OE2 2.84Å; K154-E157 WeakPolarHBondContact O-CB 3.46Å; K154-E157 PolarHBondContact O-N 2.9Å; K154-E158 PolarHBondContact O-N 2.96Å; K154-E158 VanDerWaalsContact O-N 3.08Å
155	I	98.4	Very high	97.5	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-67.7	-37	175.4	-67	166.6	0	0	0	110.3	L7 L117 V120 F133 L151 I152 E157 E158 F159 M164	L7-I155 HydrophobicContact CD1-CD1 4.41Å; L7-I155 HydrophobicContact CD2-CD1 3.5Å; L117-I155 HydrophobicContact CD2-CG1 3.86Å; V120-I155 HydrophobicContact CG1-CD1 4.24Å; V120-I155 HydrophobicContact CG1-CG1 4.29Å; V120-I155 HydrophobicContact CG2-CD1 4.44Å; F133-I155 HydrophobicContact CB-CG2 4.47Å; F133-I155 HydrophobicContact CD1-CG2 4.09Å; F133-I155 HydrophobicContact CD2-CG2 3.36Å; F133-I155 HydrophobicContact CE1-CG2 4.15Å; F133-I155 HydrophobicContact CE2-CG2 3.42Å; F133-I155 VanDerWaalsContact CE2-CG2 3.42Å; F133-I155 HydrophobicContact CG-CG2 3.7Å; F133-I155 HydrophobicContact CZ-CG2 3.82Å; L151-I155 HydrophobicContact CB-CD1 4.49Å; L151-I155 VanDerWaalsContact O-CB 3.31Å; L151-I155 WeakPolarHBondContact O-CB 3.33Å; L151-I155 WeakPolarHBondContact O-CD1 3.27Å; L151-I155 WeakPolarHBondContact O-CG1 3.33Å; L151-I155 PolarHBondContact O-N 2.8Å; I152-I155 PolarHBondContact O-N 2.98Å; I155-E157 VanDerWaalsContact C-N 3.33Å; I155-E158 PolarHBondContact O-N 3.47Å; I155-F159 HydrophobicContact CG2-CD2 4.04Å; I155-F159 WeakPolarHBondContact O-CB 3.4Å; I155-F159 PolarHBondContact O-N 3.37Å; I155-M164 HydrophobicContact CB-CE 3.63Å; I155-M164 HydrophobicContact CD1-CE 4.32Å; I155-M164 HydrophobicContact CG2-CE 3.36Å
156	R	97.2	Very high	97.6	Very high	41 Å²	41	32.3 Å²	32.3	16%	0.155	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-39.9	174.1	-178.9	62.1	67.2	169.9	13.7	111.9	I152 S153 K154 F159 P160 R162 N195 D197	I152-R156 WeakPolarHBondContact O-CB 3.36Å; I152-R156 PolarHBondContact O-N 3.19Å; S153-R156 WeakPolarHBondContact O-CB 3.24Å; S153-R156 PolarHBondContact O-N 3.12Å; K154-R156 VanDerWaalsContact C-N 3.32Å; R156-F159 CarbonylContact O-C 3.47Å; R156-P160 VanDerWaalsContact O-CA 3.22Å; R156-P160 WeakPolarHBondContact O-CA 3.35Å; R156-P160 VanDerWaalsContact O-N 3.17Å; R156-R162 PolarHBondContact NH1-O 3.05Å; R156-N195 PolarHBondContact NE-O 2.76Å; R156-N195 PolarHBondContact NH2-O 2.7Å; R156-D197 IonicContact CZ-OD1 3.16Å; R156-D197 IonicContact CZ-OD2 2.71Å; R156-D197 IonicContact NH1-OD1 2.89Å; R156-D197 PolarHBondContact NH1-OD1 3.2Å; R156-D197 IonicContact NH1-OD2 3.25Å; R156-D197 PolarHBondContact NH1-OD2 3.48Å; R156-D197 VanDerWaalsContact NH1-OD2 3.1Å; R156-D197 IonicContact NH2-OD1 3.1Å; R156-D197 PolarHBondContact NH2-OD1 3.29Å; R156-D197 IonicContact NH2-OD2 3.24Å; R156-D197 PolarHBondContact NH2-OD2 3.24Å
157	E	97.3	Very high	97.6	Very high	127 Å²	127	32.4 Å²	32.4	59%	0.593	16%	0.157	S	C	*	.	H	α-helix	trans	-62	-44.5	174	-72.2	169.6	-152.5	0	0	112.1	S153 K154 I155	S153-E157 WeakPolarHBondContact O-CG 3.46Å; S153-E157 PolarHBondContact O-N 2.81Å; K154-E157 IonicContact NZ-OE1 3.07Å; K154-E157 PolarHBondContact NZ-OE1 2.99Å; K154-E157 IonicContact NZ-OE2 2.97Å; K154-E157 PolarHBondContact NZ-OE2 2.84Å; K154-E157 WeakPolarHBondContact O-CB 3.46Å; K154-E157 PolarHBondContact O-N 2.9Å; I155-E157 VanDerWaalsContact C-N 3.33Å
158	E	97.7	Very high	97.7	Very high	76 Å²	76	32.4 Å²	32.4	36%	0.355	16%	0.157	S	C	.	.	H	α-helix	trans	-77.6	-31.4	-179.2	-73	-165.2	-154.9	0	0	113.8	R121 K154 I155 P160	R121-E158 IonicContact CZ-OE1 2.74Å; R121-E158 IonicContact CZ-OE2 3.91Å; R121-E158 IonicContact NE-OE2 3.84Å; R121-E158 PolarHBondContact NE-OE2 2.83Å; R121-E158 VanDerWaalsContact NE-OE2 3.07Å; R121-E158 VanDerWaalsContact NH2-CD 3.29Å; R121-E158 IonicContact NH2-OE1 2.77Å; R121-E158 PolarHBondContact NH2-OE1 2.83Å; R121-E158 IonicContact NH2-OE2 2.79Å; R121-E158 PolarHBondContact NH2-OE2 3.45Å; K154-E158 PolarHBondContact O-N 2.96Å; K154-E158 VanDerWaalsContact O-N 3.08Å; I155-E158 PolarHBondContact O-N 3.47Å; E158-P160 VanDerWaalsContact C-CD 3.46Å
159	F	97.7	Very high	97.7	Very high	41 Å²	41	32.4 Å²	32.4	18%	0.18	16%	0.157	C	C	.	.			trans	-130	59	-174.4	-57.2	-87.3	0	0	0	112.2	A124 L130 F133 I155 R156 D161 R162	A124-F159 HydrophobicContact CB-CE1 3.96Å; A124-F159 HydrophobicContact CB-CZ 3.85Å; L130-F159 HydrophobicContact CD2-CD1 4.3Å; L130-F159 HydrophobicContact CD2-CE1 4.44Å; F133-F159 HydrophobicContact CE2-CB 3.66Å; F133-F159 HydrophobicContact CE2-CD1 4.31Å; F133-F159 AromaticContact CE2-CD2 3.79Å; F133-F159 HydrophobicContact CE2-CD2 3.79Å; F133-F159 AromaticContact CE2-CG 3.67Å; F133-F159 HydrophobicContact CE2-CG 3.67Å; F133-F159 HydrophobicContact CZ-CB 4.24Å; F133-F159 HydrophobicContact CZ-CD1 4.12Å; F133-F159 AromaticContact CZ-CD2 3.56Å; F133-F159 HydrophobicContact CZ-CD2 3.56Å; F133-F159 HydrophobicContact CZ-CE1 4.37Å; F133-F159 AromaticContact CZ-CE2 3.85Å; F133-F159 HydrophobicContact CZ-CE2 3.85Å; F133-F159 AromaticContact CZ-CG 3.71Å; F133-F159 HydrophobicContact CZ-CG 3.71Å; F133-F159 HydrophobicContact CZ-CZ 4.24Å; I155-F159 HydrophobicContact CG2-CD2 4.04Å; I155-F159 WeakPolarHBondContact O-CB 3.4Å; I155-F159 PolarHBondContact O-N 3.37Å; R156-F159 CarbonylContact O-C 3.47Å; F159-D161 VanDerWaalsContact C-N 3.25Å; F159-D161 PolarHBondContact O-N 3.21Å; F159-R162 HydrophobicContact CB-CB 4.06Å; F159-R162 HydrophobicContact CB-CG 3.95Å; F159-R162 PolarHBondContact O-N 3.03Å
160	P	96.6	Very high	97.6	Very high	77 Å²	77	32.5 Å²	32.5	50%	0.5	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.1	-171.8	23.5	-34.7	0	0	0	113.3	R156 E158 R162	R156-P160 VanDerWaalsContact O-CA 3.22Å; R156-P160 WeakPolarHBondContact O-CA 3.35Å; R156-P160 VanDerWaalsContact O-N 3.17Å; E158-P160 VanDerWaalsContact C-CD 3.46Å; P160-R162 VanDerWaalsContact C-N 3.25Å; P160-R162 PolarHBondContact O-N 2.78Å
161	D	95.3	Very high	97.4	Very high	118 Å²	118	32.2 Å²	32.2	63%	0.631	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	4.8	-179.1	-60.6	-39.8	0	0	0	113.8	F159 R251	F159-D161 VanDerWaalsContact C-N 3.25Å; F159-D161 PolarHBondContact O-N 3.21Å; D161-R251 PolarHBondContact O-NH2 2.86Å
162	R	96.7	Very high	96.9	Very high	92 Å²	92	32.2 Å²	32.2	35%	0.347	16%	0.156	S	C	.	.	S	Bend	trans	-107.1	145.5	-177.4	-63.4	-60.5	179.5	-77.8	-5.1	111	L130 F133 R156 F159 P160 M164	L130-R162 HydrophobicContact CD2-CG 4.16Å; L130-R162 WeakPolarHBondContact O-CD 3.12Å; L130-R162 PolarHBondContact O-NE 2.96Å; F133-R162 HydrophobicContact CD2-CB 4.4Å; F133-R162 HydrophobicContact CE2-CB 4.12Å; R156-R162 PolarHBondContact NH1-O 3.05Å; F159-R162 HydrophobicContact CB-CB 4.06Å; F159-R162 HydrophobicContact CB-CG 3.95Å; F159-R162 PolarHBondContact O-N 3.03Å; P160-R162 VanDerWaalsContact C-N 3.25Å; P160-R162 PolarHBondContact O-N 2.78Å; R162-M164 PolarHBondContact O-N 3.29Å
163	I	97	Very high	96.1	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.4	-179.7	-63.5	-65.1	0	0	0	109.6	Q131 G132 F133 D197 L250 R251 A254	Q131-I163 PolarHBondContact O-N 2.99Å; Q131-I163 VanDerWaalsContact O-N 3.07Å; G132-I163 CarbonylContact C-O 3.58Å; G132-I163 WeakPolarHBondContact CA-O 3.46Å; F133-I163 PolarHBondContact N-O 3.19Å; I163-D197 VanDerWaalsContact CA-OD2 3.26Å; I163-D197 WeakPolarHBondContact CA-OD2 3.49Å; I163-D197 HydrophobicContact CD1-CB 4.16Å; I163-D197 HydrophobicContact CG2-CB 4.17Å; I163-L250 HydrophobicContact CB-CB 4.06Å; I163-L250 HydrophobicContact CB-CD1 4.41Å; I163-L250 HydrophobicContact CG1-CB 4.18Å; I163-L250 HydrophobicContact CG2-CB 3.86Å; I163-L250 HydrophobicContact CG2-CD1 4.24Å; I163-R251 HydrophobicContact CD1-CB 4.2Å; I163-R251 HydrophobicContact CD1-CG 4.4Å; I163-R251 HydrophobicContact CG1-CB 4.06Å; I163-A254 HydrophobicContact CD1-CB 4.47Å
164	M	98.2	Very high	95.2	Very high	4 Å²	4	42 Å²	42	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.4	167.5	-177.5	62.1	67.8	0	0	109	F133 I152 I155 R162 T196 D197 E198	F133-M164 HydrophobicContact CB-CE 3.89Å; F133-M164 HydrophobicContact CB-SD 3.87Å; F133-M164 HydrophobicContact CD2-CE 4.26Å; F133-M164 HydrophobicContact CG-CE 4.31Å; I152-M164 HydrophobicContact CG1-SD 4.31Å; I152-M164 HydrophobicContact CG2-CG 4.08Å; I155-M164 HydrophobicContact CB-CE 3.63Å; I155-M164 HydrophobicContact CD1-CE 4.32Å; I155-M164 HydrophobicContact CG2-CE 3.36Å; R162-M164 PolarHBondContact O-N 3.29Å; M164-T196 HydrophobicContact CG-CG2 3.96Å; M164-D197 PolarHBondContact N-OD2 2.72Å; M164-D197 PolarHBondContact O-N 2.97Å; M164-E198 PolarHBondContact O-N 3.05Å
165	N	97.2	Very high	94.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.4	174.8	171.1	40.3	0	0	0	110.3	F133 Q134 L135 E198 Y200	F133-N165 PolarHBondContact O-N 3.23Å; Q134-N165 CarbonylContact C-O 3.47Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.28Å; Q134-N165 HydrophobicContact CG-CB 4.02Å; Q134-N165 PolarHBondContact NE2-ND2 3.06Å; L135-N165 PolarHBondContact N-O 3.22Å; N165-E198 CarbonylContact C-O 3.59Å; N165-E198 VanDerWaalsContact CA-O 3.31Å; N165-E198 WeakPolarHBondContact CA-O 3.46Å; N165-E198 HydrophobicContact CB-CB 4.12Å; N165-E198 WeakPolarHBondContact OD1-CB 3.41Å; N165-E198 PolarHBondContact OD1-O 2.7Å; N165-E198 VanDerWaalsContact OD1-O 3.11Å; N165-Y200 WeakPolarHBondContact OD1-CD2 3.47Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.23Å
166	T	98.4	Very high	93.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.9	177	76.6	0	0	0	0	113.4	L135 I152 S168 L192 T196 E198 T199 Y200	L135-T166 HydrophobicContact CB-CG2 4.28Å; L135-T166 CarbonylContact O-C 3.09Å; L135-T166 VanDerWaalsContact O-CA 3.27Å; L135-T166 WeakPolarHBondContact O-CA 3.16Å; I152-T166 HydrophobicContact CD1-CG2 3.77Å; I152-T166 HydrophobicContact CG1-CG2 4.48Å; T166-S168 PolarHBondContact OG1-OG 2.95Å; T166-L192 HydrophobicContact CG2-CD2 4Å; T166-T196 HydrophobicContact CG2-CG2 3.58Å; T166-E198 PolarHBondContact N-O 2.59Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.41Å; T166-T199 PolarHBondContact OG1-OG1 3.11Å; T166-T199 VanDerWaalsContact OG1-OG1 3.08Å; T166-Y200 WeakPolarHBondContact O-CD2 3.04Å; T166-Y200 PolarHBondContact O-N 3.02Å
167	F	98.5	Very high	93	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	100.8	161.4	-66.1	-80.9	0	0	0	107.5	L135 T136 H137 Y200 I202 M233 V236 T237	L135-F167 PolarHBondContact O-N 3.15Å; T136-F167 HydrophobicContact CG2-CB 4.29Å; H137-F167 PolarHBondContact N-O 2.87Å; H137-F167 VanDerWaalsContact N-O 3.17Å; F167-Y200 HydrophobicContact CD1-CD2 4.07Å; F167-Y200 AromaticContact CD1-CG 3.88Å; F167-Y200 HydrophobicContact CD1-CG 3.88Å; F167-Y200 HydrophobicContact CE1-CD1 4.21Å; F167-Y200 AromaticContact CE1-CD2 3.75Å; F167-Y200 HydrophobicContact CE1-CD2 3.75Å; F167-Y200 HydrophobicContact CE1-CE2 4.38Å; F167-Y200 AromaticContact CE1-CG 3.67Å; F167-Y200 HydrophobicContact CE1-CG 3.67Å; F167-Y200 HydrophobicContact CZ-CD2 4.13Å; F167-Y200 HydrophobicContact CZ-CE2 4.44Å; F167-Y200 HydrophobicContact CZ-CG 4.48Å; F167-I202 HydrophobicContact CB-CD1 4.16Å; F167-I202 HydrophobicContact CD1-CD1 4.19Å; F167-M233 HydrophobicContact CB-SD 4.47Å; F167-M233 HydrophobicContact CD1-CG 3.61Å; F167-M233 HydrophobicContact CD2-CE 3.74Å; F167-M233 HydrophobicContact CD2-CG 4.08Å; F167-M233 HydrophobicContact CD2-SD 4.41Å; F167-M233 HydrophobicContact CE1-CB 4.28Å; F167-M233 HydrophobicContact CE1-CG 3.68Å; F167-M233 HydrophobicContact CE2-CE 4.1Å; F167-M233 HydrophobicContact CE2-CG 4.13Å; F167-M233 HydrophobicContact CG-CE 4.14Å; F167-M233 HydrophobicContact CG-CG 3.81Å; F167-M233 HydrophobicContact CG-SD 4.23Å; F167-M233 HydrophobicContact CZ-CB 4.2Å; F167-M233 HydrophobicContact CZ-CG 3.94Å; F167-V236 HydrophobicContact CE1-CB 4.41Å; F167-V236 HydrophobicContact CE1-CG1 4.35Å; F167-V236 HydrophobicContact CE1-CG2 4.41Å; F167-V236 HydrophobicContact CZ-CB 4.29Å; F167-V236 HydrophobicContact CZ-CG1 4.03Å; F167-T237 HydrophobicContact CZ-CG2 4.5Å
168	S	98.4	Very high	92.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	107.6	-166	-74	0	0	0	0	110.8	H137 T166 V170 Y200 I202	H137-S168 PolarHBondContact CD2-OG 3.44Å; H137-S168 PolarHBondContact NE2-OG 2.95Å; T166-S168 PolarHBondContact OG1-OG 2.95Å; S168-V170 PolarHBondContact O-N 2.67Å; S168-Y200 PolarHBondContact N-O 3.06Å; S168-I202 PolarHBondContact O-N 3.06Å
169	V	97.8	Very high	92.3	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110.5	178.9	-177.3	0	0	0	0	110.6	I16 H137 S138 L139 I202 N204	I16-V169 HydrophobicContact CD1-CG2 3.51Å; H137-V169 PolarHBondContact O-N 3Å; S138-V169 WeakPolarHBondContact CA-O 3.38Å; S138-V169 PolarHBondContact OG-O 3.46Å; L139-V169 PolarHBondContact N-O 2.88Å; V169-I202 CarbonylContact C-O 3.54Å; V169-I202 WeakPolarHBondContact CA-O 3.32Å; V169-I202 HydrophobicContact CG2-CB 4.32Å; V169-I202 HydrophobicContact CG2-CG2 4.27Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.3Å
170	V	96.6	Very high	92.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.9	179	-172.7	0	0	0	0	109.9	L139 S168 I202 N204 L377 I381	L139-V170 HydrophobicContact CD1-CG2 3.97Å; S168-V170 PolarHBondContact O-N 2.67Å; V170-I202 PolarHBondContact N-O 3.11Å; V170-N204 PolarHBondContact O-N 2.99Å; V170-N204 VanDerWaalsContact O-N 3.15Å; V170-L377 HydrophobicContact CG1-CD1 3.96Å; V170-L377 HydrophobicContact CG1-CD2 4.47Å; V170-L377 HydrophobicContact CG1-CG 4.25Å; V170-L377 HydrophobicContact CG2-CD2 3.99Å; V170-I381 HydrophobicContact CG1-CD1 3.74Å; V170-I381 HydrophobicContact CG1-CG1 4.43Å
171	P	93.8	Very high	92.1	Very high	10 Å²	10	38.4 Å²	38.4	7%	0.065	20%	0.202	C	C	.	.			trans	-69.1	160.7	-179.3	26.4	-33.6	0	0	0	113.1	E181 A185	P171-E181 HydrophobicContact CB-CB 3.77Å; P171-E181 VanDerWaalsContact CB-CD 3.48Å; P171-E181 HydrophobicContact CB-CG 3.94Å; P171-E181 VanDerWaalsContact CB-OE2 3.26Å; P171-E181 WeakPolarHBondContact CB-OE2 3.25Å; P171-E181 HydrophobicContact CG-CB 3.96Å; P171-A185 HydrophobicContact CG-CB 3.85Å
172	S	87.8	Confident	92.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.			trans	-144.5	129.6	170	176.3	0	0	0	0	110.5	K174 V175 S176 E205	S172-K174 PolarHBondContact O-N 2.83Å; S172-K174 PolarHBondContact OG-N 3.18Å; S172-V175 PolarHBondContact O-N 2.93Å; S172-S176 PolarHBondContact O-N 3.4Å; S172-E205 PolarHBondContact OG-OE2 2.91Å; S172-E205 VanDerWaalsContact OG-OE2 3.05Å
173	P	80.9	Confident	92.2	Very high	76 Å²	76	29 Å²	29	49%	0.494	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-8.4	176.9	29.8	-36.8	0	0	0	113.1	V175	P173-V175 VanDerWaalsContact C-N 3.34Å
174	K	79.5	Confident	92.3	Very high	144 Å²	144	28.7 Å²	28.7	63%	0.626	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-17.3	172.4	-66	178.2	-179.1	166.9	0	112.9	S172 E205	S172-K174 PolarHBondContact O-N 2.83Å; S172-K174 PolarHBondContact OG-N 3.18Å; K174-E205 HydrophobicContact CD-CG 4.17Å; K174-E205 IonicContact NZ-OE1 3.28Å; K174-E205 PolarHBondContact NZ-OE1 3.01Å; K174-E205 IonicContact NZ-OE2 2.84Å
175	V	81	Confident	92.2	Very high	34 Å²	34	28.5 Å²	28.5	21%	0.206	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-30.7	-172	-175.1	0	0	0	0	111.6	S172 P173 N204 Y208 Y222 L225	S172-V175 PolarHBondContact O-N 2.93Å; P173-V175 VanDerWaalsContact C-N 3.34Å; V175-N204 HydrophobicContact CB-CB 4.27Å; V175-N204 HydrophobicContact CG1-CB 4.32Å; V175-N204 HydrophobicContact CG2-CB 4.24Å; V175-Y208 HydrophobicContact CG2-CD2 4.28Å; V175-Y208 HydrophobicContact CG2-CG 4.19Å; V175-Y222 HydrophobicContact CG1-CE1 4.24Å; V175-Y222 PolarHBondContact O-OH 3.21Å; V175-L225 HydrophobicContact CG1-CD2 4.48Å
176	S	83.6	Confident	92.3	Very high	16 Å²	16	28.5 Å²	28.5	11%	0.112	16%	0.157	C	C	.	.			trans	-120.6	143.8	-178.7	-177.8	0	0	0	0	111.9	S172 T178 E181	S172-S176 PolarHBondContact O-N 3.4Å; S176-T178 PolarHBondContact OG-N 3.18Å; S176-T178 PolarHBondContact OG-OG1 3.41Å; S176-E181 WeakPolarHBondContact CB-OE1 3.1Å; S176-E181 WeakPolarHBondContact CB-OE2 3.46Å; S176-E181 PolarHBondContact OG-OE1 3.28Å
177	D	82.9	Confident	92.3	Very high	166 Å²	166	28.8 Å²	28.8	89%	0.888	16%	0.158	S	C	*	.			trans	-91.6	2	175.4	-65.3	-43.8	0	0	0	112.7	V179	D177-V179 PolarHBondContact O-N 2.63Å
178	T	89.1	Confident	92.2	Very high	35 Å²	35	28.7 Å²	28.7	22%	0.215	16%	0.158	C	C	.	.			trans	-74.6	113	-176.2	-60.5	0	0	0	0	110.7	N99 S176 V180 E181	N99-T178 HydrophobicContact CB-CG2 3.73Å; N99-T178 PolarHBondContact ND2-OG1 2.74Å; S176-T178 PolarHBondContact OG-N 3.18Å; S176-T178 PolarHBondContact OG-OG1 3.41Å; T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 HydrophobicContact CG2-CG2 4.09Å; T178-V180 PolarHBondContact O-N 3.06Å; T178-E181 HydrophobicContact CG2-CG 3.8Å; T178-E181 WeakPolarHBondContact O-CG 3.49Å
179	V	90.9	Very high	92.2	Very high	80 Å²	80	28.8 Å²	28.8	49%	0.485	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22.4	-171.4	-60.2	0	0	0	0	114.8	D177 M388 F394	D177-V179 PolarHBondContact O-N 2.63Å; V179-M388 WeakPolarHBondContact O-CE 3.41Å; V179-M388 VanDerWaalsContact O-SD 3.33Å; V179-F394 HydrophobicContact CB-CE2 4.22Å; V179-F394 HydrophobicContact CB-CZ 4.5Å; V179-F394 HydrophobicContact CG2-CD2 4.22Å; V179-F394 HydrophobicContact CG2-CE1 4.25Å; V179-F394 HydrophobicContact CG2-CE2 3.7Å; V179-F394 HydrophobicContact CG2-CZ 3.72Å
180	V	95.3	Very high	92.2	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.03	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4.7	-174.8	-58.3	0	0	0	0	114.2	N99 T178 P182 Y183 N184 F394 W397 Y398	N99-V180 HydrophobicContact CB-CG2 4.43Å; N99-V180 WeakPolarHBondContact O-CG2 3.39Å; T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 HydrophobicContact CG2-CG2 4.09Å; T178-V180 PolarHBondContact O-N 3.06Å; V180-P182 VanDerWaalsContact C-N 3.31Å; V180-Y183 PolarHBondContact O-N 3.07Å; V180-Y183 VanDerWaalsContact O-N 3.15Å; V180-N184 PolarHBondContact O-N 2.83Å; V180-F394 HydrophobicContact CG1-CB 3.89Å; V180-F394 HydrophobicContact CG1-CD2 4.17Å; V180-F394 HydrophobicContact CG1-CG 4Å; V180-W397 HydrophobicContact CG1-CE3 4.16Å; V180-W397 HydrophobicContact CG1-CZ3 4.23Å; V180-Y398 HydrophobicContact CB-CE2 4.34Å; V180-Y398 VanDerWaalsContact CB-OH 3.32Å; V180-Y398 WeakPolarHBondContact CB-OH 3.47Å; V180-Y398 HydrophobicContact CG1-CE2 4.42Å; V180-Y398 PolarHBondContact O-OH 2.8Å
181	E	95.9	Very high	92.3	Very high	18 Å²	18	32.4 Å²	32.4	8%	0.084	18%	0.175	C	C	.	.	H	α-helix	trans	-52.1	-38.9	178	-74	-179.6	161.9	0	0	114.5	P171 S176 T178 Y183 N184 A185	P171-E181 HydrophobicContact CB-CB 3.77Å; P171-E181 VanDerWaalsContact CB-CD 3.48Å; P171-E181 HydrophobicContact CB-CG 3.94Å; P171-E181 VanDerWaalsContact CB-OE2 3.26Å; P171-E181 WeakPolarHBondContact CB-OE2 3.25Å; P171-E181 HydrophobicContact CG-CB 3.96Å; S176-E181 WeakPolarHBondContact CB-OE1 3.1Å; S176-E181 WeakPolarHBondContact CB-OE2 3.46Å; S176-E181 PolarHBondContact OG-OE1 3.28Å; T178-E181 HydrophobicContact CG2-CG 3.8Å; T178-E181 WeakPolarHBondContact O-CG 3.49Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 2.77Å; E181-N184 PolarHBondContact O-N 3.2Å; E181-A185 VanDerWaalsContact O-CB 3.29Å; E181-A185 WeakPolarHBondContact O-CB 3.4Å; E181-A185 PolarHBondContact O-N 3.35Å
182	P	96	Very high	92.5	Very high	11 Å²	11	31.9 Å²	31.9	7%	0.071	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-36.5	179.3	-26.3	37.1	0	0	0	113.6	V180 T186 Q384 F385 M388	V180-P182 VanDerWaalsContact C-N 3.31Å; P182-T186 WeakPolarHBondContact O-CB 3.4Å; P182-T186 PolarHBondContact O-N 3.19Å; P182-T186 PolarHBondContact O-OG1 3.15Å; P182-Q384 HydrophobicContact CB-CB 3.85Å; P182-Q384 HydrophobicContact CG-CB 3.72Å; P182-F385 HydrophobicContact CB-CB 4.4Å; P182-M388 HydrophobicContact CB-SD 4.1Å; P182-M388 HydrophobicContact CG-SD 3.77Å
183	Y	97.6	Very high	93	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-50.6	174	-70.8	-26.1	0	0	0	111	V180 E181 A185 T186 L187 F385 M388 F389 A393 L395 Y398 F408	V180-Y183 PolarHBondContact O-N 3.07Å; V180-Y183 VanDerWaalsContact O-N 3.15Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 2.77Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 3.22Å; Y183-T186 PolarHBondContact O-N 3.05Å; Y183-L187 VanDerWaalsContact O-CG 3.27Å; Y183-L187 WeakPolarHBondContact O-CG 3.47Å; Y183-L187 PolarHBondContact O-N 3.26Å; Y183-F385 AromaticContact CD1-CD2 3.47Å; Y183-F385 HydrophobicContact CD1-CD2 3.47Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.47Å; Y183-F385 AromaticContact CD1-CE2 3.51Å; Y183-F385 HydrophobicContact CD1-CE2 3.51Å; Y183-F385 HydrophobicContact CD1-CG 4.34Å; Y183-F385 HydrophobicContact CD1-CZ 4.39Å; Y183-F385 HydrophobicContact CE1-CD2 4.05Å; Y183-F385 HydrophobicContact CE1-CE2 4.02Å; Y183-F385 HydrophobicContact CE1-CZ 4.5Å; Y183-M388 HydrophobicContact CD2-CE 4.19Å; Y183-M388 HydrophobicContact CE1-CB 3.95Å; Y183-M388 HydrophobicContact CE2-CE 3.92Å; Y183-M388 VanDerWaalsContact OH-C 3.23Å; Y183-M388 PolarHBondContact OH-O 3.4Å; Y183-F389 HydrophobicContact CE1-CB 4.1Å; Y183-F389 HydrophobicContact CE1-CD2 4.21Å; Y183-F389 WeakPolarHBondContact OH-CA 3.43Å; Y183-F389 PolarHBondContact OH-N 3.18Å; Y183-A393 WeakPolarHBondContact CE2-O 3.2Å; Y183-A393 PolarHBondContact OH-O 3.3Å; Y183-L395 HydrophobicContact CE1-CD2 4.38Å; Y183-L395 HydrophobicContact CE2-CD2 3.96Å; Y183-Y398 HydrophobicContact CD2-CD2 4.29Å; Y183-Y398 AromaticContact CD2-CE2 3.67Å; Y183-Y398 HydrophobicContact CD2-CE2 3.67Å; Y183-Y398 AromaticContact CD2-CZ 3.98Å; Y183-Y398 HydrophobicContact CE2-CE2 4.47Å; Y183-Y398 HydrophobicContact CG-CE2 4.48Å; Y183-F408 HydrophobicContact CD1-CD1 4.14Å; Y183-F408 AromaticContact CD1-CE1 3.89Å; Y183-F408 HydrophobicContact CD1-CE1 3.89Å; Y183-F408 HydrophobicContact CD2-CE1 4.16Å; Y183-F408 HydrophobicContact CE1-CD1 4.45Å; Y183-F408 HydrophobicContact CE1-CE1 4.37Å; Y183-F408 HydrophobicContact CG-CD1 4.47Å; Y183-F408 AromaticContact CG-CE1 3.78Å; Y183-F408 HydrophobicContact CG-CE1 3.78Å
184	N	97.9	Very high	93.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.7	-43.3	179.2	-65.1	-12.8	0	0	0	111.6	N99 W101 L139 G140 V180 E181 S188 Y398	N99-N184 PolarHBondContact O-ND2 3.29Å; W101-N184 HydrophobicContact CB-CB 4.19Å; W101-N184 WeakPolarHBondContact CB-OD1 3.49Å; W101-N184 PolarHBondContact N-OD1 3.26Å; L139-N184 CarbonylContact O-C 3.48Å; L139-N184 VanDerWaalsContact O-CB 3.24Å; L139-N184 WeakPolarHBondContact O-CB 3.03Å; G140-N184 PolarHBondContact O-ND2 3.29Å; V180-N184 PolarHBondContact O-N 2.83Å; E181-N184 PolarHBondContact O-N 3.2Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.42Å; N184-S188 PolarHBondContact O-N 3.03Å; N184-S188 PolarHBondContact O-OG 3.4Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.24Å; N184-Y398 PolarHBondContact OD1-OH 3.06Å
185	A	97.6	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.5	-44.8	-179.4	0	0	0	0	0	111.7	L139 P171 E181 Y183 S188 V189 I381	L139-A185 HydrophobicContact CB-CB 4.29Å; L139-A185 WeakPolarHBondContact O-CA 3.4Å; L139-A185 PolarHBondContact O-N 2.94Å; L139-A185 VanDerWaalsContact O-N 3.08Å; P171-A185 HydrophobicContact CG-CB 3.85Å; E181-A185 VanDerWaalsContact O-CB 3.29Å; E181-A185 WeakPolarHBondContact O-CB 3.4Å; E181-A185 PolarHBondContact O-N 3.35Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 3.22Å; A185-S188 PolarHBondContact O-N 3.01Å; A185-V189 VanDerWaalsContact O-CG2 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.26Å; A185-V189 PolarHBondContact O-N 3.2Å; A185-I381 HydrophobicContact CB-CD1 4.33Å; A185-I381 HydrophobicContact CB-CG2 3.89Å
186	T	97.9	Very high	95.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-48.2	178.9	-59.4	0	0	0	0	111.5	P182 Y183 S188 V189 H190 I381 F385 A411 M415	P182-T186 WeakPolarHBondContact O-CB 3.4Å; P182-T186 PolarHBondContact O-N 3.19Å; P182-T186 PolarHBondContact O-OG1 3.15Å; Y183-T186 PolarHBondContact O-N 3.05Å; T186-S188 VanDerWaalsContact C-N 3.28Å; T186-S188 PolarHBondContact O-N 3.41Å; T186-V189 PolarHBondContact O-N 2.8Å; T186-H190 PolarHBondContact O-N 3.18Å; T186-I381 WeakPolarHBondContact OG1-CG2 3.28Å; T186-F385 VanDerWaalsContact CB-CD2 3.48Å; T186-F385 HydrophobicContact CG2-CD2 3.68Å; T186-F385 HydrophobicContact CG2-CE2 3.72Å; T186-F385 HydrophobicContact CG2-CG 4.23Å; T186-F385 HydrophobicContact CG2-CZ 4.31Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.16Å; T186-A411 HydrophobicContact CG2-CB 4Å; T186-M415 HydrophobicContact CG2-CE 3.7Å
187	L	98.3	Very high	96	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-36.1	177.6	-64.5	168.5	0	0	0	111.9	W101 Y183 Q191 Y398 M403 F408 A411	W101-L187 HydrophobicContact CB-CD1 4.27Å; W101-L187 HydrophobicContact CD2-CB 3.82Å; W101-L187 HydrophobicContact CD2-CD1 3.86Å; W101-L187 HydrophobicContact CD2-CG 4.46Å; W101-L187 HydrophobicContact CE3-CB 4.26Å; W101-L187 HydrophobicContact CE3-CD1 3.68Å; W101-L187 HydrophobicContact CE3-CG 4.49Å; W101-L187 HydrophobicContact CG-CB 4.09Å; W101-L187 HydrophobicContact CG-CD1 4.1Å; W101-L187 HydrophobicContact CZ2-CB 4.24Å; W101-L187 HydrophobicContact CZ3-CD1 4.34Å; Y183-L187 VanDerWaalsContact O-CG 3.27Å; Y183-L187 WeakPolarHBondContact O-CG 3.47Å; Y183-L187 PolarHBondContact O-N 3.26Å; L187-Q191 PolarHBondContact O-N 3.19Å; L187-Y398 HydrophobicContact CD1-CD1 4.19Å; L187-Y398 HydrophobicContact CD1-CE1 4.12Å; L187-M403 HydrophobicContact CD1-CE 3.63Å; L187-M403 HydrophobicContact CD1-SD 4.04Å; L187-M403 HydrophobicContact CD2-CE 3.36Å; L187-M403 HydrophobicContact CG-CE 4.13Å; L187-F408 HydrophobicContact CD1-CE1 4.04Å; L187-F408 HydrophobicContact CD1-CZ 4.34Å; L187-A411 HydrophobicContact CD2-CB 3.81Å
188	S	98.3	Very high	96.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.4	-43.4	177.3	-56.7	0	0	0	0	112.7	S145 N184 A185 T186 H190 Q191 L192	S145-S188 WeakPolarHBondContact CB-OG 3.42Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.42Å; N184-S188 PolarHBondContact O-N 3.03Å; N184-S188 PolarHBondContact O-OG 3.4Å; A185-S188 PolarHBondContact O-N 3.01Å; T186-S188 VanDerWaalsContact C-N 3.28Å; T186-S188 PolarHBondContact O-N 3.41Å; S188-H190 PolarHBondContact O-N 3.12Å; S188-Q191 PolarHBondContact O-N 3.41Å; S188-Q191 VanDerWaalsContact O-N 3.12Å; S188-L192 VanDerWaalsContact O-CG 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.33Å; S188-L192 PolarHBondContact O-N 3.47Å
189	V	98	Very high	97.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-57.9	-43	176.2	169.1	0	0	0	0	109.8	L139 A185 T186 Q191 L192 V193 F378 M415 L418	L139-V189 HydrophobicContact CD1-CG2 4.21Å; A185-V189 VanDerWaalsContact O-CG2 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.26Å; A185-V189 PolarHBondContact O-N 3.2Å; T186-V189 PolarHBondContact O-N 2.8Å; V189-Q191 VanDerWaalsContact C-N 3.32Å; V189-Q191 PolarHBondContact O-N 3.35Å; V189-L192 PolarHBondContact O-N 3.05Å; V189-L192 VanDerWaalsContact O-N 3.09Å; V189-V193 HydrophobicContact CG1-CG2 4.23Å; V189-V193 VanDerWaalsContact O-CG2 3.32Å; V189-V193 WeakPolarHBondContact O-CG2 3.48Å; V189-V193 PolarHBondContact O-N 2.96Å; V189-F378 HydrophobicContact CG1-CD1 4.16Å; V189-F378 HydrophobicContact CG1-CE1 4.05Å; V189-F378 HydrophobicContact CG2-CD1 4.36Å; V189-F378 HydrophobicContact CG2-CE1 4.19Å; V189-M415 HydrophobicContact CG1-CG 4.48Å; V189-L418 HydrophobicContact CG1-CD2 4.49Å
190	H	97.8	Very high	97.5	Very high	42 Å²	42	15 Å²	15	19%	0.194	8%	0.075	C	C	.	.	H	α-helix	trans	-53.6	-47.9	174.7	175.1	86	0	0	0	112.1	T186 S188 A411 N414	T186-H190 PolarHBondContact O-N 3.18Å; S188-H190 PolarHBondContact O-N 3.12Å; H190-A411 HydrophobicContact CB-CB 3.71Å; H190-N414 WeakPolarHBondContact ND1-CB 3.45Å; H190-N414 PolarHBondContact ND1-ND2 3.46Å
191	Q	97.9	Very high	97.6	Very high	37 Å²	37	15 Å²	15	17%	0.173	8%	0.075	C	C	.	.	H	α-helix	trans	-68.2	-34.8	176.8	-64.8	-63.2	-38.1	0	0	113.2	W101 T149 S153 L187 S188 V189 N195	W101-Q191 HydrophobicContact CZ2-CG 4.19Å; T149-Q191 HydrophobicContact CG2-CB 3.92Å; S153-Q191 PolarHBondContact OG-OE1 2.92Å; L187-Q191 PolarHBondContact O-N 3.19Å; S188-Q191 PolarHBondContact O-N 3.41Å; S188-Q191 VanDerWaalsContact O-N 3.12Å; V189-Q191 VanDerWaalsContact C-N 3.32Å; V189-Q191 PolarHBondContact O-N 3.35Å; Q191-N195 WeakPolarHBondContact O-CB 3.44Å; Q191-N195 PolarHBondContact O-N 2.83Å; Q191-N195 PolarHBondContact O-ND2 2.93Å; Q191-N195 PolarHBondContact OE1-ND2 3.4Å
192	L	98.3	Very high	97.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-67.5	-40.8	179.4	-69.6	170.4	0	0	0	112.1	L139 I152 T166 S188 V189 E194 T196 T199 H264 F265	L139-L192 HydrophobicContact CD1-CD1 4.06Å; L139-L192 HydrophobicContact CD2-CD1 3.71Å; I152-L192 HydrophobicContact CD1-CD2 3.56Å; T166-L192 HydrophobicContact CG2-CD2 4Å; S188-L192 VanDerWaalsContact O-CG 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.33Å; S188-L192 PolarHBondContact O-N 3.47Å; V189-L192 PolarHBondContact O-N 3.05Å; V189-L192 VanDerWaalsContact O-N 3.09Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 2.8Å; L192-T196 HydrophobicContact CB-CG2 4.47Å; L192-T196 HydrophobicContact CD2-CG2 3.54Å; L192-T196 PolarHBondContact O-N 2.9Å; L192-T196 VanDerWaalsContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 2.91Å; L192-T199 HydrophobicContact CD1-CG2 4.3Å; L192-H264 PolarHBondContact O-CE1 3.4Å; L192-H264 VanDerWaalsContact O-CE1 3.26Å; L192-H264 PolarHBondContact O-NE2 3.07Å; L192-F265 HydrophobicContact CB-CE1 4.23Å; L192-F265 HydrophobicContact CB-CZ 4.27Å
193	V	97.7	Very high	97.7	Very high	8 Å²	8	13.6 Å²	13.6	5%	0.048	7%	0.068	C	C	.	.	H	α-helix	trans	-55.4	-46.8	177.4	173.7	0	0	0	0	110.3	V189 R262 H264 F265 L418	V189-V193 HydrophobicContact CG1-CG2 4.23Å; V189-V193 VanDerWaalsContact O-CG2 3.32Å; V189-V193 WeakPolarHBondContact O-CG2 3.48Å; V189-V193 PolarHBondContact O-N 2.96Å; V193-R262 HydrophobicContact CG1-CG 4.17Å; V193-H264 PolarHBondContact O-NE2 2.83Å; V193-F265 HydrophobicContact CG2-CE2 3.87Å; V193-F265 HydrophobicContact CG2-CZ 3.72Å; V193-L418 HydrophobicContact CG2-CD2 3.76Å
194	E	96	Very high	97.6	Very high	106 Å²	106	14.3 Å²	14.3	50%	0.495	7%	0.071	S	C	.	.	H	α-helix	trans	-81.3	-31.1	-173.1	-57.6	-56.3	140.8	0	0	113.8	L192 R262 N414	L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 2.8Å; E194-R262 IonicContact OE1-NH1 3.44Å; E194-R262 PolarHBondContact OE1-NH1 3.17Å; E194-N414 PolarHBondContact OE1-ND2 2.79Å
195	N	97.7	Very high	97.4	Very high	28 Å²	28	15.6 Å²	15.6	15%	0.15	8%	0.077	C	C	.	.	H	α-helix	trans	-117.5	-2.5	-164.6	-59.8	-78.7	0	0	0	115.4	I152 S153 R156 Q191	I152-N195 HydrophobicContact CG2-CB 3.43Å; I152-N195 VanDerWaalsContact CG2-CB 3.43Å; S153-N195 PolarHBondContact OG-ND2 2.79Å; R156-N195 PolarHBondContact NE-O 2.76Å; R156-N195 PolarHBondContact NH2-O 2.7Å; Q191-N195 WeakPolarHBondContact O-CB 3.44Å; Q191-N195 PolarHBondContact O-N 2.83Å; Q191-N195 PolarHBondContact O-ND2 2.93Å; Q191-N195 PolarHBondContact OE1-ND2 3.4Å
196	T	97.9	Very high	97.4	Very high	7 Å²	7	16 Å²	16	4%	0.043	8%	0.081	C	C	.	.			trans	-115	152.2	179.4	67.7	0	0	0	0	112.4	I152 M164 T166 L192 T199 H264	I152-T196 HydrophobicContact CD1-CG2 3.99Å; I152-T196 HydrophobicContact CG2-CG2 3.85Å; M164-T196 HydrophobicContact CG-CG2 3.96Å; T166-T196 HydrophobicContact CG2-CG2 3.58Å; L192-T196 HydrophobicContact CB-CG2 4.47Å; L192-T196 HydrophobicContact CD2-CG2 3.54Å; L192-T196 PolarHBondContact O-N 2.9Å; L192-T196 VanDerWaalsContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 2.91Å; T196-T199 PolarHBondContact OG1-OG1 2.99Å; T196-H264 PolarHBondContact O-CD2 2.85Å; T196-H264 PolarHBondContact O-NE2 2.93Å; T196-H264 VanDerWaalsContact O-NE2 3.14Å; T196-H264 PolarHBondContact OG1-CE1 3.23Å
197	D	97.7	Very high	97.3	Very high	46 Å²	46	16.1 Å²	16.1	25%	0.246	8%	0.081	C	C	.	.	S	Bend	trans	-103.1	-23.8	175.9	-49.4	-72	0	0	0	112.3	R156 I163 M164 H264	R156-D197 IonicContact CZ-OD1 3.16Å; R156-D197 IonicContact CZ-OD2 2.71Å; R156-D197 IonicContact NH1-OD1 2.89Å; R156-D197 PolarHBondContact NH1-OD1 3.2Å; R156-D197 IonicContact NH1-OD2 3.25Å; R156-D197 PolarHBondContact NH1-OD2 3.48Å; R156-D197 VanDerWaalsContact NH1-OD2 3.1Å; R156-D197 IonicContact NH2-OD1 3.1Å; R156-D197 PolarHBondContact NH2-OD1 3.29Å; R156-D197 IonicContact NH2-OD2 3.24Å; R156-D197 PolarHBondContact NH2-OD2 3.24Å; I163-D197 VanDerWaalsContact CA-OD2 3.26Å; I163-D197 WeakPolarHBondContact CA-OD2 3.49Å; I163-D197 HydrophobicContact CD1-CB 4.16Å; I163-D197 HydrophobicContact CG2-CB 4.17Å; M164-D197 PolarHBondContact N-OD2 2.72Å; M164-D197 PolarHBondContact O-N 2.97Å; D197-H264 VanDerWaalsContact O-CB 3.23Å; D197-H264 WeakPolarHBondContact O-CB 3.34Å
198	E	97.4	Very high	97.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	119.5	-179.8	-64.8	-176.8	-174.6	0	0	108.7	M164 N165 T166 Y200 A254 F266	M164-E198 PolarHBondContact O-N 3.05Å; N165-E198 CarbonylContact C-O 3.59Å; N165-E198 VanDerWaalsContact CA-O 3.31Å; N165-E198 WeakPolarHBondContact CA-O 3.46Å; N165-E198 HydrophobicContact CB-CB 4.12Å; N165-E198 WeakPolarHBondContact OD1-CB 3.41Å; N165-E198 PolarHBondContact OD1-O 2.7Å; N165-E198 VanDerWaalsContact OD1-O 3.11Å; T166-E198 PolarHBondContact N-O 2.59Å; E198-Y200 HydrophobicContact CB-CE2 4.32Å; E198-A254 HydrophobicContact CG-CB 4.11Å; E198-A254 WeakPolarHBondContact OE1-CA 3.43Å; E198-A254 WeakPolarHBondContact OE1-CB 3.28Å; E198-A254 PolarHBondContact OE1-N 2.89Å; E198-F266 HydrophobicContact CB-CD2 4.5Å; E198-F266 HydrophobicContact CB-CE2 3.78Å; E198-F266 HydrophobicContact CG-CE2 3.84Å; E198-F266 HydrophobicContact CG-CZ 4.36Å
199	T	98.2	Very high	97	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	106.3	177	-71.9	0	0	0	0	110.9	T166 L192 T196 C201 H264 F265 F266	T166-T199 WeakPolarHBondContact OG1-CG2 3.41Å; T166-T199 PolarHBondContact OG1-OG1 3.11Å; T166-T199 VanDerWaalsContact OG1-OG1 3.08Å; L192-T199 HydrophobicContact CD1-CG2 4.3Å; T196-T199 PolarHBondContact OG1-OG1 2.99Å; T199-C201 PolarHBondContact O-N 2.97Å; T199-H264 PolarHBondContact N-O 2.68Å; T199-F265 HydrophobicContact CG2-CD1 3.5Å; T199-F265 HydrophobicContact CG2-CE1 3.72Å; T199-F265 CarbonylContact O-C 3.56Å; T199-F265 WeakPolarHBondContact O-CA 3.3Å; T199-F266 PolarHBondContact O-N 2.9Å
200	Y	98.3	Very high	96.8	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	108.2	172.5	-64.3	-91.5	0	0	0	109.6	N165 T166 F167 S168 E198 V236 L253 F266 P268 I368	N165-Y200 WeakPolarHBondContact OD1-CD2 3.47Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.23Å; T166-Y200 WeakPolarHBondContact O-CD2 3.04Å; T166-Y200 PolarHBondContact O-N 3.02Å; F167-Y200 HydrophobicContact CD1-CD2 4.07Å; F167-Y200 AromaticContact CD1-CG 3.88Å; F167-Y200 HydrophobicContact CD1-CG 3.88Å; F167-Y200 HydrophobicContact CE1-CD1 4.21Å; F167-Y200 AromaticContact CE1-CD2 3.75Å; F167-Y200 HydrophobicContact CE1-CD2 3.75Å; F167-Y200 HydrophobicContact CE1-CE2 4.38Å; F167-Y200 AromaticContact CE1-CG 3.67Å; F167-Y200 HydrophobicContact CE1-CG 3.67Å; F167-Y200 HydrophobicContact CZ-CD2 4.13Å; F167-Y200 HydrophobicContact CZ-CE2 4.44Å; F167-Y200 HydrophobicContact CZ-CG 4.48Å; S168-Y200 PolarHBondContact N-O 3.06Å; E198-Y200 HydrophobicContact CB-CE2 4.32Å; Y200-V236 HydrophobicContact CD1-CG1 4.5Å; Y200-V236 HydrophobicContact CD1-CG2 4.23Å; Y200-V236 HydrophobicContact CE1-CB 4.45Å; Y200-V236 HydrophobicContact CE1-CG1 3.67Å; Y200-V236 HydrophobicContact CE1-CG2 3.84Å; Y200-V236 HydrophobicContact CE2-CG1 4.07Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.44Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.18Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.29Å; Y200-F266 HydrophobicContact CD1-CB 4.03Å; Y200-F266 HydrophobicContact CD1-CD2 4.09Å; Y200-F266 HydrophobicContact CD2-CD2 4.38Å; Y200-F266 HydrophobicContact CE1-CB 4.27Å; Y200-F266 AromaticContact CE1-CD2 3.76Å; Y200-F266 HydrophobicContact CE1-CD2 3.76Å; Y200-F266 HydrophobicContact CE1-CG 4.42Å; Y200-F266 HydrophobicContact CE2-CD2 4.03Å; Y200-F266 HydrophobicContact CE2-CE2 4.44Å; Y200-F266 HydrophobicContact CG-CD2 4.39Å; Y200-F266 AromaticContact CZ-CD2 3.7Å; Y200-P268 HydrophobicContact CD1-CB 4.18Å; Y200-P268 HydrophobicContact CD1-CG 4.47Å; Y200-I368 HydrophobicContact CD1-CG2 4.45Å; Y200-I368 HydrophobicContact CE1-CD1 4.01Å; Y200-I368 HydrophobicContact CE1-CG1 4.08Å; Y200-I368 HydrophobicContact CE1-CG2 3.7Å
201	C	98	Very high	96.7	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.027	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.1	178.8	-66.3	0	0	0	0	111.1	T199 F266 P268 I374 L377	T199-C201 PolarHBondContact O-N 2.97Å; C201-F266 PolarHBondContact N-O 2.86Å; C201-P268 WeakPolarHBondContact O-CD 3.39Å; C201-I374 HydrophobicContact CB-CD1 4.04Å; C201-L377 HydrophobicContact CB-CD2 3.91Å
202	I	97.6	Very high	96.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	99.4	-178.7	-59.5	-177.5	0	0	0	108.5	F167 S168 V169 V170 L207 V229 P268 M300	F167-I202 HydrophobicContact CB-CD1 4.16Å; F167-I202 HydrophobicContact CD1-CD1 4.19Å; S168-I202 PolarHBondContact O-N 3.06Å; V169-I202 CarbonylContact C-O 3.54Å; V169-I202 WeakPolarHBondContact CA-O 3.32Å; V169-I202 HydrophobicContact CG2-CB 4.32Å; V169-I202 HydrophobicContact CG2-CG2 4.27Å; V170-I202 PolarHBondContact N-O 3.11Å; I202-L207 HydrophobicContact CG2-CD1 3.56Å; I202-L207 HydrophobicContact CG2-CD2 4.25Å; I202-L207 HydrophobicContact CG2-CG 4.09Å; I202-V229 HydrophobicContact CD1-CB 4.48Å; I202-V229 HydrophobicContact CD1-CG1 3.51Å; I202-V229 HydrophobicContact CD1-CG2 4.32Å; I202-V229 HydrophobicContact CG2-CG2 3.55Å; I202-P268 HydrophobicContact CG1-CG 4.32Å; I202-M300 CarbonylContact C-O 3.51Å
203	D	96.4	Very high	96.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.9	-176.8	-173.3	0.3	0	0	0	111.9	E205 A206 L207 M300 A302 L377 R380	D203-E205 PolarHBondContact O-N 2.79Å; D203-E205 VanDerWaalsContact O-N 3.15Å; D203-E205 WeakPolarHBondContact OD1-CB 3.5Å; D203-E205 PolarHBondContact OD1-N 3Å; D203-A206 HydrophobicContact CB-CB 4.16Å; D203-A206 PolarHBondContact O-N 3.32Å; D203-L207 WeakPolarHBondContact O-CG 3.49Å; D203-L207 PolarHBondContact O-N 2.72Å; D203-M300 WeakPolarHBondContact CA-O 3.41Å; D203-M300 WeakPolarHBondContact CB-O 3.26Å; D203-M300 PolarHBondContact N-O 2.92Å; D203-A302 WeakPolarHBondContact OD2-CB 3.26Å; D203-A302 PolarHBondContact OD2-N 3.21Å; D203-L377 HydrophobicContact CB-CD1 4.3Å; D203-R380 IonicContact OD1-CZ 2.67Å; D203-R380 IonicContact OD1-NH1 3.88Å; D203-R380 IonicContact OD1-NH2 2.59Å; D203-R380 PolarHBondContact OD1-NH2 2.99Å; D203-R380 IonicContact OD2-CZ 3.45Å; D203-R380 VanDerWaalsContact OD2-CZ 3.24Å; D203-R380 IonicContact OD2-NH1 2.7Å; D203-R380 PolarHBondContact OD2-NH1 3.46Å; D203-R380 IonicContact OD2-NH2 3.47Å; D203-R380 PolarHBondContact OD2-NH2 2.96Å
204	N	94.9	Very high	96.1	Very high	14 Å²	14	31.8 Å²	31.8	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-56.3	-30.3	174.7	-82.4	-26.4	0	0	0	112.6	V169 V170 V175 Y208	V169-N204 WeakPolarHBondContact CG1-OD1 3.3Å; V170-N204 PolarHBondContact O-N 2.99Å; V170-N204 VanDerWaalsContact O-N 3.15Å; V175-N204 HydrophobicContact CB-CB 4.27Å; V175-N204 HydrophobicContact CG1-CB 4.32Å; V175-N204 HydrophobicContact CG2-CB 4.24Å; N204-Y208 VanDerWaalsContact O-CB 3.26Å; N204-Y208 WeakPolarHBondContact O-CB 3.32Å; N204-Y208 PolarHBondContact O-N 3.34Å
205	E	94.5	Very high	96	Very high	28 Å²	28	28.6 Å²	28.6	13%	0.131	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-48.5	175	-170.8	158.4	155.7	0	0	111.8	S172 K174 D203 Y208 D209 A302 R380	S172-E205 PolarHBondContact OG-OE2 2.91Å; S172-E205 VanDerWaalsContact OG-OE2 3.05Å; K174-E205 HydrophobicContact CD-CG 4.17Å; K174-E205 IonicContact NZ-OE1 3.28Å; K174-E205 PolarHBondContact NZ-OE1 3.01Å; K174-E205 IonicContact NZ-OE2 2.84Å; D203-E205 PolarHBondContact O-N 2.79Å; D203-E205 VanDerWaalsContact O-N 3.15Å; D203-E205 WeakPolarHBondContact OD1-CB 3.5Å; D203-E205 PolarHBondContact OD1-N 3Å; E205-Y208 PolarHBondContact O-N 2.55Å; E205-D209 PolarHBondContact O-N 3.22Å; E205-A302 HydrophobicContact CB-CB 4.22Å; E205-A302 HydrophobicContact CG-CB 4.29Å; E205-R380 IonicContact OE2-CZ 3.93Å; E205-R380 IonicContact OE2-NH1 3.81Å; E205-R380 PolarHBondContact OE2-NH1 3.42Å
206	A	95.8	Very high	95.8	Very high	9 Å²	9	34.1 Å²	34.1	7%	0.074	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-43.3	179.1	0	0	0	0	0	111.5	D203 Y208 D209 I210 A302	D203-A206 HydrophobicContact CB-CB 4.16Å; D203-A206 PolarHBondContact O-N 3.32Å; A206-Y208 VanDerWaalsContact C-N 3.33Å; A206-Y208 PolarHBondContact O-N 2.91Å; A206-D209 PolarHBondContact O-N 2.81Å; A206-I210 WeakPolarHBondContact O-CG1 3.4Å; A206-I210 PolarHBondContact O-N 3.11Å; A206-A302 HydrophobicContact CB-CB 4.14Å
207	L	96.2	Very high	95.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-45.3	176.1	-66.2	177.8	0	0	0	111.6	I202 D203 I210 C211 L225 L228 V229 M300	I202-L207 HydrophobicContact CG2-CD1 3.56Å; I202-L207 HydrophobicContact CG2-CD2 4.25Å; I202-L207 HydrophobicContact CG2-CG 4.09Å; D203-L207 WeakPolarHBondContact O-CG 3.49Å; D203-L207 PolarHBondContact O-N 2.72Å; L207-I210 PolarHBondContact O-N 3.39Å; L207-C211 WeakPolarHBondContact O-CB 3.39Å; L207-C211 PolarHBondContact O-N 3.44Å; L207-C211 PolarHBondContact O-SG 2.81Å; L207-C211 VanDerWaalsContact O-SG 3.4Å; L207-L225 HydrophobicContact CB-CB 4.47Å; L207-L225 HydrophobicContact CB-CD2 4.14Å; L207-L225 HydrophobicContact CB-CG 3.94Å; L207-L225 HydrophobicContact CD1-CB 4.28Å; L207-L228 HydrophobicContact CD2-CB 4.45Å; L207-L228 HydrophobicContact CD2-CD2 3.63Å; L207-L228 HydrophobicContact CD2-CG 3.99Å; L207-V229 HydrophobicContact CD1-CG2 3.58Å; L207-V229 HydrophobicContact CD2-CG2 3.98Å; L207-V229 HydrophobicContact CG-CG2 4.45Å; L207-M300 HydrophobicContact CD2-CB 4.24Å; L207-M300 HydrophobicContact CD2-CG 4.07Å; L207-M300 HydrophobicContact CD2-SD 3.86Å
208	Y	94.8	Very high	95.3	Very high	79 Å²	79	39.1 Å²	39.1	31%	0.31	19%	0.186	S	C	.	.	H	α-helix	trans	-61.6	-46	177.3	-174.3	-86.2	0	0	0	111.4	V175 N204 E205 A206 I210 C211 F212 P220	V175-Y208 HydrophobicContact CG2-CD2 4.28Å; V175-Y208 HydrophobicContact CG2-CG 4.19Å; N204-Y208 VanDerWaalsContact O-CB 3.26Å; N204-Y208 WeakPolarHBondContact O-CB 3.32Å; N204-Y208 PolarHBondContact O-N 3.34Å; E205-Y208 PolarHBondContact O-N 2.55Å; A206-Y208 VanDerWaalsContact C-N 3.33Å; A206-Y208 PolarHBondContact O-N 2.91Å; Y208-I210 PolarHBondContact O-N 2.87Å; Y208-C211 PolarHBondContact O-N 3.09Å; Y208-F212 HydrophobicContact CD1-CB 4.38Å; Y208-F212 HydrophobicContact CE1-CB 4.13Å; Y208-F212 HydrophobicContact CE1-CG 4.38Å; Y208-F212 VanDerWaalsContact O-CB 3.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.43Å; Y208-F212 PolarHBondContact O-N 3.1Å; Y208-P220 HydrophobicContact CD2-CB 4.03Å; Y208-P220 HydrophobicContact CD2-CG 4.2Å; Y208-P220 HydrophobicContact CE2-CB 4.01Å; Y208-P220 HydrophobicContact CE2-CG 3.92Å
209	D	94.9	Very high	95	Very high	46 Å²	46	44.1 Å²	44.1	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-38.1	178.2	-93.4	-25.4	0	0	0	112.4	E205 A206 R213	E205-D209 PolarHBondContact O-N 3.22Å; A206-D209 PolarHBondContact O-N 2.81Å; D209-R213 WeakPolarHBondContact O-CA 3.4Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.33Å; D209-R213 WeakPolarHBondContact O-CG 3.46Å; D209-R213 PolarHBondContact O-N 2.78Å; D209-R213 IonicContact OD1-CZ 3.5Å; D209-R213 VanDerWaalsContact OD1-CZ 3.25Å; D209-R213 IonicContact OD1-NE 3.71Å; D209-R213 PolarHBondContact OD1-NE 2.98Å; D209-R213 IonicContact OD1-NH2 3.23Å; D209-R213 PolarHBondContact OD1-NH2 2.94Å; D209-R213 IonicContact OD2-CZ 2.89Å; D209-R213 IonicContact OD2-NE 2.84Å; D209-R213 IonicContact OD2-NH2 2.73Å; D209-R213 PolarHBondContact OD2-NH2 2.74Å
210	I	95.7	Very high	94.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.223	C	C	.	.	I	π-helix	trans	-61	-51.2	172.7	-71.5	165.1	0	0	0	110.3	A206 L207 Y208 F212 T214 L215 L228 L273 K297 M300	A206-I210 WeakPolarHBondContact O-CG1 3.4Å; A206-I210 PolarHBondContact O-N 3.11Å; L207-I210 PolarHBondContact O-N 3.39Å; Y208-I210 PolarHBondContact O-N 2.87Å; I210-F212 PolarHBondContact O-N 3.41Å; I210-T214 WeakPolarHBondContact O-CA 3.21Å; I210-T214 VanDerWaalsContact O-CB 3.27Å; I210-T214 WeakPolarHBondContact O-CB 3.23Å; I210-T214 PolarHBondContact O-N 2.9Å; I210-L215 HydrophobicContact CG2-CD1 4.39Å; I210-L215 HydrophobicContact CG2-CG 4.28Å; I210-L215 PolarHBondContact O-N 3.33Å; I210-L228 HydrophobicContact CB-CD2 3.94Å; I210-L228 HydrophobicContact CD1-CD2 3.96Å; I210-L228 HydrophobicContact CG2-CD2 3.53Å; I210-L273 HydrophobicContact CD1-CD1 4.34Å; I210-L273 HydrophobicContact CG1-CD1 4.45Å; I210-L273 HydrophobicContact CG2-CD1 3.8Å; I210-L273 HydrophobicContact CG2-CD2 4.11Å; I210-L273 HydrophobicContact CG2-CG 4.47Å; I210-K297 VanDerWaalsContact CG1-O 3.22Å; I210-K297 WeakPolarHBondContact CG1-O 3.35Å; I210-M300 HydrophobicContact CD1-CG 4.47Å
211	C	95	Very high	94.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-60.3	-46.2	180	-74.5	0	0	0	0	111.7	L207 Y208 L215 K216 L217 P220	L207-C211 WeakPolarHBondContact O-CB 3.39Å; L207-C211 PolarHBondContact O-N 3.44Å; L207-C211 PolarHBondContact O-SG 2.81Å; L207-C211 VanDerWaalsContact O-SG 3.4Å; Y208-C211 PolarHBondContact O-N 3.09Å; C211-L215 CarbonylContact O-C 3.57Å; C211-L215 WeakPolarHBondContact O-CB 3.32Å; C211-K216 PolarHBondContact O-N 3.27Å; C211-L217 HydrophobicContact CB-CD1 4.07Å; C211-L217 WeakPolarHBondContact O-CB 3.25Å; C211-L217 WeakPolarHBondContact O-CG 3.41Å; C211-L217 PolarHBondContact O-N 3.4Å; C211-P220 HydrophobicContact CB-CB 3.66Å; C211-P220 HydrophobicContact CB-CG 3.75Å
212	F	94.4	Very high	94.2	Very high	97 Å²	97	53.6 Å²	53.6	43%	0.425	26%	0.264	S	S	.	.	I	π-helix	trans	-74.4	-51.8	-175.7	-176.1	-110.2	0	0	0	112.6	Y208 I210 K216 L217 P220	Y208-F212 HydrophobicContact CD1-CB 4.38Å; Y208-F212 HydrophobicContact CE1-CB 4.13Å; Y208-F212 HydrophobicContact CE1-CG 4.38Å; Y208-F212 VanDerWaalsContact O-CB 3.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.43Å; Y208-F212 PolarHBondContact O-N 3.1Å; I210-F212 PolarHBondContact O-N 3.41Å; F212-K216 VanDerWaalsContact O-CA 3.29Å; F212-K216 WeakPolarHBondContact O-CA 3.28Å; F212-K216 PolarHBondContact O-N 3.12Å; F212-L217 VanDerWaalsContact CD2-O 3.29Å; F212-L217 WeakPolarHBondContact CD2-O 3.37Å; F212-P220 HydrophobicContact CB-CG 3.99Å
213	R	93.6	Very high	94	Very high	164 Å²	164	55.9 Å²	55.9	62%	0.619	29%	0.288	S	S	*	.	I	π-helix	trans	-88	-46.3	-171.7	-55.1	-175	-165.6	-169	10.5	112.6	D209	D209-R213 WeakPolarHBondContact O-CA 3.4Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.33Å; D209-R213 WeakPolarHBondContact O-CG 3.46Å; D209-R213 PolarHBondContact O-N 2.78Å; D209-R213 IonicContact OD1-CZ 3.5Å; D209-R213 VanDerWaalsContact OD1-CZ 3.25Å; D209-R213 IonicContact OD1-NE 3.71Å; D209-R213 PolarHBondContact OD1-NE 2.98Å; D209-R213 IonicContact OD1-NH2 3.23Å; D209-R213 PolarHBondContact OD1-NH2 2.94Å; D209-R213 IonicContact OD2-CZ 2.89Å; D209-R213 IonicContact OD2-NE 2.84Å; D209-R213 IonicContact OD2-NH2 2.73Å; D209-R213 PolarHBondContact OD2-NH2 2.74Å
214	T	93.3	Very high	93.9	Very high	35 Å²	35	58 Å²	58	22%	0.215	30%	0.299	C	S	.	.	I	π-helix	trans	-84.4	-49	-172.7	-54.9	0	0	0	0	111.3	I210 K216 L273	I210-T214 WeakPolarHBondContact O-CA 3.21Å; I210-T214 VanDerWaalsContact O-CB 3.27Å; I210-T214 WeakPolarHBondContact O-CB 3.23Å; I210-T214 PolarHBondContact O-N 2.9Å; T214-K216 VanDerWaalsContact C-N 3.32Å; T214-L273 HydrophobicContact CG2-CB 3.75Å
215	L	93.7	Very high	94	Very high	39 Å²	39	57.5 Å²	57.5	20%	0.204	30%	0.296	C	S	.	.	S	Bend	trans	-82.7	-11	178.7	-56.4	-177.8	0	0	0	113.1	I210 C211 L217 L273 S275	I210-L215 HydrophobicContact CG2-CD1 4.39Å; I210-L215 HydrophobicContact CG2-CG 4.28Å; I210-L215 PolarHBondContact O-N 3.33Å; C211-L215 CarbonylContact O-C 3.57Å; C211-L215 WeakPolarHBondContact O-CB 3.32Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 HydrophobicContact CB-CD1 4.49Å; L215-L217 HydrophobicContact CB-CG 4.08Å; L215-L217 PolarHBondContact O-N 2.97Å; L215-L273 HydrophobicContact CD2-CB 4.27Å; L215-L273 HydrophobicContact CD2-CD2 4.38Å; L215-S275 VanDerWaalsContact O-CB 3.29Å; L215-S275 WeakPolarHBondContact O-CB 3.2Å
216	K	93.6	Very high	94	Very high	144 Å²	144	56.9 Å²	56.9	63%	0.626	29%	0.294	S	S	*	.			trans	60	37	178.2	-56.8	-178.8	178.7	178	0	113.1	C211 F212 T214	C211-K216 PolarHBondContact O-N 3.27Å; F212-K216 VanDerWaalsContact O-CA 3.29Å; F212-K216 WeakPolarHBondContact O-CA 3.28Å; F212-K216 PolarHBondContact O-N 3.12Å; T214-K216 VanDerWaalsContact C-N 3.32Å
217	L	93.3	Very high	93.9	Very high	37 Å²	37	61.5 Å²	61.5	19%	0.194	31%	0.314	C	S	.	.			trans	-80.9	126.3	173.2	-55	-177.2	0	0	0	109	C211 F212 L215 P220 D224	C211-L217 HydrophobicContact CB-CD1 4.07Å; C211-L217 WeakPolarHBondContact O-CB 3.25Å; C211-L217 WeakPolarHBondContact O-CG 3.41Å; C211-L217 PolarHBondContact O-N 3.4Å; F212-L217 VanDerWaalsContact CD2-O 3.29Å; F212-L217 WeakPolarHBondContact CD2-O 3.37Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 HydrophobicContact CB-CD1 4.49Å; L215-L217 HydrophobicContact CB-CG 4.08Å; L215-L217 PolarHBondContact O-N 2.97Å; L217-P220 HydrophobicContact CB-CG 4.3Å; L217-D224 HydrophobicContact CD1-CB 3.87Å
218	T	91.2	Very high	93.8	Very high	121 Å²	121	61.9 Å²	61.9	74%	0.742	32%	0.316	S	S	*	.	S	Bend	trans	-71.7	-32.8	-176.7	49.4	0	0	0	0	113.1
219	T	91.3	Very high	93.9	Very high	105 Å²	105	58.2 Å²	58.2	64%	0.644	30%	0.301	S	S	*	.	S	Bend	trans	-138.1	80.5	178.9	52	0	0	0	0	108.7	T221	T219-T221 PolarHBondContact O-N 3.25Å
220	P	93.3	Very high	94	Very high	20 Å²	20	56 Å²	56	13%	0.13	29%	0.29	C	S	.	.			trans	-54	132.5	175.1	-25.2	34.7	0	0	0	111.3	Y208 C211 F212 L217 L225	Y208-P220 HydrophobicContact CD2-CB 4.03Å; Y208-P220 HydrophobicContact CD2-CG 4.2Å; Y208-P220 HydrophobicContact CE2-CB 4.01Å; Y208-P220 HydrophobicContact CE2-CG 3.92Å; C211-P220 HydrophobicContact CB-CB 3.66Å; C211-P220 HydrophobicContact CB-CG 3.75Å; F212-P220 HydrophobicContact CB-CG 3.99Å; L217-P220 HydrophobicContact CB-CG 4.3Å; P220-L225 HydrophobicContact CB-CD1 3.99Å
221	T	93.4	Very high	93.9	Very high	75 Å²	75	56.8 Å²	56.8	46%	0.46	30%	0.296	S	S	.	.			trans	-109.1	159	176	68.3	0	0	0	0	110.4	T219 G223 D224 L225	T219-T221 PolarHBondContact O-N 3.25Å; T221-G223 PolarHBondContact O-N 2.79Å; T221-G223 VanDerWaalsContact O-N 3.07Å; T221-G223 PolarHBondContact OG1-N 2.88Å; T221-D224 WeakPolarHBondContact CB-OD2 3.43Å; T221-D224 PolarHBondContact N-OD2 3.15Å; T221-D224 WeakPolarHBondContact O-CA 3.37Å; T221-D224 WeakPolarHBondContact O-CB 3.44Å; T221-D224 PolarHBondContact O-N 2.77Å; T221-D224 PolarHBondContact OG1-N 3.05Å; T221-D224 PolarHBondContact OG1-OD2 2.82Å; T221-L225 WeakPolarHBondContact O-CD1 3.42Å; T221-L225 PolarHBondContact O-N 3.39Å; T221-L225 VanDerWaalsContact O-N 3.12Å
222	Y	91.9	Very high	94	Very high	110 Å²	110	56.8 Å²	56.8	43%	0.431	30%	0.296	S	S	.	.	H	α-helix	trans	-54.1	-29.1	172.1	-75.8	-69.1	0	0	0	113	V175 D224 L225 N226	V175-Y222 HydrophobicContact CG1-CE1 4.24Å; V175-Y222 PolarHBondContact O-OH 3.21Å; Y222-D224 VanDerWaalsContact C-N 3.35Å; Y222-D224 PolarHBondContact O-N 3.31Å; Y222-L225 HydrophobicContact CD1-CD2 4.36Å; Y222-L225 PolarHBondContact O-N 2.97Å; Y222-N226 VanDerWaalsContact O-CB 3.23Å; Y222-N226 WeakPolarHBondContact O-CB 3.32Å; Y222-N226 PolarHBondContact O-N 3.07Å; Y222-N226 PolarHBondContact O-ND2 3.38Å; Y222-N226 PolarHBondContact O-OD1 3.02Å
223	G	93.5	Very high	94.1	Very high	49 Å²	49	52.2 Å²	52.2	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-38.2	172.3	0	0	0	0	0	113.4	T221 H227	T221-G223 PolarHBondContact O-N 2.79Å; T221-G223 VanDerWaalsContact O-N 3.07Å; T221-G223 PolarHBondContact OG1-N 2.88Å; G223-H227 WeakPolarHBondContact O-CB 3.44Å; G223-H227 PolarHBondContact O-N 3.44Å
224	D	94.5	Very high	94.2	Very high	43 Å²	43	44.4 Å²	44.4	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-42.7	175.7	-57.9	-66.3	0	0	0	111.3	L217 T221 Y222 H227 L228	L217-D224 HydrophobicContact CD1-CB 3.87Å; T221-D224 WeakPolarHBondContact CB-OD2 3.43Å; T221-D224 PolarHBondContact N-OD2 3.15Å; T221-D224 WeakPolarHBondContact O-CA 3.37Å; T221-D224 WeakPolarHBondContact O-CB 3.44Å; T221-D224 PolarHBondContact O-N 2.77Å; T221-D224 PolarHBondContact OG1-N 3.05Å; T221-D224 PolarHBondContact OG1-OD2 2.82Å; Y222-D224 VanDerWaalsContact C-N 3.35Å; Y222-D224 PolarHBondContact O-N 3.31Å; D224-H227 PolarHBondContact O-N 2.98Å; D224-L228 PolarHBondContact O-N 3.43Å
225	L	95.3	Very high	94.2	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-50.1	177.4	-78.7	68.8	0	0	0	110.3	V175 L207 P220 T221 Y222 H227 L228 V229	V175-L225 HydrophobicContact CG1-CD2 4.48Å; L207-L225 HydrophobicContact CB-CB 4.47Å; L207-L225 HydrophobicContact CB-CD2 4.14Å; L207-L225 HydrophobicContact CB-CG 3.94Å; L207-L225 HydrophobicContact CD1-CB 4.28Å; P220-L225 HydrophobicContact CB-CD1 3.99Å; T221-L225 WeakPolarHBondContact O-CD1 3.42Å; T221-L225 PolarHBondContact O-N 3.39Å; T221-L225 VanDerWaalsContact O-N 3.12Å; Y222-L225 HydrophobicContact CD1-CD2 4.36Å; Y222-L225 PolarHBondContact O-N 2.97Å; L225-H227 VanDerWaalsContact C-N 3.26Å; L225-H227 PolarHBondContact O-N 3.01Å; L225-L228 WeakPolarHBondContact O-CB 3.43Å; L225-L228 PolarHBondContact O-N 2.82Å; L225-L228 VanDerWaalsContact O-N 3.07Å; L225-V229 WeakPolarHBondContact O-CG2 3.4Å; L225-V229 PolarHBondContact O-N 3.12Å
226	N	94.8	Very high	94.2	Very high	16 Å²	16	41.3 Å²	41.3	9%	0.086	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-34.5	179.3	-66.9	-10.1	0	0	0	111.9	I16 Y222 V229 S230	I16-N226 HydrophobicContact CG1-CB 4.14Å; I16-N226 VanDerWaalsContact CG1-OD1 3.29Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.47Å; Y222-N226 VanDerWaalsContact O-CB 3.23Å; Y222-N226 WeakPolarHBondContact O-CB 3.32Å; Y222-N226 PolarHBondContact O-N 3.07Å; Y222-N226 PolarHBondContact O-ND2 3.38Å; Y222-N226 PolarHBondContact O-OD1 3.02Å; N226-V229 PolarHBondContact O-N 3.31Å; N226-S230 WeakPolarHBondContact O-CB 3.14Å; N226-S230 PolarHBondContact O-N 2.92Å; N226-S230 PolarHBondContact O-OG 2.79Å
227	H	94.5	Very high	94.2	Very high	106 Å²	106	34.4 Å²	34.4	49%	0.491	20%	0.199	S	C	.	.	H	α-helix	trans	-61.8	-45.8	173.5	-180	51.1	0	0	0	111.6	G223 D224 L225 V229 S230 A231	G223-H227 WeakPolarHBondContact O-CB 3.44Å; G223-H227 PolarHBondContact O-N 3.44Å; D224-H227 PolarHBondContact O-N 2.98Å; L225-H227 VanDerWaalsContact C-N 3.26Å; L225-H227 PolarHBondContact O-N 3.01Å; H227-V229 PolarHBondContact O-N 3.32Å; H227-S230 WeakPolarHBondContact CA-OG 3.15Å; H227-S230 PolarHBondContact O-N 3.02Å; H227-S230 PolarHBondContact O-OG 2.84Å; H227-A231 PolarHBondContact O-N 3.21Å
228	L	94.9	Very high	94.1	Very high	9 Å²	9	32.7 Å²	32.7	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-42.3	178	180	59.5	0	0	0	112	L207 I210 D224 L225 A231 T232 L273 M300	L207-L228 HydrophobicContact CD2-CB 4.45Å; L207-L228 HydrophobicContact CD2-CD2 3.63Å; L207-L228 HydrophobicContact CD2-CG 3.99Å; I210-L228 HydrophobicContact CB-CD2 3.94Å; I210-L228 HydrophobicContact CD1-CD2 3.96Å; I210-L228 HydrophobicContact CG2-CD2 3.53Å; D224-L228 PolarHBondContact O-N 3.43Å; L225-L228 WeakPolarHBondContact O-CB 3.43Å; L225-L228 PolarHBondContact O-N 2.82Å; L225-L228 VanDerWaalsContact O-N 3.07Å; L228-A231 PolarHBondContact O-N 3Å; L228-T232 PolarHBondContact O-N 3.24Å; L228-T232 PolarHBondContact O-OG1 3.28Å; L228-L273 HydrophobicContact CD1-CD2 3.55Å; L228-M300 HydrophobicContact CD1-CE 3.41Å; L228-M300 VanDerWaalsContact CD1-CE 3.41Å; L228-M300 HydrophobicContact CD2-CE 4.06Å; L228-M300 HydrophobicContact CG-CE 3.4Å; L228-M300 VanDerWaalsContact CG-CE 3.4Å; L228-M300 HydrophobicContact CG-SD 4.32Å
229	V	96.9	Very high	93.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-49.1	174.2	175	0	0	0	0	111.2	I16 I202 L207 L225 N226 H227 A231 T232 M233	I16-V229 HydrophobicContact CD1-CG1 4.17Å; I16-V229 HydrophobicContact CG1-CG1 4.46Å; I16-V229 HydrophobicContact CG2-CB 4.26Å; I16-V229 HydrophobicContact CG2-CG1 3.5Å; I16-V229 VanDerWaalsContact CG2-CG1 3.5Å; I202-V229 HydrophobicContact CD1-CB 4.48Å; I202-V229 HydrophobicContact CD1-CG1 3.51Å; I202-V229 HydrophobicContact CD1-CG2 4.32Å; I202-V229 HydrophobicContact CG2-CG2 3.55Å; L207-V229 HydrophobicContact CD1-CG2 3.58Å; L207-V229 HydrophobicContact CD2-CG2 3.98Å; L207-V229 HydrophobicContact CG-CG2 4.45Å; L225-V229 WeakPolarHBondContact O-CG2 3.4Å; L225-V229 PolarHBondContact O-N 3.12Å; N226-V229 PolarHBondContact O-N 3.31Å; H227-V229 PolarHBondContact O-N 3.32Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.97Å; V229-T232 WeakPolarHBondContact O-CB 3.39Å; V229-T232 PolarHBondContact O-N 3.25Å; V229-M233 HydrophobicContact CG1-CG 4.14Å; V229-M233 HydrophobicContact CG1-SD 3.76Å; V229-M233 WeakPolarHBondContact O-CG 3.34Å; V229-M233 PolarHBondContact O-N 2.79Å
230	S	96.1	Very high	93.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-38.3	-179	69.6	0	0	0	0	113	K19 N226 H227 T232 M233 S234	K19-S230 WeakPolarHBondContact CG-OG 3.21Å; N226-S230 WeakPolarHBondContact O-CB 3.14Å; N226-S230 PolarHBondContact O-N 2.92Å; N226-S230 PolarHBondContact O-OG 2.79Å; H227-S230 WeakPolarHBondContact CA-OG 3.15Å; H227-S230 PolarHBondContact O-N 3.02Å; H227-S230 PolarHBondContact O-OG 2.84Å; S230-T232 VanDerWaalsContact C-N 3.27Å; S230-T232 PolarHBondContact O-N 3.4Å; S230-M233 PolarHBondContact O-N 3.46Å; S230-S234 WeakPolarHBondContact O-CB 3.38Å; S230-S234 PolarHBondContact O-N 3.36Å
231	A	94.4	Very high	93.8	Very high	17 Å²	17	21.7 Å²	21.7	14%	0.14	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-36.2	176.4	0	0	0	0	0	111.7	H227 L228 V229 G235 F270	H227-A231 PolarHBondContact O-N 3.21Å; L228-A231 PolarHBondContact O-N 3Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.97Å; A231-G235 PolarHBondContact O-N 3.13Å; A231-F270 HydrophobicContact CB-CD2 4.14Å; A231-F270 HydrophobicContact CB-CE2 3.99Å; A231-F270 HydrophobicContact CB-CZ 4.24Å
232	T	95.7	Very high	93.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-74.7	-46.2	178.6	-54.1	0	0	0	0	111.7	L228 V229 S230 S234 G235 V236 P268 F270 M300 T366	L228-T232 PolarHBondContact O-N 3.24Å; L228-T232 PolarHBondContact O-OG1 3.28Å; V229-T232 WeakPolarHBondContact O-CB 3.39Å; V229-T232 PolarHBondContact O-N 3.25Å; S230-T232 VanDerWaalsContact C-N 3.27Å; S230-T232 PolarHBondContact O-N 3.4Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 3.46Å; T232-G235 CarbonylContact O-C 3.42Å; T232-G235 WeakPolarHBondContact O-CA 3.35Å; T232-G235 PolarHBondContact O-N 3.26Å; T232-V236 HydrophobicContact CG2-CG2 4.49Å; T232-V236 WeakPolarHBondContact O-CG2 3.03Å; T232-V236 PolarHBondContact O-N 3.24Å; T232-P268 HydrophobicContact CG2-CB 3.69Å; T232-P268 HydrophobicContact CG2-CG 4.39Å; T232-F270 WeakPolarHBondContact OG1-CB 3.37Å; T232-M300 HydrophobicContact CG2-CE 4.18Å; T232-M300 HydrophobicContact CG2-SD 3.93Å; T232-M300 WeakPolarHBondContact OG1-CE 3.44Å; T232-M300 PolarHBondContact OG1-SD 2.92Å; T232-M300 VanDerWaalsContact OG1-SD 3.32Å; T232-T366 HydrophobicContact CG2-CG2 4.29Å
233	M	96.8	Very high	93	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.2	-44	172.6	-69.2	172.4	67.5	0	0	111.3	I16 F20 T136 F167 V229 S230 G235 V236 T237	I16-M233 HydrophobicContact CG2-CE 4.48Å; I16-M233 HydrophobicContact CG2-SD 3.47Å; I16-M233 WeakPolarHBondContact CG2-SD 2.99Å; F20-M233 HydrophobicContact CB-CE 4.03Å; F20-M233 HydrophobicContact CB-SD 4.35Å; F20-M233 HydrophobicContact CD1-CE 4.17Å; F20-M233 HydrophobicContact CD2-CB 3.59Å; F20-M233 HydrophobicContact CD2-CE 4Å; F20-M233 HydrophobicContact CE2-CB 3.86Å; F20-M233 HydrophobicContact CG-CB 4.46Å; F20-M233 HydrophobicContact CG-CE 3.8Å; T136-M233 HydrophobicContact CG2-CE 4.26Å; T136-M233 HydrophobicContact CG2-SD 4.41Å; T136-M233 WeakPolarHBondContact OG1-CE 3.46Å; F167-M233 HydrophobicContact CB-SD 4.47Å; F167-M233 HydrophobicContact CD1-CG 3.61Å; F167-M233 HydrophobicContact CD2-CE 3.74Å; F167-M233 HydrophobicContact CD2-CG 4.08Å; F167-M233 HydrophobicContact CD2-SD 4.41Å; F167-M233 HydrophobicContact CE1-CB 4.28Å; F167-M233 HydrophobicContact CE1-CG 3.68Å; F167-M233 HydrophobicContact CE2-CE 4.1Å; F167-M233 HydrophobicContact CE2-CG 4.13Å; F167-M233 HydrophobicContact CG-CE 4.14Å; F167-M233 HydrophobicContact CG-CG 3.81Å; F167-M233 HydrophobicContact CG-SD 4.23Å; F167-M233 HydrophobicContact CZ-CB 4.2Å; F167-M233 HydrophobicContact CZ-CG 3.94Å; V229-M233 HydrophobicContact CG1-CG 4.14Å; V229-M233 HydrophobicContact CG1-SD 3.76Å; V229-M233 WeakPolarHBondContact O-CG 3.34Å; V229-M233 PolarHBondContact O-N 2.79Å; S230-M233 PolarHBondContact O-N 3.46Å; M233-G235 VanDerWaalsContact C-N 3.32Å; M233-G235 PolarHBondContact O-N 3.02Å; M233-V236 PolarHBondContact O-N 3.23Å; M233-T237 WeakPolarHBondContact O-CB 3.11Å; M233-T237 VanDerWaalsContact O-CG2 3.25Å; M233-T237 WeakPolarHBondContact O-CG2 3.27Å; M233-T237 PolarHBondContact O-N 3.03Å; M233-T237 PolarHBondContact O-OG1 3.49Å
234	S	95.2	Very high	91.7	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-58.8	-45.9	174.6	174.1	0	0	0	0	111.2	E27 S230 T232 T237 T238 R241 R318	E27-S234 PolarHBondContact OE1-OG 3.33Å; E27-S234 PolarHBondContact OE2-OG 2.87Å; E27-S234 VanDerWaalsContact OE2-OG 3.14Å; S230-S234 WeakPolarHBondContact O-CB 3.38Å; S230-S234 PolarHBondContact O-N 3.36Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 3.46Å; S234-T237 PolarHBondContact O-N 3.17Å; S234-T237 PolarHBondContact O-OG1 3.15Å; S234-T238 PolarHBondContact O-N 2.89Å; S234-T238 PolarHBondContact O-OG1 2.93Å; S234-R241 PolarHBondContact O-NH2 2.74Å; S234-R241 PolarHBondContact OG-NH2 3.27Å; S234-R318 PolarHBondContact OG-NH1 3.09Å
235	G	94	Very high	90	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59	-50.7	175.8	0	0	0	0	0	114.4	A231 T232 M233 T237 T238 T366	A231-G235 PolarHBondContact O-N 3.13Å; T232-G235 CarbonylContact O-C 3.42Å; T232-G235 WeakPolarHBondContact O-CA 3.35Å; T232-G235 PolarHBondContact O-N 3.26Å; M233-G235 VanDerWaalsContact C-N 3.32Å; M233-G235 PolarHBondContact O-N 3.02Å; G235-T237 VanDerWaalsContact C-N 3.27Å; G235-T237 PolarHBondContact O-N 3.04Å; G235-T238 WeakPolarHBondContact CA-OG1 3.16Å; G235-T238 VanDerWaalsContact O-CB 3.29Å; G235-T238 WeakPolarHBondContact O-CB 3.35Å; G235-T238 PolarHBondContact O-N 3.25Å; G235-T238 PolarHBondContact O-OG1 3.37Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; G235-T366 VanDerWaalsContact CA-OG1 3.25Å; G235-T366 WeakPolarHBondContact CA-OG1 3.47Å
236	V	93.3	Very high	88.1	Confident	8 Å²	8	20.8 Å²	20.8	5%	0.048	11%	0.114	C	C	.	.	H	α-helix	trans	-57	-42.9	177.3	169.8	0	0	0	0	110.8	F167 Y200 T232 M233 T238 T366 I368	F167-V236 HydrophobicContact CE1-CB 4.41Å; F167-V236 HydrophobicContact CE1-CG1 4.35Å; F167-V236 HydrophobicContact CE1-CG2 4.41Å; F167-V236 HydrophobicContact CZ-CB 4.29Å; F167-V236 HydrophobicContact CZ-CG1 4.03Å; Y200-V236 HydrophobicContact CD1-CG1 4.5Å; Y200-V236 HydrophobicContact CD1-CG2 4.23Å; Y200-V236 HydrophobicContact CE1-CB 4.45Å; Y200-V236 HydrophobicContact CE1-CG1 3.67Å; Y200-V236 HydrophobicContact CE1-CG2 3.84Å; Y200-V236 HydrophobicContact CE2-CG1 4.07Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.44Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.18Å; T232-V236 HydrophobicContact CG2-CG2 4.49Å; T232-V236 WeakPolarHBondContact O-CG2 3.03Å; T232-V236 PolarHBondContact O-N 3.24Å; M233-V236 PolarHBondContact O-N 3.23Å; V236-T238 VanDerWaalsContact C-N 3.33Å; V236-T238 PolarHBondContact O-N 3.03Å; V236-T366 HydrophobicContact CG2-CG2 3.87Å; V236-I368 HydrophobicContact CB-CD1 4.46Å; V236-I368 HydrophobicContact CG1-CD1 4.17Å; V236-I368 HydrophobicContact CG2-CD1 4Å; V236-I368 HydrophobicContact CG2-CG1 4.08Å
237	T	93.4	Very high	86.4	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.7	-175.6	61.1	0	0	0	0	113.9	Y50 F167 M233 S234 G235 C239 L240 R241	Y50-T237 WeakPolarHBondContact OH-CG2 3.48Å; F167-T237 HydrophobicContact CZ-CG2 4.5Å; M233-T237 WeakPolarHBondContact O-CB 3.11Å; M233-T237 VanDerWaalsContact O-CG2 3.25Å; M233-T237 WeakPolarHBondContact O-CG2 3.27Å; M233-T237 PolarHBondContact O-N 3.03Å; M233-T237 PolarHBondContact O-OG1 3.49Å; S234-T237 PolarHBondContact O-N 3.17Å; S234-T237 PolarHBondContact O-OG1 3.15Å; G235-T237 VanDerWaalsContact C-N 3.27Å; G235-T237 PolarHBondContact O-N 3.04Å; T237-C239 PolarHBondContact O-N 2.92Å; T237-L240 HydrophobicContact CG2-CD1 4.4Å; T237-L240 WeakPolarHBondContact O-CB 3.2Å; T237-L240 PolarHBondContact O-N 2.81Å; T237-L240 VanDerWaalsContact O-N 3.12Å; T237-R241 PolarHBondContact O-N 3.07Å; T237-R241 PolarHBondContact OG1-NE 3.44Å
238	T	92.1	Very high	85.2	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-44.5	-174.3	-64	0	0	0	0	111.8	S234 G235 V236 L240 R241 F242 R318 C354	S234-T238 PolarHBondContact O-N 2.89Å; S234-T238 PolarHBondContact O-OG1 2.93Å; G235-T238 WeakPolarHBondContact CA-OG1 3.16Å; G235-T238 VanDerWaalsContact O-CB 3.29Å; G235-T238 WeakPolarHBondContact O-CB 3.35Å; G235-T238 PolarHBondContact O-N 3.25Å; G235-T238 PolarHBondContact O-OG1 3.37Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; V236-T238 VanDerWaalsContact C-N 3.33Å; V236-T238 PolarHBondContact O-N 3.03Å; T238-L240 PolarHBondContact O-N 3.1Å; T238-R241 PolarHBondContact O-N 3.11Å; T238-R241 VanDerWaalsContact O-N 3.13Å; T238-F242 HydrophobicContact CG2-CD2 3.88Å; T238-F242 PolarHBondContact O-N 2.99Å; T238-R318 HydrophobicContact CG2-CG 4.06Å; T238-R318 WeakPolarHBondContact OG1-CD 3.36Å; T238-R318 VanDerWaalsContact OG1-CZ 3.31Å; T238-R318 PolarHBondContact OG1-NE 3.21Å; T238-R318 PolarHBondContact OG1-NH1 2.88Å; T238-C354 HydrophobicContact CG2-CB 3.59Å
239	C	87.3	Confident	84.6	Confident	10 Å²	10	17.5 Å²	17.5	7%	0.068	10%	0.104	C	C	.	.	H	α-helix	trans	-67.4	-17.1	-179.5	-64.3	0	0	0	0	113.8	R46 T237 A352	R46-C239 PolarHBondContact NH1-O 3.04Å; T237-C239 PolarHBondContact O-N 2.92Å; C239-A352 VanDerWaalsContact SG-CB 3.59Å
240	L	90.7	Very high	84.2	Confident	6 Å²	6	17.6 Å²	17.6	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-81.6	-42.6	173.9	-49.3	173.5	0	0	0	109.7	I4 R46 V49 T237 T238 L250	I4-L240 HydrophobicContact CD1-CD1 3.67Å; R46-L240 VanDerWaalsContact CD-O 3.27Å; R46-L240 WeakPolarHBondContact CD-O 3.37Å; V49-L240 HydrophobicContact CG1-CB 4.27Å; T237-L240 HydrophobicContact CG2-CD1 4.4Å; T237-L240 WeakPolarHBondContact O-CB 3.2Å; T237-L240 PolarHBondContact O-N 2.81Å; T237-L240 VanDerWaalsContact O-N 3.12Å; T238-L240 PolarHBondContact O-N 3.1Å; L240-L250 HydrophobicContact CD1-CD2 3.68Å; L240-L250 HydrophobicContact CD1-CG 4.24Å
241	R	91.9	Very high	83.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-85.6	-21.3	-172.2	-70	-176.8	-58.1	103	-1.8	115.7	E27 H28 R46 Y50 S234 T237 T238	E27-R241 IonicContact OE2-CZ 2.83Å; E27-R241 VanDerWaalsContact OE2-CZ 3.23Å; E27-R241 IonicContact OE2-NH1 3.95Å; E27-R241 PolarHBondContact OE2-NH1 3.33Å; E27-R241 IonicContact OE2-NH2 3.04Å; E27-R241 PolarHBondContact OE2-NH2 2.93Å; H28-R241 PolarHBondContact NE2-NH1 2.8Å; R46-R241 WeakPolarHBondContact CB-O 3.45Å; Y50-R241 HydrophobicContact CD2-CG 3.5Å; Y50-R241 VanDerWaalsContact CD2-CG 3.5Å; Y50-R241 HydrophobicContact CE2-CG 3.59Å; S234-R241 PolarHBondContact O-NH2 2.74Å; S234-R241 PolarHBondContact OG-NH2 3.27Å; T237-R241 PolarHBondContact O-N 3.07Å; T237-R241 PolarHBondContact OG1-NE 3.44Å; T238-R241 PolarHBondContact O-N 3.11Å; T238-R241 VanDerWaalsContact O-N 3.13Å
242	F	89	Confident	83.8	Confident	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.139	C	C	.	.	S	Bend	trans	-130.8	151.4	-178.5	-60.3	-59.3	0	0	0	111.4	E27 H28 L42 R46 T238 G244 I356	E27-F242 HydrophobicContact CB-CE2 4.32Å; E27-F242 HydrophobicContact CB-CZ 3.94Å; H28-F242 AromaticContact CE1-CE1 3.5Å; H28-F242 AromaticContact CE1-CZ 3.81Å; H28-F242 AromaticContact ND1-CE1 3.69Å; L42-F242 WeakPolarHBondContact O-CD1 3.49Å; R46-F242 PolarHBondContact NH1-O 2.86Å; T238-F242 HydrophobicContact CG2-CD2 3.88Å; T238-F242 PolarHBondContact O-N 2.99Å; F242-G244 PolarHBondContact O-N 3.38Å; F242-I356 HydrophobicContact CB-CD1 4.31Å; F242-I356 HydrophobicContact CD1-CD1 3.28Å; F242-I356 HydrophobicContact CD2-CB 4.41Å; F242-I356 HydrophobicContact CD2-CD1 4.21Å; F242-I356 HydrophobicContact CE1-CD1 3.51Å; F242-I356 HydrophobicContact CE2-CB 4.41Å; F242-I356 HydrophobicContact CE2-CD1 4.37Å; F242-I356 HydrophobicContact CE2-CG2 4.14Å; F242-I356 HydrophobicContact CG-CD1 3.67Å; F242-I356 HydrophobicContact CZ-CD1 4.05Å; F242-I356 HydrophobicContact CZ-CG2 4.16Å
243	P	78	Confident	83.5	Confident	37 Å²	37	27.4 Å²	27.4	24%	0.24	14%	0.141	C	C	.	.			trans	-60.9	133.4	174	26.9	-35.9	0	0	0	111.2	L42 E45	L42-P243 HydrophobicContact CD2-CG 3.68Å; E45-P243 WeakPolarHBondContact OE2-CG 3.49Å
244	G	66.4	Low	83.3	Confident	25 Å²	25	28 Å²	28	26%	0.258	15%	0.146	S	C	.	.			trans	176.8	151.7	-176.1	0	0	0	0	0	112.1	F242 L246	F242-G244 PolarHBondContact O-N 3.38Å; G244-L246 PolarHBondContact O-N 3.38Å
245	Q	60.2	Low	83.2	Confident	153 Å²	153	33.3 Å²	33.3	72%	0.715	18%	0.178	S	C	*	.	S	Bend	trans	-76.1	-21.7	-158	-67.2	-168.7	-14.2	0	0	117
246	L	55.3	Low	83	Confident	45 Å²	45	35.5 Å²	35.5	24%	0.236	19%	0.19	C	C	.	.	S	Bend	trans	-121.1	130.2	-175.3	-116.3	93.5	0	0	0	111.8	G244 K350 T351 A352	G244-L246 PolarHBondContact O-N 3.38Å; L246-K350 HydrophobicContact CD2-CB 3.65Å; L246-K350 HydrophobicContact CD2-CD 4.14Å; L246-K350 HydrophobicContact CD2-CG 4.18Å; L246-T351 WeakPolarHBondContact CB-O 3.04Å; L246-T351 WeakPolarHBondContact CD2-O 3.42Å; L246-A352 HydrophobicContact CB-CB 3.91Å
247	N	58.2	Low	83.1	Confident	13 Å²	13	35.1 Å²	35.1	7%	0.07	19%	0.188	C	C	.	.			trans	62.1	65.9	175.1	-53.6	-18.1	0	0	0	114.8	D249 L253 N256	N247-D249 PolarHBondContact O-N 2.88Å; N247-D249 VanDerWaalsContact O-N 3.15Å; N247-L253 HydrophobicContact CB-CB 4.46Å; N247-L253 HydrophobicContact CB-CD1 4.46Å; N247-N256 PolarHBondContact OD1-ND2 3.13Å
248	A	69.2	Low	83.2	Confident	33 Å²	33	36.2 Å²	36.2	27%	0.273	20%	0.195	S	C	.	.			trans	-71	-0.2	177.5	0	0	0	0	0	114.4
249	D	83	Confident	83.4	Confident	17 Å²	17	38.5 Å²	38.5	9%	0.091	21%	0.209	C	C	.	.	S	Bend	trans	-155.9	158.6	-178	68.3	83.1	0	0	0	111.4	R2 N247 R251 K252 L253	R2-D249 IonicContact CZ-OD2 3.46Å; R2-D249 VanDerWaalsContact CZ-OD2 3.24Å; R2-D249 VanDerWaalsContact NH1-CB 3.29Å; R2-D249 VanDerWaalsContact NH1-CG 3.25Å; R2-D249 IonicContact NH1-OD2 3.79Å; R2-D249 PolarHBondContact NH1-OD2 3.29Å; R2-D249 IonicContact NH2-OD2 2.68Å; R2-D249 PolarHBondContact NH2-OD2 3.34Å; N247-D249 PolarHBondContact O-N 2.88Å; N247-D249 VanDerWaalsContact O-N 3.15Å; D249-R251 WeakPolarHBondContact OD1-CA 3.35Å; D249-R251 WeakPolarHBondContact OD1-CB 3.49Å; D249-R251 PolarHBondContact OD1-N 3.45Å; D249-K252 PolarHBondContact O-N 3.3Å; D249-K252 WeakPolarHBondContact OD1-CB 3.3Å; D249-K252 PolarHBondContact OD1-N 3.4Å; D249-L253 PolarHBondContact O-N 2.95Å
250	L	87.3	Confident	83.8	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-42	-179.9	-68.4	174.4	0	0	0	111.8	I4 Q134 I163 L240 K252 L253 A254	I4-L250 HydrophobicContact CD1-CD1 3.77Å; I4-L250 HydrophobicContact CD1-CD2 4.46Å; I4-L250 HydrophobicContact CD1-CG 4.03Å; I4-L250 HydrophobicContact CG1-CD1 3.99Å; Q134-L250 HydrophobicContact CG-CD1 4.5Å; I163-L250 HydrophobicContact CB-CB 4.06Å; I163-L250 HydrophobicContact CB-CD1 4.41Å; I163-L250 HydrophobicContact CG1-CB 4.18Å; I163-L250 HydrophobicContact CG2-CB 3.86Å; I163-L250 HydrophobicContact CG2-CD1 4.24Å; L240-L250 HydrophobicContact CD1-CD2 3.68Å; L240-L250 HydrophobicContact CD1-CG 4.24Å; L250-K252 VanDerWaalsContact C-N 3.29Å; L250-K252 PolarHBondContact O-N 3.14Å; L250-L253 WeakPolarHBondContact O-CA 3.44Å; L250-L253 WeakPolarHBondContact O-CB 3.41Å; L250-L253 PolarHBondContact O-N 3.08Å; L250-A254 PolarHBondContact O-N 2.83Å
251	R	91.5	Very high	83.9	Confident	120 Å²	120	44.2 Å²	44.2	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-40	-178.3	-175.6	176.5	-55.1	-73.8	-4.8	112	D161 I163 D249 L253 A254 V255	D161-R251 PolarHBondContact O-NH2 2.86Å; I163-R251 HydrophobicContact CD1-CB 4.2Å; I163-R251 HydrophobicContact CD1-CG 4.4Å; I163-R251 HydrophobicContact CG1-CB 4.06Å; D249-R251 WeakPolarHBondContact OD1-CA 3.35Å; D249-R251 WeakPolarHBondContact OD1-CB 3.49Å; D249-R251 PolarHBondContact OD1-N 3.45Å; R251-L253 VanDerWaalsContact C-N 3.3Å; R251-A254 PolarHBondContact O-N 2.9Å; R251-V255 HydrophobicContact CG-CG2 4.5Å; R251-V255 VanDerWaalsContact O-CG2 3.3Å; R251-V255 WeakPolarHBondContact O-CG2 3.21Å; R251-V255 PolarHBondContact O-N 2.91Å
252	K	90.3	Very high	84.2	Confident	93 Å²	93	47 Å²	47	40%	0.404	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-33.8	175.6	-176	171.5	177.5	177.2	0	111.2	D249 L250 N256	D249-K252 PolarHBondContact O-N 3.3Å; D249-K252 WeakPolarHBondContact OD1-CB 3.3Å; D249-K252 PolarHBondContact OD1-N 3.4Å; L250-K252 VanDerWaalsContact C-N 3.29Å; L250-K252 PolarHBondContact O-N 3.14Å; K252-N256 WeakPolarHBondContact CG-ND2 3.49Å; K252-N256 WeakPolarHBondContact O-CB 3.42Å; K252-N256 PolarHBondContact O-N 3.26Å; K252-N256 PolarHBondContact O-ND2 3.11Å
253	L	90	Very high	84.6	Confident	12 Å²	12	47 Å²	47	6%	0.063	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-52.4	172.4	-175.2	60.7	0	0	0	110.2	Y200 N247 D249 L250 R251 V255 N256 M257	Y200-L253 WeakPolarHBondContact OH-CD2 3.29Å; N247-L253 HydrophobicContact CB-CB 4.46Å; N247-L253 HydrophobicContact CB-CD1 4.46Å; D249-L253 PolarHBondContact O-N 2.95Å; L250-L253 WeakPolarHBondContact O-CA 3.44Å; L250-L253 WeakPolarHBondContact O-CB 3.41Å; L250-L253 PolarHBondContact O-N 3.08Å; R251-L253 VanDerWaalsContact C-N 3.3Å; L253-V255 PolarHBondContact O-N 2.94Å; L253-N256 PolarHBondContact O-N 3.23Å; L253-N256 VanDerWaalsContact O-N 3.12Å; L253-M257 HydrophobicContact CD1-CG 3.67Å; L253-M257 HydrophobicContact CG-CG 4.28Å; L253-M257 VanDerWaalsContact O-CB 3.28Å; L253-M257 WeakPolarHBondContact O-CB 3.17Å; L253-M257 VanDerWaalsContact O-CG 3.25Å; L253-M257 WeakPolarHBondContact O-CG 3.49Å; L253-M257 PolarHBondContact O-N 3.12Å
254	A	92.6	Very high	85.5	Confident	12 Å²	12	45.2 Å²	45.2	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-51.7	-54	175.3	0	0	0	0	0	112.3	I163 E198 L250 R251 N256 M257 V258	I163-A254 HydrophobicContact CD1-CB 4.47Å; E198-A254 HydrophobicContact CG-CB 4.11Å; E198-A254 WeakPolarHBondContact OE1-CA 3.43Å; E198-A254 WeakPolarHBondContact OE1-CB 3.28Å; E198-A254 PolarHBondContact OE1-N 2.89Å; L250-A254 PolarHBondContact O-N 2.83Å; R251-A254 PolarHBondContact O-N 2.9Å; A254-N256 PolarHBondContact O-N 3.43Å; A254-M257 PolarHBondContact O-N 3.42Å; A254-V258 WeakPolarHBondContact O-CB 3.44Å; A254-V258 PolarHBondContact O-N 2.92Å
255	V	92.7	Very high	87	Confident	112 Å²	112	44.1 Å²	44.1	68%	0.679	23%	0.23	S	C	*	.	H	α-helix	trans	-59.3	-33.1	-179.6	170	0	0	0	0	112.9	R251 L253	R251-V255 HydrophobicContact CG-CG2 4.5Å; R251-V255 VanDerWaalsContact O-CG2 3.3Å; R251-V255 WeakPolarHBondContact O-CG2 3.21Å; R251-V255 PolarHBondContact O-N 2.91Å; L253-V255 PolarHBondContact O-N 2.94Å
256	N	91.6	Very high	88.8	Confident	46 Å²	46	36.8 Å²	36.8	25%	0.246	20%	0.196	C	C	.	.	H	α-helix	trans	-83.7	-22	178.8	-77.2	-61.2	0	0	0	113.5	N247 K252 L253 A254 K350	N247-N256 PolarHBondContact OD1-ND2 3.13Å; K252-N256 WeakPolarHBondContact CG-ND2 3.49Å; K252-N256 WeakPolarHBondContact O-CB 3.42Å; K252-N256 PolarHBondContact O-N 3.26Å; K252-N256 PolarHBondContact O-ND2 3.11Å; L253-N256 PolarHBondContact O-N 3.23Å; L253-N256 VanDerWaalsContact O-N 3.12Å; A254-N256 PolarHBondContact O-N 3.43Å; N256-K350 HydrophobicContact CB-CG 4.38Å; N256-K350 WeakPolarHBondContact OD1-CE 3.24Å
257	M	94.3	Very high	90.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-110.8	-23.8	-168.7	-66.2	-59	-62.2	0	0	113.4	L253 A254 P259 F266 T312 A314 I368 N370	L253-M257 HydrophobicContact CD1-CG 3.67Å; L253-M257 HydrophobicContact CG-CG 4.28Å; L253-M257 VanDerWaalsContact O-CB 3.28Å; L253-M257 WeakPolarHBondContact O-CB 3.17Å; L253-M257 VanDerWaalsContact O-CG 3.25Å; L253-M257 WeakPolarHBondContact O-CG 3.49Å; L253-M257 PolarHBondContact O-N 3.12Å; A254-M257 PolarHBondContact O-N 3.42Å; M257-P259 WeakPolarHBondContact O-CD 3.41Å; M257-F266 HydrophobicContact CB-CE1 3.68Å; M257-F266 HydrophobicContact CB-CZ 3.58Å; M257-T312 VanDerWaalsContact CA-OG1 3.32Å; M257-T312 WeakPolarHBondContact CA-OG1 3.4Å; M257-T312 WeakPolarHBondContact CE-OG1 3.35Å; M257-T312 PolarHBondContact O-OG1 3.04Å; M257-A314 HydrophobicContact CE-CB 4.03Å; M257-A314 HydrophobicContact SD-CB 3.61Å; M257-I368 HydrophobicContact CE-CB 4.32Å; M257-I368 HydrophobicContact CE-CG2 3.94Å; M257-I368 WeakPolarHBondContact CE-O 3.22Å; M257-N370 PolarHBondContact O-ND2 3.04Å
258	V	96.2	Very high	92.7	Very high	24 Å²	24	34.1 Å²	34.1	15%	0.145	18%	0.182	C	C	.	.			trans	-114.3	94.1	-174.5	-174.6	0	0	0	0	108.5	A254 F260 H264 F266	A254-V258 WeakPolarHBondContact O-CB 3.44Å; A254-V258 PolarHBondContact O-N 2.92Å; V258-F260 VanDerWaalsContact C-N 3.33Å; V258-F260 WeakPolarHBondContact CG1-O 3.42Å; V258-H264 HydrophobicContact CG1-CB 3.94Å; V258-H264 HydrophobicContact CG2-CB 3.96Å; V258-F266 HydrophobicContact CG2-CE1 3.93Å; V258-F266 HydrophobicContact CG2-CZ 3.51Å
259	P	94.7	Very high	93.9	Very high	47 Å²	47	32.6 Å²	32.6	31%	0.305	17%	0.17	S	C	.	.	S	Bend	trans	-69.6	-33.7	177.2	27.5	-33.7	0	0	0	112	M257 L311 I345	M257-P259 WeakPolarHBondContact O-CD 3.41Å; P259-L311 HydrophobicContact CG-CB 4.21Å; P259-L311 HydrophobicContact CG-CD1 4.08Å; P259-I345 HydrophobicContact CB-CD1 3.78Å; P259-I345 HydrophobicContact CG-CD1 3.8Å
260	F	95.8	Very high	94.6	Very high	34 Å²	34	32.6 Å²	32.6	15%	0.149	17%	0.169	C	C	.	.	S	Bend	trans	-127	135.4	-179.8	-60.4	-71.1	0	0	0	109.8	V258 R262 L263 W344 Y425	V258-F260 VanDerWaalsContact C-N 3.33Å; V258-F260 WeakPolarHBondContact CG1-O 3.42Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 2.81Å; F260-R262 VanDerWaalsContact O-N 3.1Å; F260-L263 HydrophobicContact CB-CB 4.34Å; F260-L263 HydrophobicContact CB-CG 4.11Å; F260-L263 HydrophobicContact CD2-CD1 4.42Å; F260-L263 PolarHBondContact O-N 2.78Å; F260-W344 AromaticContact CE2-CH2 3.61Å; F260-W344 HydrophobicContact CE2-CH2 3.61Å; F260-W344 AromaticContact CE2-CZ3 3.75Å; F260-W344 HydrophobicContact CE2-CZ3 3.75Å; F260-W344 HydrophobicContact CZ-CH2 4.36Å; F260-W344 HydrophobicContact CZ-CZ3 4.12Å; F260-Y425 HydrophobicContact CD1-CE1 4.23Å; F260-Y425 AromaticContact CD1-CZ 3.83Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.25Å; F260-Y425 AromaticContact CD2-CD1 3.99Å; F260-Y425 HydrophobicContact CD2-CD1 3.99Å; F260-Y425 HydrophobicContact CD2-CD2 4.11Å; F260-Y425 AromaticContact CD2-CE1 3.74Å; F260-Y425 HydrophobicContact CD2-CE1 3.74Å; F260-Y425 AromaticContact CD2-CE2 3.84Å; F260-Y425 HydrophobicContact CD2-CE2 3.84Å; F260-Y425 HydrophobicContact CD2-CG 4.16Å; F260-Y425 AromaticContact CD2-CZ 3.63Å; F260-Y425 AromaticContact CE1-CE1 3.71Å; F260-Y425 HydrophobicContact CE1-CE1 3.71Å; F260-Y425 AromaticContact CE1-CZ 3.76Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.45Å; F260-Y425 AromaticContact CE2-CD1 3.34Å; F260-Y425 HydrophobicContact CE2-CD1 3.34Å; F260-Y425 HydrophobicContact CE2-CD2 4.29Å; F260-Y425 AromaticContact CE2-CE1 3.14Å; F260-Y425 HydrophobicContact CE2-CE1 3.14Å; F260-Y425 HydrophobicContact CE2-CE2 4.12Å; F260-Y425 AromaticContact CE2-CG 3.92Å; F260-Y425 HydrophobicContact CE2-CG 3.92Å; F260-Y425 AromaticContact CE2-CZ 3.55Å; F260-Y425 HydrophobicContact CG-CE1 4.24Å; F260-Y425 HydrophobicContact CG-CE2 4.07Å; F260-Y425 AromaticContact CG-CZ 3.77Å; F260-Y425 AromaticContact CZ-CD1 3.75Å; F260-Y425 HydrophobicContact CZ-CD1 3.75Å; F260-Y425 AromaticContact CZ-CE1 3.14Å; F260-Y425 HydrophobicContact CZ-CE1 3.14Å; F260-Y425 AromaticContact CZ-CZ 3.63Å
261	P	94.5	Very high	95	Very high	102 Å²	102	32.5 Å²	32.5	66%	0.662	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-40.9	-172.6	-30.5	35.5	0	0	0	114.3	L263 H264	P261-L263 VanDerWaalsContact C-N 3.32Å; P261-L263 PolarHBondContact O-N 2.87Å; P261-H264 PolarHBondContact O-CD2 3.44Å
262	R	96.8	Very high	95.2	Very high	59 Å²	59	27.4 Å²	27.4	22%	0.223	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.6	-178.8	-70.3	172.6	58.9	99.3	-7.1	113.8	V193 E194 F260 H264 N414 L418 E421	V193-R262 HydrophobicContact CG1-CG 4.17Å; E194-R262 IonicContact OE1-NH1 3.44Å; E194-R262 PolarHBondContact OE1-NH1 3.17Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 2.81Å; F260-R262 VanDerWaalsContact O-N 3.1Å; R262-H264 VanDerWaalsContact C-N 3.3Å; R262-H264 PolarHBondContact O-N 2.83Å; R262-N414 PolarHBondContact NH1-OD1 2.81Å; R262-N414 PolarHBondContact NH2-OD1 2.85Å; R262-L418 HydrophobicContact CB-CD1 4.27Å; R262-L418 WeakPolarHBondContact O-CD1 3.13Å; R262-E421 WeakPolarHBondContact CB-OE2 3.44Å; R262-E421 WeakPolarHBondContact CD-OE2 3.26Å; R262-E421 IonicContact CZ-OE1 2.79Å; R262-E421 VanDerWaalsContact NE-CD 3.27Å; R262-E421 IonicContact NE-OE1 3.43Å; R262-E421 PolarHBondContact NE-OE1 3.1Å; R262-E421 IonicContact NE-OE2 3.35Å; R262-E421 PolarHBondContact NE-OE2 3.16Å; R262-E421 IonicContact NH2-OE1 2.87Å; R262-E421 PolarHBondContact NH2-OE1 3.36Å
263	L	97.5	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.			trans	-95.6	50	-176.8	-55.6	-149.9	0	0	0	111.3	F260 P261 L311 N370 L418 E421 Y422 Y425	F260-L263 HydrophobicContact CB-CB 4.34Å; F260-L263 HydrophobicContact CB-CG 4.11Å; F260-L263 HydrophobicContact CD2-CD1 4.42Å; F260-L263 PolarHBondContact O-N 2.78Å; P261-L263 VanDerWaalsContact C-N 3.32Å; P261-L263 PolarHBondContact O-N 2.87Å; L263-L311 HydrophobicContact CB-CD1 4.19Å; L263-L311 HydrophobicContact CD1-CD1 3.63Å; L263-N370 PolarHBondContact O-ND2 3.31Å; L263-L418 HydrophobicContact CD2-CD1 4.05Å; L263-E421 HydrophobicContact CD2-CB 4.28Å; L263-Y422 WeakPolarHBondContact CA-OH 3.45Å; L263-Y422 HydrophobicContact CB-CE1 3.87Å; L263-Y422 HydrophobicContact CD1-CD1 3.59Å; L263-Y422 HydrophobicContact CD1-CE1 3.66Å; L263-Y422 HydrophobicContact CD1-CG 4.29Å; L263-Y422 HydrophobicContact CD2-CD1 3.99Å; L263-Y422 HydrophobicContact CD2-CD2 3.99Å; L263-Y422 HydrophobicContact CD2-CE1 3.84Å; L263-Y422 HydrophobicContact CD2-CE2 3.81Å; L263-Y422 HydrophobicContact CD2-CG 4.07Å; L263-Y422 HydrophobicContact CG-CD1 4.26Å; L263-Y422 HydrophobicContact CG-CE1 3.97Å; L263-Y425 HydrophobicContact CD1-CD2 3.61Å; L263-Y425 HydrophobicContact CD1-CE2 4.24Å; L263-Y425 HydrophobicContact CD1-CG 4.29Å; L263-Y425 HydrophobicContact CG-CD2 4.42Å
264	H	97.7	Very high	95.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.135	C	C	.	.			trans	-98.7	12.6	-176	61	56	0	0	0	114.7	L192 V193 T196 D197 T199 V258 P261 R262	L192-H264 PolarHBondContact O-CE1 3.4Å; L192-H264 VanDerWaalsContact O-CE1 3.26Å; L192-H264 PolarHBondContact O-NE2 3.07Å; V193-H264 PolarHBondContact O-NE2 2.83Å; T196-H264 PolarHBondContact O-CD2 2.85Å; T196-H264 PolarHBondContact O-NE2 2.93Å; T196-H264 VanDerWaalsContact O-NE2 3.14Å; T196-H264 PolarHBondContact OG1-CE1 3.23Å; D197-H264 VanDerWaalsContact O-CB 3.23Å; D197-H264 WeakPolarHBondContact O-CB 3.34Å; T199-H264 PolarHBondContact N-O 2.68Å; V258-H264 HydrophobicContact CG1-CB 3.94Å; V258-H264 HydrophobicContact CG2-CB 3.96Å; P261-H264 PolarHBondContact O-CD2 3.44Å; R262-H264 VanDerWaalsContact C-N 3.3Å; R262-H264 PolarHBondContact O-N 2.83Å
265	F	98.4	Very high	95	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.4	-177.3	-63	-94.1	0	0	0	111.3	L192 V193 T199 I374 F378 L418	L192-F265 HydrophobicContact CB-CE1 4.23Å; L192-F265 HydrophobicContact CB-CZ 4.27Å; V193-F265 HydrophobicContact CG2-CE2 3.87Å; V193-F265 HydrophobicContact CG2-CZ 3.72Å; T199-F265 HydrophobicContact CG2-CD1 3.5Å; T199-F265 HydrophobicContact CG2-CE1 3.72Å; T199-F265 CarbonylContact O-C 3.56Å; T199-F265 WeakPolarHBondContact O-CA 3.3Å; F265-I374 HydrophobicContact CB-CG1 4.1Å; F265-F378 HydrophobicContact CB-CZ 4.11Å; F265-F378 HydrophobicContact CD1-CE1 4.26Å; F265-F378 AromaticContact CD1-CZ 3.67Å; F265-F378 HydrophobicContact CD1-CZ 3.67Å; F265-F378 HydrophobicContact CD2-CE2 4.39Å; F265-F378 AromaticContact CD2-CZ 3.96Å; F265-F378 HydrophobicContact CD2-CZ 3.96Å; F265-F378 HydrophobicContact CE1-CE1 4.27Å; F265-F378 AromaticContact CE1-CZ 3.98Å; F265-F378 HydrophobicContact CE1-CZ 3.98Å; F265-F378 HydrophobicContact CE2-CZ 4.25Å; F265-F378 HydrophobicContact CG-CE2 4.34Å; F265-F378 AromaticContact CG-CZ 3.64Å; F265-F378 HydrophobicContact CG-CZ 3.64Å; F265-F378 HydrophobicContact CZ-CZ 4.25Å; F265-L418 HydrophobicContact CD2-CD2 4.34Å; F265-L418 HydrophobicContact CE2-CD1 4.38Å; F265-L418 HydrophobicContact CE2-CD2 3.78Å; F265-L418 HydrophobicContact CZ-CD2 4.29Å
266	F	97.8	Very high	94.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	144.9	-176.8	-54.6	-45	0	0	0	112.5	E198 T199 Y200 C201 M257 V258 P268 I368 N370	E198-F266 HydrophobicContact CB-CD2 4.5Å; E198-F266 HydrophobicContact CB-CE2 3.78Å; E198-F266 HydrophobicContact CG-CE2 3.84Å; E198-F266 HydrophobicContact CG-CZ 4.36Å; T199-F266 PolarHBondContact O-N 2.9Å; Y200-F266 HydrophobicContact CD1-CB 4.03Å; Y200-F266 HydrophobicContact CD1-CD2 4.09Å; Y200-F266 HydrophobicContact CD2-CD2 4.38Å; Y200-F266 HydrophobicContact CE1-CB 4.27Å; Y200-F266 AromaticContact CE1-CD2 3.76Å; Y200-F266 HydrophobicContact CE1-CD2 3.76Å; Y200-F266 HydrophobicContact CE1-CG 4.42Å; Y200-F266 HydrophobicContact CE2-CD2 4.03Å; Y200-F266 HydrophobicContact CE2-CE2 4.44Å; Y200-F266 HydrophobicContact CG-CD2 4.39Å; Y200-F266 AromaticContact CZ-CD2 3.7Å; C201-F266 PolarHBondContact N-O 2.86Å; M257-F266 HydrophobicContact CB-CE1 3.68Å; M257-F266 HydrophobicContact CB-CZ 3.58Å; V258-F266 HydrophobicContact CG2-CE1 3.93Å; V258-F266 HydrophobicContact CG2-CZ 3.51Å; F266-P268 VanDerWaalsContact O-CD 3.28Å; F266-P268 WeakPolarHBondContact O-CD 3.07Å; F266-I368 HydrophobicContact CB-CG2 3.82Å; F266-I368 HydrophobicContact CD1-CG2 4.3Å; F266-I368 HydrophobicContact CD2-CG2 4.11Å; F266-I368 HydrophobicContact CG-CG2 3.82Å; F266-N370 HydrophobicContact CD1-CB 3.86Å; F266-N370 HydrophobicContact CE1-CB 3.98Å
267	M	96.8	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	101.1	167.1	-61.6	-175.4	-63.8	0	0	109	A301 C303 P305 Y310 G369 S371 I374	M267-A301 HydrophobicContact CB-CB 4.26Å; M267-A301 HydrophobicContact CG-CB 3.82Å; M267-A301 HydrophobicContact SD-CB 4.34Å; M267-C303 HydrophobicContact SD-CB 3.82Å; M267-P305 HydrophobicContact CE-CG 4.27Å; M267-Y310 HydrophobicContact CE-CE1 4.25Å; M267-G369 PolarHBondContact N-O 2.89Å; M267-G369 PolarHBondContact O-N 2.85Å; M267-S371 WeakPolarHBondContact CE-OG 3.32Å; M267-I374 HydrophobicContact CG-CD1 3.74Å; M267-I374 HydrophobicContact SD-CD1 4.41Å
268	P	97.1	Very high	93.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	157.8	177.5	34.1	-32.5	0	0	0	111.1	Y200 C201 I202 T232 F266 M300 F367	Y200-P268 HydrophobicContact CD1-CB 4.18Å; Y200-P268 HydrophobicContact CD1-CG 4.47Å; C201-P268 WeakPolarHBondContact O-CD 3.39Å; I202-P268 HydrophobicContact CG1-CG 4.32Å; T232-P268 HydrophobicContact CG2-CB 3.69Å; T232-P268 HydrophobicContact CG2-CG 4.39Å; F266-P268 VanDerWaalsContact O-CD 3.28Å; F266-P268 WeakPolarHBondContact O-CD 3.07Å; P268-M300 HydrophobicContact CG-CB 4.18Å; P268-M300 WeakPolarHBondContact O-CB 3.47Å; P268-M300 WeakPolarHBondContact O-CG 3.49Å; P268-M300 PolarHBondContact O-N 3.05Å; P268-F367 CarbonylContact C-O 3.54Å; P268-F367 VanDerWaalsContact CA-O 3.23Å; P268-F367 WeakPolarHBondContact CA-O 3.47Å
269	G	96	Very high	92.6	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.6	174.9	0	0	0	0	0	111.2	T366 F367	G269-T366 WeakPolarHBondContact O-CA 3.4Å; G269-F367 PolarHBondContact N-O 3.1Å; G269-F367 PolarHBondContact O-N 3.25Å
270	F	96.3	Very high	91.8	Very high	16 Å²	16	39.7 Å²	39.7	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.6	178.4	-177	-91	0	0	0	110.4	A231 T232 L273 M300 L361 A364	A231-F270 HydrophobicContact CB-CD2 4.14Å; A231-F270 HydrophobicContact CB-CE2 3.99Å; A231-F270 HydrophobicContact CB-CZ 4.24Å; T232-F270 WeakPolarHBondContact OG1-CB 3.37Å; F270-L273 HydrophobicContact CD1-CD2 4.16Å; F270-L273 WeakPolarHBondContact O-CD1 3.46Å; F270-L273 VanDerWaalsContact O-CG 3.27Å; F270-L273 WeakPolarHBondContact O-CG 3.23Å; F270-M300 HydrophobicContact CB-CE 3.89Å; F270-L361 HydrophobicContact CE1-CD1 4.33Å; F270-L361 HydrophobicContact CZ-CD1 3.93Å; F270-A364 HydrophobicContact CE2-CB 4.25Å; F270-A364 HydrophobicContact CZ-CB 4.04Å
271	A	96.1	Very high	91	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.4	171.6	0	0	0	0	0	109.5	L289 Q292 M293 A364 A365	A271-L289 HydrophobicContact CB-CD2 3.91Å; A271-Q292 HydrophobicContact CB-CB 3.84Å; A271-M293 HydrophobicContact CB-CG 4.26Å; A271-A364 CarbonylContact O-C 3.29Å; A271-A364 VanDerWaalsContact O-CA 3.28Å; A271-A364 WeakPolarHBondContact O-CA 2.97Å; A271-A364 WeakPolarHBondContact O-CB 3.26Å; A271-A365 PolarHBondContact N-O 2.86Å; A271-A365 PolarHBondContact O-N 3.26Å; A271-A365 VanDerWaalsContact O-O 3.13Å
272	P	95.1	Very high	90.2	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.084	23%	0.228	C	C	.	.			cis	-85.5	144.5	4.4	34	-35.4	0	0	0	113.6	L284 L289 Q292 L361	P272-L284 HydrophobicContact CB-CD2 3.51Å; P272-L284 HydrophobicContact CG-CD1 3.82Å; P272-L284 HydrophobicContact CG-CD2 3.66Å; P272-L284 HydrophobicContact CG-CG 4.4Å; P272-L289 HydrophobicContact CB-CD2 4.01Å; P272-L289 HydrophobicContact CG-CD2 4.33Å; P272-Q292 VanDerWaalsContact CA-OE1 3.29Å; P272-L361 HydrophobicContact CG-CD2 4.35Å
273	L	92.9	Very high	89.5	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.063	25%	0.249	C	C	.	.			trans	-106.5	90.6	167.2	-65.3	172.1	0	0	0	109.1	I210 T214 L215 L228 F270 N298	I210-L273 HydrophobicContact CD1-CD1 4.34Å; I210-L273 HydrophobicContact CG1-CD1 4.45Å; I210-L273 HydrophobicContact CG2-CD1 3.8Å; I210-L273 HydrophobicContact CG2-CD2 4.11Å; I210-L273 HydrophobicContact CG2-CG 4.47Å; T214-L273 HydrophobicContact CG2-CB 3.75Å; L215-L273 HydrophobicContact CD2-CB 4.27Å; L215-L273 HydrophobicContact CD2-CD2 4.38Å; L228-L273 HydrophobicContact CD1-CD2 3.55Å; F270-L273 HydrophobicContact CD1-CD2 4.16Å; F270-L273 WeakPolarHBondContact O-CD1 3.46Å; F270-L273 VanDerWaalsContact O-CG 3.27Å; F270-L273 WeakPolarHBondContact O-CG 3.23Å; L273-N298 HydrophobicContact CD1-CB 3.7Å
274	T	89	Confident	89.2	Confident	13 Å²	13	52 Å²	52	8%	0.08	26%	0.261	C	S	.	.			trans	-125.6	125.8	-177.3	-58.6	0	0	0	0	110.6	Q279	T274-Q279 HydrophobicContact CG2-CG 3.88Å; T274-Q279 PolarHBondContact O-NE2 2.91Å
275	S	87.6	Confident	89	Confident	13 Å²	13	54.9 Å²	54.9	9%	0.091	28%	0.279	C	S	.	.			trans	-53.2	144.2	173.7	67.9	0	0	0	0	112.2	L215 G277 S278 Q279	L215-S275 VanDerWaalsContact O-CB 3.29Å; L215-S275 WeakPolarHBondContact O-CB 3.2Å; S275-G277 VanDerWaalsContact C-N 3.25Å; S275-G277 PolarHBondContact O-N 3.43Å; S275-G277 VanDerWaalsContact O-N 3.13Å; S275-S278 PolarHBondContact O-N 2.56Å; S275-S278 WeakPolarHBondContact OG-CB 3.43Å; S275-S278 PolarHBondContact OG-OG 3.3Å; S275-Q279 PolarHBondContact O-N 3.18Å
276	R	81.5	Confident	88.9	Confident	192 Å²	192	55 Å²	55	73%	0.725	28%	0.28	S	S	*	.	H	α-helix	trans	-50.9	-42	-176.9	-65.8	-177	-178.8	178.4	2.7	113.4	S278	R276-S278 VanDerWaalsContact C-N 3.27Å; R276-S278 PolarHBondContact O-N 2.97Å
277	G	80.4	Confident	88.8	Confident	59 Å²	59	57.1 Å²	57.1	61%	0.608	29%	0.294	S	S	*	.	H	α-helix	trans	-69.9	-18.8	179.6	0	0	0	0	0	114.8	S275 Y281	S275-G277 VanDerWaalsContact C-N 3.25Å; S275-G277 PolarHBondContact O-N 3.43Å; S275-G277 VanDerWaalsContact O-N 3.13Å; G277-Y281 WeakPolarHBondContact O-CD2 3.26Å; G277-Y281 VanDerWaalsContact O-CE2 3.31Å; G277-Y281 WeakPolarHBondContact O-CE2 3.5Å
278	S	83	Confident	88.6	Confident	36 Å²	36	58.6 Å²	58.6	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-98.8	-16.4	-179.6	-54	0	0	0	0	113.3	S275 R276 Q280 Y281	S275-S278 PolarHBondContact O-N 2.56Å; S275-S278 WeakPolarHBondContact OG-CB 3.43Å; S275-S278 PolarHBondContact OG-OG 3.3Å; R276-S278 VanDerWaalsContact C-N 3.27Å; R276-S278 PolarHBondContact O-N 2.97Å; S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.22Å; S278-Y281 PolarHBondContact O-N 3.5Å; S278-Y281 VanDerWaalsContact O-N 3.09Å
279	Q	79	Confident	88.6	Confident	108 Å²	108	58.6 Å²	58.6	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-58.9	-37.5	-174.7	-75.3	-179.2	-10	0	0	113.1	T274 S275 Y281	T274-Q279 HydrophobicContact CG2-CG 3.88Å; T274-Q279 PolarHBondContact O-NE2 2.91Å; S275-Q279 PolarHBondContact O-N 3.18Å; Q279-Y281 PolarHBondContact O-N 2.8Å
280	Q	78.2	Confident	88.6	Confident	172 Å²	172	58.7 Å²	58.7	80%	0.804	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.1	-179.7	-65.7	-178.7	-2.2	0	0	113.8	S278	S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.22Å
281	Y	79.6	Confident	88.5	Confident	192 Å²	192	65.1 Å²	65.1	75%	0.753	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-0.1	-173.9	-56.3	-75.9	0	0	0	113.3	G277 S278 Q279	G277-Y281 WeakPolarHBondContact O-CD2 3.26Å; G277-Y281 VanDerWaalsContact O-CE2 3.31Å; G277-Y281 WeakPolarHBondContact O-CE2 3.5Å; S278-Y281 PolarHBondContact O-N 3.5Å; S278-Y281 VanDerWaalsContact O-N 3.09Å; Q279-Y281 PolarHBondContact O-N 2.8Å
282	R	78	Confident	88.5	Confident	130 Å²	130	66 Å²	66	49%	0.491	34%	0.335	S	S	.	.			trans	-113.3	133.4	-179.8	-72	-160.8	179.4	-172.6	5.3	111.6	E288	R282-E288 WeakPolarHBondContact CD-OE1 3.39Å; R282-E288 IonicContact CZ-OE1 3.92Å; R282-E288 IonicContact NE-OE1 2.98Å; R282-E288 IonicContact NH1-OE1 2.78Å; R282-E288 PolarHBondContact NH1-OE1 2.98Å
283	A	82.7	Confident	88.5	Confident	82 Å²	82	65.5 Å²	65.5	68%	0.678	33%	0.332	S	S	*	.			trans	-94.8	111.3	166.3	0	0	0	0	0	108.3	T285	A283-T285 PolarHBondContact O-N 2.98Å
284	L	89.8	Confident	88.5	Confident	48 Å²	48	66.4 Å²	66.4	25%	0.251	34%	0.336	S	S	.	.			trans	-65.6	132.6	176.6	-63.5	172.2	0	0	0	110.1	P272 M363	P272-L284 HydrophobicContact CB-CD2 3.51Å; P272-L284 HydrophobicContact CG-CD1 3.82Å; P272-L284 HydrophobicContact CG-CD2 3.66Å; P272-L284 HydrophobicContact CG-CG 4.4Å; L284-M363 HydrophobicContact CB-CG 3.79Å; L284-M363 HydrophobicContact CB-SD 3.93Å; L284-M363 HydrophobicContact CD1-CG 4.39Å; L284-M363 VanDerWaalsContact O-SD 3.36Å
285	T	94	Very high	88.7	Confident	62 Å²	62	68.9 Å²	68.9	38%	0.38	35%	0.348	S	S	.	.			trans	-138	159.8	179.1	61.8	0	0	0	0	110.4	A283 E288 L289	A283-T285 PolarHBondContact O-N 2.98Å; T285-E288 PolarHBondContact O-N 3.23Å; T285-E288 WeakPolarHBondContact OG1-CB 3.41Å; T285-E288 PolarHBondContact OG1-N 3.45Å; T285-L289 WeakPolarHBondContact O-CG 3.33Å; T285-L289 PolarHBondContact O-N 3.19Å
286	V	95.7	Very high	89	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-56.2	-48	176.5	177.6	0	0	0	0	111.8	E288 L289 T290 F317 M321 E325 V326 Q329 M363	V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 2.71Å; V286-L289 PolarHBondContact O-N 3.24Å; V286-T290 PolarHBondContact O-N 3.41Å; V286-T290 PolarHBondContact O-OG1 3.06Å; V286-F317 HydrophobicContact CG1-CE1 4.01Å; V286-F317 HydrophobicContact CG1-CZ 4.42Å; V286-M321 HydrophobicContact CG2-CB 4.11Å; V286-M321 HydrophobicContact CG2-CG 4.4Å; V286-M321 HydrophobicContact CG2-SD 3.85Å; V286-E325 HydrophobicContact CB-CG 4.07Å; V286-E325 HydrophobicContact CG1-CG 4.31Å; V286-E325 HydrophobicContact CG2-CG 4.34Å; V286-V326 HydrophobicContact CG1-CB 4.39Å; V286-V326 HydrophobicContact CG1-CG2 3.82Å; V286-V326 HydrophobicContact CG2-CG2 4.16Å; V286-Q329 HydrophobicContact CG1-CB 4.21Å; V286-Q329 HydrophobicContact CG1-CG 4.04Å; V286-M363 HydrophobicContact CG2-CE 3.78Å
287	P	95.6	Very high	89.5	Confident	45 Å²	45	67.5 Å²	67.5	29%	0.292	35%	0.351	S	S	.	.	H	α-helix	trans	-59	-38.3	176.9	-23	32.7	0	0	0	113.8	Q291 Q329	P287-Q291 WeakPolarHBondContact O-CB 3.44Å; P287-Q291 PolarHBondContact O-N 3.14Å; P287-Q329 HydrophobicContact CB-CG 4.31Å; P287-Q329 HydrophobicContact CG-CG 3.9Å
288	E	94.1	Very high	90.1	Very high	32 Å²	32	65.1 Å²	65.1	15%	0.15	32%	0.324	C	S	.	.	H	α-helix	trans	-66.3	-44.2	177.5	-175.5	-178.7	-175.1	0	0	111.5	R282 T285 V286 Q291 Q292	R282-E288 WeakPolarHBondContact CD-OE1 3.39Å; R282-E288 IonicContact CZ-OE1 3.92Å; R282-E288 IonicContact NE-OE1 2.98Å; R282-E288 IonicContact NH1-OE1 2.78Å; R282-E288 PolarHBondContact NH1-OE1 2.98Å; T285-E288 PolarHBondContact O-N 3.23Å; T285-E288 WeakPolarHBondContact OG1-CB 3.41Å; T285-E288 PolarHBondContact OG1-N 3.45Å; V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 2.71Å; E288-Q291 PolarHBondContact O-N 3.48Å; E288-Q292 WeakPolarHBondContact O-CG 3.37Å; E288-Q292 PolarHBondContact O-N 3.45Å; E288-Q292 PolarHBondContact OE1-NE2 3.19Å
289	L	96.4	Very high	90.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-46.1	176.2	-66.9	-178	0	0	0	111.1	A271 P272 T285 V286 Q291 Q292 M293 F317 M363 A365	A271-L289 HydrophobicContact CB-CD2 3.91Å; P272-L289 HydrophobicContact CB-CD2 4.01Å; P272-L289 HydrophobicContact CG-CD2 4.33Å; T285-L289 WeakPolarHBondContact O-CG 3.33Å; T285-L289 PolarHBondContact O-N 3.19Å; V286-L289 PolarHBondContact O-N 3.24Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; L289-Q291 PolarHBondContact O-N 3.46Å; L289-Q292 PolarHBondContact O-N 3.14Å; L289-Q292 VanDerWaalsContact O-N 3.17Å; L289-M293 WeakPolarHBondContact O-CG 3.31Å; L289-M293 PolarHBondContact O-N 2.85Å; L289-F317 HydrophobicContact CB-CE1 4.12Å; L289-F317 HydrophobicContact CD1-CD1 4.27Å; L289-F317 HydrophobicContact CD1-CE1 4.45Å; L289-M363 HydrophobicContact CD1-CB 4.31Å; L289-M363 HydrophobicContact CD1-CE 3.76Å; L289-M363 HydrophobicContact CD1-CG 3.98Å; L289-M363 HydrophobicContact CD1-SD 4.31Å; L289-A365 HydrophobicContact CB-CB 4.04Å; L289-A365 HydrophobicContact CD1-CB 4.12Å
290	T	96.3	Very high	91.4	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-43.4	177	-58.1	0	0	0	0	111.6	V286 Q292 M293 F294 F317 Q329 M330 V333	V286-T290 PolarHBondContact O-N 3.41Å; V286-T290 PolarHBondContact O-OG1 3.06Å; T290-Q292 PolarHBondContact O-N 3.25Å; T290-M293 PolarHBondContact O-N 2.98Å; T290-F294 WeakPolarHBondContact O-CD2 3.27Å; T290-F294 PolarHBondContact O-N 3.45Å; T290-F317 WeakPolarHBondContact OG1-CZ 3.18Å; T290-Q329 HydrophobicContact CG2-CB 4.35Å; T290-M330 HydrophobicContact CG2-SD 3.84Å; T290-V333 HydrophobicContact CG2-CB 3.88Å; T290-V333 HydrophobicContact CG2-CG1 3.59Å; T290-V333 HydrophobicContact CG2-CG2 4.35Å
291	Q	94.6	Very high	92.2	Very high	151 Å²	151	50.2 Å²	50.2	71%	0.706	25%	0.251	S	S	*	.	H	α-helix	trans	-63.3	-41.6	176.5	-173.9	177.7	13.5	0	0	112.1	P287 E288 L289 F294 D295	P287-Q291 WeakPolarHBondContact O-CB 3.44Å; P287-Q291 PolarHBondContact O-N 3.14Å; E288-Q291 PolarHBondContact O-N 3.48Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; L289-Q291 PolarHBondContact O-N 3.46Å; Q291-F294 PolarHBondContact O-N 2.99Å; Q291-D295 PolarHBondContact O-N 2.86Å
292	Q	95	Very high	92.8	Very high	19 Å²	19	42.9 Å²	42.9	9%	0.089	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-37	178.2	-75.5	-175	39.9	0	0	112.6	A271 P272 E288 L289 T290 F294 D295 N298	A271-Q292 HydrophobicContact CB-CB 3.84Å; P272-Q292 VanDerWaalsContact CA-OE1 3.29Å; E288-Q292 WeakPolarHBondContact O-CG 3.37Å; E288-Q292 PolarHBondContact O-N 3.45Å; E288-Q292 PolarHBondContact OE1-NE2 3.19Å; L289-Q292 PolarHBondContact O-N 3.14Å; L289-Q292 VanDerWaalsContact O-N 3.17Å; T290-Q292 PolarHBondContact O-N 3.25Å; Q292-F294 VanDerWaalsContact C-N 3.26Å; Q292-F294 PolarHBondContact O-N 3.37Å; Q292-D295 PolarHBondContact O-N 3.33Å; Q292-N298 WeakPolarHBondContact CA-ND2 3.43Å; Q292-N298 WeakPolarHBondContact CB-ND2 3.44Å; Q292-N298 WeakPolarHBondContact O-CB 3.3Å; Q292-N298 PolarHBondContact O-ND2 3.38Å
293	M	95	Very high	93.5	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-33.8	177.9	-78.1	-165.8	-62.9	0	0	113	A271 L289 T290 M299 A315 F317 M330 A365 F367	A271-M293 HydrophobicContact CB-CG 4.26Å; L289-M293 WeakPolarHBondContact O-CG 3.31Å; L289-M293 PolarHBondContact O-N 2.85Å; T290-M293 PolarHBondContact O-N 2.98Å; M293-M299 WeakPolarHBondContact O-CE 3.42Å; M293-A315 HydrophobicContact CE-CB 3.84Å; M293-A315 HydrophobicContact SD-CB 3.93Å; M293-F317 HydrophobicContact CE-CE1 3.99Å; M293-F317 HydrophobicContact CE-CE2 3.69Å; M293-F317 HydrophobicContact CE-CZ 3.26Å; M293-M330 HydrophobicContact CE-SD 3.93Å; M293-A365 HydrophobicContact CE-CB 4.07Å; M293-A365 HydrophobicContact CG-CB 4.02Å; M293-A365 HydrophobicContact SD-CB 3.49Å; M293-A365 WeakPolarHBondContact SD-CB 3.04Å; M293-F367 HydrophobicContact CB-CB 4.02Å; M293-F367 HydrophobicContact CB-CD2 4.01Å; M293-F367 HydrophobicContact CB-CG 4.34Å; M293-F367 HydrophobicContact CG-CB 4Å; M293-F367 HydrophobicContact SD-CB 4.14Å
294	F	93.6	Very high	93.9	Very high	31 Å²	31	34.1 Å²	34.1	14%	0.136	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	6.3	179.6	-76.4	-90.7	0	0	0	113.7	T290 Q291 Q292 Y310 V313 M330 V333 F341 F367	T290-F294 WeakPolarHBondContact O-CD2 3.27Å; T290-F294 PolarHBondContact O-N 3.45Å; Q291-F294 PolarHBondContact O-N 2.99Å; Q292-F294 VanDerWaalsContact C-N 3.26Å; Q292-F294 PolarHBondContact O-N 3.37Å; F294-Y310 HydrophobicContact CD1-CE2 4.3Å; F294-Y310 HydrophobicContact CE1-CE2 4.33Å; F294-V313 HydrophobicContact CZ-CG1 4.07Å; F294-M330 HydrophobicContact CE2-CE 3.9Å; F294-M330 HydrophobicContact CE2-SD 4.25Å; F294-M330 HydrophobicContact CZ-CE 4.16Å; F294-V333 HydrophobicContact CB-CG2 4.14Å; F294-V333 HydrophobicContact CD1-CG2 4.43Å; F294-V333 HydrophobicContact CD2-CB 4.4Å; F294-V333 HydrophobicContact CD2-CG1 3.81Å; F294-V333 HydrophobicContact CD2-CG2 3.68Å; F294-V333 HydrophobicContact CE2-CB 4.46Å; F294-V333 HydrophobicContact CE2-CG1 3.43Å; F294-V333 VanDerWaalsContact CE2-CG1 3.43Å; F294-V333 HydrophobicContact CE2-CG2 4.15Å; F294-V333 HydrophobicContact CG-CG2 3.82Å; F294-V333 HydrophobicContact CZ-CG1 3.92Å; F294-F341 HydrophobicContact CE1-CE2 4.32Å; F294-F341 AromaticContact CE1-CZ 3.84Å; F294-F341 HydrophobicContact CE1-CZ 3.84Å; F294-F341 HydrophobicContact CZ-CZ 4.29Å; F294-F367 HydrophobicContact CD1-CE2 4.21Å; F294-F367 HydrophobicContact CD2-CE2 4.49Å; F294-F367 AromaticContact CE1-CE2 3.86Å; F294-F367 HydrophobicContact CE1-CE2 3.86Å; F294-F367 HydrophobicContact CE1-CZ 4.43Å; F294-F367 HydrophobicContact CE2-CE2 4.17Å; F294-F367 AromaticContact CZ-CE2 3.86Å; F294-F367 HydrophobicContact CZ-CE2 3.86Å
295	D	93.5	Very high	94	Very high	64 Å²	64	32.2 Å²	32.2	34%	0.342	17%	0.172	S	C	.	.			trans	-82.7	119.1	171.6	-169.6	-20.1	0	0	0	109.1	Q291 Q292 K297 N298	Q291-D295 PolarHBondContact O-N 2.86Å; Q292-D295 PolarHBondContact O-N 3.33Å; D295-K297 PolarHBondContact O-N 3.28Å; D295-K297 WeakPolarHBondContact OD1-CB 3.25Å; D295-K297 WeakPolarHBondContact OD1-CG 3.46Å; D295-K297 PolarHBondContact OD1-N 3.05Å; D295-N298 WeakPolarHBondContact O-CB 3.37Å; D295-N298 PolarHBondContact O-N 3.46Å
296	A	92.4	Very high	93.9	Very high	27 Å²	27	36.5 Å²	36.5	22%	0.223	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-51.6	-29.9	177.8	0	0	0	0	0	112.8	N298 M299	A296-N298 PolarHBondContact O-N 2.71Å; A296-M299 PolarHBondContact O-N 2.98Å
297	K	92.8	Very high	93.8	Very high	150 Å²	150	41.7 Å²	41.7	65%	0.652	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-69.8	-13.4	178.9	-62.6	171.9	-173.3	166.7	0	114.4	I210 D295	I210-K297 VanDerWaalsContact CG1-O 3.22Å; I210-K297 WeakPolarHBondContact CG1-O 3.35Å; D295-K297 PolarHBondContact O-N 3.28Å; D295-K297 WeakPolarHBondContact OD1-CB 3.25Å; D295-K297 WeakPolarHBondContact OD1-CG 3.46Å; D295-K297 PolarHBondContact OD1-N 3.05Å
298	N	93.3	Very high	93.8	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.043	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-105	-3.7	-179	-64.5	-18.8	0	0	0	112.4	L273 Q292 D295 A296	L273-N298 HydrophobicContact CD1-CB 3.7Å; Q292-N298 WeakPolarHBondContact CA-ND2 3.43Å; Q292-N298 WeakPolarHBondContact CB-ND2 3.44Å; Q292-N298 WeakPolarHBondContact O-CB 3.3Å; Q292-N298 PolarHBondContact O-ND2 3.38Å; D295-N298 WeakPolarHBondContact O-CB 3.37Å; D295-N298 PolarHBondContact O-N 3.46Å; A296-N298 PolarHBondContact O-N 2.71Å
299	M	94.5	Very high	93.9	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-74.8	144.3	173.2	-57.4	-59.8	-177.7	0	0	109.9	M293 A296 A301 P305 Y310 F367	M293-M299 WeakPolarHBondContact O-CE 3.42Å; A296-M299 PolarHBondContact O-N 2.98Å; M299-A301 VanDerWaalsContact C-N 3.29Å; M299-P305 HydrophobicContact CE-CG 4.44Å; M299-Y310 WeakPolarHBondContact CE-OH 3.49Å; M299-F367 HydrophobicContact CE-CD1 3.6Å; M299-F367 HydrophobicContact CE-CE1 3.33Å; M299-F367 HydrophobicContact CE-CE2 4.39Å; M299-F367 HydrophobicContact CE-CG 4.25Å; M299-F367 HydrophobicContact CE-CZ 3.78Å; M299-F367 HydrophobicContact SD-CD1 3.42Å; M299-F367 WeakPolarHBondContact SD-CD1 3.48Å; M299-F367 HydrophobicContact SD-CE1 3.59Å; M299-F367 VanDerWaalsContact SD-CE1 3.59Å; M299-F367 HydrophobicContact SD-CG 4.31Å
300	M	95.1	Very high	93.9	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-89.2	5.4	179.4	-57	-165.7	176.3	0	0	113.1	I202 D203 L207 I210 L228 T232 P268 F270	I202-M300 CarbonylContact C-O 3.51Å; D203-M300 WeakPolarHBondContact CA-O 3.41Å; D203-M300 WeakPolarHBondContact CB-O 3.26Å; D203-M300 PolarHBondContact N-O 2.92Å; L207-M300 HydrophobicContact CD2-CB 4.24Å; L207-M300 HydrophobicContact CD2-CG 4.07Å; L207-M300 HydrophobicContact CD2-SD 3.86Å; I210-M300 HydrophobicContact CD1-CG 4.47Å; L228-M300 HydrophobicContact CD1-CE 3.41Å; L228-M300 VanDerWaalsContact CD1-CE 3.41Å; L228-M300 HydrophobicContact CD2-CE 4.06Å; L228-M300 HydrophobicContact CG-CE 3.4Å; L228-M300 VanDerWaalsContact CG-CE 3.4Å; L228-M300 HydrophobicContact CG-SD 4.32Å; T232-M300 HydrophobicContact CG2-CE 4.18Å; T232-M300 HydrophobicContact CG2-SD 3.93Å; T232-M300 WeakPolarHBondContact OG1-CE 3.44Å; T232-M300 PolarHBondContact OG1-SD 2.92Å; T232-M300 VanDerWaalsContact OG1-SD 3.32Å; P268-M300 HydrophobicContact CG-CB 4.18Å; P268-M300 WeakPolarHBondContact O-CB 3.47Å; P268-M300 WeakPolarHBondContact O-CG 3.49Å; P268-M300 PolarHBondContact O-N 3.05Å; F270-M300 HydrophobicContact CB-CE 3.89Å
301	A	94.2	Very high	93.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	20%	0.203	C	C	.	.	S	Bend	trans	-113.3	134.1	168.2	0	0	0	0	0	108.1	M267 M299 C303 I374	M267-A301 HydrophobicContact CB-CB 4.26Å; M267-A301 HydrophobicContact CG-CB 3.82Å; M267-A301 HydrophobicContact SD-CB 4.34Å; M299-A301 VanDerWaalsContact C-N 3.29Å; A301-C303 PolarHBondContact O-N 3.25Å; A301-I374 HydrophobicContact CB-CD1 4.23Å
302	A	92.3	Very high	94	Very high	37 Å²	37	35.9 Å²	35.9	31%	0.306	17%	0.171	S	C	.	.	S	Bend	trans	-80.3	62.3	179.1	0	0	0	0	0	110.9	D203 E205 A206	D203-A302 WeakPolarHBondContact OD2-CB 3.26Å; D203-A302 PolarHBondContact OD2-N 3.21Å; E205-A302 HydrophobicContact CB-CB 4.22Å; E205-A302 HydrophobicContact CG-CB 4.29Å; A206-A302 HydrophobicContact CB-CB 4.14Å
303	C	91.7	Very high	94	Very high	5 Å²	5	35 Å²	35	3%	0.034	17%	0.167	C	C	.	.			trans	-124.5	140.9	174.5	-55.5	0	0	0	0	107.8	M267 A301 P305 A373 E376	M267-C303 HydrophobicContact SD-CB 3.82Å; A301-C303 PolarHBondContact O-N 3.25Å; C303-P305 WeakPolarHBondContact O-CD 3.4Å; C303-A373 HydrophobicContact CB-CB 4.39Å; C303-A373 WeakPolarHBondContact CB-O 3.25Å; C303-E376 WeakPolarHBondContact CA-OE2 3.48Å; C303-E376 HydrophobicContact CB-CB 4.44Å
304	D	92.3	Very high	94	Very high	24 Å²	24	35 Å²	35	13%	0.128	17%	0.167	C	C	.	.			trans	-92	111.9	173.3	-166	-26.2	0	0	0	109.7	R306 H307 A373 E376	D304-R306 VanDerWaalsContact CG-NE 3.34Å; D304-R306 PolarHBondContact O-N 3.14Å; D304-R306 VanDerWaalsContact OD1-CB 3.25Å; D304-R306 WeakPolarHBondContact OD1-CB 3.17Å; D304-R306 VanDerWaalsContact OD1-CG 3.27Å; D304-R306 WeakPolarHBondContact OD1-CG 3.49Å; D304-R306 IonicContact OD1-CZ 2.64Å; D304-R306 PolarHBondContact OD1-N 3.05Å; D304-R306 IonicContact OD1-NE 3.72Å; D304-R306 PolarHBondContact OD1-NE 2.66Å; D304-R306 IonicContact OD1-NH2 3.65Å; D304-R306 IonicContact OD2-CZ 3.04Å; D304-R306 IonicContact OD2-NE 3.18Å; D304-R306 PolarHBondContact OD2-NE 2.86Å; D304-R306 IonicContact OD2-NH2 3.62Å; D304-R306 PolarHBondContact OD2-NH2 3.37Å; D304-H307 WeakPolarHBondContact O-CB 3.3Å; D304-H307 PolarHBondContact O-N 3.15Å; D304-H307 IonicContact OD2-NE2 3.84Å; D304-A373 WeakPolarHBondContact O-CB 3.24Å; D304-E376 PolarHBondContact N-OE2 3.14Å
305	P	91.4	Very high	94.1	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.045	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-59.3	-18.4	-179.9	-22.6	34.2	0	0	0	113.7	M267 M299 C303 H307 G308 Y310	M267-P305 HydrophobicContact CE-CG 4.27Å; M299-P305 HydrophobicContact CE-CG 4.44Å; C303-P305 WeakPolarHBondContact O-CD 3.4Å; P305-H307 PolarHBondContact O-N 3.26Å; P305-G308 CarbonylContact O-C 3.52Å; P305-G308 PolarHBondContact O-N 3.03Å; P305-G308 VanDerWaalsContact O-O 3.12Å; P305-Y310 HydrophobicContact CB-CE1 4.1Å; P305-Y310 HydrophobicContact CB-CE2 3.88Å; P305-Y310 VanDerWaalsContact CB-CZ 3.45Å; P305-Y310 WeakPolarHBondContact CB-OH 3.38Å; P305-Y310 VanDerWaalsContact CG-OH 3.26Å; P305-Y310 WeakPolarHBondContact CG-OH 3.34Å
306	R	91.4	Very high	94.1	Very high	153 Å²	153	30.9 Å²	30.9	58%	0.577	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-71.3	-17.7	175.6	-58.5	174.5	-70.4	176.5	-0.3	113.2	D304 G308 Y340	D304-R306 VanDerWaalsContact CG-NE 3.34Å; D304-R306 PolarHBondContact O-N 3.14Å; D304-R306 VanDerWaalsContact OD1-CB 3.25Å; D304-R306 WeakPolarHBondContact OD1-CB 3.17Å; D304-R306 VanDerWaalsContact OD1-CG 3.27Å; D304-R306 WeakPolarHBondContact OD1-CG 3.49Å; D304-R306 IonicContact OD1-CZ 2.64Å; D304-R306 PolarHBondContact OD1-N 3.05Å; D304-R306 IonicContact OD1-NE 3.72Å; D304-R306 PolarHBondContact OD1-NE 2.66Å; D304-R306 IonicContact OD1-NH2 3.65Å; D304-R306 IonicContact OD2-CZ 3.04Å; D304-R306 IonicContact OD2-NE 3.18Å; D304-R306 PolarHBondContact OD2-NE 2.86Å; D304-R306 IonicContact OD2-NH2 3.62Å; D304-R306 PolarHBondContact OD2-NH2 3.37Å; R306-G308 VanDerWaalsContact C-N 3.3Å; R306-Y340 HydrophobicContact CB-CE1 4.11Å; R306-Y340 HydrophobicContact CG-CE1 4.26Å; R306-Y340 HydrophobicContact CG-CE2 4.07Å
307	H	94.1	Very high	94.2	Very high	112 Å²	112	29.6 Å²	29.6	52%	0.519	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-88.5	0.4	175	-58.7	165.7	0	0	0	112.7	D304 P305 E376	D304-H307 WeakPolarHBondContact O-CB 3.3Å; D304-H307 PolarHBondContact O-N 3.15Å; D304-H307 IonicContact OD2-NE2 3.84Å; P305-H307 PolarHBondContact O-N 3.26Å; H307-E376 WeakPolarHBondContact CB-OE1 3.47Å; H307-E376 IonicContact CE1-OE1 3.25Å; H307-E376 IonicContact CG-OE1 3.91Å; H307-E376 IonicContact ND1-OE1 3.2Å; H307-E376 PolarHBondContact ND1-OE1 2.84Å; H307-E376 IonicContact ND1-OE2 2.91Å
308	G	95	Very high	94.1	Very high	5 Å²	5	22.5 Å²	22.5	5%	0.052	11%	0.106	C	C	.	.	S	Bend	trans	-142.6	-156.6	175.2	0	0	0	0	0	112.4	P305 R306 T372 Q426	P305-G308 CarbonylContact O-C 3.52Å; P305-G308 PolarHBondContact O-N 3.03Å; P305-G308 VanDerWaalsContact O-O 3.12Å; R306-G308 VanDerWaalsContact C-N 3.3Å; G308-T372 WeakPolarHBondContact CA-OG1 3.04Å; G308-Q426 VanDerWaalsContact CA-OE1 3.29Å
309	R	96.5	Very high	94	Very high	93 Å²	93	22.1 Å²	22.1	35%	0.351	10%	0.104	S	C	.	.			trans	-131.2	136.1	177.5	-60.4	-66	-174.5	125.8	0.5	110	L311 S339 Y340 F341 V342 S371 T372 Q426	R309-L311 PolarHBondContact O-N 3.1Å; R309-S339 WeakPolarHBondContact CD-O 3.3Å; R309-S339 PolarHBondContact NE-O 2.99Å; R309-S339 VanDerWaalsContact NE-O 3.11Å; R309-S339 PolarHBondContact NH1-O 3.17Å; R309-Y340 CarbonylContact C-O 3.5Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.26Å; R309-F341 PolarHBondContact NH1-O 2.76Å; R309-F341 VanDerWaalsContact NH1-O 3.11Å; R309-V342 HydrophobicContact CB-CG1 3.63Å; R309-V342 HydrophobicContact CG-CG1 4.38Å; R309-S371 CarbonylContact O-C 3.58Å; R309-S371 WeakPolarHBondContact O-CA 3.46Å; R309-S371 WeakPolarHBondContact O-CB 3.47Å; R309-T372 PolarHBondContact N-OG1 2.71Å; R309-T372 PolarHBondContact O-N 2.81Å; R309-Q426 HydrophobicContact CG-CG 4.09Å
310	Y	96.9	Very high	93.7	Very high	6 Å²	6	32.7 Å²	32.7	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	118.7	165.3	-69.3	-67.1	0	0	0	109.5	M267 F294 M299 P305 V313 Y340 F341 V342 F367 N370 S371	M267-Y310 HydrophobicContact CE-CE1 4.25Å; F294-Y310 HydrophobicContact CD1-CE2 4.3Å; F294-Y310 HydrophobicContact CE1-CE2 4.33Å; M299-Y310 WeakPolarHBondContact CE-OH 3.49Å; P305-Y310 HydrophobicContact CB-CE1 4.1Å; P305-Y310 HydrophobicContact CB-CE2 3.88Å; P305-Y310 VanDerWaalsContact CB-CZ 3.45Å; P305-Y310 WeakPolarHBondContact CB-OH 3.38Å; P305-Y310 VanDerWaalsContact CG-OH 3.26Å; P305-Y310 WeakPolarHBondContact CG-OH 3.34Å; Y310-V313 HydrophobicContact CD1-CG2 3.61Å; Y310-V313 HydrophobicContact CD2-CG2 4.47Å; Y310-V313 HydrophobicContact CE1-CG2 4.17Å; Y310-V313 HydrophobicContact CG-CG2 3.79Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.39Å; Y310-Y340 PolarHBondContact N-O 2.8Å; Y310-F341 HydrophobicContact CD2-CD2 4.4Å; Y310-F341 HydrophobicContact CD2-CE1 4.2Å; Y310-F341 HydrophobicContact CD2-CE2 4.07Å; Y310-F341 AromaticContact CD2-CZ 3.98Å; Y310-F341 HydrophobicContact CD2-CZ 3.98Å; Y310-F341 HydrophobicContact CG-CD1 4.42Å; Y310-F341 HydrophobicContact CG-CE1 4.16Å; Y310-F341 HydrophobicContact CG-CZ 4.37Å; Y310-V342 PolarHBondContact O-N 2.77Å; Y310-F367 HydrophobicContact CD1-CZ 4.41Å; Y310-F367 HydrophobicContact CE1-CE1 4.11Å; Y310-F367 AromaticContact CE1-CZ 3.61Å; Y310-F367 HydrophobicContact CE1-CZ 3.61Å; Y310-F367 AromaticContact CZ-CZ 3.88Å; Y310-N370 CarbonylContact C-O 3.5Å; Y310-N370 WeakPolarHBondContact CA-O 3.25Å; Y310-S371 VanDerWaalsContact CD1-CB 3.46Å
311	L	97	Very high	93.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-53.1	166.3	-56.1	-176.2	0	0	0	108.8	P259 L263 R309 V342 W344 I345 N348 N370 T372	P259-L311 HydrophobicContact CG-CB 4.21Å; P259-L311 HydrophobicContact CG-CD1 4.08Å; L263-L311 HydrophobicContact CB-CD1 4.19Å; L263-L311 HydrophobicContact CD1-CD1 3.63Å; R309-L311 PolarHBondContact O-N 3.1Å; L311-V342 HydrophobicContact CD2-CG1 3.74Å; L311-V342 HydrophobicContact CD2-CG2 4.4Å; L311-W344 HydrophobicContact CD2-CH2 3.91Å; L311-W344 HydrophobicContact CD2-CZ2 3.84Å; L311-I345 HydrophobicContact CB-CD1 4.1Å; L311-I345 WeakPolarHBondContact O-CD1 3.49Å; L311-N348 VanDerWaalsContact O-CB 3.22Å; L311-N348 WeakPolarHBondContact O-CB 3.43Å; L311-N370 HydrophobicContact CB-CB 4.37Å; L311-N370 PolarHBondContact N-O 3.42Å; L311-T372 HydrophobicContact CD2-CG2 3.84Å; L311-T372 HydrophobicContact CG-CG2 4.22Å
312	T	96.1	Very high	93.4	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.4	178.5	66.5	0	0	0	0	110.8	M257 I345 N348 N370	M257-T312 VanDerWaalsContact CA-OG1 3.32Å; M257-T312 WeakPolarHBondContact CA-OG1 3.4Å; M257-T312 WeakPolarHBondContact CE-OG1 3.35Å; M257-T312 PolarHBondContact O-OG1 3.04Å; T312-I345 HydrophobicContact CG2-CD1 4.41Å; T312-N348 CarbonylContact C-O 3.5Å; T312-N348 VanDerWaalsContact CA-O 3.28Å; T312-N348 WeakPolarHBondContact CA-O 3.36Å; T312-N370 PolarHBondContact N-O 3.04Å; T312-N370 PolarHBondContact O-N 3.5Å; T312-N370 VanDerWaalsContact OG1-CB 3.23Å; T312-N370 WeakPolarHBondContact OG1-CB 3.35Å
313	V	96	Very high	93.3	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.5	176.8	168.7	0	0	0	0	109.2	F294 Y310 F341 N348 V349 K350 F367 I368	F294-V313 HydrophobicContact CZ-CG1 4.07Å; Y310-V313 HydrophobicContact CD1-CG2 3.61Å; Y310-V313 HydrophobicContact CD2-CG2 4.47Å; Y310-V313 HydrophobicContact CE1-CG2 4.17Å; Y310-V313 HydrophobicContact CG-CG2 3.79Å; V313-F341 HydrophobicContact CB-CE1 4.28Å; V313-F341 HydrophobicContact CG2-CE1 3.68Å; V313-F341 HydrophobicContact CG2-CZ 4.07Å; V313-N348 PolarHBondContact N-O 3.2Å; V313-V349 HydrophobicContact CB-CG2 4.29Å; V313-V349 HydrophobicContact CG1-CG1 4.47Å; V313-V349 CarbonylContact O-C 3.54Å; V313-V349 WeakPolarHBondContact O-CA 3.45Å; V313-K350 PolarHBondContact O-N 3.21Å; V313-F367 HydrophobicContact CB-CE2 4.39Å; V313-F367 HydrophobicContact CG1-CD2 4.03Å; V313-F367 HydrophobicContact CG1-CE2 3.37Å; V313-F367 HydrophobicContact CG1-CZ 3.98Å; V313-F367 HydrophobicContact CG2-CE2 4.11Å; V313-F367 HydrophobicContact CG2-CZ 3.94Å; V313-I368 CarbonylContact C-O 3.59Å; V313-I368 WeakPolarHBondContact CA-O 3.48Å
314	A	94.3	Very high	93.4	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137	163.6	0	0	0	0	0	110.7	M257 K350 I368	M257-A314 HydrophobicContact CE-CB 4.03Å; M257-A314 HydrophobicContact SD-CB 3.61Å; A314-K350 CarbonylContact C-O 3.54Å; A314-K350 VanDerWaalsContact CA-O 3.3Å; A314-K350 WeakPolarHBondContact CA-O 3.06Å; A314-K350 HydrophobicContact CB-CB 4.37Å; A314-I368 HydrophobicContact CB-CB 4.23Å; A314-I368 HydrophobicContact CB-CD1 4.4Å; A314-I368 PolarHBondContact N-O 3.42Å; A314-I368 PolarHBondContact O-N 3.2Å
315	A	94.7	Very high	93.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.8	173.7	0	0	0	0	0	109.9	M293 F317 M330 K350 T351 A352 T366	M293-A315 HydrophobicContact CE-CB 3.84Å; M293-A315 HydrophobicContact SD-CB 3.93Å; A315-F317 HydrophobicContact CB-CD2 4.38Å; A315-F317 HydrophobicContact CB-CE2 3.85Å; A315-M330 HydrophobicContact CB-CE 3.65Å; A315-M330 HydrophobicContact CB-SD 4Å; A315-K350 PolarHBondContact N-O 2.83Å; A315-T351 CarbonylContact O-C 3.56Å; A315-T351 WeakPolarHBondContact O-CA 3.38Å; A315-A352 PolarHBondContact O-N 3.04Å; A315-T366 CarbonylContact C-O 3.39Å; A315-T366 WeakPolarHBondContact CA-O 3.36Å
316	V	93.9	Very high	93.7	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.055	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	103.5	179.3	-176.4	0	0	0	0	108.9	A352 A365 T366	V316-A352 HydrophobicContact CG2-CB 4.4Å; V316-A365 CarbonylContact O-C 3.48Å; V316-A365 VanDerWaalsContact O-CA 3.28Å; V316-A365 WeakPolarHBondContact O-CA 3.31Å; V316-T366 PolarHBondContact N-O 3.03Å; V316-T366 PolarHBondContact O-N 3.01Å
317	F	94.4	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	144	174.6	-70.7	-97	0	0	0	111.1	V286 L289 T290 M293 A315 M321 V326 M330 A352 V353 C354 A365	V286-F317 HydrophobicContact CG1-CE1 4.01Å; V286-F317 HydrophobicContact CG1-CZ 4.42Å; L289-F317 HydrophobicContact CB-CE1 4.12Å; L289-F317 HydrophobicContact CD1-CD1 4.27Å; L289-F317 HydrophobicContact CD1-CE1 4.45Å; T290-F317 WeakPolarHBondContact OG1-CZ 3.18Å; M293-F317 HydrophobicContact CE-CE1 3.99Å; M293-F317 HydrophobicContact CE-CE2 3.69Å; M293-F317 HydrophobicContact CE-CZ 3.26Å; A315-F317 HydrophobicContact CB-CD2 4.38Å; A315-F317 HydrophobicContact CB-CE2 3.85Å; F317-M321 HydrophobicContact CB-CE 3.97Å; F317-M321 HydrophobicContact CB-SD 3.62Å; F317-M321 HydrophobicContact CD1-CE 4.48Å; F317-M321 HydrophobicContact CD1-SD 3.71Å; F317-M321 HydrophobicContact CG-SD 3.99Å; F317-V326 HydrophobicContact CD1-CG2 4.23Å; F317-V326 HydrophobicContact CD2-CG1 3.52Å; F317-V326 HydrophobicContact CD2-CG2 4.27Å; F317-V326 HydrophobicContact CE1-CG2 4.48Å; F317-V326 HydrophobicContact CE2-CG1 3.46Å; F317-V326 VanDerWaalsContact CE2-CG1 3.46Å; F317-V326 HydrophobicContact CG-CG1 4.2Å; F317-V326 HydrophobicContact CG-CG2 4.1Å; F317-V326 HydrophobicContact CZ-CG1 4.09Å; F317-M330 HydrophobicContact CE2-CG 4.17Å; F317-M330 HydrophobicContact CE2-SD 4.08Å; F317-M330 HydrophobicContact CZ-CG 4.45Å; F317-M330 HydrophobicContact CZ-SD 4.17Å; F317-A352 PolarHBondContact N-O 3.39Å; F317-V353 HydrophobicContact CB-CG2 4.26Å; F317-V353 CarbonylContact O-C 3.6Å; F317-V353 WeakPolarHBondContact O-CA 3.24Å; F317-C354 PolarHBondContact O-N 3.48Å; F317-A365 HydrophobicContact CD1-CB 3.76Å; F317-A365 HydrophobicContact CE1-CB 3.88Å; F317-A365 HydrophobicContact CG-CB 4.24Å; F317-A365 HydrophobicContact CZ-CB 4.44Å
318	R	92.2	Very high	93.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.2	-177.1	-60.1	-174.7	61.4	179.6	-0	110.7	E27 S234 T238 M321 C354 I356 M363 A364	E27-R318 IonicContact OE1-CZ 3.78Å; E27-R318 IonicContact OE1-NH1 2.61Å; E27-R318 PolarHBondContact OE1-NH1 3.35Å; E27-R318 IonicContact OE1-NH2 3.71Å; E27-R318 PolarHBondContact OE1-NH2 3.36Å; E27-R318 IonicContact OE2-CZ 3.45Å; E27-R318 IonicContact OE2-NH1 3.78Å; E27-R318 PolarHBondContact OE2-NH1 2.93Å; E27-R318 IonicContact OE2-NH2 3.78Å; E27-R318 PolarHBondContact OE2-NH2 3.12Å; S234-R318 PolarHBondContact OG-NH1 3.09Å; T238-R318 HydrophobicContact CG2-CG 4.06Å; T238-R318 WeakPolarHBondContact OG1-CD 3.36Å; T238-R318 VanDerWaalsContact OG1-CZ 3.31Å; T238-R318 PolarHBondContact OG1-NE 3.21Å; T238-R318 PolarHBondContact OG1-NH1 2.88Å; R318-M321 VanDerWaalsContact C-CE 3.45Å; R318-M321 WeakPolarHBondContact O-CE 3.38Å; R318-C354 CarbonylContact C-O 3.49Å; R318-C354 VanDerWaalsContact CA-O 3.26Å; R318-C354 WeakPolarHBondContact CA-O 3.27Å; R318-I356 PolarHBondContact NE-O 3.47Å; R318-I356 PolarHBondContact NH2-O 2.89Å; R318-M363 CarbonylContact O-C 3.54Å; R318-M363 WeakPolarHBondContact O-CA 3.4Å; R318-M363 WeakPolarHBondContact O-CB 3.33Å; R318-A364 HydrophobicContact CB-CB 4.46Å; R318-A364 PolarHBondContact N-O 3.45Å; R318-A364 PolarHBondContact O-N 3.18Å
319	G	90.6	Very high	94	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	105.2	166.3	-175.1	0	0	0	0	0	113.1	M321 C354	G319-M321 VanDerWaalsContact O-CE 3.23Å; G319-M321 WeakPolarHBondContact O-CE 3.41Å; G319-M321 PolarHBondContact O-N 2.84Å; G319-M321 VanDerWaalsContact O-N 3.17Å; G319-C354 PolarHBondContact N-O 3.22Å
320	R	88.4	Confident	94	Very high	226 Å²	226	40.4 Å²	40.4	85%	0.853	19%	0.188	S	C	*	.	S	Bend	trans	-70.8	110	-178.4	-64	-176.5	-176.9	-178.2	1.2	110.8
321	M	91.2	Very high	93.9	Very high	34 Å²	34	45.1 Å²	45.1	17%	0.167	21%	0.213	C	C	.	.			trans	-149.8	166.2	178.3	65.3	-166.9	83.5	0	0	112.1	V286 F317 R318 G319 M323 V326 V353 M363	V286-M321 HydrophobicContact CG2-CB 4.11Å; V286-M321 HydrophobicContact CG2-CG 4.4Å; V286-M321 HydrophobicContact CG2-SD 3.85Å; F317-M321 HydrophobicContact CB-CE 3.97Å; F317-M321 HydrophobicContact CB-SD 3.62Å; F317-M321 HydrophobicContact CD1-CE 4.48Å; F317-M321 HydrophobicContact CD1-SD 3.71Å; F317-M321 HydrophobicContact CG-SD 3.99Å; R318-M321 VanDerWaalsContact C-CE 3.45Å; R318-M321 WeakPolarHBondContact O-CE 3.38Å; G319-M321 VanDerWaalsContact O-CE 3.23Å; G319-M321 WeakPolarHBondContact O-CE 3.41Å; G319-M321 PolarHBondContact O-N 2.84Å; G319-M321 VanDerWaalsContact O-N 3.17Å; M321-M323 PolarHBondContact O-N 3.17Å; M321-V326 HydrophobicContact CG-CG2 4.05Å; M321-V326 HydrophobicContact SD-CG2 3.8Å; M321-V353 HydrophobicContact CG-CG1 3.98Å; M321-M363 HydrophobicContact CB-CE 4.33Å; M321-M363 HydrophobicContact CE-CB 3.89Å; M321-M363 HydrophobicContact CE-CE 3.73Å; M321-M363 HydrophobicContact SD-CE 3.85Å
322	S	91.2	Very high	93.8	Very high	60 Å²	60	47 Å²	47	42%	0.42	23%	0.227	S	C	.	.			trans	-77.9	117.7	178.1	174.4	0	0	0	0	110.4	K324 E325 V326	S322-K324 PolarHBondContact O-N 2.88Å; S322-E325 WeakPolarHBondContact O-CB 3.37Å; S322-E325 PolarHBondContact O-N 3.3Å; S322-E325 PolarHBondContact OG-N 3.25Å; S322-V326 PolarHBondContact O-N 2.82Å; S322-V326 VanDerWaalsContact O-N 3.08Å
323	M	90	Very high	93.7	Very high	75 Å²	75	47.6 Å²	47.6	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-57.8	-38.5	174	-172.7	173.9	-174.6	0	0	111.9	M321 E325 V326 D327	M321-M323 PolarHBondContact O-N 3.17Å; M323-E325 VanDerWaalsContact C-N 3.28Å; M323-E325 PolarHBondContact O-N 3.46Å; M323-V326 WeakPolarHBondContact O-CB 3.42Å; M323-V326 PolarHBondContact O-N 3.18Å; M323-V326 VanDerWaalsContact O-N 3.17Å; M323-D327 PolarHBondContact O-N 2.98Å
324	K	94.1	Very high	93.6	Very high	141 Å²	141	49.8 Å²	49.8	61%	0.613	24%	0.24	S	C	*	.	H	α-helix	trans	-58.5	-41	174.9	178.1	179.7	171.8	-179.8	0	112.2	S322 E328	S322-K324 PolarHBondContact O-N 2.88Å; K324-E328 WeakPolarHBondContact CE-OE1 3.4Å; K324-E328 IonicContact NZ-OE1 3.93Å; K324-E328 WeakPolarHBondContact O-CB 3.38Å; K324-E328 VanDerWaalsContact O-CG 3.28Å; K324-E328 WeakPolarHBondContact O-CG 3.34Å; K324-E328 PolarHBondContact O-N 3.05Å
325	E	95.4	Very high	93.5	Very high	72 Å²	72	53.5 Å²	53.5	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-68.3	-40.3	178.5	-174	-178.6	-170.7	0	0	110.9	V286 S322 M323 E328 Q329	V286-E325 HydrophobicContact CB-CG 4.07Å; V286-E325 HydrophobicContact CG1-CG 4.31Å; V286-E325 HydrophobicContact CG2-CG 4.34Å; S322-E325 WeakPolarHBondContact O-CB 3.37Å; S322-E325 PolarHBondContact O-N 3.3Å; S322-E325 PolarHBondContact OG-N 3.25Å; M323-E325 VanDerWaalsContact C-N 3.28Å; M323-E325 PolarHBondContact O-N 3.46Å; E325-E328 PolarHBondContact O-N 2.85Å; E325-Q329 WeakPolarHBondContact O-CB 3.44Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.27Å; E325-Q329 PolarHBondContact O-N 2.68Å
326	V	94.5	Very high	93.4	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.6	-51.8	173.9	171.4	0	0	0	0	110.8	V286 F317 M321 S322 M323 E328 Q329 M330 T351 V353	V286-V326 HydrophobicContact CG1-CB 4.39Å; V286-V326 HydrophobicContact CG1-CG2 3.82Å; V286-V326 HydrophobicContact CG2-CG2 4.16Å; F317-V326 HydrophobicContact CD1-CG2 4.23Å; F317-V326 HydrophobicContact CD2-CG1 3.52Å; F317-V326 HydrophobicContact CD2-CG2 4.27Å; F317-V326 HydrophobicContact CE1-CG2 4.48Å; F317-V326 HydrophobicContact CE2-CG1 3.46Å; F317-V326 VanDerWaalsContact CE2-CG1 3.46Å; F317-V326 HydrophobicContact CG-CG1 4.2Å; F317-V326 HydrophobicContact CG-CG2 4.1Å; F317-V326 HydrophobicContact CZ-CG1 4.09Å; M321-V326 HydrophobicContact CG-CG2 4.05Å; M321-V326 HydrophobicContact SD-CG2 3.8Å; S322-V326 PolarHBondContact O-N 2.82Å; S322-V326 VanDerWaalsContact O-N 3.08Å; M323-V326 WeakPolarHBondContact O-CB 3.42Å; M323-V326 PolarHBondContact O-N 3.18Å; M323-V326 VanDerWaalsContact O-N 3.17Å; V326-E328 PolarHBondContact O-N 3.35Å; V326-Q329 PolarHBondContact O-N 3.28Å; V326-M330 HydrophobicContact CG1-CG 4.26Å; V326-M330 WeakPolarHBondContact O-CB 3.48Å; V326-M330 WeakPolarHBondContact O-CG 3.33Å; V326-M330 PolarHBondContact O-N 3.37Å; V326-T351 HydrophobicContact CG1-CG2 4.45Å; V326-V353 HydrophobicContact CB-CG2 4.47Å; V326-V353 HydrophobicContact CG1-CG2 4.35Å; V326-V353 HydrophobicContact CG2-CG2 4.18Å
327	D	94.2	Very high	93.3	Very high	56 Å²	56	62.5 Å²	62.5	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-43	-178.6	-65.7	-26.7	0	0	0	111.7	M323 Q329 M330 L331 T351	M323-D327 PolarHBondContact O-N 2.98Å; D327-Q329 PolarHBondContact O-N 2.98Å; D327-M330 PolarHBondContact O-N 3.3Å; D327-L331 WeakPolarHBondContact O-CB 3.3Å; D327-L331 VanDerWaalsContact O-CG 3.27Å; D327-L331 WeakPolarHBondContact O-CG 3.28Å; D327-L331 PolarHBondContact O-N 3.27Å; D327-T351 PolarHBondContact OD1-OG1 3.41Å
328	E	96.5	Very high	93.2	Very high	103 Å²	103	66.1 Å²	66.1	48%	0.481	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-42.9	176	-75.9	175.1	178.4	0	0	112.4	K324 E325 V326 S332	K324-E328 WeakPolarHBondContact CE-OE1 3.4Å; K324-E328 IonicContact NZ-OE1 3.93Å; K324-E328 WeakPolarHBondContact O-CB 3.38Å; K324-E328 VanDerWaalsContact O-CG 3.28Å; K324-E328 WeakPolarHBondContact O-CG 3.34Å; K324-E328 PolarHBondContact O-N 3.05Å; E325-E328 PolarHBondContact O-N 2.85Å; V326-E328 PolarHBondContact O-N 3.35Å; E328-S332 VanDerWaalsContact O-CB 3.28Å; E328-S332 WeakPolarHBondContact O-CB 3.26Å; E328-S332 PolarHBondContact O-N 2.85Å
329	Q	96.5	Very high	93.2	Very high	53 Å²	53	69.1 Å²	69.1	25%	0.248	35%	0.353	C	S	.	.	H	α-helix	trans	-70.3	-37.4	178	-69	-51.5	-52.9	0	0	112.4	V286 P287 T290 E325 V326 D327 S332 V333	V286-Q329 HydrophobicContact CG1-CB 4.21Å; V286-Q329 HydrophobicContact CG1-CG 4.04Å; P287-Q329 HydrophobicContact CB-CG 4.31Å; P287-Q329 HydrophobicContact CG-CG 3.9Å; T290-Q329 HydrophobicContact CG2-CB 4.35Å; E325-Q329 WeakPolarHBondContact O-CB 3.44Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.27Å; E325-Q329 PolarHBondContact O-N 2.68Å; V326-Q329 PolarHBondContact O-N 3.28Å; D327-Q329 PolarHBondContact O-N 2.98Å; Q329-S332 WeakPolarHBondContact O-CB 3.47Å; Q329-S332 PolarHBondContact O-N 3.45Å; Q329-V333 PolarHBondContact O-N 3.06Å
330	M	95.5	Very high	93.4	Very high	5 Å²	5	72.6 Å²	72.6	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-68.7	-41.5	178.6	-71.4	-63.6	-56	0	0	111.6	T290 M293 F294 A315 F317 V326 D327 S332 V333 Q334 V349 T351	T290-M330 HydrophobicContact CG2-SD 3.84Å; M293-M330 HydrophobicContact CE-SD 3.93Å; F294-M330 HydrophobicContact CE2-CE 3.9Å; F294-M330 HydrophobicContact CE2-SD 4.25Å; F294-M330 HydrophobicContact CZ-CE 4.16Å; A315-M330 HydrophobicContact CB-CE 3.65Å; A315-M330 HydrophobicContact CB-SD 4Å; F317-M330 HydrophobicContact CE2-CG 4.17Å; F317-M330 HydrophobicContact CE2-SD 4.08Å; F317-M330 HydrophobicContact CZ-CG 4.45Å; F317-M330 HydrophobicContact CZ-SD 4.17Å; V326-M330 HydrophobicContact CG1-CG 4.26Å; V326-M330 WeakPolarHBondContact O-CB 3.48Å; V326-M330 WeakPolarHBondContact O-CG 3.33Å; V326-M330 PolarHBondContact O-N 3.37Å; D327-M330 PolarHBondContact O-N 3.3Å; M330-S332 VanDerWaalsContact C-N 3.33Å; M330-S332 PolarHBondContact O-N 3.31Å; M330-V333 VanDerWaalsContact O-CG1 3.3Å; M330-V333 WeakPolarHBondContact O-CG1 3.32Å; M330-V333 PolarHBondContact O-N 2.9Å; M330-V333 HydrophobicContact SD-CG1 4.35Å; M330-Q334 VanDerWaalsContact O-CB 3.31Å; M330-Q334 WeakPolarHBondContact O-CB 3.27Å; M330-Q334 PolarHBondContact O-N 3.36Å; M330-V349 HydrophobicContact CE-CG1 3.54Å; M330-T351 HydrophobicContact CB-CG2 3.83Å; M330-T351 HydrophobicContact CE-CG2 4.13Å; M330-T351 HydrophobicContact CG-CG2 3.56Å
331	L	94.7	Very high	93.7	Very high	104 Å²	104	62.2 Å²	62.2	55%	0.545	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-39.8	171.4	-71.2	170.8	0	0	0	112	D327 S335	D327-L331 WeakPolarHBondContact O-CB 3.3Å; D327-L331 VanDerWaalsContact O-CG 3.27Å; D327-L331 WeakPolarHBondContact O-CG 3.28Å; D327-L331 PolarHBondContact O-N 3.27Å; L331-S335 WeakPolarHBondContact O-CB 3.39Å; L331-S335 PolarHBondContact O-N 3.28Å; L331-S335 PolarHBondContact O-OG 3.08Å
332	S	95.9	Very high	93.8	Very high	41 Å²	41	61 Å²	61	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-45.8	178.1	-176	0	0	0	0	112.3	E328 Q329 M330 S335 K336	E328-S332 VanDerWaalsContact O-CB 3.28Å; E328-S332 WeakPolarHBondContact O-CB 3.26Å; E328-S332 PolarHBondContact O-N 2.85Å; Q329-S332 WeakPolarHBondContact O-CB 3.47Å; Q329-S332 PolarHBondContact O-N 3.45Å; M330-S332 VanDerWaalsContact C-N 3.33Å; M330-S332 PolarHBondContact O-N 3.31Å; S332-S335 PolarHBondContact O-N 2.98Å; S332-K336 VanDerWaalsContact O-CG 3.28Å; S332-K336 WeakPolarHBondContact O-CG 3.36Å; S332-K336 PolarHBondContact O-N 3.29Å
333	V	94.1	Very high	93.8	Very high	16 Å²	16	64.8 Å²	64.8	10%	0.097	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-37.2	179.1	75	0	0	0	0	111.6	T290 F294 Q329 M330 K336 N337	T290-V333 HydrophobicContact CG2-CB 3.88Å; T290-V333 HydrophobicContact CG2-CG1 3.59Å; T290-V333 HydrophobicContact CG2-CG2 4.35Å; F294-V333 HydrophobicContact CB-CG2 4.14Å; F294-V333 HydrophobicContact CD1-CG2 4.43Å; F294-V333 HydrophobicContact CD2-CB 4.4Å; F294-V333 HydrophobicContact CD2-CG1 3.81Å; F294-V333 HydrophobicContact CD2-CG2 3.68Å; F294-V333 HydrophobicContact CE2-CB 4.46Å; F294-V333 HydrophobicContact CE2-CG1 3.43Å; F294-V333 VanDerWaalsContact CE2-CG1 3.43Å; F294-V333 HydrophobicContact CE2-CG2 4.15Å; F294-V333 HydrophobicContact CG-CG2 3.82Å; F294-V333 HydrophobicContact CZ-CG1 3.92Å; Q329-V333 PolarHBondContact O-N 3.06Å; M330-V333 VanDerWaalsContact O-CG1 3.3Å; M330-V333 WeakPolarHBondContact O-CG1 3.32Å; M330-V333 PolarHBondContact O-N 2.9Å; M330-V333 HydrophobicContact SD-CG1 4.35Å; V333-K336 PolarHBondContact O-N 3.33Å; V333-N337 WeakPolarHBondContact CG2-ND2 3.2Å; V333-N337 WeakPolarHBondContact O-CB 3.41Å; V333-N337 PolarHBondContact O-N 2.52Å; V333-N337 PolarHBondContact O-ND2 3.2Å
334	Q	92.8	Very high	93.8	Very high	47 Å²	47	63.2 Å²	63.2	22%	0.22	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-46.5	173.8	-173.2	-172.3	23.6	0	0	110.7	M330 K336 N337 S338 F341 N348 V349	M330-Q334 VanDerWaalsContact O-CB 3.31Å; M330-Q334 WeakPolarHBondContact O-CB 3.27Å; M330-Q334 PolarHBondContact O-N 3.36Å; Q334-K336 PolarHBondContact O-N 3.43Å; Q334-N337 CarbonylContact O-C 3.43Å; Q334-N337 VanDerWaalsContact O-C 3.29Å; Q334-N337 PolarHBondContact O-N 2.96Å; Q334-S338 WeakPolarHBondContact O-CA 3.35Å; Q334-S338 PolarHBondContact O-N 3.24Å; Q334-F341 HydrophobicContact CG-CD2 4.34Å; Q334-F341 HydrophobicContact CG-CE2 4.16Å; Q334-F341 HydrophobicContact CG-CZ 4.3Å; Q334-N348 PolarHBondContact NE2-OD1 3.47Å; Q334-V349 HydrophobicContact CG-CG2 4.02Å
335	S	92.7	Very high	93.7	Very high	81 Å²	81	57.9 Å²	57.9	57%	0.566	30%	0.3	S	S	*	.	H	α-helix	trans	-60.6	-44.4	179	-60.7	0	0	0	0	112.1	L331 S332 N337 S338	L331-S335 WeakPolarHBondContact O-CB 3.39Å; L331-S335 PolarHBondContact O-N 3.28Å; L331-S335 PolarHBondContact O-OG 3.08Å; S332-S335 PolarHBondContact O-N 2.98Å; S335-N337 VanDerWaalsContact C-N 3.27Å; S335-N337 PolarHBondContact O-N 3.37Å; S335-S338 WeakPolarHBondContact O-CB 3.38Å; S335-S338 PolarHBondContact O-N 2.85Å; S335-S338 PolarHBondContact O-OG 3.36Å
336	K	93.6	Very high	93.3	Very high	158 Å²	158	59.1 Å²	59.1	69%	0.687	32%	0.315	S	S	*	.	H	α-helix	trans	-64.2	-32	177.6	-74.3	171.3	-175.9	171.5	0	113.1	S332 V333 Q334	S332-K336 VanDerWaalsContact O-CG 3.28Å; S332-K336 WeakPolarHBondContact O-CG 3.36Å; S332-K336 PolarHBondContact O-N 3.29Å; V333-K336 PolarHBondContact O-N 3.33Å; Q334-K336 PolarHBondContact O-N 3.43Å
337	N	91.7	Very high	93	Very high	40 Å²	40	65.1 Å²	65.1	21%	0.214	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	20.9	-177.4	-66.4	-62.5	0	0	0	112.2	V333 Q334 S335 S339 Y340 F341	V333-N337 WeakPolarHBondContact CG2-ND2 3.2Å; V333-N337 WeakPolarHBondContact O-CB 3.41Å; V333-N337 PolarHBondContact O-N 2.52Å; V333-N337 PolarHBondContact O-ND2 3.2Å; Q334-N337 CarbonylContact O-C 3.43Å; Q334-N337 VanDerWaalsContact O-C 3.29Å; Q334-N337 PolarHBondContact O-N 2.96Å; S335-N337 VanDerWaalsContact C-N 3.27Å; S335-N337 PolarHBondContact O-N 3.37Å; N337-S339 PolarHBondContact O-N 3.37Å; N337-S339 VanDerWaalsContact O-N 3.1Å; N337-Y340 HydrophobicContact CB-CD2 3.85Å; N337-Y340 WeakPolarHBondContact O-CA 3.36Å; N337-Y340 WeakPolarHBondContact O-CB 3.29Å; N337-Y340 PolarHBondContact O-N 3.4Å; N337-F341 HydrophobicContact CB-CE2 4.28Å; N337-F341 WeakPolarHBondContact O-CD2 3.43Å
338	S	91.7	Very high	92.9	Very high	76 Å²	76	62.9 Å²	62.9	53%	0.531	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-55.4	-33.3	-173.7	44.9	0	0	0	0	112.9	Q334 S335 Y340 F341	Q334-S338 WeakPolarHBondContact O-CA 3.35Å; Q334-S338 PolarHBondContact O-N 3.24Å; S335-S338 WeakPolarHBondContact O-CB 3.38Å; S335-S338 PolarHBondContact O-N 2.85Å; S335-S338 PolarHBondContact O-OG 3.36Å; S338-Y340 PolarHBondContact O-N 3.34Å; S338-F341 PolarHBondContact O-N 2.91Å; S338-F341 VanDerWaalsContact O-N 3.13Å
339	S	92.3	Very high	92.7	Very high	64 Å²	64	59 Å²	59	45%	0.448	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-67.7	-7	173.6	63.6	0	0	0	0	115.1	R309 N337	R309-S339 WeakPolarHBondContact CD-O 3.3Å; R309-S339 PolarHBondContact NE-O 2.99Å; R309-S339 VanDerWaalsContact NE-O 3.11Å; R309-S339 PolarHBondContact NH1-O 3.17Å; N337-S339 PolarHBondContact O-N 3.37Å; N337-S339 VanDerWaalsContact O-N 3.1Å
340	Y	94.2	Very high	92.5	Very high	73 Å²	73	58.9 Å²	58.9	29%	0.286	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-107.6	4.6	174.7	-53.2	-43.5	0	0	0	111.8	R306 R309 Y310 N337 S338	R306-Y340 HydrophobicContact CB-CE1 4.11Å; R306-Y340 HydrophobicContact CG-CE1 4.26Å; R306-Y340 HydrophobicContact CG-CE2 4.07Å; R309-Y340 CarbonylContact C-O 3.5Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.26Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.39Å; Y310-Y340 PolarHBondContact N-O 2.8Å; N337-Y340 HydrophobicContact CB-CD2 3.85Å; N337-Y340 WeakPolarHBondContact O-CA 3.36Å; N337-Y340 WeakPolarHBondContact O-CB 3.29Å; N337-Y340 PolarHBondContact O-N 3.4Å; S338-Y340 PolarHBondContact O-N 3.34Å
341	F	94.9	Very high	92.4	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.035	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-105.3	152.3	170.3	-73	-95.8	0	0	0	109.3	F294 R309 Y310 V313 Q334 N337 S338 V349	F294-F341 HydrophobicContact CE1-CE2 4.32Å; F294-F341 AromaticContact CE1-CZ 3.84Å; F294-F341 HydrophobicContact CE1-CZ 3.84Å; F294-F341 HydrophobicContact CZ-CZ 4.29Å; R309-F341 PolarHBondContact NH1-O 2.76Å; R309-F341 VanDerWaalsContact NH1-O 3.11Å; Y310-F341 HydrophobicContact CD2-CD2 4.4Å; Y310-F341 HydrophobicContact CD2-CE1 4.2Å; Y310-F341 HydrophobicContact CD2-CE2 4.07Å; Y310-F341 AromaticContact CD2-CZ 3.98Å; Y310-F341 HydrophobicContact CD2-CZ 3.98Å; Y310-F341 HydrophobicContact CG-CD1 4.42Å; Y310-F341 HydrophobicContact CG-CE1 4.16Å; Y310-F341 HydrophobicContact CG-CZ 4.37Å; V313-F341 HydrophobicContact CB-CE1 4.28Å; V313-F341 HydrophobicContact CG2-CE1 3.68Å; V313-F341 HydrophobicContact CG2-CZ 4.07Å; Q334-F341 HydrophobicContact CG-CD2 4.34Å; Q334-F341 HydrophobicContact CG-CE2 4.16Å; Q334-F341 HydrophobicContact CG-CZ 4.3Å; N337-F341 HydrophobicContact CB-CE2 4.28Å; N337-F341 WeakPolarHBondContact O-CD2 3.43Å; S338-F341 PolarHBondContact O-N 2.91Å; S338-F341 VanDerWaalsContact O-N 3.13Å; F341-V349 HydrophobicContact CD1-CG2 4.33Å; F341-V349 HydrophobicContact CE1-CG2 3.52Å; F341-V349 HydrophobicContact CZ-CG2 3.91Å
342	V	94.2	Very high	92.2	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.048	30%	0.3	C	S	.	.			trans	-71.3	143.8	164.9	-61.3	0	0	0	0	109.7	R309 Y310 L311 W344 I345 N348	R309-V342 HydrophobicContact CB-CG1 3.63Å; R309-V342 HydrophobicContact CG-CG1 4.38Å; Y310-V342 PolarHBondContact O-N 2.77Å; L311-V342 HydrophobicContact CD2-CG1 3.74Å; L311-V342 HydrophobicContact CD2-CG2 4.4Å; V342-W344 HydrophobicContact CB-CD2 4.24Å; V342-W344 HydrophobicContact CB-CG 4.44Å; V342-W344 HydrophobicContact CB-CZ2 3.93Å; V342-W344 HydrophobicContact CG1-CZ2 3.76Å; V342-W344 HydrophobicContact CG2-CD2 4.25Å; V342-W344 HydrophobicContact CG2-CH2 4.37Å; V342-W344 HydrophobicContact CG2-CZ2 3.99Å; V342-I345 HydrophobicContact CG2-CB 3.91Å; V342-I345 HydrophobicContact CG2-CD1 3.89Å; V342-I345 HydrophobicContact CG2-CG1 3.71Å; V342-N348 PolarHBondContact O-ND2 3.44Å
343	E	90.6	Very high	91.9	Very high	139 Å²	139	54.6 Å²	54.6	65%	0.65	29%	0.294	S	S	*	.	S	Bend	trans	-87.1	-21.5	-178.5	58.8	179.5	-164.6	0	0	113.2	A430	E343-A430 HydrophobicContact CG-CB 4.14Å; E343-A430 PolarHBondContact OE1-N 2.9Å
344	W	90.7	Very high	91.7	Very high	43 Å²	43	54 Å²	54	16%	0.163	29%	0.291	C	S	.	.	S	Bend	trans	-87.3	-12	-173.6	49.5	-101	0	0	0	114.2	F260 L311 V342 P346 Y425 A428	F260-W344 AromaticContact CE2-CH2 3.61Å; F260-W344 HydrophobicContact CE2-CH2 3.61Å; F260-W344 AromaticContact CE2-CZ3 3.75Å; F260-W344 HydrophobicContact CE2-CZ3 3.75Å; F260-W344 HydrophobicContact CZ-CH2 4.36Å; F260-W344 HydrophobicContact CZ-CZ3 4.12Å; L311-W344 HydrophobicContact CD2-CH2 3.91Å; L311-W344 HydrophobicContact CD2-CZ2 3.84Å; V342-W344 HydrophobicContact CB-CD2 4.24Å; V342-W344 HydrophobicContact CB-CG 4.44Å; V342-W344 HydrophobicContact CB-CZ2 3.93Å; V342-W344 HydrophobicContact CG1-CZ2 3.76Å; V342-W344 HydrophobicContact CG2-CD2 4.25Å; V342-W344 HydrophobicContact CG2-CH2 4.37Å; V342-W344 HydrophobicContact CG2-CZ2 3.99Å; W344-P346 VanDerWaalsContact O-CD 3.3Å; W344-P346 WeakPolarHBondContact O-CD 3.46Å; W344-Y425 HydrophobicContact CH2-CD1 4.31Å; W344-Y425 HydrophobicContact CZ2-CD1 4.37Å; W344-A428 PolarHBondContact NE1-O 3.24Å
345	I	91.2	Very high	91.4	Very high	28 Å²	28	56.3 Å²	56.3	14%	0.144	31%	0.305	C	S	.	.	S	Bend	trans	-97.1	106.3	169	-55.6	-178.2	0	0	0	109.6	P259 L311 T312 V342 N348	P259-I345 HydrophobicContact CB-CD1 3.78Å; P259-I345 HydrophobicContact CG-CD1 3.8Å; L311-I345 HydrophobicContact CB-CD1 4.1Å; L311-I345 WeakPolarHBondContact O-CD1 3.49Å; T312-I345 HydrophobicContact CG2-CD1 4.41Å; V342-I345 HydrophobicContact CG2-CB 3.91Å; V342-I345 HydrophobicContact CG2-CD1 3.89Å; V342-I345 HydrophobicContact CG2-CG1 3.71Å; I345-N348 HydrophobicContact CB-CB 4.14Å; I345-N348 HydrophobicContact CG2-CB 3.82Å; I345-N348 PolarHBondContact O-ND2 3.28Å
346	P	88	Confident	91.1	Very high	98 Å²	98	53.6 Å²	53.6	64%	0.636	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	148.2	175.1	30	-34.8	0	0	0	111.1	W344 N348	W344-P346 VanDerWaalsContact O-CD 3.3Å; W344-P346 WeakPolarHBondContact O-CD 3.46Å; P346-N348 PolarHBondContact O-N 3.35Å; P346-N348 VanDerWaalsContact O-N 3.17Å
347	N	87.7	Confident	90.9	Very high	127 Å²	127	48.2 Å²	48.2	68%	0.679	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.1	175.3	-56.1	-56.1	0	0	0	114.1	V349 K350	N347-V349 PolarHBondContact O-N 2.88Å; N347-K350 PolarHBondContact O-NZ 3.43Å
348	N	91.4	Very high	90.7	Very high	8 Å²	8	47 Å²	47	4%	0.043	26%	0.259	C	S	.	.			trans	-70.5	-1.5	-176.5	58.1	7.7	0	0	0	115.6	L311 T312 V313 Q334 V342 I345 P346	L311-N348 VanDerWaalsContact O-CB 3.22Å; L311-N348 WeakPolarHBondContact O-CB 3.43Å; T312-N348 CarbonylContact C-O 3.5Å; T312-N348 VanDerWaalsContact CA-O 3.28Å; T312-N348 WeakPolarHBondContact CA-O 3.36Å; V313-N348 PolarHBondContact N-O 3.2Å; Q334-N348 PolarHBondContact NE2-OD1 3.47Å; V342-N348 PolarHBondContact O-ND2 3.44Å; I345-N348 HydrophobicContact CB-CB 4.14Å; I345-N348 HydrophobicContact CG2-CB 3.82Å; I345-N348 PolarHBondContact O-ND2 3.28Å; P346-N348 PolarHBondContact O-N 3.35Å; P346-N348 VanDerWaalsContact O-N 3.17Å
349	V	93.4	Very high	90.3	Very high	23 Å²	23	52.6 Å²	52.6	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.8	174.5	-179.2	0	0	0	0	109.7	V313 M330 Q334 F341 N347	V313-V349 HydrophobicContact CB-CG2 4.29Å; V313-V349 HydrophobicContact CG1-CG1 4.47Å; V313-V349 CarbonylContact O-C 3.54Å; V313-V349 WeakPolarHBondContact O-CA 3.45Å; M330-V349 HydrophobicContact CE-CG1 3.54Å; Q334-V349 HydrophobicContact CG-CG2 4.02Å; F341-V349 HydrophobicContact CD1-CG2 4.33Å; F341-V349 HydrophobicContact CE1-CG2 3.52Å; F341-V349 HydrophobicContact CZ-CG2 3.91Å; N347-V349 PolarHBondContact O-N 2.88Å
350	K	92	Very high	90	Very high	49 Å²	49	53.5 Å²	53.5	21%	0.213	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.5	176.5	-60.6	-49.3	-174.5	-152.2	0	110.5	L246 N256 V313 A314 A315 N347	L246-K350 HydrophobicContact CD2-CB 3.65Å; L246-K350 HydrophobicContact CD2-CD 4.14Å; L246-K350 HydrophobicContact CD2-CG 4.18Å; N256-K350 HydrophobicContact CB-CG 4.38Å; N256-K350 WeakPolarHBondContact OD1-CE 3.24Å; V313-K350 PolarHBondContact O-N 3.21Å; A314-K350 CarbonylContact C-O 3.54Å; A314-K350 VanDerWaalsContact CA-O 3.3Å; A314-K350 WeakPolarHBondContact CA-O 3.06Å; A314-K350 HydrophobicContact CB-CB 4.37Å; A315-K350 PolarHBondContact N-O 2.83Å; N347-K350 PolarHBondContact O-NZ 3.43Å
351	T	92.2	Very high	89.7	Confident	23 Å²	23	52.3 Å²	52.3	14%	0.141	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.5	179.4	54.3	0	0	0	0	110.3	L246 A315 V326 D327 M330	L246-T351 WeakPolarHBondContact CB-O 3.04Å; L246-T351 WeakPolarHBondContact CD2-O 3.42Å; A315-T351 CarbonylContact O-C 3.56Å; A315-T351 WeakPolarHBondContact O-CA 3.38Å; V326-T351 HydrophobicContact CG1-CG2 4.45Å; D327-T351 PolarHBondContact OD1-OG1 3.41Å; M330-T351 HydrophobicContact CB-CG2 3.83Å; M330-T351 HydrophobicContact CE-CG2 4.13Å; M330-T351 HydrophobicContact CG-CG2 3.56Å
352	A	90.6	Very high	89.5	Confident	8 Å²	8	60.7 Å²	60.7	7%	0.066	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.9	172.9	0	0	0	0	0	109.7	C239 L246 A315 V316 F317	C239-A352 VanDerWaalsContact SG-CB 3.59Å; L246-A352 HydrophobicContact CB-CB 3.91Å; A315-A352 PolarHBondContact O-N 3.04Å; V316-A352 HydrophobicContact CG2-CB 4.4Å; F317-A352 PolarHBondContact N-O 3.39Å
353	V	90.5	Very high	89.5	Confident	29 Å²	29	61.3 Å²	61.3	18%	0.176	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131	175.4	-173.9	0	0	0	0	108.5	F317 M321 V326	F317-V353 HydrophobicContact CB-CG2 4.26Å; F317-V353 CarbonylContact O-C 3.6Å; F317-V353 WeakPolarHBondContact O-CA 3.24Å; M321-V353 HydrophobicContact CG-CG1 3.98Å; V326-V353 HydrophobicContact CB-CG2 4.47Å; V326-V353 HydrophobicContact CG1-CG2 4.35Å; V326-V353 HydrophobicContact CG2-CG2 4.18Å
354	C	88.9	Confident	89.7	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.034	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.8	172	177.3	0	0	0	0	109.2	T238 F317 R318 G319 I356	T238-C354 HydrophobicContact CG2-CB 3.59Å; F317-C354 PolarHBondContact O-N 3.48Å; R318-C354 CarbonylContact C-O 3.49Å; R318-C354 VanDerWaalsContact CA-O 3.26Å; R318-C354 WeakPolarHBondContact CA-O 3.27Å; G319-C354 PolarHBondContact N-O 3.22Å; C354-I356 PolarHBondContact O-N 3.47Å
355	D	86.6	Confident	89.9	Confident	94 Å²	94	52.6 Å²	52.6	50%	0.503	29%	0.287	S	S	.	.	S	Bend	trans	-72.7	-10.2	-176.6	-73.9	-27.3	0	0	0	114.2	P357	D355-P357 VanDerWaalsContact O-CD 3.25Å; D355-P357 WeakPolarHBondContact O-CD 3.49Å
356	I	86.7	Confident	90.2	Very high	24 Å²	24	51.3 Å²	51.3	12%	0.123	28%	0.28	C	S	.	.			trans	-93.2	105.1	-179	-62.5	169.4	0	0	0	109.7	L42 F242 R318 C354	L42-I356 HydrophobicContact CB-CD1 3.86Å; F242-I356 HydrophobicContact CB-CD1 4.31Å; F242-I356 HydrophobicContact CD1-CD1 3.28Å; F242-I356 HydrophobicContact CD2-CB 4.41Å; F242-I356 HydrophobicContact CD2-CD1 4.21Å; F242-I356 HydrophobicContact CE1-CD1 3.51Å; F242-I356 HydrophobicContact CE2-CB 4.41Å; F242-I356 HydrophobicContact CE2-CD1 4.37Å; F242-I356 HydrophobicContact CE2-CG2 4.14Å; F242-I356 HydrophobicContact CG-CD1 3.67Å; F242-I356 HydrophobicContact CZ-CD1 4.05Å; F242-I356 HydrophobicContact CZ-CG2 4.16Å; R318-I356 PolarHBondContact NE-O 3.47Å; R318-I356 PolarHBondContact NH2-O 2.89Å; C354-I356 PolarHBondContact O-N 3.47Å
357	P	88.9	Confident	90.6	Very high	45 Å²	45	46.6 Å²	46.6	29%	0.292	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-73.6	157.5	175.5	33.8	-35	0	0	0	111	D355 L361	D355-P357 VanDerWaalsContact O-CD 3.25Å; D355-P357 WeakPolarHBondContact O-CD 3.49Å; P357-L361 WeakPolarHBondContact CB-O 3.48Å
358	P	89.2	Confident	91	Very high	15 Å²	15	40.7 Å²	40.7	10%	0.097	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-60.9	148.9	166.8	-16.2	28.8	0	0	0	110.9	G360 L361 A364	P358-G360 PolarHBondContact O-N 2.71Å; P358-L361 HydrophobicContact CB-CD1 4.34Å; P358-L361 HydrophobicContact CG-CD1 4.37Å; P358-L361 PolarHBondContact O-N 3.25Å; P358-L361 VanDerWaalsContact O-N 3.1Å; P358-A364 HydrophobicContact CG-CB 3.65Å
359	R	83	Confident	91.2	Very high	194 Å²	194	40.3 Å²	40.3	73%	0.732	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	138.8	179.8	-170.1	176.6	-174.6	175.8	5	111.7	D26 L361	D26-R359 VanDerWaalsContact CG-CD 3.41Å; D26-R359 WeakPolarHBondContact OD1-CD 3.49Å; D26-R359 IonicContact OD1-CZ 3.71Å; D26-R359 IonicContact OD1-NE 3.91Å; D26-R359 IonicContact OD1-NH1 3.59Å; D26-R359 PolarHBondContact OD1-NH1 2.88Å; D26-R359 WeakPolarHBondContact OD2-CD 3.16Å; D26-R359 IonicContact OD2-CZ 3.8Å; D26-R359 IonicContact OD2-NE 2.81Å; D26-R359 IonicContact OD2-NH1 3.37Å; D26-R359 PolarHBondContact OD2-NH1 2.97Å; R359-L361 PolarHBondContact O-N 3.31Å
360	G	85	Confident	91.3	Very high	82 Å²	82	39.2 Å²	39.2	85%	0.845	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.5	-6	-178.5	0	0	0	0	0	114	P358	P358-G360 PolarHBondContact O-N 2.71Å
361	L	89.1	Confident	91.6	Very high	48 Å²	48	36.9 Å²	36.9	25%	0.251	20%	0.199	S	C	.	.			trans	-116.4	149	175.3	-60.6	177.6	0	0	0	110.4	F270 P272 P357 P358 R359 A364	F270-L361 HydrophobicContact CE1-CD1 4.33Å; F270-L361 HydrophobicContact CZ-CD1 3.93Å; P272-L361 HydrophobicContact CG-CD2 4.35Å; P357-L361 WeakPolarHBondContact CB-O 3.48Å; P358-L361 HydrophobicContact CB-CD1 4.34Å; P358-L361 HydrophobicContact CG-CD1 4.37Å; P358-L361 PolarHBondContact O-N 3.25Å; P358-L361 VanDerWaalsContact O-N 3.1Å; R359-L361 PolarHBondContact O-N 3.31Å; L361-A364 HydrophobicContact CD1-CB 4.16Å
362	K	90.2	Very high	91.8	Very high	185 Å²	185	35.8 Å²	35.8	80%	0.804	19%	0.192	S	C	*	.	S	Bend	trans	-86	-30.4	172	-68.3	-175.1	178.7	-179.8	0	112.1
363	M	93.7	Very high	92.2	Very high	20 Å²	20	35.4 Å²	35.4	10%	0.099	19%	0.189	C	C	.	.			trans	-155.7	153	176.6	60.3	-171.5	-41.6	0	0	109.7	L284 V286 L289 R318 M321	L284-M363 HydrophobicContact CB-CG 3.79Å; L284-M363 HydrophobicContact CB-SD 3.93Å; L284-M363 HydrophobicContact CD1-CG 4.39Å; L284-M363 VanDerWaalsContact O-SD 3.36Å; V286-M363 HydrophobicContact CG2-CE 3.78Å; L289-M363 HydrophobicContact CD1-CB 4.31Å; L289-M363 HydrophobicContact CD1-CE 3.76Å; L289-M363 HydrophobicContact CD1-CG 3.98Å; L289-M363 HydrophobicContact CD1-SD 4.31Å; R318-M363 CarbonylContact O-C 3.54Å; R318-M363 WeakPolarHBondContact O-CA 3.4Å; R318-M363 WeakPolarHBondContact O-CB 3.33Å; M321-M363 HydrophobicContact CB-CE 4.33Å; M321-M363 HydrophobicContact CE-CB 3.89Å; M321-M363 HydrophobicContact CE-CE 3.73Å; M321-M363 HydrophobicContact SD-CE 3.85Å
364	A	95.1	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	166.6	175.4	0	0	0	0	0	109.4	F270 A271 R318 P358 L361	F270-A364 HydrophobicContact CE2-CB 4.25Å; F270-A364 HydrophobicContact CZ-CB 4.04Å; A271-A364 CarbonylContact O-C 3.29Å; A271-A364 VanDerWaalsContact O-CA 3.28Å; A271-A364 WeakPolarHBondContact O-CA 2.97Å; A271-A364 WeakPolarHBondContact O-CB 3.26Å; R318-A364 HydrophobicContact CB-CB 4.46Å; R318-A364 PolarHBondContact N-O 3.45Å; R318-A364 PolarHBondContact O-N 3.18Å; P358-A364 HydrophobicContact CG-CB 3.65Å; L361-A364 HydrophobicContact CD1-CB 4.16Å
365	A	95.5	Very high	92.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.7	170.7	0	0	0	0	0	110.1	A271 L289 M293 V316 F317	A271-A365 PolarHBondContact N-O 2.86Å; A271-A365 PolarHBondContact O-N 3.26Å; A271-A365 VanDerWaalsContact O-O 3.13Å; L289-A365 HydrophobicContact CB-CB 4.04Å; L289-A365 HydrophobicContact CD1-CB 4.12Å; M293-A365 HydrophobicContact CE-CB 4.07Å; M293-A365 HydrophobicContact CG-CB 4.02Å; M293-A365 HydrophobicContact SD-CB 3.49Å; M293-A365 WeakPolarHBondContact SD-CB 3.04Å; V316-A365 CarbonylContact O-C 3.48Å; V316-A365 VanDerWaalsContact O-CA 3.28Å; V316-A365 WeakPolarHBondContact O-CA 3.31Å; F317-A365 HydrophobicContact CD1-CB 3.76Å; F317-A365 HydrophobicContact CE1-CB 3.88Å; F317-A365 HydrophobicContact CG-CB 4.24Å; F317-A365 HydrophobicContact CZ-CB 4.44Å
366	T	95.7	Very high	93.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.6	176.2	-60.3	0	0	0	0	108.5	T232 G235 V236 G269 A315 V316	T232-T366 HydrophobicContact CG2-CG2 4.29Å; G235-T366 VanDerWaalsContact CA-OG1 3.25Å; G235-T366 WeakPolarHBondContact CA-OG1 3.47Å; V236-T366 HydrophobicContact CG2-CG2 3.87Å; G269-T366 WeakPolarHBondContact O-CA 3.4Å; A315-T366 CarbonylContact C-O 3.39Å; A315-T366 WeakPolarHBondContact CA-O 3.36Å; V316-T366 PolarHBondContact N-O 3.03Å; V316-T366 PolarHBondContact O-N 3.01Å
367	F	96.4	Very high	93.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.4	179.3	-179.7	-93.6	0	0	0	109.2	P268 G269 M293 F294 M299 Y310 V313 G369	P268-F367 CarbonylContact C-O 3.54Å; P268-F367 VanDerWaalsContact CA-O 3.23Å; P268-F367 WeakPolarHBondContact CA-O 3.47Å; G269-F367 PolarHBondContact N-O 3.1Å; G269-F367 PolarHBondContact O-N 3.25Å; M293-F367 HydrophobicContact CB-CB 4.02Å; M293-F367 HydrophobicContact CB-CD2 4.01Å; M293-F367 HydrophobicContact CB-CG 4.34Å; M293-F367 HydrophobicContact CG-CB 4Å; M293-F367 HydrophobicContact SD-CB 4.14Å; F294-F367 HydrophobicContact CD1-CE2 4.21Å; F294-F367 HydrophobicContact CD2-CE2 4.49Å; F294-F367 AromaticContact CE1-CE2 3.86Å; F294-F367 HydrophobicContact CE1-CE2 3.86Å; F294-F367 HydrophobicContact CE1-CZ 4.43Å; F294-F367 HydrophobicContact CE2-CE2 4.17Å; F294-F367 AromaticContact CZ-CE2 3.86Å; F294-F367 HydrophobicContact CZ-CE2 3.86Å; M299-F367 HydrophobicContact CE-CD1 3.6Å; M299-F367 HydrophobicContact CE-CE1 3.33Å; M299-F367 HydrophobicContact CE-CE2 4.39Å; M299-F367 HydrophobicContact CE-CG 4.25Å; M299-F367 HydrophobicContact CE-CZ 3.78Å; M299-F367 HydrophobicContact SD-CD1 3.42Å; M299-F367 WeakPolarHBondContact SD-CD1 3.48Å; M299-F367 HydrophobicContact SD-CE1 3.59Å; M299-F367 VanDerWaalsContact SD-CE1 3.59Å; M299-F367 HydrophobicContact SD-CG 4.31Å; Y310-F367 HydrophobicContact CD1-CZ 4.41Å; Y310-F367 HydrophobicContact CE1-CE1 4.11Å; Y310-F367 AromaticContact CE1-CZ 3.61Å; Y310-F367 HydrophobicContact CE1-CZ 3.61Å; Y310-F367 AromaticContact CZ-CZ 3.88Å; V313-F367 HydrophobicContact CB-CE2 4.39Å; V313-F367 HydrophobicContact CG1-CD2 4.03Å; V313-F367 HydrophobicContact CG1-CE2 3.37Å; V313-F367 HydrophobicContact CG1-CZ 3.98Å; V313-F367 HydrophobicContact CG2-CE2 4.11Å; V313-F367 HydrophobicContact CG2-CZ 3.94Å; F367-G369 VanDerWaalsContact CE1-CA 3.47Å; F367-G369 VanDerWaalsContact CE1-N 3.31Å
368	I	95.9	Very high	94.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	109	171	-51.8	170.1	0	0	0	105.9	Y200 V236 M257 F266 V313 A314	Y200-I368 HydrophobicContact CD1-CG2 4.45Å; Y200-I368 HydrophobicContact CE1-CD1 4.01Å; Y200-I368 HydrophobicContact CE1-CG1 4.08Å; Y200-I368 HydrophobicContact CE1-CG2 3.7Å; V236-I368 HydrophobicContact CB-CD1 4.46Å; V236-I368 HydrophobicContact CG1-CD1 4.17Å; V236-I368 HydrophobicContact CG2-CD1 4Å; V236-I368 HydrophobicContact CG2-CG1 4.08Å; M257-I368 HydrophobicContact CE-CB 4.32Å; M257-I368 HydrophobicContact CE-CG2 3.94Å; M257-I368 WeakPolarHBondContact CE-O 3.22Å; F266-I368 HydrophobicContact CB-CG2 3.82Å; F266-I368 HydrophobicContact CD1-CG2 4.3Å; F266-I368 HydrophobicContact CD2-CG2 4.11Å; F266-I368 HydrophobicContact CG-CG2 3.82Å; V313-I368 CarbonylContact C-O 3.59Å; V313-I368 WeakPolarHBondContact CA-O 3.48Å; A314-I368 HydrophobicContact CB-CB 4.23Å; A314-I368 HydrophobicContact CB-CD1 4.4Å; A314-I368 PolarHBondContact N-O 3.42Å; A314-I368 PolarHBondContact O-N 3.2Å
369	G	95.9	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.5	177.4	0	0	0	0	0	111.3	M267 F367	M267-G369 PolarHBondContact N-O 2.89Å; M267-G369 PolarHBondContact O-N 2.85Å; F367-G369 VanDerWaalsContact CE1-CA 3.47Å; F367-G369 VanDerWaalsContact CE1-N 3.31Å
370	N	97.2	Very high	95	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	109.6	159.9	-168.7	-13.5	0	0	0	107.5	M257 L263 F266 Y310 L311 T312	M257-N370 PolarHBondContact O-ND2 3.04Å; L263-N370 PolarHBondContact O-ND2 3.31Å; F266-N370 HydrophobicContact CD1-CB 3.86Å; F266-N370 HydrophobicContact CE1-CB 3.98Å; Y310-N370 CarbonylContact C-O 3.5Å; Y310-N370 WeakPolarHBondContact CA-O 3.25Å; L311-N370 HydrophobicContact CB-CB 4.37Å; L311-N370 PolarHBondContact N-O 3.42Å; T312-N370 PolarHBondContact N-O 3.04Å; T312-N370 PolarHBondContact O-N 3.5Å; T312-N370 VanDerWaalsContact OG1-CB 3.23Å; T312-N370 WeakPolarHBondContact OG1-CB 3.35Å
371	S	97.2	Very high	95.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.4	-178.9	125.6	0	0	0	0	111.3	M267 R309 Y310 A373 I374	M267-S371 WeakPolarHBondContact CE-OG 3.32Å; R309-S371 CarbonylContact O-C 3.58Å; R309-S371 WeakPolarHBondContact O-CA 3.46Å; R309-S371 WeakPolarHBondContact O-CB 3.47Å; Y310-S371 VanDerWaalsContact CD1-CB 3.46Å; S371-A373 PolarHBondContact O-N 2.99Å; S371-A373 VanDerWaalsContact OG-CB 3.3Å; S371-A373 WeakPolarHBondContact OG-CB 3.34Å; S371-A373 PolarHBondContact OG-N 3.07Å; S371-A373 VanDerWaalsContact OG-N 3.11Å; S371-I374 WeakPolarHBondContact O-CB 3.48Å; S371-I374 WeakPolarHBondContact O-CG2 3.48Å; S371-I374 PolarHBondContact O-N 3.36Å
372	T	97.6	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-60.4	-20.1	178.4	68.5	0	0	0	0	113.2	G308 R309 L311 I374 Q375 Y422 Q426	G308-T372 WeakPolarHBondContact CA-OG1 3.04Å; R309-T372 PolarHBondContact N-OG1 2.71Å; R309-T372 PolarHBondContact O-N 2.81Å; L311-T372 HydrophobicContact CD2-CG2 3.84Å; L311-T372 HydrophobicContact CG-CG2 4.22Å; T372-I374 PolarHBondContact O-N 2.92Å; T372-I374 VanDerWaalsContact O-N 3.11Å; T372-Q375 WeakPolarHBondContact O-CB 3.31Å; T372-Q375 WeakPolarHBondContact O-CG 3.48Å; T372-Q375 PolarHBondContact O-N 3.12Å; T372-Q375 VanDerWaalsContact O-N 3.11Å; T372-Y422 HydrophobicContact CG2-CD1 4.25Å; T372-Y422 WeakPolarHBondContact CG2-O 3.37Å; T372-Q426 HydrophobicContact CG2-CB 3.88Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.41Å; T372-Q426 PolarHBondContact OG1-OE1 3.45Å
373	A	97.2	Very high	96	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-60.2	-18.9	173.5	0	0	0	0	0	113.5	C303 D304 S371 Q375 E376	C303-A373 HydrophobicContact CB-CB 4.39Å; C303-A373 WeakPolarHBondContact CB-O 3.25Å; D304-A373 WeakPolarHBondContact O-CB 3.24Å; S371-A373 PolarHBondContact O-N 2.99Å; S371-A373 VanDerWaalsContact OG-CB 3.3Å; S371-A373 WeakPolarHBondContact OG-CB 3.34Å; S371-A373 PolarHBondContact OG-N 3.07Å; S371-A373 VanDerWaalsContact OG-N 3.11Å; A373-Q375 PolarHBondContact O-N 3.06Å; A373-E376 WeakPolarHBondContact O-CB 3.41Å; A373-E376 WeakPolarHBondContact O-CG 3.36Å; A373-E376 PolarHBondContact O-N 3.38Å
374	I	97.3	Very high	96.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-56.8	-22.6	173.8	-164.8	66.2	0	0	0	112.2	C201 F265 M267 A301 S371 T372 E376 L377 F378 Y422	C201-I374 HydrophobicContact CB-CD1 4.04Å; F265-I374 HydrophobicContact CB-CG1 4.1Å; M267-I374 HydrophobicContact CG-CD1 3.74Å; M267-I374 HydrophobicContact SD-CD1 4.41Å; A301-I374 HydrophobicContact CB-CD1 4.23Å; S371-I374 WeakPolarHBondContact O-CB 3.48Å; S371-I374 WeakPolarHBondContact O-CG2 3.48Å; S371-I374 PolarHBondContact O-N 3.36Å; T372-I374 PolarHBondContact O-N 2.92Å; T372-I374 VanDerWaalsContact O-N 3.11Å; I374-E376 PolarHBondContact O-N 3.12Å; I374-E376 VanDerWaalsContact O-N 3.11Å; I374-L377 HydrophobicContact CD1-CB 4.25Å; I374-L377 HydrophobicContact CD1-CD2 3.71Å; I374-L377 WeakPolarHBondContact O-CB 3.27Å; I374-L377 PolarHBondContact O-N 3.31Å; I374-F378 HydrophobicContact CG1-CE2 3.96Å; I374-F378 HydrophobicContact CG1-CZ 4.1Å; I374-F378 HydrophobicContact CG2-CE2 4.03Å; I374-Y422 HydrophobicContact CG2-CD1 4.07Å; I374-Y422 HydrophobicContact CG2-CD2 4.14Å; I374-Y422 HydrophobicContact CG2-CE1 3.58Å; I374-Y422 HydrophobicContact CG2-CE2 3.68Å; I374-Y422 HydrophobicContact CG2-CG 4.33Å
375	Q	96.4	Very high	96.1	Very high	7 Å²	7	19.6 Å²	19.6	3%	0.033	9%	0.09	C	C	.	.	H	α-helix	trans	-55.4	-27.8	172.8	74.7	175.8	-49.2	0	0	113.4	T372 A373 L377 F378 K379 V419 Q426	T372-Q375 WeakPolarHBondContact O-CB 3.31Å; T372-Q375 WeakPolarHBondContact O-CG 3.48Å; T372-Q375 PolarHBondContact O-N 3.12Å; T372-Q375 VanDerWaalsContact O-N 3.11Å; A373-Q375 PolarHBondContact O-N 3.06Å; Q375-L377 VanDerWaalsContact C-N 3.26Å; Q375-L377 PolarHBondContact O-N 3.3Å; Q375-F378 PolarHBondContact O-N 3.04Å; Q375-K379 WeakPolarHBondContact O-CB 3.43Å; Q375-K379 VanDerWaalsContact O-CG 3.26Å; Q375-K379 WeakPolarHBondContact O-CG 3.15Å; Q375-K379 PolarHBondContact O-N 3.48Å; Q375-V419 HydrophobicContact CB-CG1 4.39Å; Q375-V419 HydrophobicContact CB-CG2 4.41Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.16Å
376	E	95.8	Very high	96.1	Very high	62 Å²	62	22.4 Å²	22.4	29%	0.29	11%	0.107	S	C	.	.	H	α-helix	trans	-61.9	-36.2	175.4	-65.3	-171.3	145.3	0	0	111.7	C303 D304 H307 A373 I374 R380	C303-E376 WeakPolarHBondContact CA-OE2 3.48Å; C303-E376 HydrophobicContact CB-CB 4.44Å; D304-E376 PolarHBondContact N-OE2 3.14Å; H307-E376 WeakPolarHBondContact CB-OE1 3.47Å; H307-E376 IonicContact CE1-OE1 3.25Å; H307-E376 IonicContact CG-OE1 3.91Å; H307-E376 IonicContact ND1-OE1 3.2Å; H307-E376 PolarHBondContact ND1-OE1 2.84Å; H307-E376 IonicContact ND1-OE2 2.91Å; A373-E376 WeakPolarHBondContact O-CB 3.41Å; A373-E376 WeakPolarHBondContact O-CG 3.36Å; A373-E376 PolarHBondContact O-N 3.38Å; I374-E376 PolarHBondContact O-N 3.12Å; I374-E376 VanDerWaalsContact O-N 3.11Å; E376-R380 WeakPolarHBondContact O-CB 3.19Å; E376-R380 PolarHBondContact O-N 3.38Å
377	L	95.6	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-47.7	176.5	-167.7	62.6	0	0	0	110.7	V170 C201 D203 I374 Q375 R380 I381	V170-L377 HydrophobicContact CG1-CD1 3.96Å; V170-L377 HydrophobicContact CG1-CD2 4.47Å; V170-L377 HydrophobicContact CG1-CG 4.25Å; V170-L377 HydrophobicContact CG2-CD2 3.99Å; C201-L377 HydrophobicContact CB-CD2 3.91Å; D203-L377 HydrophobicContact CB-CD1 4.3Å; I374-L377 HydrophobicContact CD1-CB 4.25Å; I374-L377 HydrophobicContact CD1-CD2 3.71Å; I374-L377 WeakPolarHBondContact O-CB 3.27Å; I374-L377 PolarHBondContact O-N 3.31Å; Q375-L377 VanDerWaalsContact C-N 3.26Å; Q375-L377 PolarHBondContact O-N 3.3Å; L377-R380 VanDerWaalsContact CD1-NH2 3.33Å; L377-R380 PolarHBondContact O-N 2.86Å; L377-I381 WeakPolarHBondContact O-CG1 3.32Å; L377-I381 PolarHBondContact O-N 3.14Å; L377-I381 VanDerWaalsContact O-N 3.14Å
378	F	96.8	Very high	96	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.013	14%	0.136	C	C	.	.	H	α-helix	trans	-68.7	-42	-179.9	-57.1	-47.7	0	0	0	111.9	V189 F265 I374 Q375 R380 I381 S382 M415 L418 V419 Y422	V189-F378 HydrophobicContact CG1-CD1 4.16Å; V189-F378 HydrophobicContact CG1-CE1 4.05Å; V189-F378 HydrophobicContact CG2-CD1 4.36Å; V189-F378 HydrophobicContact CG2-CE1 4.19Å; F265-F378 HydrophobicContact CB-CZ 4.11Å; F265-F378 HydrophobicContact CD1-CE1 4.26Å; F265-F378 AromaticContact CD1-CZ 3.67Å; F265-F378 HydrophobicContact CD1-CZ 3.67Å; F265-F378 HydrophobicContact CD2-CE2 4.39Å; F265-F378 AromaticContact CD2-CZ 3.96Å; F265-F378 HydrophobicContact CD2-CZ 3.96Å; F265-F378 HydrophobicContact CE1-CE1 4.27Å; F265-F378 AromaticContact CE1-CZ 3.98Å; F265-F378 HydrophobicContact CE1-CZ 3.98Å; F265-F378 HydrophobicContact CE2-CZ 4.25Å; F265-F378 HydrophobicContact CG-CE2 4.34Å; F265-F378 AromaticContact CG-CZ 3.64Å; F265-F378 HydrophobicContact CG-CZ 3.64Å; F265-F378 HydrophobicContact CZ-CZ 4.25Å; I374-F378 HydrophobicContact CG1-CE2 3.96Å; I374-F378 HydrophobicContact CG1-CZ 4.1Å; I374-F378 HydrophobicContact CG2-CE2 4.03Å; Q375-F378 PolarHBondContact O-N 3.04Å; F378-R380 VanDerWaalsContact C-N 3.3Å; F378-R380 PolarHBondContact O-N 3.32Å; F378-I381 PolarHBondContact O-N 3.34Å; F378-S382 VanDerWaalsContact O-CB 3.3Å; F378-S382 WeakPolarHBondContact O-CB 3.22Å; F378-S382 PolarHBondContact O-N 3.07Å; F378-M415 HydrophobicContact CB-CG 4.03Å; F378-M415 HydrophobicContact CB-SD 4.27Å; F378-L418 HydrophobicContact CD2-CD2 3.9Å; F378-L418 HydrophobicContact CE1-CD2 4.44Å; F378-L418 HydrophobicContact CE2-CD2 3.64Å; F378-L418 HydrophobicContact CE2-CG 4.41Å; F378-L418 HydrophobicContact CG-CD2 4.42Å; F378-L418 HydrophobicContact CZ-CD2 3.95Å; F378-V419 HydrophobicContact CB-CG2 3.64Å; F378-V419 HydrophobicContact CD2-CG2 4.48Å; F378-Y422 HydrophobicContact CD2-CE2 4.46Å; F378-Y422 HydrophobicContact CE2-CD2 4.42Å; F378-Y422 AromaticContact CE2-CE2 3.85Å; F378-Y422 HydrophobicContact CE2-CE2 3.85Å
379	K	96.2	Very high	96	Very high	79 Å²	79	27.8 Å²	27.8	34%	0.343	14%	0.142	S	C	.	.	H	α-helix	trans	-57.4	-43.9	173.4	-73.6	174.3	-172	175.9	0	111.2	Q375 I381 S382 E383 V419	Q375-K379 WeakPolarHBondContact O-CB 3.43Å; Q375-K379 VanDerWaalsContact O-CG 3.26Å; Q375-K379 WeakPolarHBondContact O-CG 3.15Å; Q375-K379 PolarHBondContact O-N 3.48Å; K379-I381 PolarHBondContact O-N 3.3Å; K379-S382 WeakPolarHBondContact O-CB 3.34Å; K379-S382 PolarHBondContact O-N 2.89Å; K379-E383 WeakPolarHBondContact O-CG 3.5Å; K379-E383 PolarHBondContact O-N 3.34Å; K379-V419 HydrophobicContact CD-CG1 4.3Å; K379-V419 HydrophobicContact CG-CG1 4.03Å; K379-V419 HydrophobicContact CG-CG2 4.27Å
380	R	94.9	Very high	96	Very high	41 Å²	41	38.4 Å²	38.4	16%	0.155	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-42.8	177.5	-172.9	-177.7	73	-167.1	5.7	112.5	D203 E205 E376 L377 F378 Q384	D203-R380 IonicContact OD1-CZ 2.67Å; D203-R380 IonicContact OD1-NH1 3.88Å; D203-R380 IonicContact OD1-NH2 2.59Å; D203-R380 PolarHBondContact OD1-NH2 2.99Å; D203-R380 IonicContact OD2-CZ 3.45Å; D203-R380 VanDerWaalsContact OD2-CZ 3.24Å; D203-R380 IonicContact OD2-NH1 2.7Å; D203-R380 PolarHBondContact OD2-NH1 3.46Å; D203-R380 IonicContact OD2-NH2 3.47Å; D203-R380 PolarHBondContact OD2-NH2 2.96Å; E205-R380 IonicContact OE2-CZ 3.93Å; E205-R380 IonicContact OE2-NH1 3.81Å; E205-R380 PolarHBondContact OE2-NH1 3.42Å; E376-R380 WeakPolarHBondContact O-CB 3.19Å; E376-R380 PolarHBondContact O-N 3.38Å; L377-R380 VanDerWaalsContact CD1-NH2 3.33Å; L377-R380 PolarHBondContact O-N 2.86Å; F378-R380 VanDerWaalsContact C-N 3.3Å; F378-R380 PolarHBondContact O-N 3.32Å; R380-Q384 WeakPolarHBondContact O-CG 3.49Å; R380-Q384 PolarHBondContact O-N 3.08Å
381	I	95.2	Very high	96	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-46.8	176.3	-65.4	164.7	0	0	0	110.1	V170 A185 T186 L377 F378 K379 E383 Q384 F385 M415	V170-I381 HydrophobicContact CG1-CD1 3.74Å; V170-I381 HydrophobicContact CG1-CG1 4.43Å; A185-I381 HydrophobicContact CB-CD1 4.33Å; A185-I381 HydrophobicContact CB-CG2 3.89Å; T186-I381 WeakPolarHBondContact OG1-CG2 3.28Å; L377-I381 WeakPolarHBondContact O-CG1 3.32Å; L377-I381 PolarHBondContact O-N 3.14Å; L377-I381 VanDerWaalsContact O-N 3.14Å; F378-I381 PolarHBondContact O-N 3.34Å; K379-I381 PolarHBondContact O-N 3.3Å; I381-E383 PolarHBondContact O-N 2.93Å; I381-Q384 PolarHBondContact O-N 2.63Å; I381-F385 WeakPolarHBondContact O-CB 3.36Å; I381-F385 PolarHBondContact O-N 3.44Å; I381-M415 HydrophobicContact CB-SD 4.32Å; I381-M415 HydrophobicContact CG2-CE 4.39Å; I381-M415 HydrophobicContact CG2-SD 4.14Å
382	S	95.5	Very high	95.9	Very high	11 Å²	11	54.4 Å²	54.4	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-56.3	-48.9	178.7	-166.4	0	0	0	0	111.9	F378 K379 Q384 F385 T386 M415 N416	F378-S382 VanDerWaalsContact O-CB 3.3Å; F378-S382 WeakPolarHBondContact O-CB 3.22Å; F378-S382 PolarHBondContact O-N 3.07Å; K379-S382 WeakPolarHBondContact O-CB 3.34Å; K379-S382 PolarHBondContact O-N 2.89Å; S382-Q384 VanDerWaalsContact C-N 3.32Å; S382-Q384 PolarHBondContact O-N 3.26Å; S382-F385 WeakPolarHBondContact O-CB 3.39Å; S382-F385 PolarHBondContact O-N 2.93Å; S382-T386 PolarHBondContact O-N 2.65Å; S382-T386 PolarHBondContact O-OG1 2.77Å; S382-M415 VanDerWaalsContact CA-CE 3.5Å; S382-M415 VanDerWaalsContact CB-CE 3.49Å; S382-N416 PolarHBondContact OG-OD1 3.38Å
383	E	95.3	Very high	95.8	Very high	140 Å²	140	55.8 Å²	55.8	65%	0.654	26%	0.257	S	S	*	.	H	α-helix	trans	-58.5	-42.4	178.7	-74.8	175.2	-174	0	0	112.9	K379 I381 A387	K379-E383 WeakPolarHBondContact O-CG 3.5Å; K379-E383 PolarHBondContact O-N 3.34Å; I381-E383 PolarHBondContact O-N 2.93Å; E383-A387 WeakPolarHBondContact O-CB 3.16Å; E383-A387 PolarHBondContact O-N 3Å; E383-A387 VanDerWaalsContact O-N 3.17Å
384	Q	94.5	Very high	95.7	Very high	62 Å²	62	59 Å²	59	29%	0.29	27%	0.271	S	S	.	.	H	α-helix	trans	-69	-42.4	177.9	-67.5	174.7	5.4	0	0	111.3	P182 R380 I381 S382 A387 M388	P182-Q384 HydrophobicContact CB-CB 3.85Å; P182-Q384 HydrophobicContact CG-CB 3.72Å; R380-Q384 WeakPolarHBondContact O-CG 3.49Å; R380-Q384 PolarHBondContact O-N 3.08Å; I381-Q384 PolarHBondContact O-N 2.63Å; S382-Q384 VanDerWaalsContact C-N 3.32Å; S382-Q384 PolarHBondContact O-N 3.26Å; Q384-A387 PolarHBondContact O-N 3.24Å; Q384-M388 WeakPolarHBondContact O-CG 3.43Å; Q384-M388 PolarHBondContact O-N 3.25Å
385	F	96	Very high	95.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.1	-56	174.3	175	-82.4	0	0	0	111.1	P182 Y183 T186 I381 S382 A387 M388 F389 F408 E412	P182-F385 HydrophobicContact CB-CB 4.4Å; Y183-F385 AromaticContact CD1-CD2 3.47Å; Y183-F385 HydrophobicContact CD1-CD2 3.47Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.47Å; Y183-F385 AromaticContact CD1-CE2 3.51Å; Y183-F385 HydrophobicContact CD1-CE2 3.51Å; Y183-F385 HydrophobicContact CD1-CG 4.34Å; Y183-F385 HydrophobicContact CD1-CZ 4.39Å; Y183-F385 HydrophobicContact CE1-CD2 4.05Å; Y183-F385 HydrophobicContact CE1-CE2 4.02Å; Y183-F385 HydrophobicContact CE1-CZ 4.5Å; T186-F385 VanDerWaalsContact CB-CD2 3.48Å; T186-F385 HydrophobicContact CG2-CD2 3.68Å; T186-F385 HydrophobicContact CG2-CE2 3.72Å; T186-F385 HydrophobicContact CG2-CG 4.23Å; T186-F385 HydrophobicContact CG2-CZ 4.31Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.16Å; I381-F385 WeakPolarHBondContact O-CB 3.36Å; I381-F385 PolarHBondContact O-N 3.44Å; S382-F385 WeakPolarHBondContact O-CB 3.39Å; S382-F385 PolarHBondContact O-N 2.93Å; F385-A387 VanDerWaalsContact C-N 3.26Å; F385-A387 PolarHBondContact O-N 3.04Å; F385-M388 PolarHBondContact O-N 3.21Å; F385-F389 HydrophobicContact CD1-CB 4.22Å; F385-F389 HydrophobicContact CE1-CB 3.88Å; F385-F389 HydrophobicContact CE1-CD1 4.47Å; F385-F389 HydrophobicContact CE1-CD2 4.3Å; F385-F389 AromaticContact CE1-CG 3.97Å; F385-F389 HydrophobicContact CE1-CG 3.97Å; F385-F389 HydrophobicContact CZ-CB 4.38Å; F385-F389 HydrophobicContact CZ-CD2 4.1Å; F385-F389 HydrophobicContact CZ-CG 4.24Å; F385-F389 WeakPolarHBondContact O-CB 3.44Å; F385-F389 PolarHBondContact O-N 3.41Å; F385-F408 AromaticContact CE2-CD1 3.77Å; F385-F408 HydrophobicContact CE2-CD1 3.77Å; F385-F408 HydrophobicContact CZ-CB 4.01Å; F385-F408 AromaticContact CZ-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CG 4.49Å; F385-F408 WeakPolarHBondContact CZ-O 3.38Å; F385-E412 HydrophobicContact CD1-CB 4.18Å; F385-E412 HydrophobicContact CD1-CG 3.96Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.35Å; F385-E412 HydrophobicContact CE1-CB 3.64Å; F385-E412 VanDerWaalsContact CE1-CD 3.45Å; F385-E412 HydrophobicContact CE1-CG 3.82Å; F385-E412 HydrophobicContact CZ-CB 4.13Å
386	T	96.5	Very high	95.6	Very high	59 Å²	59	65.1 Å²	65.1	36%	0.362	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-39.6	-177	-53	0	0	0	0	111	S382 M388 F389 R390 E412	S382-T386 PolarHBondContact O-N 2.65Å; S382-T386 PolarHBondContact O-OG1 2.77Å; T386-M388 VanDerWaalsContact C-N 3.31Å; T386-M388 PolarHBondContact O-N 2.81Å; T386-F389 PolarHBondContact O-N 3.34Å; T386-R390 WeakPolarHBondContact O-CB 3.37Å; T386-R390 PolarHBondContact O-N 3.01Å; T386-E412 PolarHBondContact OG1-OE1 3.45Å
387	A	94.7	Very high	95.6	Very high	56 Å²	56	67.7 Å²	67.7	46%	0.463	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-38	177.8	0	0	0	0	0	112.8	E383 Q384 F385	E383-A387 WeakPolarHBondContact O-CB 3.16Å; E383-A387 PolarHBondContact O-N 3Å; E383-A387 VanDerWaalsContact O-N 3.17Å; Q384-A387 PolarHBondContact O-N 3.24Å; F385-A387 VanDerWaalsContact C-N 3.26Å; F385-A387 PolarHBondContact O-N 3.04Å
388	M	95.1	Very high	95.7	Very high	28 Å²	28	67.8 Å²	67.8	14%	0.138	31%	0.307	C	S	.	.	H	α-helix	trans	-76.2	-47.8	175.7	-67.9	-178	62.2	0	0	112.1	V179 P182 Y183 Q384 F385 T386 R390 R391 K392 A393 F394	V179-M388 WeakPolarHBondContact O-CE 3.41Å; V179-M388 VanDerWaalsContact O-SD 3.33Å; P182-M388 HydrophobicContact CB-SD 4.1Å; P182-M388 HydrophobicContact CG-SD 3.77Å; Y183-M388 HydrophobicContact CD2-CE 4.19Å; Y183-M388 HydrophobicContact CE1-CB 3.95Å; Y183-M388 HydrophobicContact CE2-CE 3.92Å; Y183-M388 VanDerWaalsContact OH-C 3.23Å; Y183-M388 PolarHBondContact OH-O 3.4Å; Q384-M388 WeakPolarHBondContact O-CG 3.43Å; Q384-M388 PolarHBondContact O-N 3.25Å; F385-M388 PolarHBondContact O-N 3.21Å; T386-M388 VanDerWaalsContact C-N 3.31Å; T386-M388 PolarHBondContact O-N 2.81Å; M388-R390 PolarHBondContact O-N 3.06Å; M388-R391 PolarHBondContact O-N 3.43Å; M388-K392 PolarHBondContact O-N 3.26Å; M388-A393 PolarHBondContact O-N 3.36Å; M388-F394 HydrophobicContact CE-CD2 3.85Å; M388-F394 HydrophobicContact CE-CE2 4.42Å
389	F	96.1	Very high	95.7	Very high	32 Å²	32	70.3 Å²	70.3	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-43.9	-175.2	-167.9	-106.7	0	0	0	111.7	Y183 F385 T386 R391 K392 L395 E405 F408 T409	Y183-F389 HydrophobicContact CE1-CB 4.1Å; Y183-F389 HydrophobicContact CE1-CD2 4.21Å; Y183-F389 WeakPolarHBondContact OH-CA 3.43Å; Y183-F389 PolarHBondContact OH-N 3.18Å; F385-F389 HydrophobicContact CD1-CB 4.22Å; F385-F389 HydrophobicContact CE1-CB 3.88Å; F385-F389 HydrophobicContact CE1-CD1 4.47Å; F385-F389 HydrophobicContact CE1-CD2 4.3Å; F385-F389 AromaticContact CE1-CG 3.97Å; F385-F389 HydrophobicContact CE1-CG 3.97Å; F385-F389 HydrophobicContact CZ-CB 4.38Å; F385-F389 HydrophobicContact CZ-CD2 4.1Å; F385-F389 HydrophobicContact CZ-CG 4.24Å; F385-F389 WeakPolarHBondContact O-CB 3.44Å; F385-F389 PolarHBondContact O-N 3.41Å; T386-F389 PolarHBondContact O-N 3.34Å; F389-R391 PolarHBondContact O-N 3.25Å; F389-R391 VanDerWaalsContact O-N 3.1Å; F389-K392 WeakPolarHBondContact O-CA 3.44Å; F389-K392 PolarHBondContact O-N 3.03Å; F389-L395 HydrophobicContact CD2-CD1 4.09Å; F389-L395 HydrophobicContact CD2-CD2 3.76Å; F389-L395 HydrophobicContact CD2-CG 4.45Å; F389-L395 HydrophobicContact CE2-CD1 3.88Å; F389-L395 HydrophobicContact CE2-CD2 3.79Å; F389-L395 HydrophobicContact CE2-CG 4.49Å; F389-E405 HydrophobicContact CE2-CG 4.35Å; F389-E405 HydrophobicContact CZ-CG 4.15Å; F389-F408 HydrophobicContact CD2-CB 4.1Å; F389-F408 HydrophobicContact CD2-CD1 4.34Å; F389-F408 HydrophobicContact CD2-CG 4.32Å; F389-F408 HydrophobicContact CE2-CB 3.46Å; F389-F408 VanDerWaalsContact CE2-CB 3.46Å; F389-F408 HydrophobicContact CE2-CD1 4.31Å; F389-F408 HydrophobicContact CE2-CD2 4.43Å; F389-F408 AromaticContact CE2-CG 3.84Å; F389-F408 HydrophobicContact CE2-CG 3.84Å; F389-F408 HydrophobicContact CZ-CB 4.01Å; F389-T409 HydrophobicContact CE1-CG2 3.81Å; F389-T409 HydrophobicContact CZ-CG2 3.81Å
390	R	95.5	Very high	95.7	Very high	223 Å²	223	69.6 Å²	69.6	84%	0.842	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.4	176.2	-177.4	176.5	176.9	-179.1	1.8	113.3	T386 M388	T386-R390 WeakPolarHBondContact O-CB 3.37Å; T386-R390 PolarHBondContact O-N 3.01Å; M388-R390 PolarHBondContact O-N 3.06Å
391	R	96	Very high	95.8	Very high	211 Å²	211	70.3 Å²	70.3	80%	0.796	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.3	178.3	-63.4	179.1	-177.9	179.4	3.1	112.7	M388 F389 A393	M388-R391 PolarHBondContact O-N 3.43Å; F389-R391 PolarHBondContact O-N 3.25Å; F389-R391 VanDerWaalsContact O-N 3.1Å; R391-A393 HydrophobicContact CB-CB 4.45Å; R391-A393 PolarHBondContact O-N 2.99Å; R391-A393 VanDerWaalsContact O-N 3.16Å
392	K	95.5	Very high	95.7	Very high	124 Å²	124	73.1 Å²	73.1	54%	0.539	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	31.8	-169.6	-59.7	-168.1	175.2	-114.6	0	112.5	M388 F389 F394 L395 E405	M388-K392 PolarHBondContact O-N 3.26Å; F389-K392 WeakPolarHBondContact O-CA 3.44Å; F389-K392 PolarHBondContact O-N 3.03Å; K392-F394 PolarHBondContact O-N 3.47Å; K392-L395 HydrophobicContact CB-CD1 3.72Å; K392-L395 HydrophobicContact CB-CG 4.42Å; K392-L395 HydrophobicContact CD-CD1 4.47Å; K392-L395 HydrophobicContact CG-CD1 3.8Å; K392-E405 IonicContact NZ-OE1 2.71Å; K392-E405 PolarHBondContact NZ-OE1 2.87Å; K392-E405 IonicContact NZ-OE2 3.4Å; K392-E405 PolarHBondContact NZ-OE2 3.32Å
393	A	95.3	Very high	95.8	Very high	29 Å²	29	72.8 Å²	72.8	24%	0.24	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	129.4	-177.6	0	0	0	0	0	109	Y183 M388 R391 L395	Y183-A393 WeakPolarHBondContact CE2-O 3.2Å; Y183-A393 PolarHBondContact OH-O 3.3Å; M388-A393 PolarHBondContact O-N 3.36Å; R391-A393 HydrophobicContact CB-CB 4.45Å; R391-A393 PolarHBondContact O-N 2.99Å; R391-A393 VanDerWaalsContact O-N 3.16Å; A393-L395 PolarHBondContact O-N 3.25Å
394	F	95.7	Very high	95.9	Very high	69 Å²	69	70.2 Å²	70.2	30%	0.303	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	3.8	177.6	-48.2	-75.4	0	0	0	117	V179 V180 M388 K392 H396 W397	V179-F394 HydrophobicContact CB-CE2 4.22Å; V179-F394 HydrophobicContact CB-CZ 4.5Å; V179-F394 HydrophobicContact CG2-CD2 4.22Å; V179-F394 HydrophobicContact CG2-CE1 4.25Å; V179-F394 HydrophobicContact CG2-CE2 3.7Å; V179-F394 HydrophobicContact CG2-CZ 3.72Å; V180-F394 HydrophobicContact CG1-CB 3.89Å; V180-F394 HydrophobicContact CG1-CD2 4.17Å; V180-F394 HydrophobicContact CG1-CG 4Å; M388-F394 HydrophobicContact CE-CD2 3.85Å; M388-F394 HydrophobicContact CE-CE2 4.42Å; K392-F394 PolarHBondContact O-N 3.47Å; F394-H396 PolarHBondContact O-N 2.81Å; F394-W397 HydrophobicContact CB-CD2 4.26Å; F394-W397 HydrophobicContact CB-CE3 4.32Å; F394-W397 HydrophobicContact CD1-CD2 4.12Å; F394-W397 AromaticContact CD1-CE2 3.87Å; F394-W397 HydrophobicContact CD1-CE3 4.12Å; F394-W397 AromaticContact CD1-CH2 3.71Å; F394-W397 HydrophobicContact CD1-CH2 3.71Å; F394-W397 AromaticContact CD1-CZ2 3.67Å; F394-W397 HydrophobicContact CD1-CZ2 3.67Å; F394-W397 AromaticContact CD1-CZ3 3.93Å; F394-W397 HydrophobicContact CD1-CZ3 3.93Å; F394-W397 AromaticContact CE1-CH2 3.92Å; F394-W397 HydrophobicContact CE1-CH2 3.92Å; F394-W397 HydrophobicContact CE1-CZ2 4.04Å; F394-W397 HydrophobicContact CE1-CZ3 4.44Å; F394-W397 VanDerWaalsContact O-CB 3.29Å; F394-W397 WeakPolarHBondContact O-CB 3.43Å; F394-W397 PolarHBondContact O-N 3.15Å
395	L	95.3	Very high	95.8	Very high	10 Å²	10	70.8 Å²	70.8	5%	0.052	36%	0.364	C	S	.	.	H	α-helix	trans	-55.5	-39.4	-177.9	-75.8	-178.1	0	0	0	113.3	Y183 F389 K392 A393 W397 Y398 T399 F408	Y183-L395 HydrophobicContact CE1-CD2 4.38Å; Y183-L395 HydrophobicContact CE2-CD2 3.96Å; F389-L395 HydrophobicContact CD2-CD1 4.09Å; F389-L395 HydrophobicContact CD2-CD2 3.76Å; F389-L395 HydrophobicContact CD2-CG 4.45Å; F389-L395 HydrophobicContact CE2-CD1 3.88Å; F389-L395 HydrophobicContact CE2-CD2 3.79Å; F389-L395 HydrophobicContact CE2-CG 4.49Å; K392-L395 HydrophobicContact CB-CD1 3.72Å; K392-L395 HydrophobicContact CB-CG 4.42Å; K392-L395 HydrophobicContact CD-CD1 4.47Å; K392-L395 HydrophobicContact CG-CD1 3.8Å; A393-L395 PolarHBondContact O-N 3.25Å; L395-W397 PolarHBondContact O-N 3.07Å; L395-Y398 PolarHBondContact O-N 2.96Å; L395-T399 PolarHBondContact O-N 3.27Å; L395-F408 HydrophobicContact CD2-CD1 4.25Å; L395-F408 HydrophobicContact CD2-CD2 4.29Å; L395-F408 HydrophobicContact CD2-CE1 4.03Å; L395-F408 HydrophobicContact CD2-CE2 4.06Å; L395-F408 HydrophobicContact CD2-CG 4.38Å; L395-F408 HydrophobicContact CD2-CZ 3.92Å
396	H	95.6	Very high	95.8	Very high	124 Å²	124	76.8 Å²	76.8	57%	0.574	39%	0.393	S	S	*	.	H	α-helix	trans	-59.2	-19.3	177.6	67.4	-73.2	0	0	0	114.2	F394 Y398 T399 G400	F394-H396 PolarHBondContact O-N 2.81Å; H396-Y398 VanDerWaalsContact C-N 3.33Å; H396-T399 WeakPolarHBondContact CA-OG1 3.5Å; H396-G400 WeakPolarHBondContact O-CA 3.27Å; H396-G400 PolarHBondContact O-N 3.43Å
397	W	96.5	Very high	95.9	Very high	117 Å²	117	76.1 Å²	76.1	44%	0.443	39%	0.386	S	S	.	.	H	α-helix	trans	-72	-30	173.3	-64.1	1.4	0	0	0	111.5	N100 V180 F394 L395 E401	N100-W397 PolarHBondContact ND2-O 2.6Å; V180-W397 HydrophobicContact CG1-CE3 4.16Å; V180-W397 HydrophobicContact CG1-CZ3 4.23Å; F394-W397 HydrophobicContact CB-CD2 4.26Å; F394-W397 HydrophobicContact CB-CE3 4.32Å; F394-W397 HydrophobicContact CD1-CD2 4.12Å; F394-W397 AromaticContact CD1-CE2 3.87Å; F394-W397 HydrophobicContact CD1-CE3 4.12Å; F394-W397 AromaticContact CD1-CH2 3.71Å; F394-W397 HydrophobicContact CD1-CH2 3.71Å; F394-W397 AromaticContact CD1-CZ2 3.67Å; F394-W397 HydrophobicContact CD1-CZ2 3.67Å; F394-W397 AromaticContact CD1-CZ3 3.93Å; F394-W397 HydrophobicContact CD1-CZ3 3.93Å; F394-W397 AromaticContact CE1-CH2 3.92Å; F394-W397 HydrophobicContact CE1-CH2 3.92Å; F394-W397 HydrophobicContact CE1-CZ2 4.04Å; F394-W397 HydrophobicContact CE1-CZ3 4.44Å; F394-W397 VanDerWaalsContact O-CB 3.29Å; F394-W397 WeakPolarHBondContact O-CB 3.43Å; F394-W397 PolarHBondContact O-N 3.15Å; L395-W397 PolarHBondContact O-N 3.07Å; W397-E401 WeakPolarHBondContact O-CG 3.32Å
398	Y	98.1	Very high	96	Very high	1 Å²	1	73.4 Å²	73.4	0%	0.004	36%	0.364	C	S	.	.	H	α-helix	trans	-88.8	-47.9	-179.8	-67.7	-108.6	0	0	0	110.7	N100 W101 A102 V180 Y183 N184 L187 L395 H396 G400 E401 M403 F408	N100-Y398 WeakPolarHBondContact OD1-CD1 3.31Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.17Å; W101-Y398 HydrophobicContact CB-CE1 3.98Å; A102-Y398 HydrophobicContact CB-CD1 3.82Å; A102-Y398 HydrophobicContact CB-CG 4.28Å; V180-Y398 HydrophobicContact CB-CE2 4.34Å; V180-Y398 VanDerWaalsContact CB-OH 3.32Å; V180-Y398 WeakPolarHBondContact CB-OH 3.47Å; V180-Y398 HydrophobicContact CG1-CE2 4.42Å; V180-Y398 PolarHBondContact O-OH 2.8Å; Y183-Y398 HydrophobicContact CD2-CD2 4.29Å; Y183-Y398 AromaticContact CD2-CE2 3.67Å; Y183-Y398 HydrophobicContact CD2-CE2 3.67Å; Y183-Y398 AromaticContact CD2-CZ 3.98Å; Y183-Y398 HydrophobicContact CE2-CE2 4.47Å; Y183-Y398 HydrophobicContact CG-CE2 4.48Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.24Å; N184-Y398 PolarHBondContact OD1-OH 3.06Å; L187-Y398 HydrophobicContact CD1-CD1 4.19Å; L187-Y398 HydrophobicContact CD1-CE1 4.12Å; L395-Y398 PolarHBondContact O-N 2.96Å; H396-Y398 VanDerWaalsContact C-N 3.33Å; Y398-G400 PolarHBondContact O-N 2.86Å; Y398-E401 WeakPolarHBondContact O-CB 3.31Å; Y398-E401 PolarHBondContact O-N 3.31Å; Y398-M403 HydrophobicContact CD1-SD 4.07Å; Y398-M403 WeakPolarHBondContact O-CB 3.17Å; Y398-F408 HydrophobicContact CD1-CE1 4.35Å; Y398-F408 AromaticContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD2-CZ 4.11Å; Y398-F408 HydrophobicContact CE1-CZ 4.42Å; Y398-F408 HydrophobicContact CG-CE1 4.43Å; Y398-F408 HydrophobicContact CG-CE2 4.37Å; Y398-F408 AromaticContact CG-CZ 3.54Å; Y398-F408 HydrophobicContact CG-CZ 3.54Å
399	T	96.8	Very high	96.1	Very high	57 Å²	57	75.1 Å²	75.1	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-26.4	178	65.9	0	0	0	0	112.3	L395 H396 E401 G402 M403	L395-T399 PolarHBondContact O-N 3.27Å; H396-T399 WeakPolarHBondContact CA-OG1 3.5Å; T399-E401 PolarHBondContact O-N 3.06Å; T399-G402 PolarHBondContact O-N 3.09Å; T399-G402 VanDerWaalsContact O-N 3.14Å; T399-M403 WeakPolarHBondContact CA-O 3.34Å
400	G	96.1	Very high	96.1	Very high	63 Å²	63	79 Å²	79	65%	0.649	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.5	172.6	0	0	0	0	0	113.8	H396 Y398 G402	H396-G400 WeakPolarHBondContact O-CA 3.27Å; H396-G400 PolarHBondContact O-N 3.43Å; Y398-G400 PolarHBondContact O-N 2.86Å; G400-G402 VanDerWaalsContact C-N 3.31Å
401	E	96.3	Very high	96.3	Very high	56 Å²	56	68.3 Å²	68.3	26%	0.262	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	4.4	175.6	-55.8	-66.9	154.5	0	0	112.3	A102 K103 T107 W397 Y398 T399	A102-E401 HydrophobicContact CB-CB 3.92Å; A102-E401 HydrophobicContact CB-CG 4.34Å; K103-E401 HydrophobicContact CB-CG 4.08Å; T107-E401 HydrophobicContact CG2-CB 4.23Å; T107-E401 VanDerWaalsContact CG2-OE2 3.27Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.48Å; T107-E401 PolarHBondContact OG1-OE2 3.43Å; W397-E401 WeakPolarHBondContact O-CG 3.32Å; Y398-E401 WeakPolarHBondContact O-CB 3.31Å; Y398-E401 PolarHBondContact O-N 3.31Å; T399-E401 PolarHBondContact O-N 3.06Å
402	G	94.5	Very high	96.3	Very high	63 Å²	63	59.9 Å²	59.9	65%	0.649	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	0.2	177.1	0	0	0	0	0	115.8	T399 G400	T399-G402 PolarHBondContact O-N 3.09Å; T399-G402 VanDerWaalsContact O-N 3.14Å; G400-G402 VanDerWaalsContact C-N 3.31Å
403	M	97	Very high	96.4	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.025	32%	0.317	C	S	.	.			trans	-71.4	139.8	177	-176	179	173.3	0	0	112.2	W101 A102 Y106 L187 Y398 T399 E407 F408	W101-M403 HydrophobicContact CE3-SD 4.16Å; W101-M403 HydrophobicContact CZ3-CE 4.41Å; W101-M403 HydrophobicContact CZ3-SD 4.11Å; A102-M403 HydrophobicContact CB-CB 4.01Å; A102-M403 HydrophobicContact CB-SD 3.97Å; Y106-M403 HydrophobicContact CD2-CB 3.91Å; Y106-M403 HydrophobicContact CD2-CG 4.42Å; Y106-M403 HydrophobicContact CE2-CB 3.71Å; Y106-M403 HydrophobicContact CE2-CG 3.76Å; Y106-M403 HydrophobicContact CE2-SD 4.44Å; L187-M403 HydrophobicContact CD1-CE 3.63Å; L187-M403 HydrophobicContact CD1-SD 4.04Å; L187-M403 HydrophobicContact CD2-CE 3.36Å; L187-M403 HydrophobicContact CG-CE 4.13Å; Y398-M403 HydrophobicContact CD1-SD 4.07Å; Y398-M403 WeakPolarHBondContact O-CB 3.17Å; T399-M403 WeakPolarHBondContact CA-O 3.34Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.48Å; M403-F408 HydrophobicContact CE-CD1 4.5Å; M403-F408 HydrophobicContact CE-CD2 3.63Å; M403-F408 HydrophobicContact CE-CE1 4.36Å; M403-F408 HydrophobicContact CE-CE2 3.47Å; M403-F408 VanDerWaalsContact CE-CE2 3.47Å; M403-F408 HydrophobicContact CE-CG 4.16Å; M403-F408 HydrophobicContact CE-CZ 3.86Å; M403-F408 HydrophobicContact CG-CE2 4.39Å; M403-F408 HydrophobicContact SD-CD2 4.39Å; M403-F408 HydrophobicContact SD-CE2 3.66Å; M403-F408 HydrophobicContact SD-CZ 3.91Å
404	D	96.1	Very high	96.6	Very high	85 Å²	85	56.2 Å²	56.2	46%	0.455	31%	0.31	S	S	.	.			trans	-78.6	143.8	174.9	-160.8	-42.9	0	0	0	111.2	M406 E407	D404-M406 PolarHBondContact O-N 3.04Å; D404-M406 PolarHBondContact OD1-N 3.33Å; D404-E407 HydrophobicContact CB-CG 4.25Å; D404-E407 PolarHBondContact N-OE1 3.46Å; D404-E407 PolarHBondContact O-N 3.11Å
405	E	94.1	Very high	96.6	Very high	75 Å²	75	53 Å²	53	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-27.1	173.2	-169.7	174.2	170.6	0	0	111.4	F389 K392 E407 F408	F389-E405 HydrophobicContact CE2-CG 4.35Å; F389-E405 HydrophobicContact CZ-CG 4.15Å; K392-E405 IonicContact NZ-OE1 2.71Å; K392-E405 PolarHBondContact NZ-OE1 2.87Å; K392-E405 IonicContact NZ-OE2 3.4Å; K392-E405 PolarHBondContact NZ-OE2 3.32Å; E405-E407 VanDerWaalsContact C-N 3.3Å; E405-E407 PolarHBondContact O-N 3.44Å; E405-F408 WeakPolarHBondContact O-CB 3.49Å; E405-F408 PolarHBondContact O-N 2.97Å
406	M	95.8	Very high	96.7	Very high	125 Å²	125	55.6 Å²	55.6	62%	0.616	31%	0.31	S	S	*	.	H	α-helix	trans	-64.4	-32.7	177.5	-64.5	-166.9	-168.7	0	0	112.9	D404 F408 T409 E410	D404-M406 PolarHBondContact O-N 3.04Å; D404-M406 PolarHBondContact OD1-N 3.33Å; M406-F408 PolarHBondContact O-N 3.24Å; M406-T409 PolarHBondContact O-N 2.94Å; M406-T409 PolarHBondContact O-OG1 3.33Å; M406-E410 PolarHBondContact O-N 3.39Å
407	E	97.3	Very high	96.8	Very high	45 Å²	45	53.4 Å²	53.4	21%	0.21	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-33.2	179.2	-67.3	175.8	-121.6	0	0	112.2	Y106 M403 D404 E405 T409 E410 A411	Y106-E407 PolarHBondContact OH-OE1 3.22Å; Y106-E407 PolarHBondContact OH-OE2 3.36Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.48Å; D404-E407 HydrophobicContact CB-CG 4.25Å; D404-E407 PolarHBondContact N-OE1 3.46Å; D404-E407 PolarHBondContact O-N 3.11Å; E405-E407 VanDerWaalsContact C-N 3.3Å; E405-E407 PolarHBondContact O-N 3.44Å; E407-T409 VanDerWaalsContact C-N 3.33Å; E407-T409 PolarHBondContact O-N 3.1Å; E407-E410 PolarHBondContact O-N 2.87Å; E407-A411 WeakPolarHBondContact O-CB 3.46Å; E407-A411 PolarHBondContact O-N 3.19Å
408	F	97.5	Very high	96.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-44.6	173	-77.2	-86.1	0	0	0	111.6	Y183 L187 F385 F389 L395 Y398 M403 E405 M406 A411 E412	Y183-F408 HydrophobicContact CD1-CD1 4.14Å; Y183-F408 AromaticContact CD1-CE1 3.89Å; Y183-F408 HydrophobicContact CD1-CE1 3.89Å; Y183-F408 HydrophobicContact CD2-CE1 4.16Å; Y183-F408 HydrophobicContact CE1-CD1 4.45Å; Y183-F408 HydrophobicContact CE1-CE1 4.37Å; Y183-F408 HydrophobicContact CG-CD1 4.47Å; Y183-F408 AromaticContact CG-CE1 3.78Å; Y183-F408 HydrophobicContact CG-CE1 3.78Å; L187-F408 HydrophobicContact CD1-CE1 4.04Å; L187-F408 HydrophobicContact CD1-CZ 4.34Å; F385-F408 AromaticContact CE2-CD1 3.77Å; F385-F408 HydrophobicContact CE2-CD1 3.77Å; F385-F408 HydrophobicContact CZ-CB 4.01Å; F385-F408 AromaticContact CZ-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CG 4.49Å; F385-F408 WeakPolarHBondContact CZ-O 3.38Å; F389-F408 HydrophobicContact CD2-CB 4.1Å; F389-F408 HydrophobicContact CD2-CD1 4.34Å; F389-F408 HydrophobicContact CD2-CG 4.32Å; F389-F408 HydrophobicContact CE2-CB 3.46Å; F389-F408 VanDerWaalsContact CE2-CB 3.46Å; F389-F408 HydrophobicContact CE2-CD1 4.31Å; F389-F408 HydrophobicContact CE2-CD2 4.43Å; F389-F408 AromaticContact CE2-CG 3.84Å; F389-F408 HydrophobicContact CE2-CG 3.84Å; F389-F408 HydrophobicContact CZ-CB 4.01Å; L395-F408 HydrophobicContact CD2-CD1 4.25Å; L395-F408 HydrophobicContact CD2-CD2 4.29Å; L395-F408 HydrophobicContact CD2-CE1 4.03Å; L395-F408 HydrophobicContact CD2-CE2 4.06Å; L395-F408 HydrophobicContact CD2-CG 4.38Å; L395-F408 HydrophobicContact CD2-CZ 3.92Å; Y398-F408 HydrophobicContact CD1-CE1 4.35Å; Y398-F408 AromaticContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD1-CZ 3.7Å; Y398-F408 HydrophobicContact CD2-CZ 4.11Å; Y398-F408 HydrophobicContact CE1-CZ 4.42Å; Y398-F408 HydrophobicContact CG-CE1 4.43Å; Y398-F408 HydrophobicContact CG-CE2 4.37Å; Y398-F408 AromaticContact CG-CZ 3.54Å; Y398-F408 HydrophobicContact CG-CZ 3.54Å; M403-F408 HydrophobicContact CE-CD1 4.5Å; M403-F408 HydrophobicContact CE-CD2 3.63Å; M403-F408 HydrophobicContact CE-CE1 4.36Å; M403-F408 HydrophobicContact CE-CE2 3.47Å; M403-F408 VanDerWaalsContact CE-CE2 3.47Å; M403-F408 HydrophobicContact CE-CG 4.16Å; M403-F408 HydrophobicContact CE-CZ 3.86Å; M403-F408 HydrophobicContact CG-CE2 4.39Å; M403-F408 HydrophobicContact SD-CD2 4.39Å; M403-F408 HydrophobicContact SD-CE2 3.66Å; M403-F408 HydrophobicContact SD-CZ 3.91Å; E405-F408 WeakPolarHBondContact O-CB 3.49Å; E405-F408 PolarHBondContact O-N 2.97Å; M406-F408 PolarHBondContact O-N 3.24Å; F408-A411 PolarHBondContact O-N 3.45Å; F408-E412 WeakPolarHBondContact O-CB 3.35Å; F408-E412 PolarHBondContact O-N 3.36Å
409	T	96.4	Very high	96.9	Very high	64 Å²	64	48.5 Å²	48.5	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-71.7	-35.1	-178.6	56.7	0	0	0	0	112.2	F389 M406 E407 S413	F389-T409 HydrophobicContact CE1-CG2 3.81Å; F389-T409 HydrophobicContact CZ-CG2 3.81Å; M406-T409 PolarHBondContact O-N 2.94Å; M406-T409 PolarHBondContact O-OG1 3.33Å; E407-T409 VanDerWaalsContact C-N 3.33Å; E407-T409 PolarHBondContact O-N 3.1Å; T409-S413 WeakPolarHBondContact O-CB 3.43Å; T409-S413 PolarHBondContact O-N 2.92Å
410	E	97.8	Very high	96.9	Very high	112 Å²	112	49.1 Å²	49.1	52%	0.523	29%	0.293	S	S	.	.	H	α-helix	trans	-66.1	-43	173.8	-70.1	176.7	-179	0	0	111.4	M406 E407 S413 N414	M406-E410 PolarHBondContact O-N 3.39Å; E407-E410 PolarHBondContact O-N 2.87Å; E410-S413 PolarHBondContact O-N 3.48Å; E410-N414 WeakPolarHBondContact O-CB 3.33Å; E410-N414 PolarHBondContact O-N 2.94Å
411	A	97.7	Very high	97	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-43.3	176.3	0	0	0	0	0	112.6	T186 L187 H190 E407 F408 N414 M415	T186-A411 HydrophobicContact CG2-CB 4Å; L187-A411 HydrophobicContact CD2-CB 3.81Å; H190-A411 HydrophobicContact CB-CB 3.71Å; E407-A411 WeakPolarHBondContact O-CB 3.46Å; E407-A411 PolarHBondContact O-N 3.19Å; F408-A411 PolarHBondContact O-N 3.45Å; A411-N414 PolarHBondContact O-N 2.96Å; A411-M415 WeakPolarHBondContact O-CB 3.35Å; A411-M415 PolarHBondContact O-N 2.87Å; A411-M415 VanDerWaalsContact O-N 3.1Å
412	E	97.4	Very high	97	Very high	33 Å²	33	45.6 Å²	45.6	15%	0.154	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-43.8	174.1	-173.7	179.6	-142	0	0	111.3	F385 T386 F408 M415 N416	F385-E412 HydrophobicContact CD1-CB 4.18Å; F385-E412 HydrophobicContact CD1-CG 3.96Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.35Å; F385-E412 HydrophobicContact CE1-CB 3.64Å; F385-E412 VanDerWaalsContact CE1-CD 3.45Å; F385-E412 HydrophobicContact CE1-CG 3.82Å; F385-E412 HydrophobicContact CZ-CB 4.13Å; T386-E412 PolarHBondContact OG1-OE1 3.45Å; F408-E412 WeakPolarHBondContact O-CB 3.35Å; F408-E412 PolarHBondContact O-N 3.36Å; E412-M415 PolarHBondContact O-N 2.97Å; E412-N416 VanDerWaalsContact O-CG 3.27Å; E412-N416 PolarHBondContact O-N 3.49Å; E412-N416 PolarHBondContact O-ND2 3.34Å; E412-N416 VanDerWaalsContact O-ND2 3.12Å
413	S	97.6	Very high	97.2	Very high	59 Å²	59	45.2 Å²	45.2	41%	0.413	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-51.8	176.7	-166.3	0	0	0	0	111.3	T409 E410 M415 N416 D417	T409-S413 WeakPolarHBondContact O-CB 3.43Å; T409-S413 PolarHBondContact O-N 2.92Å; E410-S413 PolarHBondContact O-N 3.48Å; S413-M415 PolarHBondContact O-N 3.07Å; S413-N416 PolarHBondContact O-N 2.98Å; S413-D417 VanDerWaalsContact O-CG 3.26Å; S413-D417 PolarHBondContact O-N 3.36Å
414	N	98	Very high	97.1	Very high	17 Å²	17	50.1 Å²	50.1	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-37.6	-178.4	-164.4	17.9	0	0	0	111.7	H190 E194 R262 E410 A411 D417 L418	H190-N414 WeakPolarHBondContact ND1-CB 3.45Å; H190-N414 PolarHBondContact ND1-ND2 3.46Å; E194-N414 PolarHBondContact OE1-ND2 2.79Å; R262-N414 PolarHBondContact NH1-OD1 2.81Å; R262-N414 PolarHBondContact NH2-OD1 2.85Å; E410-N414 WeakPolarHBondContact O-CB 3.33Å; E410-N414 PolarHBondContact O-N 2.94Å; A411-N414 PolarHBondContact O-N 2.96Å; N414-D417 PolarHBondContact O-N 2.79Å; N414-L418 WeakPolarHBondContact O-CB 3.48Å; N414-L418 PolarHBondContact O-N 3.1Å
415	M	97.4	Very high	97	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-67.7	-38.1	175.5	-176.5	172.5	53.2	0	0	112.5	T186 V189 F378 I381 S382 A411 E412 S413 V419	T186-M415 HydrophobicContact CG2-CE 3.7Å; V189-M415 HydrophobicContact CG1-CG 4.48Å; F378-M415 HydrophobicContact CB-CG 4.03Å; F378-M415 HydrophobicContact CB-SD 4.27Å; I381-M415 HydrophobicContact CB-SD 4.32Å; I381-M415 HydrophobicContact CG2-CE 4.39Å; I381-M415 HydrophobicContact CG2-SD 4.14Å; S382-M415 VanDerWaalsContact CA-CE 3.5Å; S382-M415 VanDerWaalsContact CB-CE 3.49Å; A411-M415 WeakPolarHBondContact O-CB 3.35Å; A411-M415 PolarHBondContact O-N 2.87Å; A411-M415 VanDerWaalsContact O-N 3.1Å; E412-M415 PolarHBondContact O-N 2.97Å; S413-M415 PolarHBondContact O-N 3.07Å; M415-V419 WeakPolarHBondContact O-CG2 3.43Å; M415-V419 PolarHBondContact O-N 2.84Å
416	N	97.4	Very high	97	Very high	65 Å²	65	45.6 Å²	45.6	35%	0.348	24%	0.239	S	C	.	.	H	α-helix	trans	-69.7	-36	175.3	-69	-33.2	0	0	0	112.1	S382 E412 S413 V419 S420	S382-N416 PolarHBondContact OG-OD1 3.38Å; E412-N416 VanDerWaalsContact O-CG 3.27Å; E412-N416 PolarHBondContact O-N 3.49Å; E412-N416 PolarHBondContact O-ND2 3.34Å; E412-N416 VanDerWaalsContact O-ND2 3.12Å; S413-N416 PolarHBondContact O-N 2.98Å; N416-V419 PolarHBondContact O-N 3.25Å; N416-S420 PolarHBondContact O-N 2.85Å; N416-S420 PolarHBondContact O-OG 2.77Å
417	D	97.9	Very high	96.9	Very high	79 Å²	79	44.4 Å²	44.4	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-64.7	-46.4	174.2	-64.6	-28.6	0	0	0	110.1	S413 N414 V419 S420 E421	S413-D417 VanDerWaalsContact O-CG 3.26Å; S413-D417 PolarHBondContact O-N 3.36Å; N414-D417 PolarHBondContact O-N 2.79Å; D417-V419 VanDerWaalsContact C-N 3.31Å; D417-V419 PolarHBondContact O-N 2.74Å; D417-S420 CarbonylContact O-C 3.55Å; D417-S420 WeakPolarHBondContact O-CA 3.39Å; D417-S420 WeakPolarHBondContact O-CB 3.29Å; D417-S420 PolarHBondContact O-N 2.93Å; D417-E421 PolarHBondContact O-N 3.42Å
418	L	97.9	Very high	96.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.3	-44.8	173.3	179.2	68.5	0	0	0	112.2	V189 V193 R262 L263 F265 F378 N414 S420 E421 Y422	V189-L418 HydrophobicContact CG1-CD2 4.49Å; V193-L418 HydrophobicContact CG2-CD2 3.76Å; R262-L418 HydrophobicContact CB-CD1 4.27Å; R262-L418 WeakPolarHBondContact O-CD1 3.13Å; L263-L418 HydrophobicContact CD2-CD1 4.05Å; F265-L418 HydrophobicContact CD2-CD2 4.34Å; F265-L418 HydrophobicContact CE2-CD1 4.38Å; F265-L418 HydrophobicContact CE2-CD2 3.78Å; F265-L418 HydrophobicContact CZ-CD2 4.29Å; F378-L418 HydrophobicContact CD2-CD2 3.9Å; F378-L418 HydrophobicContact CE1-CD2 4.44Å; F378-L418 HydrophobicContact CE2-CD2 3.64Å; F378-L418 HydrophobicContact CE2-CG 4.41Å; F378-L418 HydrophobicContact CG-CD2 4.42Å; F378-L418 HydrophobicContact CZ-CD2 3.95Å; N414-L418 WeakPolarHBondContact O-CB 3.48Å; N414-L418 PolarHBondContact O-N 3.1Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 3.5Å; L418-E421 PolarHBondContact O-N 3.21Å; L418-Y422 HydrophobicContact CD1-CD2 4.11Å; L418-Y422 HydrophobicContact CD1-CE2 3.7Å; L418-Y422 HydrophobicContact CD2-CE2 4.31Å; L418-Y422 HydrophobicContact CG-CD2 4.01Å; L418-Y422 HydrophobicContact CG-CE2 3.83Å; L418-Y422 VanDerWaalsContact O-CD2 3.27Å; L418-Y422 WeakPolarHBondContact O-CD2 3.48Å; L418-Y422 PolarHBondContact O-N 3.29Å
419	V	97.8	Very high	95.7	Very high	14 Å²	14	46 Å²	46	9%	0.085	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-40.3	175.5	164.4	0	0	0	0	111.3	Q375 F378 K379 M415 N416 D417 Y422 Q423	Q375-V419 HydrophobicContact CB-CG1 4.39Å; Q375-V419 HydrophobicContact CB-CG2 4.41Å; F378-V419 HydrophobicContact CB-CG2 3.64Å; F378-V419 HydrophobicContact CD2-CG2 4.48Å; K379-V419 HydrophobicContact CD-CG1 4.3Å; K379-V419 HydrophobicContact CG-CG1 4.03Å; K379-V419 HydrophobicContact CG-CG2 4.27Å; M415-V419 WeakPolarHBondContact O-CG2 3.43Å; M415-V419 PolarHBondContact O-N 2.84Å; N416-V419 PolarHBondContact O-N 3.25Å; D417-V419 VanDerWaalsContact C-N 3.31Å; D417-V419 PolarHBondContact O-N 2.74Å; V419-Y422 PolarHBondContact O-N 3.16Å; V419-Q423 WeakPolarHBondContact O-CB 3.19Å; V419-Q423 PolarHBondContact O-N 2.91Å
420	S	97.6	Very high	94.7	Very high	71 Å²	71	45 Å²	45	50%	0.497	25%	0.248	S	C	.	.	H	α-helix	trans	-68	-39.1	179.2	-56.9	0	0	0	0	111.7	N416 D417 L418 Q423 Q424	N416-S420 PolarHBondContact O-N 2.85Å; N416-S420 PolarHBondContact O-OG 2.77Å; D417-S420 CarbonylContact O-C 3.55Å; D417-S420 WeakPolarHBondContact O-CA 3.39Å; D417-S420 WeakPolarHBondContact O-CB 3.29Å; D417-S420 PolarHBondContact O-N 2.93Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 3.5Å; S420-Q423 WeakPolarHBondContact O-CB 3.33Å; S420-Q423 PolarHBondContact O-N 3.38Å; S420-Q424 PolarHBondContact O-N 3.07Å
421	E	96.9	Very high	93.3	Very high	44 Å²	44	47.4 Å²	47.4	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-49.4	173.2	-72.6	169.6	-122.7	0	0	111.4	R262 L263 D417 L418 Q423 Q424 Y425	R262-E421 WeakPolarHBondContact CB-OE2 3.44Å; R262-E421 WeakPolarHBondContact CD-OE2 3.26Å; R262-E421 IonicContact CZ-OE1 2.79Å; R262-E421 VanDerWaalsContact NE-CD 3.27Å; R262-E421 IonicContact NE-OE1 3.43Å; R262-E421 PolarHBondContact NE-OE1 3.1Å; R262-E421 IonicContact NE-OE2 3.35Å; R262-E421 PolarHBondContact NE-OE2 3.16Å; R262-E421 IonicContact NH2-OE1 2.87Å; R262-E421 PolarHBondContact NH2-OE1 3.36Å; L263-E421 HydrophobicContact CD2-CB 4.28Å; D417-E421 PolarHBondContact O-N 3.42Å; L418-E421 PolarHBondContact O-N 3.21Å; E421-Q423 PolarHBondContact O-N 2.88Å; E421-Q424 WeakPolarHBondContact O-CB 3.38Å; E421-Q424 PolarHBondContact O-N 2.93Å; E421-Q424 VanDerWaalsContact O-N 3.13Å; E421-Y425 WeakPolarHBondContact O-CD2 3.38Å; E421-Y425 PolarHBondContact O-N 3.17Å
422	Y	97.8	Very high	91.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.6	-38.5	174.3	-85.3	-66.5	0	0	0	112.3	L263 T372 I374 F378 L418 V419 Q426	L263-Y422 WeakPolarHBondContact CA-OH 3.45Å; L263-Y422 HydrophobicContact CB-CE1 3.87Å; L263-Y422 HydrophobicContact CD1-CD1 3.59Å; L263-Y422 HydrophobicContact CD1-CE1 3.66Å; L263-Y422 HydrophobicContact CD1-CG 4.29Å; L263-Y422 HydrophobicContact CD2-CD1 3.99Å; L263-Y422 HydrophobicContact CD2-CD2 3.99Å; L263-Y422 HydrophobicContact CD2-CE1 3.84Å; L263-Y422 HydrophobicContact CD2-CE2 3.81Å; L263-Y422 HydrophobicContact CD2-CG 4.07Å; L263-Y422 HydrophobicContact CG-CD1 4.26Å; L263-Y422 HydrophobicContact CG-CE1 3.97Å; T372-Y422 HydrophobicContact CG2-CD1 4.25Å; T372-Y422 WeakPolarHBondContact CG2-O 3.37Å; I374-Y422 HydrophobicContact CG2-CD1 4.07Å; I374-Y422 HydrophobicContact CG2-CD2 4.14Å; I374-Y422 HydrophobicContact CG2-CE1 3.58Å; I374-Y422 HydrophobicContact CG2-CE2 3.68Å; I374-Y422 HydrophobicContact CG2-CG 4.33Å; F378-Y422 HydrophobicContact CD2-CE2 4.46Å; F378-Y422 HydrophobicContact CE2-CD2 4.42Å; F378-Y422 AromaticContact CE2-CE2 3.85Å; F378-Y422 HydrophobicContact CE2-CE2 3.85Å; L418-Y422 HydrophobicContact CD1-CD2 4.11Å; L418-Y422 HydrophobicContact CD1-CE2 3.7Å; L418-Y422 HydrophobicContact CD2-CE2 4.31Å; L418-Y422 HydrophobicContact CG-CD2 4.01Å; L418-Y422 HydrophobicContact CG-CE2 3.83Å; L418-Y422 VanDerWaalsContact O-CD2 3.27Å; L418-Y422 WeakPolarHBondContact O-CD2 3.48Å; L418-Y422 PolarHBondContact O-N 3.29Å; V419-Y422 PolarHBondContact O-N 3.16Å; Y422-Q426 WeakPolarHBondContact O-CB 3.34Å; Y422-Q426 PolarHBondContact O-N 2.74Å
423	Q	96.8	Very high	89.4	Confident	56 Å²	56	52.4 Å²	52.4	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-67.8	-42	177.4	-172.4	60.7	55.6	0	0	111.8	V419 S420 E421 Q426 D427	V419-Q423 WeakPolarHBondContact O-CB 3.19Å; V419-Q423 PolarHBondContact O-N 2.91Å; S420-Q423 WeakPolarHBondContact O-CB 3.33Å; S420-Q423 PolarHBondContact O-N 3.38Å; E421-Q423 PolarHBondContact O-N 2.88Å; Q423-Q426 WeakPolarHBondContact O-CB 3.48Å; Q423-Q426 PolarHBondContact O-N 2.9Å; Q423-D427 VanDerWaalsContact NE2-CG 3.3Å; Q423-D427 PolarHBondContact NE2-OD1 3.02Å; Q423-D427 PolarHBondContact NE2-OD2 3.49Å; Q423-D427 PolarHBondContact O-N 2.98Å; Q423-D427 VanDerWaalsContact O-N 3.15Å
424	Q	96	Very high	87.3	Confident	107 Å²	107	56.6 Å²	56.6	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-57.2	-51.9	175.3	178.3	-178.9	-14.7	0	0	110.9	S420 E421 Q426 D427 A428	S420-Q424 PolarHBondContact O-N 3.07Å; E421-Q424 WeakPolarHBondContact O-CB 3.38Å; E421-Q424 PolarHBondContact O-N 2.93Å; E421-Q424 VanDerWaalsContact O-N 3.13Å; Q424-Q426 VanDerWaalsContact C-N 3.27Å; Q424-Q426 PolarHBondContact O-N 3.06Å; Q424-D427 PolarHBondContact O-N 3.02Å; Q424-A428 PolarHBondContact O-N 3.06Å
425	Y	94.6	Very high	84.7	Confident	30 Å²	30	63 Å²	63	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-71	-20.9	-179.8	-67.4	-65.3	0	0	0	114	F260 L263 W344 E421 E436	F260-Y425 HydrophobicContact CD1-CE1 4.23Å; F260-Y425 AromaticContact CD1-CZ 3.83Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.25Å; F260-Y425 AromaticContact CD2-CD1 3.99Å; F260-Y425 HydrophobicContact CD2-CD1 3.99Å; F260-Y425 HydrophobicContact CD2-CD2 4.11Å; F260-Y425 AromaticContact CD2-CE1 3.74Å; F260-Y425 HydrophobicContact CD2-CE1 3.74Å; F260-Y425 AromaticContact CD2-CE2 3.84Å; F260-Y425 HydrophobicContact CD2-CE2 3.84Å; F260-Y425 HydrophobicContact CD2-CG 4.16Å; F260-Y425 AromaticContact CD2-CZ 3.63Å; F260-Y425 AromaticContact CE1-CE1 3.71Å; F260-Y425 HydrophobicContact CE1-CE1 3.71Å; F260-Y425 AromaticContact CE1-CZ 3.76Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.45Å; F260-Y425 AromaticContact CE2-CD1 3.34Å; F260-Y425 HydrophobicContact CE2-CD1 3.34Å; F260-Y425 HydrophobicContact CE2-CD2 4.29Å; F260-Y425 AromaticContact CE2-CE1 3.14Å; F260-Y425 HydrophobicContact CE2-CE1 3.14Å; F260-Y425 HydrophobicContact CE2-CE2 4.12Å; F260-Y425 AromaticContact CE2-CG 3.92Å; F260-Y425 HydrophobicContact CE2-CG 3.92Å; F260-Y425 AromaticContact CE2-CZ 3.55Å; F260-Y425 HydrophobicContact CG-CE1 4.24Å; F260-Y425 HydrophobicContact CG-CE2 4.07Å; F260-Y425 AromaticContact CG-CZ 3.77Å; F260-Y425 AromaticContact CZ-CD1 3.75Å; F260-Y425 HydrophobicContact CZ-CD1 3.75Å; F260-Y425 AromaticContact CZ-CE1 3.14Å; F260-Y425 HydrophobicContact CZ-CE1 3.14Å; F260-Y425 AromaticContact CZ-CZ 3.63Å; L263-Y425 HydrophobicContact CD1-CD2 3.61Å; L263-Y425 HydrophobicContact CD1-CE2 4.24Å; L263-Y425 HydrophobicContact CD1-CG 4.29Å; L263-Y425 HydrophobicContact CG-CD2 4.42Å; W344-Y425 HydrophobicContact CH2-CD1 4.31Å; W344-Y425 HydrophobicContact CZ2-CD1 4.37Å; E421-Y425 WeakPolarHBondContact O-CD2 3.38Å; E421-Y425 PolarHBondContact O-N 3.17Å; Y425-E436 WeakPolarHBondContact CE1-OE2 3.45Å
426	Q	94.2	Very high	82.6	Confident	36 Å²	36	66.7 Å²	66.7	17%	0.168	35%	0.347	C	S	.	.	H	α-helix	trans	-68.5	-39.5	171.3	-174.3	-179.9	-72.5	0	0	112	G308 R309 T372 Q375 Y422 Q423 Q424	G308-Q426 VanDerWaalsContact CA-OE1 3.29Å; R309-Q426 HydrophobicContact CG-CG 4.09Å; T372-Q426 HydrophobicContact CG2-CB 3.88Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.41Å; T372-Q426 PolarHBondContact OG1-OE1 3.45Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.16Å; Y422-Q426 WeakPolarHBondContact O-CB 3.34Å; Y422-Q426 PolarHBondContact O-N 2.74Å; Q423-Q426 WeakPolarHBondContact O-CB 3.48Å; Q423-Q426 PolarHBondContact O-N 2.9Å; Q424-Q426 VanDerWaalsContact C-N 3.27Å; Q424-Q426 PolarHBondContact O-N 3.06Å
427	D	92.4	Very high	80.2	Confident	100 Å²	100	70.9 Å²	70.9	54%	0.535	36%	0.364	S	S	.	.	H	α-helix	trans	-90.3	-14.8	-176	-62.1	-26.3	0	0	0	112.2	Q423 Q424	Q423-D427 VanDerWaalsContact NE2-CG 3.3Å; Q423-D427 PolarHBondContact NE2-OD1 3.02Å; Q423-D427 PolarHBondContact NE2-OD2 3.49Å; Q423-D427 PolarHBondContact O-N 2.98Å; Q423-D427 VanDerWaalsContact O-N 3.15Å; Q424-D427 PolarHBondContact O-N 3.02Å
428	A	88.8	Confident	77.4	Confident	21 Å²	21	73.5 Å²	73.5	17%	0.174	37%	0.374	C	S	.	.			trans	-57.2	138.1	177	0	0	0	0	0	112.5	W344 Q424	W344-A428 PolarHBondContact NE1-O 3.24Å; Q424-A428 PolarHBondContact O-N 3.06Å
429	T	81.6	Confident	74.8	Confident	56 Å²	56	76.1 Å²	76.1	34%	0.344	40%	0.396	S	S	.	.			trans	-109.2	164.4	178.3	62.2	0	0	0	0	111.4	E431 E432 G433	T429-E431 PolarHBondContact O-N 2.67Å; T429-E431 VanDerWaalsContact O-N 3.15Å; T429-E432 PolarHBondContact N-OE2 3.36Å; T429-E432 PolarHBondContact O-N 2.99Å; T429-G433 PolarHBondContact O-N 2.77Å
430	A	74.1	Confident	72.1	Confident	44 Å²	44	82 Å²	82	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-56.7	-28.2	176.9	0	0	0	0	0	114	E343 E432	E343-A430 HydrophobicContact CG-CB 4.14Å; E343-A430 PolarHBondContact OE1-N 2.9Å; A430-E432 VanDerWaalsContact C-N 3.32Å
431	E	70	Confident	69.5	Low	162 Å²	162	86.5 Å²	86.5	76%	0.757	44%	0.435	S	S	*	.	H	α-helix	trans	-73.8	-22.4	178.2	-63.3	-177.2	179.6	0	0	113.1	T429 F435	T429-E431 PolarHBondContact O-N 2.67Å; T429-E431 VanDerWaalsContact O-N 3.15Å; E431-F435 WeakPolarHBondContact O-CD2 3.45Å; E431-F435 WeakPolarHBondContact O-CE2 3.5Å
432	E	59.6	Low	66.8	Low	115 Å²	115	92.9 Å²	92.9	54%	0.537	47%	0.465	S	S	.	.	H	α-helix	trans	-91.6	-30.5	180	-69.4	172.7	161.4	0	0	112.2	T429 A430 E434 F435	T429-E432 PolarHBondContact N-OE2 3.36Å; T429-E432 PolarHBondContact O-N 2.99Å; A430-E432 VanDerWaalsContact C-N 3.32Å; E432-E434 PolarHBondContact O-N 3.42Å; E432-F435 PolarHBondContact O-N 3.31Å
433	G	53.3	Low	64	Low	24 Å²	24	99 Å²	99	25%	0.247	50%	0.502	C	S	.	.	H	α-helix	trans	-66.6	-28.1	-178.1	0	0	0	0	0	115.1	T429 F435 E436	T429-G433 PolarHBondContact O-N 2.77Å; G433-F435 PolarHBondContact O-N 3.33Å; G433-E436 PolarHBondContact O-N 2.92Å
434	E	52.8	Low	61.3	Low	146 Å²	146	103.7 Å²	103.7	68%	0.682	55%	0.55	S	S	*	*	H	α-helix	trans	-64	-25	176	-71.2	-174.4	172.1	0	0	112.3	E432	E432-E434 PolarHBondContact O-N 3.42Å
435	F	44	Very low	59.6	Low	152 Å²	152	103.5 Å²	103.5	67%	0.667	55%	0.553	S	S	*	*	H	α-helix	trans	-80.7	-25	-177.3	-72	-83.8	0	0	0	114.3	E431 E432 G433 A439	E431-F435 WeakPolarHBondContact O-CD2 3.45Å; E431-F435 WeakPolarHBondContact O-CE2 3.5Å; E432-F435 PolarHBondContact O-N 3.31Å; G433-F435 PolarHBondContact O-N 3.33Å; F435-A439 PolarHBondContact O-N 3.2Å
436	E	52.7	Low	57.8	Low	79 Å²	79	107.4 Å²	107.4	37%	0.369	58%	0.576	S	S	.	*	H	α-helix	trans	-87.2	-34.7	179.6	-75.7	-177.2	172.3	0	0	112.4	Y425 G433 E438 A439 E440	Y425-E436 WeakPolarHBondContact CE1-OE2 3.45Å; G433-E436 PolarHBondContact O-N 2.92Å; E436-E438 VanDerWaalsContact C-N 3.32Å; E436-E438 PolarHBondContact O-N 2.93Å; E436-A439 PolarHBondContact O-N 3.4Å; E436-A439 VanDerWaalsContact O-N 3.14Å; E436-E440 PolarHBondContact O-N 2.55Å; E436-E440 VanDerWaalsContact O-N 3.14Å
437	E	47.8	Very low	55.7	Low	153 Å²	153	111.3 Å²	111.3	72%	0.715	60%	0.598	S	S	*	*	H	α-helix	trans	-62.7	-38	172	-76.3	-169.4	169.1	0	0	111.6	A439 E441	E437-A439 VanDerWaalsContact C-N 3.32Å; E437-A439 PolarHBondContact O-N 2.71Å; E437-E441 PolarHBondContact O-N 3.14Å
438	E	39.6	Very low	53.6	Low	134 Å²	134	112 Å²	112	63%	0.626	60%	0.602	S	S	*	*	H	α-helix	trans	-66.6	-31.8	173.5	-74.2	-170.6	168	0	0	112.6	E436 E442	E436-E438 VanDerWaalsContact C-N 3.32Å; E436-E438 PolarHBondContact O-N 2.93Å; E438-E442 PolarHBondContact O-N 2.99Å
439	A	42.3	Very low	51.4	Low	55 Å²	55	117.7 Å²	117.7	46%	0.455	63%	0.629	S	S	.	*	H	α-helix	trans	-74.4	-31.4	-179.9	0	0	0	0	0	113.1	F435 E436 E437 V443	F435-A439 PolarHBondContact O-N 3.2Å; E436-A439 PolarHBondContact O-N 3.4Å; E436-A439 VanDerWaalsContact O-N 3.14Å; E437-A439 VanDerWaalsContact C-N 3.32Å; E437-A439 PolarHBondContact O-N 2.71Å; A439-V443 WeakPolarHBondContact O-CG2 3.27Å
440	E	41.9	Very low	49.4	Very low	138 Å²	138	121.8 Å²	121.8	65%	0.645	65%	0.648	S	S	*	*	H	α-helix	trans	-78.3	-31.6	174.6	-70.5	-167	165.6	0	0	112.6	E436 E442 V443	E436-E440 PolarHBondContact O-N 2.55Å; E436-E440 VanDerWaalsContact O-N 3.14Å; E440-E442 VanDerWaalsContact C-N 3.35Å; E440-E442 PolarHBondContact O-N 3.25Å; E440-V443 PolarHBondContact O-N 3.07Å
441	E	43.2	Very low	47.6	Very low	165 Å²	165	127.4 Å²	127.4	77%	0.771	67%	0.668	S	S	*	*	H	α-helix	trans	-69.3	-27	175.3	-75.9	-164.4	165.2	0	0	113.5	E437 V443	E437-E441 PolarHBondContact O-N 3.14Å; E441-V443 VanDerWaalsContact C-N 3.34Å; E441-V443 PolarHBondContact O-N 3.37Å
442	E	39.9	Very low	45.9	Very low	177 Å²	177	124.7 Å²	124.7	83%	0.827	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-8.5	178.2	-79.2	-161.3	156.6	0	0	114.8	E438 E440	E438-E442 PolarHBondContact O-N 2.99Å; E440-E442 VanDerWaalsContact C-N 3.35Å; E440-E442 PolarHBondContact O-N 3.25Å
443	V	39	Very low	44.7	Very low	130 Å²	130	125.5 Å²	125.5	79%	0.788	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	2.2	-176	-167.7	0	0	0	0	113.5	A439 E440 E441	A439-V443 WeakPolarHBondContact O-CG2 3.27Å; E440-V443 PolarHBondContact O-N 3.07Å; E441-V443 VanDerWaalsContact C-N 3.34Å; E441-V443 PolarHBondContact O-N 3.37Å
444	A	40.1	Very low	43.9	Very low	153 Å²	153	134.7 Å²	134.7	100%	1.264	71%	0.71	S	S	*	*			trans	-93.2	0	169.7	0	0	0	0	0	112.2

Retrieved 444 of 444 residues in 90 ms (Link to these results)

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