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Tubulin alpha 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 (Q9NY65), UniProt , Accession K7EUD2, Species PONAB (Pongo abelii, Sumatran orangutan), Gene TUBA8, Length 449 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	66.7	Low	93	Very high	142 Å²	142	32.1 Å²	32.1	70%	0.7	15%	0.146	S	C	*	.				0	161.3	0	-72.7	165.2	-107.7	0	0	109	E3	M1-E3 HydrophobicContact CB-CG 4.02Å
2	R	83.6	Confident	93.2	Very high	103 Å²	103	31.5 Å²	31.5	39%	0.389	15%	0.151	S	C	.	.			trans	-107.5	60.9	-177.9	-67.6	-170.9	176.9	-176.3	-4.8	109.9	T51 Q133	R2-T51 WeakPolarHBondContact O-CG2 3.35Å; R2-Q133 HydrophobicContact CB-CG 4.17Å; R2-Q133 VanDerWaalsContact CG-NE2 3.28Å
3	E	93.4	Very high	93.5	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.019	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.4	-169.4	-67.7	150.7	115	0	0	111.4	M1 T51 R64 C129 S130 G131 L132 Q133	M1-E3 HydrophobicContact CB-CG 4.02Å; E3-T51 WeakPolarHBondContact CA-O 3.44Å; E3-R64 IonicContact OE1-CZ 3.67Å; E3-R64 VanDerWaalsContact OE1-CZ 3.22Å; E3-R64 IonicContact OE1-NH1 3.95Å; E3-R64 PolarHBondContact OE1-NH1 2.82Å; E3-R64 IonicContact OE1-NH2 2.66Å; E3-R64 PolarHBondContact OE1-NH2 3.24Å; E3-C129 HydrophobicContact CB-CB 4.11Å; E3-C129 WeakPolarHBondContact OE1-CA 3.48Å; E3-S130 PolarHBondContact OE1-N 3.22Å; E3-S130 WeakPolarHBondContact OE2-CA 3.36Å; E3-S130 WeakPolarHBondContact OE2-CB 3.37Å; E3-S130 PolarHBondContact OE2-N 3.06Å; E3-S130 PolarHBondContact OE2-OG 2.66Å; E3-G131 PolarHBondContact N-O 3.25Å; E3-G131 PolarHBondContact OE2-N 3.35Å; E3-L132 CarbonylContact O-C 3.43Å; E3-L132 WeakPolarHBondContact O-CA 3.3Å; E3-Q133 PolarHBondContact O-N 3.47Å
4	C	95.2	Very high	93.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.5	175.8	-60.2	0	0	0	0	110.2	T51 F52 R64	C4-T51 PolarHBondContact N-O 3.23Å; C4-F52 HydrophobicContact CB-CD1 4.19Å; C4-F52 HydrophobicContact CB-CE1 3.78Å; C4-R64 WeakPolarHBondContact O-CB 3.45Å
5	I	97.7	Very high	94.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.2	174.1	-66.4	165.8	0	0	0	108.5	V7 R64 L125 T126 L132 G134 F135 L136	I5-V7 HydrophobicContact CG2-CG2 4.13Å; I5-R64 WeakPolarHBondContact CA-O 3.29Å; I5-R64 HydrophobicContact CG1-CB 4.47Å; I5-L125 HydrophobicContact CD1-CB 3.64Å; I5-L125 HydrophobicContact CG1-CB 4.17Å; I5-L125 HydrophobicContact CG2-CD1 4.07Å; I5-T126 HydrophobicContact CD1-CG2 3.55Å; I5-L132 HydrophobicContact CB-CD1 4.45Å; I5-L132 HydrophobicContact CD1-CD1 3.78Å; I5-L132 HydrophobicContact CG1-CD1 3.87Å; I5-G134 PolarHBondContact N-O 2.88Å; I5-G134 VanDerWaalsContact N-O 3.15Å; I5-F135 HydrophobicContact CB-CD1 3.94Å; I5-F135 HydrophobicContact CB-CE1 4.18Å; I5-F135 HydrophobicContact CD1-CE1 4.06Å; I5-F135 HydrophobicContact CG2-CD1 4.22Å; I5-F135 HydrophobicContact CG2-CE1 4.45Å; I5-F135 CarbonylContact O-C 3.06Å; I5-F135 VanDerWaalsContact O-CA 3.29Å; I5-F135 WeakPolarHBondContact O-CA 3.47Å; I5-L136 PolarHBondContact O-N 2.72Å
6	S	98.3	Very high	94.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.5	173.2	-55.3	0	0	0	0	110.6	H8 R64 A65 V66 L136	S6-H8 VanDerWaalsContact CB-NE2 3.31Å; S6-H8 WeakPolarHBondContact CB-NE2 3.39Å; S6-R64 PolarHBondContact N-O 2.89Å; S6-A65 CarbonylContact O-C 3.58Å; S6-A65 WeakPolarHBondContact O-CA 3.37Å; S6-V66 PolarHBondContact O-N 3.33Å; S6-L136 CarbonylContact C-O 3.53Å; S6-L136 VanDerWaalsContact CA-O 3.31Å; S6-L136 WeakPolarHBondContact CA-O 3.49Å
7	V	98.7	Very high	94.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.6	177.2	-168.4	0	0	0	0	108.7	I5 V9 I68 I122 F135 L136 I137 F138 L153	I5-V7 HydrophobicContact CG2-CG2 4.13Å; V7-V9 HydrophobicContact CG1-CG2 3.88Å; V7-I68 HydrophobicContact CG1-CD1 3.62Å; V7-I122 HydrophobicContact CG1-CD1 4.49Å; V7-I122 HydrophobicContact CG2-CD1 4.11Å; V7-F135 HydrophobicContact CG2-CD1 4.42Å; V7-L136 PolarHBondContact N-O 3.05Å; V7-I137 CarbonylContact O-C 3.59Å; V7-I137 WeakPolarHBondContact O-CA 3.3Å; V7-F138 PolarHBondContact O-N 3.45Å; V7-L153 HydrophobicContact CG1-CD2 3.74Å
8	H	98.7	Very high	94.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.1	-175.5	-60.9	-79.4	0	0	0	109	S6 G13 V14 G17 W21 V66 M67 I68 F138	S6-H8 VanDerWaalsContact CB-NE2 3.31Å; S6-H8 WeakPolarHBondContact CB-NE2 3.39Å; H8-G13 PolarHBondContact ND1-O 3.3Å; H8-V14 HydrophobicContact CB-CG2 4.47Å; H8-G17 WeakPolarHBondContact CE1-CA 2.94Å; H8-G17 WeakPolarHBondContact ND1-CA 3.46Å; H8-W21 AromaticContact CD2-NE1 3.86Å; H8-W21 AromaticContact NE2-NE1 3.19Å; H8-W21 PolarHBondContact NE2-NE1 3.33Å; H8-W21 VanDerWaalsContact NE2-NE1 3.19Å; H8-V66 PolarHBondContact N-O 3.1Å; H8-M67 HydrophobicContact CB-CG 4.19Å; H8-I68 PolarHBondContact O-N 2.87Å; H8-F138 AromaticContact CE1-CD2 3.16Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.43Å; H8-F138 AromaticContact CE1-CE2 3.42Å; H8-F138 VanDerWaalsContact CE1-CE2 3.42Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.47Å; H8-F138 AromaticContact CE1-CG 3.54Å; H8-F138 AromaticContact CE1-CZ 3.99Å; H8-F138 WeakPolarHBondContact ND1-CB 3.47Å; H8-F138 AromaticContact ND1-CD2 3.33Å; H8-F138 VanDerWaalsContact ND1-CD2 3.33Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.34Å; H8-F138 AromaticContact ND1-CG 3.37Å; H8-F138 WeakPolarHBondContact ND1-CG 3.48Å; H8-F138 AromaticContact NE2-CD2 3.97Å
9	V	98.4	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.7	-168.5	-173.1	0	0	0	0	112	V7 G13 I68 F138 H139 T145 F149 T150 L153	V7-V9 HydrophobicContact CG1-CG2 3.88Å; V9-G13 PolarHBondContact O-N 3.49Å; V9-I68 WeakPolarHBondContact CA-O 3.31Å; V9-I68 HydrophobicContact CG2-CD1 4.33Å; V9-F138 PolarHBondContact N-O 3.34Å; V9-H139 HydrophobicContact CB-CB 4.36Å; V9-T145 HydrophobicContact CG1-CG2 3.94Å; V9-F149 HydrophobicContact CG1-CD1 3.71Å; V9-T150 WeakPolarHBondContact CB-OG1 3.29Å; V9-T150 VanDerWaalsContact CG1-OG1 3.25Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.33Å; V9-L153 HydrophobicContact CG2-CD2 4.25Å
10	G	97	Very high	94.9	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	70.2	177.4	-179.6	0	0	0	0	0	113.4	A12 G13 V14 I68 D69	G10-A12 PolarHBondContact O-N 3.08Å; G10-G13 PolarHBondContact O-N 3.07Å; G10-G13 VanDerWaalsContact O-N 3.16Å; G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 3.04Å; G10-I68 PolarHBondContact N-O 2.9Å; G10-D69 VanDerWaalsContact C-OD2 3.3Å; G10-D69 WeakPolarHBondContact CA-OD2 3.24Å
11	Q	95.3	Very high	95	Very high	101 Å²	101	23.6 Å²	23.6	47%	0.472	12%	0.116	S	C	.	.	H	α-helix	trans	-45.3	-55.7	-179.3	170	166.6	-2	0	0	114.3	Q15 D69 V74	Q11-Q15 WeakPolarHBondContact O-CB 3.06Å; Q11-Q15 VanDerWaalsContact O-CG 3.24Å; Q11-Q15 WeakPolarHBondContact O-CG 3.02Å; Q11-Q15 PolarHBondContact O-N 3.42Å; Q11-D69 PolarHBondContact N-OD2 2.85Å; Q11-V74 HydrophobicContact CB-CG1 4.02Å; Q11-V74 HydrophobicContact CG-CG1 3.86Å
12	A	95.5	Very high	96.4	Very high	25 Å²	25	19 Å²	19	21%	0.207	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-47.4	-178.2	0	0	0	0	0	111.7	G10 V14 Q15 I16 I171	G10-A12 PolarHBondContact O-N 3.08Å; A12-V14 PolarHBondContact O-N 3.25Å; A12-Q15 PolarHBondContact O-N 3.18Å; A12-I16 WeakPolarHBondContact O-CB 3.43Å; A12-I16 WeakPolarHBondContact O-CD1 3.38Å; A12-I16 WeakPolarHBondContact O-CG1 3.34Å; A12-I16 PolarHBondContact O-N 2.89Å; A12-I171 HydrophobicContact CB-CG1 4.19Å
13	G	97.7	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.3	-48.5	-179.9	0	0	0	0	0	112.3	H8 V9 G10 I16 G17 F138	H8-G13 PolarHBondContact ND1-O 3.3Å; V9-G13 PolarHBondContact O-N 3.49Å; G10-G13 PolarHBondContact O-N 3.07Å; G10-G13 VanDerWaalsContact O-N 3.16Å; G13-I16 PolarHBondContact O-N 3.35Å; G13-G17 PolarHBondContact O-N 2.96Å; G13-F138 VanDerWaalsContact CA-O 3.29Å; G13-F138 WeakPolarHBondContact CA-O 3.22Å
14	V	98.1	Very high	97.1	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-64.3	-43.1	179.8	174.7	0	0	0	0	111.7	H8 G10 A12 G17 N18 M67 V74 V75 V78	H8-V14 HydrophobicContact CB-CG2 4.47Å; G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 3.04Å; A12-V14 PolarHBondContact O-N 3.25Å; V14-G17 PolarHBondContact O-N 3.44Å; V14-N18 PolarHBondContact O-N 3.2Å; V14-M67 HydrophobicContact CG1-SD 4.42Å; V14-M67 HydrophobicContact CG2-CB 4.28Å; V14-V74 HydrophobicContact CB-CB 4.43Å; V14-V74 HydrophobicContact CB-CG2 3.98Å; V14-V74 HydrophobicContact CG1-CB 4.19Å; V14-V74 HydrophobicContact CG1-CG2 4.05Å; V14-V74 HydrophobicContact CG2-CG2 4.23Å; V14-V75 HydrophobicContact CG1-CG2 4.31Å; V14-V75 HydrophobicContact CG2-CG2 4.11Å; V14-V78 HydrophobicContact CG1-CG2 3.99Å
15	Q	97.1	Very high	97.2	Very high	45 Å²	45	13.9 Å²	13.9	21%	0.21	7%	0.074	C	C	.	.	H	α-helix	trans	-68.7	-38.8	-179.7	-70.9	-179.1	-26.7	0	0	112.7	Q11 A12 A19 V74 N228	Q11-Q15 WeakPolarHBondContact O-CB 3.06Å; Q11-Q15 VanDerWaalsContact O-CG 3.24Å; Q11-Q15 WeakPolarHBondContact O-CG 3.02Å; Q11-Q15 PolarHBondContact O-N 3.42Å; A12-Q15 PolarHBondContact O-N 3.18Å; Q15-A19 PolarHBondContact O-N 3.15Å; Q15-V74 HydrophobicContact CG-CG1 4.4Å; Q15-N228 WeakPolarHBondContact CB-ND2 3.22Å
16	I	97.9	Very high	97	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-45.3	171.2	-67.3	162.9	0	0	0	109.7	A12 G13 N18 A19 C20 F138 I171 N228 I231	A12-I16 WeakPolarHBondContact O-CB 3.43Å; A12-I16 WeakPolarHBondContact O-CD1 3.38Å; A12-I16 WeakPolarHBondContact O-CG1 3.34Å; A12-I16 PolarHBondContact O-N 2.89Å; G13-I16 PolarHBondContact O-N 3.35Å; I16-N18 VanDerWaalsContact C-N 3.34Å; I16-N18 PolarHBondContact O-N 2.87Å; I16-A19 PolarHBondContact O-N 2.97Å; I16-C20 PolarHBondContact O-N 3.27Å; I16-C20 PolarHBondContact O-SG 3.28Å; I16-F138 HydrophobicContact CG2-CD1 3.79Å; I16-F138 HydrophobicContact CG2-CE1 4.33Å; I16-I171 HydrophobicContact CD1-CD1 3.6Å; I16-I171 HydrophobicContact CD1-CG1 3.65Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.28Å; I16-I231 HydrophobicContact CD1-CD1 4.18Å; I16-I231 HydrophobicContact CG1-CD1 4.23Å; I16-I231 HydrophobicContact CG2-CG2 3.72Å
17	G	97.4	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.2	-46.7	178.1	0	0	0	0	0	112.7	H8 G13 V14 A19 C20 W21	H8-G17 WeakPolarHBondContact CE1-CA 2.94Å; H8-G17 WeakPolarHBondContact ND1-CA 3.46Å; G13-G17 PolarHBondContact O-N 2.96Å; V14-G17 PolarHBondContact O-N 3.44Å; G17-A19 VanDerWaalsContact C-N 3.31Å; G17-A19 PolarHBondContact O-N 3.29Å; G17-C20 PolarHBondContact O-N 3.15Å; G17-C20 VanDerWaalsContact O-N 3.13Å; G17-W21 PolarHBondContact O-N 3.47Å
18	N	96.3	Very high	96.5	Very high	57 Å²	57	18 Å²	18	31%	0.305	10%	0.095	S	C	.	.	H	α-helix	trans	-58.5	-42.5	177.9	-166.9	40.3	0	0	0	112.1	V14 I16 E22 V78	V14-N18 PolarHBondContact O-N 3.2Å; I16-N18 VanDerWaalsContact C-N 3.34Å; I16-N18 PolarHBondContact O-N 2.87Å; N18-E22 PolarHBondContact O-N 2.88Å; N18-E22 VanDerWaalsContact O-N 3.09Å; N18-V78 HydrophobicContact CB-CG2 4.37Å
19	A	96.8	Very high	96.1	Very high	11 Å²	11	19.6 Å²	19.6	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-67	-38.8	174.9	0	0	0	0	0	112.7	Q15 I16 G17 L23 N228	Q15-A19 PolarHBondContact O-N 3.15Å; I16-A19 PolarHBondContact O-N 2.97Å; G17-A19 VanDerWaalsContact C-N 3.31Å; G17-A19 PolarHBondContact O-N 3.29Å; A19-L23 PolarHBondContact O-N 3.01Å; A19-L23 VanDerWaalsContact O-N 3.16Å; A19-N228 HydrophobicContact CB-CB 3.93Å
20	C	97.6	Very high	95.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-46	176.6	-66.2	0	0	0	0	111.9	I16 G17 L23 F24	I16-C20 PolarHBondContact O-N 3.27Å; I16-C20 PolarHBondContact O-SG 3.28Å; G17-C20 PolarHBondContact O-N 3.15Å; G17-C20 VanDerWaalsContact O-N 3.13Å; C20-L23 PolarHBondContact O-N 3.33Å; C20-F24 HydrophobicContact CB-CE2 4Å; C20-F24 HydrophobicContact CB-CZ 4.11Å; C20-F24 WeakPolarHBondContact O-CD2 3.37Å; C20-F24 WeakPolarHBondContact O-CG 3.48Å; C20-F24 PolarHBondContact O-N 3.49Å
21	W	97.5	Very high	95.8	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-70.3	-32.9	-179.4	-70.2	112.5	0	0	0	112.8	H8 G17 L23 F24 C25 F52 F53 P63 A65 L86 F87	H8-W21 AromaticContact CD2-NE1 3.86Å; H8-W21 AromaticContact NE2-NE1 3.19Å; H8-W21 PolarHBondContact NE2-NE1 3.33Å; H8-W21 VanDerWaalsContact NE2-NE1 3.19Å; G17-W21 PolarHBondContact O-N 3.47Å; W21-L23 VanDerWaalsContact C-N 3.33Å; W21-F24 HydrophobicContact CD2-CD2 4.11Å; W21-F24 HydrophobicContact CE3-CB 4.4Å; W21-F24 AromaticContact CE3-CD2 3.73Å; W21-F24 HydrophobicContact CE3-CD2 3.73Å; W21-F24 HydrophobicContact CH2-CD2 4.43Å; W21-F24 AromaticContact CZ3-CD2 3.92Å; W21-F24 HydrophobicContact CZ3-CD2 3.92Å; W21-F24 PolarHBondContact O-N 2.58Å; W21-C25 WeakPolarHBondContact O-CB 3.31Å; W21-C25 PolarHBondContact O-N 2.82Å; W21-C25 PolarHBondContact O-SG 2.79Å; W21-F52 HydrophobicContact CH2-CB 3.97Å; W21-F52 HydrophobicContact CH2-CD2 4.43Å; W21-F52 HydrophobicContact CH2-CG 4.39Å; W21-F52 HydrophobicContact CZ3-CB 4.01Å; W21-F53 HydrophobicContact CE3-CE1 4.05Å; W21-F53 HydrophobicContact CE3-CE2 4.45Å; W21-F53 AromaticContact CE3-CZ 3.76Å; W21-F53 HydrophobicContact CE3-CZ 3.76Å; W21-F53 AromaticContact CZ3-CE1 3.99Å; W21-F53 HydrophobicContact CZ3-CE1 3.99Å; W21-F53 HydrophobicContact CZ3-CE2 4Å; W21-F53 AromaticContact CZ3-CZ 3.7Å; W21-F53 HydrophobicContact CZ3-CZ 3.7Å; W21-P63 HydrophobicContact CD2-CB 3.95Å; W21-P63 HydrophobicContact CD2-CG 4.09Å; W21-P63 HydrophobicContact CE3-CB 3.75Å; W21-P63 HydrophobicContact CE3-CG 3.77Å; W21-P63 HydrophobicContact CH2-CB 3.71Å; W21-P63 HydrophobicContact CZ2-CB 3.9Å; W21-P63 HydrophobicContact CZ3-CB 3.61Å; W21-P63 HydrophobicContact CZ3-CG 4.03Å; W21-A65 HydrophobicContact CH2-CB 4.45Å; W21-A65 HydrophobicContact CZ2-CB 3.53Å; W21-L86 HydrophobicContact CB-CD2 4.32Å; W21-F87 HydrophobicContact CB-CE1 4.31Å; W21-F87 HydrophobicContact CB-CZ 3.71Å; W21-F87 AromaticContact CD1-CE1 3.56Å; W21-F87 AromaticContact CD1-CZ 3.58Å; W21-F87 HydrophobicContact CD2-CE1 4.23Å; W21-F87 AromaticContact CG-CE1 3.78Å; W21-F87 HydrophobicContact CG-CE1 3.78Å; W21-F87 AromaticContact CG-CZ 3.66Å; W21-F87 HydrophobicContact CG-CZ 3.66Å; W21-F87 AromaticContact NE1-CE1 3.93Å
22	E	96.8	Very high	95.7	Very high	45 Å²	45	20.3 Å²	20.3	21%	0.21	12%	0.119	C	C	.	.	H	α-helix	trans	-55	-50.8	167	168.3	172.2	-125.3	0	0	110.4	N18 C25 L26 Y83 V363	N18-E22 PolarHBondContact O-N 2.88Å; N18-E22 VanDerWaalsContact O-N 3.09Å; E22-C25 PolarHBondContact O-N 3.5Å; E22-L26 HydrophobicContact CG-CD1 4.37Å; E22-L26 WeakPolarHBondContact O-CG 3.35Å; E22-L26 PolarHBondContact O-N 2.89Å; E22-L26 VanDerWaalsContact O-N 3.16Å; E22-Y83 HydrophobicContact CB-CD2 4.48Å; E22-Y83 HydrophobicContact CB-CE2 3.69Å; E22-Y83 HydrophobicContact CG-CE2 3.92Å; E22-Y83 WeakPolarHBondContact CG-OH 3.22Å; E22-V363 HydrophobicContact CG-CG1 4.32Å; E22-V363 HydrophobicContact CG-CG2 4.11Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.44Å
23	L	96.2	Very high	95.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-45.4	179.9	-178.9	60.4	0	0	0	112.5	A19 C20 W21 C25 L26 E27 S232 T361	A19-L23 PolarHBondContact O-N 3.01Å; A19-L23 VanDerWaalsContact O-N 3.16Å; C20-L23 PolarHBondContact O-N 3.33Å; W21-L23 VanDerWaalsContact C-N 3.33Å; L23-C25 VanDerWaalsContact C-N 3.3Å; L23-C25 PolarHBondContact O-N 2.81Å; L23-L26 WeakPolarHBondContact O-CB 3.46Å; L23-L26 PolarHBondContact O-N 2.94Å; L23-L26 VanDerWaalsContact O-N 3.13Å; L23-E27 HydrophobicContact CD1-CG 4.25Å; L23-E27 HydrophobicContact CG-CG 4.37Å; L23-E27 WeakPolarHBondContact O-CG 3.36Å; L23-E27 PolarHBondContact O-N 2.72Å; L23-S232 WeakPolarHBondContact CD2-O 3.33Å; L23-T361 HydrophobicContact CD1-CG2 4.21Å; L23-T361 VanDerWaalsContact CD1-O 3.25Å; L23-T361 WeakPolarHBondContact CD1-O 3.5Å
24	F	95.9	Very high	95.5	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-37.6	179.2	-60.9	-24.1	0	0	0	112.1	C20 W21 L26 E27 H28 F52 F53 V235	C20-F24 HydrophobicContact CB-CE2 4Å; C20-F24 HydrophobicContact CB-CZ 4.11Å; C20-F24 WeakPolarHBondContact O-CD2 3.37Å; C20-F24 WeakPolarHBondContact O-CG 3.48Å; C20-F24 PolarHBondContact O-N 3.49Å; W21-F24 HydrophobicContact CD2-CD2 4.11Å; W21-F24 HydrophobicContact CE3-CB 4.4Å; W21-F24 AromaticContact CE3-CD2 3.73Å; W21-F24 HydrophobicContact CE3-CD2 3.73Å; W21-F24 HydrophobicContact CH2-CD2 4.43Å; W21-F24 AromaticContact CZ3-CD2 3.92Å; W21-F24 HydrophobicContact CZ3-CD2 3.92Å; W21-F24 PolarHBondContact O-N 2.58Å; F24-L26 VanDerWaalsContact C-N 3.34Å; F24-E27 PolarHBondContact O-N 3.5Å; F24-H28 PolarHBondContact O-CD2 2.87Å; F24-H28 VanDerWaalsContact O-CD2 3.23Å; F24-H28 PolarHBondContact O-N 3.44Å; F24-F52 AromaticContact CD2-CD2 3.79Å; F24-F52 HydrophobicContact CD2-CD2 3.79Å; F24-F52 HydrophobicContact CD2-CE2 4.13Å; F24-F52 HydrophobicContact CE1-CE2 4.34Å; F24-F52 AromaticContact CE2-CD2 3.74Å; F24-F52 HydrophobicContact CE2-CD2 3.74Å; F24-F52 AromaticContact CE2-CE2 3.62Å; F24-F52 HydrophobicContact CE2-CE2 3.62Å; F24-F52 HydrophobicContact CG-CD2 4.35Å; F24-F52 HydrophobicContact CZ-CD2 4.26Å; F24-F52 AromaticContact CZ-CE2 3.75Å; F24-F52 HydrophobicContact CZ-CE2 3.75Å; F24-F53 HydrophobicContact CB-CE2 4.28Å; F24-F53 HydrophobicContact CB-CZ 4.23Å; F24-V235 HydrophobicContact CZ-CG1 3.93Å
25	C	95.6	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-46.2	173.3	-73.7	0	0	0	0	111.2	W21 E22 L23 E27 H28 G29 I30 Y83 L86	W21-C25 WeakPolarHBondContact O-CB 3.31Å; W21-C25 PolarHBondContact O-N 2.82Å; W21-C25 PolarHBondContact O-SG 2.79Å; E22-C25 PolarHBondContact O-N 3.5Å; L23-C25 VanDerWaalsContact C-N 3.3Å; L23-C25 PolarHBondContact O-N 2.81Å; C25-E27 PolarHBondContact O-N 3.25Å; C25-H28 PolarHBondContact O-N 3.49Å; C25-G29 CarbonylContact O-C 3.58Å; C25-G29 WeakPolarHBondContact O-CA 3.39Å; C25-G29 PolarHBondContact O-N 2.91Å; C25-I30 HydrophobicContact CB-CB 4.41Å; C25-I30 WeakPolarHBondContact CB-O 3.44Å; C25-I30 PolarHBondContact O-N 2.72Å; C25-Y83 HydrophobicContact CB-CE1 4.02Å; C25-L86 VanDerWaalsContact SG-CD2 3.51Å
26	L	94.6	Very high	94.8	Very high	63 Å²	63	23.6 Å²	23.6	33%	0.33	13%	0.134	S	C	.	.	H	α-helix	trans	-64.2	-39.3	177.4	-66.7	169.9	0	0	0	112.6	E22 L23 F24 G29 T361 V363	E22-L26 HydrophobicContact CG-CD1 4.37Å; E22-L26 WeakPolarHBondContact O-CG 3.35Å; E22-L26 PolarHBondContact O-N 2.89Å; E22-L26 VanDerWaalsContact O-N 3.16Å; L23-L26 WeakPolarHBondContact O-CB 3.46Å; L23-L26 PolarHBondContact O-N 2.94Å; L23-L26 VanDerWaalsContact O-N 3.13Å; F24-L26 VanDerWaalsContact C-N 3.34Å; L26-G29 PolarHBondContact O-N 3.36Å; L26-T361 HydrophobicContact CB-CG2 3.83Å; L26-V363 HydrophobicContact CD1-CB 4.3Å; L26-V363 HydrophobicContact CD1-CG1 4.41Å; L26-V363 HydrophobicContact CD1-CG2 4.05Å
27	E	93.6	Very high	94	Very high	14 Å²	14	27 Å²	27	7%	0.065	15%	0.152	C	C	.	.	H	α-helix	trans	-66.6	-36.5	179.2	-73.5	-176.8	154.5	0	0	113	L23 F24 C25 S236 R243 F244 R320 T361	L23-E27 HydrophobicContact CD1-CG 4.25Å; L23-E27 HydrophobicContact CG-CG 4.37Å; L23-E27 WeakPolarHBondContact O-CG 3.36Å; L23-E27 PolarHBondContact O-N 2.72Å; F24-E27 PolarHBondContact O-N 3.5Å; C25-E27 PolarHBondContact O-N 3.25Å; E27-S236 PolarHBondContact OE1-OG 2.8Å; E27-S236 PolarHBondContact OE2-OG 3.01Å; E27-S236 VanDerWaalsContact OE2-OG 3.14Å; E27-R243 IonicContact OE2-CZ 3.98Å; E27-R243 IonicContact OE2-NH1 2.82Å; E27-R243 PolarHBondContact OE2-NH1 2.92Å; E27-R243 IonicContact OE2-NH2 3.21Å; E27-R243 PolarHBondContact OE2-NH2 3.03Å; E27-F244 HydrophobicContact CB-CE2 4.46Å; E27-F244 HydrophobicContact CB-CZ 3.93Å; E27-R320 IonicContact OE1-NH2 3.86Å; E27-T361 HydrophobicContact CG-CG2 4.28Å; E27-T361 WeakPolarHBondContact CG-OG1 3.39Å
28	H	92.3	Very high	92.7	Very high	10 Å²	10	31 Å²	31	5%	0.046	18%	0.184	C	C	.	.	H	α-helix	trans	-93.5	-7.5	178.8	-67.8	-69.7	0	0	0	113.4	F24 C25 I30 F36 N44 F49 R243 F244	F24-H28 PolarHBondContact O-CD2 2.87Å; F24-H28 VanDerWaalsContact O-CD2 3.23Å; F24-H28 PolarHBondContact O-N 3.44Å; C25-H28 PolarHBondContact O-N 3.49Å; H28-I30 VanDerWaalsContact C-N 3.34Å; H28-I30 HydrophobicContact CB-CD1 3.96Å; H28-I30 HydrophobicContact CB-CG1 4.06Å; H28-F36 WeakPolarHBondContact O-CE1 3.48Å; H28-N44 PolarHBondContact O-ND2 3.13Å; H28-F49 HydrophobicContact CB-CB 4.24Å; H28-R243 PolarHBondContact NE2-NH1 2.68Å; H28-R243 VanDerWaalsContact NE2-NH1 3.12Å; H28-F244 AromaticContact CE1-CE1 3.48Å; H28-F244 VanDerWaalsContact CE1-CE1 3.48Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.21Å; H28-F244 AromaticContact CE1-CZ 3.46Å; H28-F244 VanDerWaalsContact CE1-CZ 3.46Å; H28-F244 WeakPolarHBondContact CE1-CZ 2.97Å; H28-F244 AromaticContact ND1-CE1 3.77Å; H28-F244 AromaticContact ND1-CZ 3.94Å; H28-F244 AromaticContact NE2-CZ 3.79Å
29	G	91.3	Very high	91	Very high	33 Å²	33	35.8 Å²	35.8	34%	0.34	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	23.4	-175.9	0	0	0	0	0	114	C25 L26 F36	C25-G29 CarbonylContact O-C 3.58Å; C25-G29 WeakPolarHBondContact O-CA 3.39Å; C25-G29 PolarHBondContact O-N 2.91Å; L26-G29 PolarHBondContact O-N 3.36Å; G29-F36 WeakPolarHBondContact O-CD1 3.44Å
30	I	93.3	Very high	89.2	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.041	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-84.7	130.4	176.1	-61.6	170.6	0	0	0	108.4	C25 H28 F36 F49 F53 H61 L86	C25-I30 HydrophobicContact CB-CB 4.41Å; C25-I30 WeakPolarHBondContact CB-O 3.44Å; C25-I30 PolarHBondContact O-N 2.72Å; H28-I30 VanDerWaalsContact C-N 3.34Å; H28-I30 HydrophobicContact CB-CD1 3.96Å; H28-I30 HydrophobicContact CB-CG1 4.06Å; I30-F36 HydrophobicContact CD1-CZ 4.42Å; I30-F36 HydrophobicContact CG1-CD1 4.29Å; I30-F36 HydrophobicContact CG1-CE1 3.6Å; I30-F36 HydrophobicContact CG1-CZ 3.85Å; I30-F49 HydrophobicContact CD1-CB 4.38Å; I30-F53 HydrophobicContact CD1-CD1 3.96Å; I30-F53 HydrophobicContact CD1-CD2 3.85Å; I30-F53 HydrophobicContact CD1-CE1 3.95Å; I30-F53 HydrophobicContact CD1-CE2 3.86Å; I30-F53 HydrophobicContact CD1-CG 3.91Å; I30-F53 HydrophobicContact CD1-CZ 3.91Å; I30-H61 HydrophobicContact CD1-CB 4.06Å; I30-H61 HydrophobicContact CG2-CB 4.48Å; I30-L86 HydrophobicContact CG2-CD1 4.36Å
31	Q	94.4	Very high	87.2	Confident	83 Å²	83	39.8 Å²	39.8	39%	0.388	23%	0.234	S	C	.	.			trans	-74.9	164.5	176.6	-62.3	-172.2	-6.5	0	0	111.2	D33 G34 T35	Q31-D33 WeakPolarHBondContact CB-OD1 3.25Å; Q31-D33 PolarHBondContact O-N 3.19Å; Q31-G34 PolarHBondContact O-N 2.98Å; Q31-T35 WeakPolarHBondContact CB-O 3.49Å; Q31-T35 WeakPolarHBondContact CG-O 3.27Å; Q31-T35 PolarHBondContact N-O 3.46Å
32	A	94.6	Very high	84.9	Confident	28 Å²	28	49 Å²	49	23%	0.231	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.9	-177.8	0	0	0	0	0	114.6	T82 Y83 L86	A32-T82 HydrophobicContact CB-CG2 4.17Å; A32-Y83 HydrophobicContact CB-CD1 3.64Å; A32-Y83 HydrophobicContact CB-CE1 3.69Å; A32-Y83 HydrophobicContact CB-CG 4.26Å; A32-L86 PolarHBondContact O-N 2.68Å
33	D	93.8	Very high	82.8	Confident	49 Å²	49	53.3 Å²	53.3	26%	0.262	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.8	174.1	71.1	-7.6	0	0	0	113.9	Q31 T35 K60 Q85	Q31-D33 WeakPolarHBondContact CB-OD1 3.25Å; Q31-D33 PolarHBondContact O-N 3.19Å; D33-T35 WeakPolarHBondContact OD1-CB 3.25Å; D33-T35 PolarHBondContact OD1-N 3.35Å; D33-T35 PolarHBondContact OD1-OG1 3.43Å; D33-T35 PolarHBondContact OD2-OG1 2.98Å; D33-K60 WeakPolarHBondContact O-CD 3.37Å; D33-K60 WeakPolarHBondContact O-CE 3.34Å; D33-K60 PolarHBondContact O-NZ 2.86Å; D33-Q85 HydrophobicContact CB-CB 4.2Å
34	G	93.7	Very high	80.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	85.6	10	-178.4	0	0	0	0	0	114.8	Q31 H61	Q31-G34 PolarHBondContact O-N 2.98Å; G34-H61 WeakPolarHBondContact CA-O 3.15Å; G34-H61 WeakPolarHBondContact O-CB 3.26Å; G34-H61 PolarHBondContact O-N 3.45Å; G34-H61 PolarHBondContact O-ND1 2.75Å
35	T	93	Very high	79.1	Confident	46 Å²	46	64.2 Å²	64.2	28%	0.282	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-100.8	160.8	177.8	68.9	0	0	0	0	112.2	Q31 D33	Q31-T35 WeakPolarHBondContact CB-O 3.49Å; Q31-T35 WeakPolarHBondContact CG-O 3.27Å; Q31-T35 PolarHBondContact N-O 3.46Å; D33-T35 WeakPolarHBondContact OD1-CB 3.25Å; D33-T35 PolarHBondContact OD1-N 3.35Å; D33-T35 PolarHBondContact OD1-OG1 3.43Å; D33-T35 PolarHBondContact OD2-OG1 2.98Å
36	F	89	Confident	77.9	Confident	44 Å²	44	67.7 Å²	67.7	19%	0.193	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-90.1	148.9	168.4	-72.8	-69.2	0	0	0	110.5	H28 G29 I30 A38 F49 H61	H28-F36 WeakPolarHBondContact O-CE1 3.48Å; G29-F36 WeakPolarHBondContact O-CD1 3.44Å; I30-F36 HydrophobicContact CD1-CZ 4.42Å; I30-F36 HydrophobicContact CG1-CD1 4.29Å; I30-F36 HydrophobicContact CG1-CE1 3.6Å; I30-F36 HydrophobicContact CG1-CZ 3.85Å; F36-A38 PolarHBondContact O-N 2.99Å; F36-F49 HydrophobicContact CE2-CE1 4.38Å; F36-F49 HydrophobicContact CE2-CZ 4.41Å; F36-F49 HydrophobicContact CZ-CD1 4.08Å; F36-F49 HydrophobicContact CZ-CE1 4.08Å; F36-F49 HydrophobicContact CZ-CG 4.47Å; F36-F49 HydrophobicContact CZ-CZ 4.49Å; F36-H61 AromaticContact CD2-CE1 3.53Å; F36-H61 AromaticContact CD2-ND1 3.86Å; F36-H61 AromaticContact CE2-CE1 3.22Å; F36-H61 WeakPolarHBondContact CE2-CE1 3.2Å; F36-H61 AromaticContact CE2-ND1 3.62Å; F36-H61 AromaticContact CE2-NE2 3.51Å
37	D	80.4	Confident	77.2	Confident	75 Å²	75	70.1 Å²	70.1	40%	0.401	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61.2	138	165.6	-169.1	-19.8	0	0	0	109.5	Q39 A40 S41	D37-Q39 PolarHBondContact O-N 2.82Å; D37-Q39 PolarHBondContact OD1-N 3.47Å; D37-A40 HydrophobicContact CB-CB 4.02Å; D37-A40 PolarHBondContact O-N 2.74Å; D37-S41 PolarHBondContact O-N 3.27Å
38	A	69.7	Low	76.8	Confident	82 Å²	82	70.2 Å²	70.2	68%	0.678	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.7	177.5	0	0	0	0	0	113.2	F36 S41	F36-A38 PolarHBondContact O-N 2.99Å; A38-S41 PolarHBondContact O-OG 2.76Å
39	Q	61.7	Low	76.6	Confident	159 Å²	159	70.5 Å²	70.5	74%	0.743	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-29.5	172.4	-64.3	-172.9	6.8	0	0	113.4	D37	D37-Q39 PolarHBondContact O-N 2.82Å; D37-Q39 PolarHBondContact OD1-N 3.47Å
40	A	58.5	Low	76.6	Confident	25 Å²	25	70.3 Å²	70.3	21%	0.207	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-28.5	-176.5	0	0	0	0	0	113.2	D37 K42 I43 N44	D37-A40 HydrophobicContact CB-CB 4.02Å; D37-A40 PolarHBondContact O-N 2.74Å; A40-K42 PolarHBondContact O-N 2.88Å; A40-K42 VanDerWaalsContact O-N 3.08Å; A40-I43 PolarHBondContact O-N 2.79Å; A40-N44 PolarHBondContact O-N 3.46Å
41	S	55.6	Low	76.5	Confident	69 Å²	69	70.2 Å²	70.2	48%	0.483	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.3	179.2	58.8	0	0	0	0	114.4	D37 A38	D37-S41 PolarHBondContact O-N 3.27Å; A38-S41 PolarHBondContact O-OG 2.76Å
42	K	49.1	Very low	76.5	Confident	194 Å²	194	66.3 Å²	66.3	84%	0.843	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.4	173.8	-72.7	-175.9	177.7	178.2	0	114.3	A40	A40-K42 PolarHBondContact O-N 2.88Å; A40-K42 VanDerWaalsContact O-N 3.08Å
43	I	51.6	Low	76.6	Confident	136 Å²	136	65 Å²	65	70%	0.697	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-33.7	-174.3	-60.1	175.7	0	0	0	110.6	A40 D45	A40-I43 PolarHBondContact O-N 2.79Å; I43-D45 PolarHBondContact O-N 3.45Å
44	N	54.3	Low	76.6	Confident	62 Å²	62	64 Å²	64	33%	0.332	35%	0.35	S	S	.	.			trans	-92	76	-179.9	-71	-4.3	0	0	0	111.3	H28 A40 D46	H28-N44 PolarHBondContact O-ND2 3.13Å; A40-N44 PolarHBondContact O-N 3.46Å; N44-D46 PolarHBondContact O-N 3.13Å
45	D	59.8	Low	76.4	Confident	169 Å²	169	70.2 Å²	70.2	90%	0.904	38%	0.38	S	S	*	.			trans	-79.3	16.6	162.4	-143.5	21.4	0	0	0	111	I43	I43-D45 PolarHBondContact O-N 3.45Å
46	D	70.5	Confident	76.3	Confident	72 Å²	72	70.5 Å²	70.5	39%	0.385	38%	0.381	S	S	.	.			trans	-101.8	108	-175.4	-178.5	17.2	0	0	0	110.1	N44 S48 F49	N44-D46 PolarHBondContact O-N 3.13Å; D46-S48 VanDerWaalsContact CG-CB 3.46Å; D46-S48 PolarHBondContact O-N 3.38Å; D46-S48 VanDerWaalsContact O-N 3.09Å; D46-S48 WeakPolarHBondContact OD1-CB 3.49Å; D46-S48 PolarHBondContact OD1-N 3.19Å; D46-S48 PolarHBondContact OD1-OG 3.34Å; D46-S48 VanDerWaalsContact OD2-CB 3.25Å; D46-S48 WeakPolarHBondContact OD2-CB 3.23Å; D46-S48 PolarHBondContact OD2-OG 2.89Å; D46-F49 WeakPolarHBondContact O-CD1 3.45Å; D46-F49 WeakPolarHBondContact O-CE1 3.39Å
47	D	81.5	Confident	76.1	Confident	115 Å²	115	72.7 Å²	72.7	62%	0.615	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-70.5	7	175.9	-74.5	-27	0	0	0	113.2	F49 T50	D47-F49 PolarHBondContact O-N 3.09Å; D47-F49 VanDerWaalsContact O-N 3.12Å; D47-T50 HydrophobicContact CB-CG2 4.2Å; D47-T50 VanDerWaalsContact O-CB 3.26Å; D47-T50 WeakPolarHBondContact O-CB 3.45Å; D47-T50 WeakPolarHBondContact O-CG2 3.29Å; D47-T50 PolarHBondContact O-N 2.85Å; D47-T50 PolarHBondContact O-OG1 2.98Å
48	S	84.4	Confident	76.4	Confident	16 Å²	16	76.9 Å²	76.9	11%	0.112	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-62.2	-22.6	-173.3	69.8	0	0	0	0	115.5	D46 T50 T51 R243	D46-S48 VanDerWaalsContact CG-CB 3.46Å; D46-S48 PolarHBondContact O-N 3.38Å; D46-S48 VanDerWaalsContact O-N 3.09Å; D46-S48 WeakPolarHBondContact OD1-CB 3.49Å; D46-S48 PolarHBondContact OD1-N 3.19Å; D46-S48 PolarHBondContact OD1-OG 3.34Å; D46-S48 VanDerWaalsContact OD2-CB 3.25Å; D46-S48 WeakPolarHBondContact OD2-CB 3.23Å; D46-S48 PolarHBondContact OD2-OG 2.89Å; S48-T50 PolarHBondContact O-N 3.16Å; S48-T51 PolarHBondContact O-OG1 3.48Å; S48-R243 WeakPolarHBondContact CB-O 3.15Å; S48-R243 PolarHBondContact OG-O 2.99Å
49	F	87.7	Confident	77.2	Confident	16 Å²	16	74.6 Å²	74.6	7%	0.07	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-64.8	-24.9	172	60.5	-95.1	0	0	0	112.6	H28 I30 F36 D46 D47 T51 F52 F53 H61	H28-F49 HydrophobicContact CB-CB 4.24Å; I30-F49 HydrophobicContact CD1-CB 4.38Å; F36-F49 HydrophobicContact CE2-CE1 4.38Å; F36-F49 HydrophobicContact CE2-CZ 4.41Å; F36-F49 HydrophobicContact CZ-CD1 4.08Å; F36-F49 HydrophobicContact CZ-CE1 4.08Å; F36-F49 HydrophobicContact CZ-CG 4.47Å; F36-F49 HydrophobicContact CZ-CZ 4.49Å; D46-F49 WeakPolarHBondContact O-CD1 3.45Å; D46-F49 WeakPolarHBondContact O-CE1 3.39Å; D47-F49 PolarHBondContact O-N 3.09Å; D47-F49 VanDerWaalsContact O-N 3.12Å; F49-T51 PolarHBondContact O-N 3.12Å; F49-T51 VanDerWaalsContact O-N 3.08Å; F49-F52 PolarHBondContact O-N 3.49Å; F49-F53 HydrophobicContact CB-CD2 4.19Å; F49-F53 HydrophobicContact CD2-CB 4.4Å; F49-F53 WeakPolarHBondContact O-CD2 3.19Å; F49-F53 PolarHBondContact O-N 2.64Å; F49-H61 AromaticContact CD2-CD2 3.64Å; F49-H61 AromaticContact CE2-CD2 3.31Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.43Å; F49-H61 AromaticContact CE2-NE2 3.45Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.31Å; F49-H61 AromaticContact CZ-NE2 3.83Å
50	T	91.3	Very high	78.6	Confident	28 Å²	28	69.9 Å²	69.9	17%	0.172	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-61	-22.6	-176.2	61.2	0	0	0	0	113.5	D47 S48 F52 F53 R64	D47-T50 HydrophobicContact CB-CG2 4.2Å; D47-T50 VanDerWaalsContact O-CB 3.26Å; D47-T50 WeakPolarHBondContact O-CB 3.45Å; D47-T50 WeakPolarHBondContact O-CG2 3.29Å; D47-T50 PolarHBondContact O-N 2.85Å; D47-T50 PolarHBondContact O-OG1 2.98Å; S48-T50 PolarHBondContact O-N 3.16Å; T50-F52 VanDerWaalsContact C-N 3.26Å; T50-F52 PolarHBondContact O-N 3.42Å; T50-F53 CarbonylContact C-O 3.45Å; T50-F53 WeakPolarHBondContact CA-O 3.44Å; T50-R64 PolarHBondContact O-NE 3.16Å; T50-R64 VanDerWaalsContact O-NE 3.15Å; T50-R64 PolarHBondContact O-NH2 3.43Å
51	T	92.2	Very high	80.3	Confident	7 Å²	7	69 Å²	69	4%	0.043	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-53.1	-44.4	171.4	-66.1	0	0	0	0	111.2	R2 E3 C4 S48 F49 L242 R243	R2-T51 WeakPolarHBondContact O-CG2 3.35Å; E3-T51 WeakPolarHBondContact CA-O 3.44Å; C4-T51 PolarHBondContact N-O 3.23Å; S48-T51 PolarHBondContact O-OG1 3.48Å; F49-T51 PolarHBondContact O-N 3.12Å; F49-T51 VanDerWaalsContact O-N 3.08Å; T51-L242 HydrophobicContact CG2-CB 3.9Å; T51-L242 PolarHBondContact OG1-O 3.05Å; T51-R243 HydrophobicContact CG2-CG 4Å
52	F	94.8	Very high	82.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-17.4	-174.2	-77.3	5.9	0	0	0	114.2	C4 W21 F24 F49 T50 R64 L136 T239 R243	C4-F52 HydrophobicContact CB-CD1 4.19Å; C4-F52 HydrophobicContact CB-CE1 3.78Å; W21-F52 HydrophobicContact CH2-CB 3.97Å; W21-F52 HydrophobicContact CH2-CD2 4.43Å; W21-F52 HydrophobicContact CH2-CG 4.39Å; W21-F52 HydrophobicContact CZ3-CB 4.01Å; F24-F52 AromaticContact CD2-CD2 3.79Å; F24-F52 HydrophobicContact CD2-CD2 3.79Å; F24-F52 HydrophobicContact CD2-CE2 4.13Å; F24-F52 HydrophobicContact CE1-CE2 4.34Å; F24-F52 AromaticContact CE2-CD2 3.74Å; F24-F52 HydrophobicContact CE2-CD2 3.74Å; F24-F52 AromaticContact CE2-CE2 3.62Å; F24-F52 HydrophobicContact CE2-CE2 3.62Å; F24-F52 HydrophobicContact CG-CD2 4.35Å; F24-F52 HydrophobicContact CZ-CD2 4.26Å; F24-F52 AromaticContact CZ-CE2 3.75Å; F24-F52 HydrophobicContact CZ-CE2 3.75Å; F49-F52 PolarHBondContact O-N 3.49Å; T50-F52 VanDerWaalsContact C-N 3.26Å; T50-F52 PolarHBondContact O-N 3.42Å; F52-R64 WeakPolarHBondContact O-CB 3.36Å; F52-R64 PolarHBondContact O-N 3.04Å; F52-L136 HydrophobicContact CE1-CD1 4.22Å; F52-L136 HydrophobicContact CZ-CD1 3.82Å; F52-T239 HydrophobicContact CE2-CG2 4.18Å; F52-T239 HydrophobicContact CZ-CG2 3.62Å; F52-R243 VanDerWaalsContact CD2-CD 3.45Å; F52-R243 HydrophobicContact CD2-CG 4.45Å; F52-R243 VanDerWaalsContact CE2-CD 3.45Å; F52-R243 HydrophobicContact CE2-CG 4.39Å; F52-R243 HydrophobicContact CZ-CG 4.45Å
53	F	95.4	Very high	84.6	Confident	1 Å²	1	57 Å²	57	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144	179.8	-63	-94.2	0	0	0	110.3	W21 F24 I30 F49 T50 H61 V62 P63 R64 L86	W21-F53 HydrophobicContact CE3-CE1 4.05Å; W21-F53 HydrophobicContact CE3-CE2 4.45Å; W21-F53 AromaticContact CE3-CZ 3.76Å; W21-F53 HydrophobicContact CE3-CZ 3.76Å; W21-F53 AromaticContact CZ3-CE1 3.99Å; W21-F53 HydrophobicContact CZ3-CE1 3.99Å; W21-F53 HydrophobicContact CZ3-CE2 4Å; W21-F53 AromaticContact CZ3-CZ 3.7Å; W21-F53 HydrophobicContact CZ3-CZ 3.7Å; F24-F53 HydrophobicContact CB-CE2 4.28Å; F24-F53 HydrophobicContact CB-CZ 4.23Å; I30-F53 HydrophobicContact CD1-CD1 3.96Å; I30-F53 HydrophobicContact CD1-CD2 3.85Å; I30-F53 HydrophobicContact CD1-CE1 3.95Å; I30-F53 HydrophobicContact CD1-CE2 3.86Å; I30-F53 HydrophobicContact CD1-CG 3.91Å; I30-F53 HydrophobicContact CD1-CZ 3.91Å; F49-F53 HydrophobicContact CB-CD2 4.19Å; F49-F53 HydrophobicContact CD2-CB 4.4Å; F49-F53 WeakPolarHBondContact O-CD2 3.19Å; F49-F53 PolarHBondContact O-N 2.64Å; T50-F53 CarbonylContact C-O 3.45Å; T50-F53 WeakPolarHBondContact CA-O 3.44Å; F53-H61 HydrophobicContact CB-CB 4.21Å; F53-H61 HydrophobicContact CD1-CB 4.28Å; F53-V62 CarbonylContact C-O 3.53Å; F53-V62 VanDerWaalsContact CA-O 3.3Å; F53-V62 WeakPolarHBondContact CA-O 3.11Å; F53-P63 HydrophobicContact CD1-CG 4.19Å; F53-P63 HydrophobicContact CE1-CG 3.88Å; F53-R64 PolarHBondContact O-NE 3.09Å; F53-L86 HydrophobicContact CE1-CD1 4.32Å
54	S	93.6	Very high	86.7	Confident	28 Å²	28	51.1 Å²	51.1	20%	0.196	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.4	165.9	57.9	0	0	0	0	109.7	H61 V62	S54-H61 WeakPolarHBondContact O-CA 3.48Å; S54-V62 PolarHBondContact N-O 3.33Å; S54-V62 PolarHBondContact O-N 3.15Å; S54-V62 PolarHBondContact OG-O 2.96Å
55	E	90.9	Very high	88.8	Confident	131 Å²	131	48.1 Å²	48.1	61%	0.612	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.2	173.1	-166.1	-174.3	175.4	0	0	110.1
56	T	89.4	Confident	90.6	Very high	51 Å²	51	40.1 Å²	40.1	31%	0.313	24%	0.241	S	C	.	.			trans	-90.4	160.4	173.7	62	0	0	0	0	110.7	N58 G59 K60 V62	T56-N58 PolarHBondContact O-N 3.18Å; T56-G59 PolarHBondContact O-N 3.47Å; T56-K60 PolarHBondContact N-O 3.48Å; T56-K60 WeakPolarHBondContact OG1-CB 3.28Å; T56-K60 PolarHBondContact OG1-N 3.1Å; T56-K60 PolarHBondContact OG1-O 3.02Å; T56-V62 HydrophobicContact CG2-CG2 3.67Å
57	G	85.1	Confident	92	Very high	90 Å²	90	36.7 Å²	36.7	93%	0.928	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.4	179.5	0	0	0	0	0	115.9
58	N	86.8	Confident	92.8	Very high	164 Å²	164	31.3 Å²	31.3	88%	0.877	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	10.4	174.7	-67.8	-10.4	0	0	0	113	T56 K60	T56-N58 PolarHBondContact O-N 3.18Å; N58-K60 VanDerWaalsContact C-N 3.33Å; N58-K60 PolarHBondContact O-N 3.37Å
59	G	86.6	Confident	93.4	Very high	33 Å²	33	30.7 Å²	30.7	34%	0.34	19%	0.19	S	C	.	.	S	Bend	trans	77.4	14.6	179.2	0	0	0	0	0	114.8	T56 H61	T56-G59 PolarHBondContact O-N 3.47Å; G59-H61 PolarHBondContact O-CE1 3.47Å; G59-H61 PolarHBondContact O-ND1 3.49Å
60	K	92.1	Very high	93.8	Very high	60 Å²	60	30 Å²	30	26%	0.261	19%	0.187	S	C	.	.			trans	-93.5	138.9	176.9	173.1	177.2	170.3	174.8	0	110.9	D33 T56 N58 V62 Q85	D33-K60 WeakPolarHBondContact O-CD 3.37Å; D33-K60 WeakPolarHBondContact O-CE 3.34Å; D33-K60 PolarHBondContact O-NZ 2.86Å; T56-K60 PolarHBondContact N-O 3.48Å; T56-K60 WeakPolarHBondContact OG1-CB 3.28Å; T56-K60 PolarHBondContact OG1-N 3.1Å; T56-K60 PolarHBondContact OG1-O 3.02Å; N58-K60 VanDerWaalsContact C-N 3.33Å; N58-K60 PolarHBondContact O-N 3.37Å; K60-V62 HydrophobicContact CD-CG2 4.47Å; K60-V62 HydrophobicContact CG-CG2 4.18Å; K60-Q85 WeakPolarHBondContact CE-O 3.46Å; K60-Q85 PolarHBondContact NZ-O 2.85Å
61	H	94.1	Very high	93.9	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.5	-179.2	-59.7	78.4	0	0	0	109.4	I30 G34 F36 F49 F53 S54 G59	I30-H61 HydrophobicContact CD1-CB 4.06Å; I30-H61 HydrophobicContact CG2-CB 4.48Å; G34-H61 WeakPolarHBondContact CA-O 3.15Å; G34-H61 WeakPolarHBondContact O-CB 3.26Å; G34-H61 PolarHBondContact O-N 3.45Å; G34-H61 PolarHBondContact O-ND1 2.75Å; F36-H61 AromaticContact CD2-CE1 3.53Å; F36-H61 AromaticContact CD2-ND1 3.86Å; F36-H61 AromaticContact CE2-CE1 3.22Å; F36-H61 WeakPolarHBondContact CE2-CE1 3.2Å; F36-H61 AromaticContact CE2-ND1 3.62Å; F36-H61 AromaticContact CE2-NE2 3.51Å; F49-H61 AromaticContact CD2-CD2 3.64Å; F49-H61 AromaticContact CE2-CD2 3.31Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.43Å; F49-H61 AromaticContact CE2-NE2 3.45Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.31Å; F49-H61 AromaticContact CZ-NE2 3.83Å; F53-H61 HydrophobicContact CB-CB 4.21Å; F53-H61 HydrophobicContact CD1-CB 4.28Å; S54-H61 WeakPolarHBondContact O-CA 3.48Å; G59-H61 PolarHBondContact O-CE1 3.47Å; G59-H61 PolarHBondContact O-ND1 3.49Å
62	V	96.2	Very high	94	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.8	-175.2	178.6	0	0	0	0	109	F53 S54 T56 K60 H88	F53-V62 CarbonylContact C-O 3.53Å; F53-V62 VanDerWaalsContact CA-O 3.3Å; F53-V62 WeakPolarHBondContact CA-O 3.11Å; S54-V62 PolarHBondContact N-O 3.33Å; S54-V62 PolarHBondContact O-N 3.15Å; S54-V62 PolarHBondContact OG-O 2.96Å; T56-V62 HydrophobicContact CG2-CG2 3.67Å; K60-V62 HydrophobicContact CD-CG2 4.47Å; K60-V62 HydrophobicContact CG-CG2 4.18Å; V62-H88 HydrophobicContact CG1-CB 4.01Å
63	P	97.6	Very high	94	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	139.2	174.8	-31.3	38.6	0	0	0	113.4	W21 F53 A65 L86 F87 Q91	W21-P63 HydrophobicContact CD2-CB 3.95Å; W21-P63 HydrophobicContact CD2-CG 4.09Å; W21-P63 HydrophobicContact CE3-CB 3.75Å; W21-P63 HydrophobicContact CE3-CG 3.77Å; W21-P63 HydrophobicContact CH2-CB 3.71Å; W21-P63 HydrophobicContact CZ2-CB 3.9Å; W21-P63 HydrophobicContact CZ3-CB 3.61Å; W21-P63 HydrophobicContact CZ3-CG 4.03Å; F53-P63 HydrophobicContact CD1-CG 4.19Å; F53-P63 HydrophobicContact CE1-CG 3.88Å; P63-A65 HydrophobicContact CB-CB 3.85Å; P63-A65 PolarHBondContact O-N 2.86Å; P63-L86 WeakPolarHBondContact CD-O 3.39Å; P63-L86 HydrophobicContact CG-CD1 4.28Å; P63-L86 HydrophobicContact CG-CD2 3.76Å; P63-L86 HydrophobicContact CG-CG 3.66Å; P63-F87 HydrophobicContact CB-CD1 4.03Å; P63-F87 HydrophobicContact CB-CE1 3.93Å; P63-F87 HydrophobicContact CG-CD1 3.83Å; P63-F87 HydrophobicContact CG-CE1 3.69Å; P63-F87 HydrophobicContact CG-CZ 4.45Å; P63-Q91 PolarHBondContact O-OE1 3.37Å
64	R	97.3	Very high	94	Very high	13 Å²	13	36.8 Å²	36.8	5%	0.049	23%	0.226	C	C	.	.	S	Bend	trans	-80	63.8	163.7	-62.5	179.1	-168.9	-91.8	7.2	108.5	E3 C4 I5 S6 T50 F52 F53 A128 C129	E3-R64 IonicContact OE1-CZ 3.67Å; E3-R64 VanDerWaalsContact OE1-CZ 3.22Å; E3-R64 IonicContact OE1-NH1 3.95Å; E3-R64 PolarHBondContact OE1-NH1 2.82Å; E3-R64 IonicContact OE1-NH2 2.66Å; E3-R64 PolarHBondContact OE1-NH2 3.24Å; C4-R64 WeakPolarHBondContact O-CB 3.45Å; I5-R64 WeakPolarHBondContact CA-O 3.29Å; I5-R64 HydrophobicContact CG1-CB 4.47Å; S6-R64 PolarHBondContact N-O 2.89Å; T50-R64 PolarHBondContact O-NE 3.16Å; T50-R64 VanDerWaalsContact O-NE 3.15Å; T50-R64 PolarHBondContact O-NH2 3.43Å; F52-R64 WeakPolarHBondContact O-CB 3.36Å; F52-R64 PolarHBondContact O-N 3.04Å; F53-R64 PolarHBondContact O-NE 3.09Å; R64-A128 PolarHBondContact NH1-O 2.63Å; R64-C129 PolarHBondContact NH1-SG 2.83Å; R64-C129 VanDerWaalsContact NH1-SG 3.43Å
65	A	98	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	152.2	-174.2	0	0	0	0	0	111.4	S6 W21 P63 F87 Q91	S6-A65 CarbonylContact O-C 3.58Å; S6-A65 WeakPolarHBondContact O-CA 3.37Å; W21-A65 HydrophobicContact CH2-CB 4.45Å; W21-A65 HydrophobicContact CZ2-CB 3.53Å; P63-A65 HydrophobicContact CB-CB 3.85Å; P63-A65 PolarHBondContact O-N 2.86Å; A65-F87 HydrophobicContact CB-CE1 4.43Å; A65-Q91 VanDerWaalsContact O-CB 3.28Å; A65-Q91 WeakPolarHBondContact O-CB 3.48Å; A65-Q91 VanDerWaalsContact O-CG 3.25Å; A65-Q91 WeakPolarHBondContact O-CG 3.27Å; A65-Q91 PolarHBondContact O-OE1 3.29Å; A65-Q91 VanDerWaalsContact O-OE1 3.12Å
66	V	98.2	Very high	94.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.5	162.1	-166.6	0	0	0	0	107.4	S6 H8 I68 Q91 I93 I122 L125	S6-V66 PolarHBondContact O-N 3.33Å; H8-V66 PolarHBondContact N-O 3.1Å; V66-I68 HydrophobicContact CB-CD1 4.35Å; V66-I68 HydrophobicContact CB-CG1 4.46Å; V66-I68 HydrophobicContact CG1-CD1 3.85Å; V66-I68 HydrophobicContact CG1-CG1 3.64Å; V66-Q91 WeakPolarHBondContact CG1-O 3.24Å; V66-I93 HydrophobicContact CG1-CD1 3.6Å; V66-I93 HydrophobicContact CG1-CG1 4.28Å; V66-I122 HydrophobicContact CG2-CG1 4.07Å; V66-L125 HydrophobicContact CG2-CD1 3.52Å
67	M	98.4	Very high	94.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.3	174.9	-65.4	-178.3	168.8	0	0	108.5	H8 V14 V78 F87 Q91 L92 I93	H8-M67 HydrophobicContact CB-CG 4.19Å; V14-M67 HydrophobicContact CG1-SD 4.42Å; V14-M67 HydrophobicContact CG2-CB 4.28Å; M67-V78 HydrophobicContact CE-CG1 4.5Å; M67-V78 HydrophobicContact SD-CB 4.29Å; M67-V78 HydrophobicContact SD-CG1 3.86Å; M67-V78 HydrophobicContact SD-CG2 3.9Å; M67-F87 HydrophobicContact CE-CD1 4.11Å; M67-F87 HydrophobicContact CE-CE1 3.39Å; M67-F87 HydrophobicContact CE-CE2 3.88Å; M67-F87 HydrophobicContact CE-CZ 3.26Å; M67-F87 HydrophobicContact SD-CD1 4.46Å; M67-F87 HydrophobicContact SD-CE1 4.29Å; M67-F87 HydrophobicContact SD-CZ 4.32Å; M67-Q91 PolarHBondContact N-O 3.44Å; M67-L92 HydrophobicContact CB-CD2 3.82Å; M67-L92 HydrophobicContact CG-CD2 4.03Å; M67-L92 HydrophobicContact SD-CD2 3.61Å; M67-I93 PolarHBondContact O-N 3.2Å
68	I	97.9	Very high	95.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.3	-167.7	-51.8	152.1	0	0	0	108.3	V7 H8 V9 G10 V66 I93 V118 F149	V7-I68 HydrophobicContact CG1-CD1 3.62Å; H8-I68 PolarHBondContact O-N 2.87Å; V9-I68 WeakPolarHBondContact CA-O 3.31Å; V9-I68 HydrophobicContact CG2-CD1 4.33Å; G10-I68 PolarHBondContact N-O 2.9Å; V66-I68 HydrophobicContact CB-CD1 4.35Å; V66-I68 HydrophobicContact CB-CG1 4.46Å; V66-I68 HydrophobicContact CG1-CD1 3.85Å; V66-I68 HydrophobicContact CG1-CG1 3.64Å; I68-I93 WeakPolarHBondContact CA-O 3.36Å; I68-I93 HydrophobicContact CG1-CB 4.35Å; I68-I93 HydrophobicContact CG1-CD1 4.37Å; I68-V118 HydrophobicContact CD1-CB 4.36Å; I68-V118 HydrophobicContact CD1-CG1 3.45Å; I68-V118 VanDerWaalsContact CD1-CG1 3.45Å; I68-V118 HydrophobicContact CD1-CG2 3.93Å; I68-V118 HydrophobicContact CG1-CG1 4.39Å; I68-V118 HydrophobicContact CG1-CG2 4.05Å; I68-V118 HydrophobicContact CG2-CG2 3.95Å; I68-F149 HydrophobicContact CD1-CE1 4.28Å; I68-F149 HydrophobicContact CG2-CD1 4.23Å; I68-F149 HydrophobicContact CG2-CE1 3.69Å; I68-F149 HydrophobicContact CG2-CZ 4.4Å
69	D	97.5	Very high	95.8	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.8	160.6	-154.6	-21.1	0	0	0	109.8	G10 Q11 E71 V74 V75 I93 T94 G95 T145	G10-D69 VanDerWaalsContact C-OD2 3.3Å; G10-D69 WeakPolarHBondContact CA-OD2 3.24Å; Q11-D69 PolarHBondContact N-OD2 2.85Å; D69-E71 WeakPolarHBondContact CB-O 3.4Å; D69-E71 PolarHBondContact O-N 3.4Å; D69-V74 HydrophobicContact CB-CG2 3.98Å; D69-V74 WeakPolarHBondContact OD2-CG2 3.24Å; D69-V75 HydrophobicContact CB-CG2 3.97Å; D69-I93 PolarHBondContact N-O 2.86Å; D69-I93 VanDerWaalsContact N-O 3.14Å; D69-T94 CarbonylContact O-C 3.51Å; D69-T94 VanDerWaalsContact O-CA 3.24Å; D69-T94 WeakPolarHBondContact O-CA 3.35Å; D69-G95 PolarHBondContact O-N 3.31Å; D69-T145 PolarHBondContact OD1-OG1 3.37Å; D69-T145 VanDerWaalsContact OD1-OG1 3.07Å
70	L	96	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-76.6	-18	179.2	-61.6	176.9	0	0	0	111.2	G95 K96 E97 A99 V110 T145 F149	L70-G95 CarbonylContact O-C 3.4Å; L70-G95 WeakPolarHBondContact O-CA 3.23Å; L70-G95 PolarHBondContact O-N 3Å; L70-K96 PolarHBondContact O-N 3.4Å; L70-E97 CarbonylContact C-O 3.46Å; L70-E97 VanDerWaalsContact C-O 3.24Å; L70-E97 WeakPolarHBondContact CB-O 3.26Å; L70-E97 CarbonylContact O-C 3.49Å; L70-E97 PolarHBondContact O-N 2.87Å; L70-A99 HydrophobicContact CD1-CB 4.19Å; L70-V110 HydrophobicContact CB-CG1 4.13Å; L70-V110 HydrophobicContact CD1-CB 4.31Å; L70-V110 HydrophobicContact CD1-CG1 4.05Å; L70-V110 HydrophobicContact CD2-CG1 4.26Å; L70-V110 HydrophobicContact CG-CG1 4.36Å; L70-T145 HydrophobicContact CD1-CG2 4.19Å; L70-T145 HydrophobicContact CG-CG2 3.84Å; L70-F149 HydrophobicContact CD1-CB 4.38Å
71	E	94	Very high	96.4	Very high	54 Å²	54	28.1 Å²	28.1	25%	0.252	16%	0.161	S	C	.	.	S	Bend	trans	-111.7	159.4	167.7	67.7	159.3	140.2	0	0	112.4	D69 T73 D98	D69-E71 WeakPolarHBondContact CB-O 3.4Å; D69-E71 PolarHBondContact O-N 3.4Å; E71-T73 PolarHBondContact OE2-OG1 2.78Å; E71-D98 HydrophobicContact CB-CB 3.89Å; E71-D98 HydrophobicContact CG-CB 4.29Å
72	P	94.5	Very high	96.4	Very high	49 Å²	49	33.2 Å²	33.2	32%	0.318	19%	0.193	S	C	.	.	S	Bend	trans	-79.9	-22.2	-172.2	30.1	-35.4	0	0	0	115	V74 V75 D76 T94	P72-V74 PolarHBondContact O-N 2.87Å; P72-V75 PolarHBondContact O-N 2.9Å; P72-D76 VanDerWaalsContact O-CB 3.29Å; P72-D76 WeakPolarHBondContact O-CB 3.44Å; P72-D76 PolarHBondContact O-N 3.29Å; P72-T94 HydrophobicContact CB-CG2 4.38Å
73	T	94.5	Very high	96.3	Very high	73 Å²	73	34.1 Å²	34.1	45%	0.448	20%	0.196	S	C	.	.	H	α-helix	trans	-48	-61.5	-161.5	-54.3	0	0	0	0	114.3	E71 D76 E77	E71-T73 PolarHBondContact OE2-OG1 2.78Å; T73-D76 PolarHBondContact O-N 2.74Å; T73-E77 PolarHBondContact O-N 2.82Å
74	V	95.4	Very high	96.2	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-75.4	-29.2	-173.4	-65.2	0	0	0	0	113.9	Q11 V14 Q15 D69 P72 E77 V78	Q11-V74 HydrophobicContact CB-CG1 4.02Å; Q11-V74 HydrophobicContact CG-CG1 3.86Å; V14-V74 HydrophobicContact CB-CB 4.43Å; V14-V74 HydrophobicContact CB-CG2 3.98Å; V14-V74 HydrophobicContact CG1-CB 4.19Å; V14-V74 HydrophobicContact CG1-CG2 4.05Å; V14-V74 HydrophobicContact CG2-CG2 4.23Å; Q15-V74 HydrophobicContact CG-CG1 4.4Å; D69-V74 HydrophobicContact CB-CG2 3.98Å; D69-V74 WeakPolarHBondContact OD2-CG2 3.24Å; P72-V74 PolarHBondContact O-N 2.87Å; V74-E77 WeakPolarHBondContact O-CB 3.22Å; V74-E77 PolarHBondContact O-N 3.4Å; V74-V78 PolarHBondContact O-N 3.13Å
75	V	97.2	Very high	96.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-76.8	-33.4	176.9	-179	0	0	0	0	109.6	V14 D69 P72 E77 V78 R79 L92 T94	V14-V75 HydrophobicContact CG1-CG2 4.31Å; V14-V75 HydrophobicContact CG2-CG2 4.11Å; D69-V75 HydrophobicContact CB-CG2 3.97Å; P72-V75 PolarHBondContact O-N 2.9Å; V75-E77 VanDerWaalsContact C-N 3.3Å; V75-E77 PolarHBondContact O-N 3.33Å; V75-V78 WeakPolarHBondContact O-CB 3.35Å; V75-V78 PolarHBondContact O-N 2.97Å; V75-V78 VanDerWaalsContact O-N 3.1Å; V75-R79 WeakPolarHBondContact O-CG 3.33Å; V75-R79 PolarHBondContact O-N 3.04Å; V75-L92 HydrophobicContact CG1-CB 3.72Å; V75-L92 HydrophobicContact CG1-CD2 4.37Å; V75-T94 HydrophobicContact CB-CG2 3.34Å; V75-T94 HydrophobicContact CG1-CG2 3.62Å; V75-T94 HydrophobicContact CG2-CG2 3.72Å
76	D	96.5	Very high	96	Very high	71 Å²	71	45.5 Å²	45.5	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-34.4	171.5	-82.1	-9.1	0	0	0	112.1	P72 T73 V78 R79 A80	P72-D76 VanDerWaalsContact O-CB 3.29Å; P72-D76 WeakPolarHBondContact O-CB 3.44Å; P72-D76 PolarHBondContact O-N 3.29Å; T73-D76 PolarHBondContact O-N 2.74Å; D76-V78 VanDerWaalsContact C-N 3.26Å; D76-V78 PolarHBondContact O-N 3.33Å; D76-R79 CarbonylContact O-C 3.57Å; D76-R79 PolarHBondContact O-N 3.37Å; D76-R79 VanDerWaalsContact O-N 3.15Å; D76-R79 WeakPolarHBondContact OD1-CD 3.14Å; D76-R79 IonicContact OD1-CZ 3.49Å; D76-R79 IonicContact OD1-NE 3.49Å; D76-R79 IonicContact OD1-NH1 3.34Å; D76-R79 PolarHBondContact OD1-NH1 3.07Å; D76-A80 WeakPolarHBondContact O-CB 3.45Å; D76-A80 PolarHBondContact O-N 2.87Å
77	E	96.5	Very high	95.9	Very high	109 Å²	109	45.8 Å²	45.8	51%	0.509	24%	0.244	S	C	.	.	H	α-helix	trans	-58.2	-39.1	169.8	-69.1	177.8	175.6	0	0	111.6	T73 V74 V75 A80 G81	T73-E77 PolarHBondContact O-N 2.82Å; V74-E77 WeakPolarHBondContact O-CB 3.22Å; V74-E77 PolarHBondContact O-N 3.4Å; V75-E77 VanDerWaalsContact C-N 3.3Å; V75-E77 PolarHBondContact O-N 3.33Å; E77-A80 PolarHBondContact O-N 3.09Å; E77-G81 WeakPolarHBondContact O-CA 3.48Å; E77-G81 PolarHBondContact O-N 3.39Å
78	V	96.4	Very high	95.7	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-42.8	174	-178.5	0	0	0	0	110.9	V14 N18 M67 V74 V75 D76 A80 G81 R84 F87 L92	V14-V78 HydrophobicContact CG1-CG2 3.99Å; N18-V78 HydrophobicContact CB-CG2 4.37Å; M67-V78 HydrophobicContact CE-CG1 4.5Å; M67-V78 HydrophobicContact SD-CB 4.29Å; M67-V78 HydrophobicContact SD-CG1 3.86Å; M67-V78 HydrophobicContact SD-CG2 3.9Å; V74-V78 PolarHBondContact O-N 3.13Å; V75-V78 WeakPolarHBondContact O-CB 3.35Å; V75-V78 PolarHBondContact O-N 2.97Å; V75-V78 VanDerWaalsContact O-N 3.1Å; D76-V78 VanDerWaalsContact C-N 3.26Å; D76-V78 PolarHBondContact O-N 3.33Å; V78-A80 VanDerWaalsContact C-N 3.25Å; V78-A80 PolarHBondContact O-N 3.4Å; V78-G81 PolarHBondContact O-N 3.17Å; V78-R84 WeakPolarHBondContact O-CA 3.41Å; V78-F87 HydrophobicContact CG1-CD2 3.57Å; V78-F87 HydrophobicContact CG1-CE2 3.68Å; V78-F87 HydrophobicContact CG1-CG 4.48Å; V78-L92 HydrophobicContact CG1-CD2 4.29Å
79	R	96.4	Very high	95.6	Very high	84 Å²	84	54.2 Å²	54.2	32%	0.317	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-28.1	177.5	-67.4	175.4	-175.3	137.7	-2.2	113.1	V75 D76 R84 L92 T94	V75-R79 WeakPolarHBondContact O-CG 3.33Å; V75-R79 PolarHBondContact O-N 3.04Å; D76-R79 CarbonylContact O-C 3.57Å; D76-R79 PolarHBondContact O-N 3.37Å; D76-R79 VanDerWaalsContact O-N 3.15Å; D76-R79 WeakPolarHBondContact OD1-CD 3.14Å; D76-R79 IonicContact OD1-CZ 3.49Å; D76-R79 IonicContact OD1-NE 3.49Å; D76-R79 IonicContact OD1-NH1 3.34Å; D76-R79 PolarHBondContact OD1-NH1 3.07Å; R79-R84 WeakPolarHBondContact O-CB 3.4Å; R79-L92 HydrophobicContact CG-CD1 3.57Å; R79-L92 PolarHBondContact NH2-O 2.83Å; R79-T94 VanDerWaalsContact NH1-CG2 3.31Å; R79-T94 PolarHBondContact NH1-OG1 3.44Å; R79-T94 VanDerWaalsContact NH1-OG1 3.14Å; R79-T94 PolarHBondContact NH2-OG1 3.11Å
80	A	96.3	Very high	95.6	Very high	77 Å²	77	58.6 Å²	58.6	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-98.7	-15.1	178.8	0	0	0	0	0	113.5	D76 E77 V78	D76-A80 WeakPolarHBondContact O-CB 3.45Å; D76-A80 PolarHBondContact O-N 2.87Å; E77-A80 PolarHBondContact O-N 3.09Å; V78-A80 VanDerWaalsContact C-N 3.25Å; V78-A80 PolarHBondContact O-N 3.4Å
81	G	94.6	Very high	95.6	Very high	29 Å²	29	59.4 Å²	59.4	30%	0.299	32%	0.316	S	S	.	.	S	Bend	trans	-78.5	-177	-172.8	0	0	0	0	0	115.1	E77 V78 Y83 R84	E77-G81 WeakPolarHBondContact O-CA 3.48Å; E77-G81 PolarHBondContact O-N 3.39Å; V78-G81 PolarHBondContact O-N 3.17Å; G81-Y83 VanDerWaalsContact C-N 3.26Å; G81-Y83 PolarHBondContact O-N 2.62Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.43Å; G81-R84 VanDerWaalsContact O-CG 3.31Å; G81-R84 WeakPolarHBondContact O-CG 3.25Å; G81-R84 PolarHBondContact O-N 3.32Å; G81-R84 VanDerWaalsContact O-N 3.15Å
82	T	94.7	Very high	95.8	Very high	116 Å²	116	57.3 Å²	57.3	71%	0.712	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-39.8	-178.4	-51.9	0	0	0	0	112.6	A32 R84	A32-T82 HydrophobicContact CB-CG2 4.17Å; T82-R84 PolarHBondContact O-N 3.29Å
83	Y	94.9	Very high	95.9	Very high	27 Å²	27	55.5 Å²	55.5	11%	0.106	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	16.6	-177.6	-67.4	-85.9	0	0	0	113.8	E22 C25 A32 G81 Q85 L86	E22-Y83 HydrophobicContact CB-CD2 4.48Å; E22-Y83 HydrophobicContact CB-CE2 3.69Å; E22-Y83 HydrophobicContact CG-CE2 3.92Å; E22-Y83 WeakPolarHBondContact CG-OH 3.22Å; C25-Y83 HydrophobicContact CB-CE1 4.02Å; A32-Y83 HydrophobicContact CB-CD1 3.64Å; A32-Y83 HydrophobicContact CB-CE1 3.69Å; A32-Y83 HydrophobicContact CB-CG 4.26Å; G81-Y83 VanDerWaalsContact C-N 3.26Å; G81-Y83 PolarHBondContact O-N 2.62Å; Y83-Q85 PolarHBondContact O-N 3.18Å; Y83-L86 HydrophobicContact CD1-CB 4.33Å; Y83-L86 HydrophobicContact CD1-CD2 3.84Å; Y83-L86 HydrophobicContact CG-CD2 4.49Å; Y83-L86 VanDerWaalsContact O-CB 3.23Å; Y83-L86 WeakPolarHBondContact O-CB 3.46Å; Y83-L86 PolarHBondContact O-N 3.22Å
84	R	94.4	Very high	96	Very high	147 Å²	147	54.2 Å²	54.2	56%	0.555	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.2	-179.1	65.5	-175.3	-175.6	173.3	-0.8	114.9	V78 R79 G81 T82	V78-R84 WeakPolarHBondContact O-CA 3.41Å; R79-R84 WeakPolarHBondContact O-CB 3.4Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.43Å; G81-R84 VanDerWaalsContact O-CG 3.31Å; G81-R84 WeakPolarHBondContact O-CG 3.25Å; G81-R84 PolarHBondContact O-N 3.32Å; G81-R84 VanDerWaalsContact O-N 3.15Å; T82-R84 PolarHBondContact O-N 3.29Å
85	Q	94.9	Very high	95.9	Very high	106 Å²	106	54.8 Å²	54.8	50%	0.495	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-19.1	178.2	-74.5	178.7	-10.6	0	0	111.7	D33 K60 Y83	D33-Q85 HydrophobicContact CB-CB 4.2Å; K60-Q85 WeakPolarHBondContact CE-O 3.46Å; K60-Q85 PolarHBondContact NZ-O 2.85Å; Y83-Q85 PolarHBondContact O-N 3.18Å
86	L	96.6	Very high	95.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-48.1	-177.2	-175.6	66.4	0	0	0	112.2	W21 C25 I30 A32 F53 P63 Y83	W21-L86 HydrophobicContact CB-CD2 4.32Å; C25-L86 VanDerWaalsContact SG-CD2 3.51Å; I30-L86 HydrophobicContact CG2-CD1 4.36Å; A32-L86 PolarHBondContact O-N 2.68Å; F53-L86 HydrophobicContact CE1-CD1 4.32Å; P63-L86 WeakPolarHBondContact CD-O 3.39Å; P63-L86 HydrophobicContact CG-CD1 4.28Å; P63-L86 HydrophobicContact CG-CD2 3.76Å; P63-L86 HydrophobicContact CG-CG 3.66Å; Y83-L86 HydrophobicContact CD1-CB 4.33Å; Y83-L86 HydrophobicContact CD1-CD2 3.84Å; Y83-L86 HydrophobicContact CG-CD2 4.49Å; Y83-L86 VanDerWaalsContact O-CB 3.23Å; Y83-L86 WeakPolarHBondContact O-CB 3.46Å; Y83-L86 PolarHBondContact O-N 3.22Å
87	F	96.2	Very high	95.1	Very high	6 Å²	6	66.3 Å²	66.3	3%	0.026	34%	0.341	C	S	.	.	S	Bend	trans	-81.1	147.6	-172.3	-60.5	-79.4	0	0	0	112.7	W21 P63 A65 M67 V78 L92	W21-F87 HydrophobicContact CB-CE1 4.31Å; W21-F87 HydrophobicContact CB-CZ 3.71Å; W21-F87 AromaticContact CD1-CE1 3.56Å; W21-F87 AromaticContact CD1-CZ 3.58Å; W21-F87 HydrophobicContact CD2-CE1 4.23Å; W21-F87 AromaticContact CG-CE1 3.78Å; W21-F87 HydrophobicContact CG-CE1 3.78Å; W21-F87 AromaticContact CG-CZ 3.66Å; W21-F87 HydrophobicContact CG-CZ 3.66Å; W21-F87 AromaticContact NE1-CE1 3.93Å; P63-F87 HydrophobicContact CB-CD1 4.03Å; P63-F87 HydrophobicContact CB-CE1 3.93Å; P63-F87 HydrophobicContact CG-CD1 3.83Å; P63-F87 HydrophobicContact CG-CE1 3.69Å; P63-F87 HydrophobicContact CG-CZ 4.45Å; A65-F87 HydrophobicContact CB-CE1 4.43Å; M67-F87 HydrophobicContact CE-CD1 4.11Å; M67-F87 HydrophobicContact CE-CE1 3.39Å; M67-F87 HydrophobicContact CE-CE2 3.88Å; M67-F87 HydrophobicContact CE-CZ 3.26Å; M67-F87 HydrophobicContact SD-CD1 4.46Å; M67-F87 HydrophobicContact SD-CE1 4.29Å; M67-F87 HydrophobicContact SD-CZ 4.32Å; V78-F87 HydrophobicContact CG1-CD2 3.57Å; V78-F87 HydrophobicContact CG1-CE2 3.68Å; V78-F87 HydrophobicContact CG1-CG 4.48Å; F87-L92 HydrophobicContact CB-CD1 4.19Å; F87-L92 HydrophobicContact CB-CD2 3.91Å; F87-L92 HydrophobicContact CB-CG 4.14Å; F87-L92 HydrophobicContact CG-CD2 4.16Å
88	H	95.3	Very high	94.7	Very high	79 Å²	79	64.8 Å²	64.8	37%	0.366	34%	0.337	S	S	.	.			trans	-69.8	129.2	169.6	-166.3	-86.8	0	0	0	109.3	V62 E90 Q91	V62-H88 HydrophobicContact CG1-CB 4.01Å; H88-E90 IonicContact CE1-OE2 2.71Å; H88-E90 WeakPolarHBondContact ND1-CB 3.37Å; H88-E90 PolarHBondContact ND1-N 3.17Å; H88-E90 PolarHBondContact O-N 3.19Å; H88-E90 VanDerWaalsContact O-N 3.1Å; H88-Q91 HydrophobicContact CB-CB 4.28Å; H88-Q91 VanDerWaalsContact CB-CD 3.41Å; H88-Q91 HydrophobicContact CB-CG 3.85Å; H88-Q91 WeakPolarHBondContact O-CB 2.92Å; H88-Q91 PolarHBondContact O-N 2.88Å
89	P	95.6	Very high	94.3	Very high	99 Å²	99	64.7 Å²	64.7	64%	0.643	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-55.6	-35.5	-177.3	-28.4	35.5	0	0	0	113.8	Q91 L92	P89-Q91 VanDerWaalsContact C-N 3.26Å; P89-Q91 PolarHBondContact O-N 3.03Å; P89-L92 PolarHBondContact O-N 2.83Å
90	E	95.9	Very high	94	Very high	96 Å²	96	63.5 Å²	63.5	45%	0.449	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-74.5	-9.9	178.2	-57.2	-168.8	157.4	0	0	115.1	H88 R121	H88-E90 IonicContact CE1-OE2 2.71Å; H88-E90 WeakPolarHBondContact ND1-CB 3.37Å; H88-E90 PolarHBondContact ND1-N 3.17Å; H88-E90 PolarHBondContact O-N 3.19Å; H88-E90 VanDerWaalsContact O-N 3.1Å; E90-R121 VanDerWaalsContact CD-NH2 3.29Å; E90-R121 WeakPolarHBondContact O-CD 3.46Å; E90-R121 PolarHBondContact O-NE 3.14Å; E90-R121 VanDerWaalsContact O-NE 3.15Å; E90-R121 IonicContact OE1-NH2 3.76Å; E90-R121 IonicContact OE2-CZ 3.92Å; E90-R121 IonicContact OE2-NE 2.62Å; E90-R121 IonicContact OE2-NH1 2.81Å; E90-R121 IonicContact OE2-NH2 3.6Å; E90-R121 PolarHBondContact OE2-NH2 3.1Å; E90-R121 VanDerWaalsContact OE2-NH2 3.17Å
91	Q	96.6	Very high	93.8	Very high	17 Å²	17	63.4 Å²	63.4	8%	0.079	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-89.3	-10.8	172.6	-69.8	165.1	1.5	0	0	112	P63 A65 V66 M67 H88 P89	P63-Q91 PolarHBondContact O-OE1 3.37Å; A65-Q91 VanDerWaalsContact O-CB 3.28Å; A65-Q91 WeakPolarHBondContact O-CB 3.48Å; A65-Q91 VanDerWaalsContact O-CG 3.25Å; A65-Q91 WeakPolarHBondContact O-CG 3.27Å; A65-Q91 PolarHBondContact O-OE1 3.29Å; A65-Q91 VanDerWaalsContact O-OE1 3.12Å; V66-Q91 WeakPolarHBondContact CG1-O 3.24Å; M67-Q91 PolarHBondContact N-O 3.44Å; H88-Q91 HydrophobicContact CB-CB 4.28Å; H88-Q91 VanDerWaalsContact CB-CD 3.41Å; H88-Q91 HydrophobicContact CB-CG 3.85Å; H88-Q91 WeakPolarHBondContact O-CB 2.92Å; H88-Q91 PolarHBondContact O-N 2.88Å; P89-Q91 VanDerWaalsContact C-N 3.26Å; P89-Q91 PolarHBondContact O-N 3.03Å
92	L	97.8	Very high	93.9	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.058	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	92.7	174.3	-56.9	-177.4	0	0	0	107.8	M67 V75 V78 R79 F87 P89	M67-L92 HydrophobicContact CB-CD2 3.82Å; M67-L92 HydrophobicContact CG-CD2 4.03Å; M67-L92 HydrophobicContact SD-CD2 3.61Å; V75-L92 HydrophobicContact CG1-CB 3.72Å; V75-L92 HydrophobicContact CG1-CD2 4.37Å; V78-L92 HydrophobicContact CG1-CD2 4.29Å; R79-L92 HydrophobicContact CG-CD1 3.57Å; R79-L92 PolarHBondContact NH2-O 2.83Å; F87-L92 HydrophobicContact CB-CD1 4.19Å; F87-L92 HydrophobicContact CB-CD2 3.91Å; F87-L92 HydrophobicContact CB-CG 4.14Å; F87-L92 HydrophobicContact CG-CD2 4.16Å; P89-L92 PolarHBondContact O-N 2.83Å
93	I	97.5	Very high	94	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.3	-172.6	-57.5	171.7	0	0	0	108.8	V66 M67 I68 D69 L117 V118 R121	V66-I93 HydrophobicContact CG1-CD1 3.6Å; V66-I93 HydrophobicContact CG1-CG1 4.28Å; M67-I93 PolarHBondContact O-N 3.2Å; I68-I93 WeakPolarHBondContact CA-O 3.36Å; I68-I93 HydrophobicContact CG1-CB 4.35Å; I68-I93 HydrophobicContact CG1-CD1 4.37Å; D69-I93 PolarHBondContact N-O 2.86Å; D69-I93 VanDerWaalsContact N-O 3.14Å; I93-L117 HydrophobicContact CG2-CD2 3.81Å; I93-L117 HydrophobicContact CG2-CG 4.39Å; I93-V118 HydrophobicContact CD1-CB 4.44Å; I93-V118 HydrophobicContact CD1-CG2 3.81Å; I93-V118 HydrophobicContact CG2-CG2 4.25Å; I93-R121 HydrophobicContact CD1-CB 4.12Å; I93-R121 HydrophobicContact CD1-CG 3.87Å
94	T	96.5	Very high	94.2	Very high	45 Å²	45	55.6 Å²	55.6	28%	0.276	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.5	177.7	48	0	0	0	0	110.6	D69 P72 V75 R79	D69-T94 CarbonylContact O-C 3.51Å; D69-T94 VanDerWaalsContact O-CA 3.24Å; D69-T94 WeakPolarHBondContact O-CA 3.35Å; P72-T94 HydrophobicContact CB-CG2 4.38Å; V75-T94 HydrophobicContact CB-CG2 3.34Å; V75-T94 HydrophobicContact CG1-CG2 3.62Å; V75-T94 HydrophobicContact CG2-CG2 3.72Å; R79-T94 VanDerWaalsContact NH1-CG2 3.31Å; R79-T94 PolarHBondContact NH1-OG1 3.44Å; R79-T94 VanDerWaalsContact NH1-OG1 3.14Å; R79-T94 PolarHBondContact NH2-OG1 3.11Å
95	G	92.2	Very high	94.3	Very high	16 Å²	16	50.9 Å²	50.9	17%	0.165	27%	0.265	C	S	.	.			trans	-78.4	-171.1	166.2	0	0	0	0	0	112.4	D69 L70	D69-G95 PolarHBondContact O-N 3.31Å; L70-G95 CarbonylContact O-C 3.4Å; L70-G95 WeakPolarHBondContact O-CA 3.23Å; L70-G95 PolarHBondContact O-N 3Å
96	K	89.5	Confident	94.4	Very high	207 Å²	207	45.9 Å²	45.9	90%	0.9	24%	0.241	S	C	*	.	S	Bend	trans	-113.1	-10.8	177.7	-64.5	178.9	-177	172.1	0	113	L70	L70-K96 PolarHBondContact O-N 3.4Å
97	E	87.5	Confident	94.5	Very high	107 Å²	107	46.4 Å²	46.4	50%	0.5	24%	0.243	S	C	.	.	S	Bend	trans	-132	130.6	-173.5	-68.4	-172.8	-142.8	0	0	108.4	L70 R105 V110	L70-E97 CarbonylContact C-O 3.46Å; L70-E97 VanDerWaalsContact C-O 3.24Å; L70-E97 WeakPolarHBondContact CB-O 3.26Å; L70-E97 CarbonylContact O-C 3.49Å; L70-E97 PolarHBondContact O-N 2.87Å; E97-R105 IonicContact OE2-CZ 3.67Å; E97-R105 IonicContact OE2-NH2 3.86Å; E97-R105 PolarHBondContact OE2-NH2 2.82Å; E97-V110 HydrophobicContact CB-CG1 4.23Å; E97-V110 HydrophobicContact CB-CG2 4.41Å
98	D	88.2	Confident	94.5	Very high	76 Å²	76	49.2 Å²	49.2	41%	0.406	25%	0.254	S	S	.	.			trans	-70.9	162	175.6	66.8	52.7	0	0	0	111.8	E71 A100 R105	E71-D98 HydrophobicContact CB-CB 3.89Å; E71-D98 HydrophobicContact CG-CB 4.29Å; D98-A100 VanDerWaalsContact C-N 3.25Å; D98-A100 VanDerWaalsContact OD1-CA 3.24Å; D98-A100 WeakPolarHBondContact OD1-CA 3.17Å; D98-A100 WeakPolarHBondContact OD1-CB 3.4Å; D98-A100 PolarHBondContact OD1-N 2.71Å; D98-R105 PolarHBondContact O-NE 3.21Å
99	A	88.6	Confident	94.6	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	25%	0.249	C	C	.	.			trans	-81.6	-1	171.4	0	0	0	0	0	112.9	L70 N101 N102	L70-A99 HydrophobicContact CD1-CB 4.19Å; A99-N101 PolarHBondContact O-N 3.36Å; A99-N101 VanDerWaalsContact O-N 3.09Å; A99-N102 WeakPolarHBondContact O-CB 3.18Å; A99-N102 PolarHBondContact O-N 3.44Å
100	A	89.6	Confident	94.6	Very high	59 Å²	59	43.3 Å²	43.3	49%	0.488	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	36.2	-178	0	0	0	0	0	114.9	D98 N102	D98-A100 VanDerWaalsContact C-N 3.25Å; D98-A100 VanDerWaalsContact OD1-CA 3.24Å; D98-A100 WeakPolarHBondContact OD1-CA 3.17Å; D98-A100 WeakPolarHBondContact OD1-CB 3.4Å; D98-A100 PolarHBondContact OD1-N 2.71Å; A100-N102 PolarHBondContact O-N 3.12Å
101	N	93.1	Very high	94.6	Very high	74 Å²	74	38.7 Å²	38.7	40%	0.396	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	25.3	-171.5	-63.7	-52.1	0	0	0	114.9	A99 A180 V182 N186	A99-N101 PolarHBondContact O-N 3.36Å; A99-N101 VanDerWaalsContact O-N 3.09Å; N101-A180 HydrophobicContact CB-CB 3.64Å; N101-V182 HydrophobicContact CB-CG2 4.5Å; N101-V182 WeakPolarHBondContact O-CG2 3.48Å; N101-N186 PolarHBondContact O-ND2 3.17Å
102	N	96.1	Very high	94.5	Very high	8 Å²	8	44 Å²	44	4%	0.043	22%	0.223	C	C	.	.			trans	-110.2	115.9	-179.1	-176.2	-18.4	0	0	0	110.5	A99 A100 A104 R105 G106 W407 Y408	A99-N102 WeakPolarHBondContact O-CB 3.18Å; A99-N102 PolarHBondContact O-N 3.44Å; A100-N102 PolarHBondContact O-N 3.12Å; N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 3.14Å; N102-A104 WeakPolarHBondContact OD1-CB 3.11Å; N102-A104 PolarHBondContact OD1-N 3.17Å; N102-R105 HydrophobicContact CB-CB 4.05Å; N102-R105 PolarHBondContact O-N 2.55Å; N102-G106 PolarHBondContact O-N 2.81Å; N102-W407 PolarHBondContact ND2-O 3Å; N102-Y408 WeakPolarHBondContact OD1-CD1 3.13Å
103	Y	98	Very high	94.4	Very high	1 Å²	1	51 Å²	51	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-50.9	-48.4	174.3	173.4	-84.2	0	0	0	112.1	R105 G106 H107 Y108 S147 G148 S151 N186 L189 T190 T193	Y103-R105 PolarHBondContact O-N 3.36Å; Y103-G106 CarbonylContact O-C 3.57Å; Y103-G106 WeakPolarHBondContact O-CA 3.47Å; Y103-G106 PolarHBondContact O-N 3.29Å; Y103-H107 HydrophobicContact CD1-CB 4.27Å; Y103-H107 HydrophobicContact CE1-CB 3.89Å; Y103-H107 AromaticContact CZ-CD2 3.91Å; Y103-H107 WeakPolarHBondContact O-CB 3.3Å; Y103-H107 PolarHBondContact O-N 2.9Å; Y103-H107 PolarHBondContact OH-CD2 3.13Å; Y103-Y108 HydrophobicContact CE1-CE2 4.41Å; Y103-S147 WeakPolarHBondContact CD2-OG 3.42Å; Y103-G148 WeakPolarHBondContact O-CA 3.46Å; Y103-S151 WeakPolarHBondContact CE2-OG 3.43Å; Y103-S151 VanDerWaalsContact OH-CB 3.23Å; Y103-S151 WeakPolarHBondContact OH-CB 3.34Å; Y103-S151 PolarHBondContact OH-OG 2.9Å; Y103-N186 VanDerWaalsContact CB-OD1 3.23Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.45Å; Y103-N186 PolarHBondContact N-OD1 3.25Å; Y103-L189 HydrophobicContact CD1-CB 3.97Å; Y103-L189 HydrophobicContact CD1-CD1 3.74Å; Y103-L189 HydrophobicContact CD1-CG 4.42Å; Y103-L189 HydrophobicContact CD2-CB 3.84Å; Y103-L189 HydrophobicContact CE1-CB 3.96Å; Y103-L189 HydrophobicContact CE1-CD1 4.34Å; Y103-L189 HydrophobicContact CE2-CB 3.84Å; Y103-L189 HydrophobicContact CG-CB 3.95Å; Y103-L189 HydrophobicContact CG-CD1 3.98Å; Y103-T190 WeakPolarHBondContact CD2-OG1 3.14Å; Y103-T190 VanDerWaalsContact CE2-OG1 3.3Å; Y103-T190 WeakPolarHBondContact CE2-OG1 3.46Å; Y103-T193 PolarHBondContact OH-OG1 3.37Å
104	A	97.9	Very high	94.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-34.3	-174.2	0	0	0	0	0	111.7	N102 H107 Y108 Y408 E411 M413	N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 3.14Å; N102-A104 WeakPolarHBondContact OD1-CB 3.11Å; N102-A104 PolarHBondContact OD1-N 3.17Å; A104-H107 PolarHBondContact O-N 3.4Å; A104-Y108 HydrophobicContact CB-CD2 3.99Å; A104-Y108 WeakPolarHBondContact O-CB 3.22Å; A104-Y108 PolarHBondContact O-N 2.89Å; A104-Y408 HydrophobicContact CB-CD1 3.94Å; A104-Y408 HydrophobicContact CB-CG 4.28Å; A104-E411 HydrophobicContact CB-CB 3.84Å; A104-E411 HydrophobicContact CB-CG 4.49Å; A104-M413 HydrophobicContact CB-CB 3.9Å; A104-M413 HydrophobicContact CB-SD 4.11Å
105	R	97	Very high	94.4	Very high	48 Å²	48	49.7 Å²	49.7	18%	0.181	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-38.9	174.5	-168.6	170.6	171	90.2	5.2	112.3	E97 D98 N102 Y103 H107 T109 V110 G111 E411	E97-R105 IonicContact OE2-CZ 3.67Å; E97-R105 IonicContact OE2-NH2 3.86Å; E97-R105 PolarHBondContact OE2-NH2 2.82Å; D98-R105 PolarHBondContact O-NE 3.21Å; N102-R105 HydrophobicContact CB-CB 4.05Å; N102-R105 PolarHBondContact O-N 2.55Å; Y103-R105 PolarHBondContact O-N 3.36Å; R105-H107 VanDerWaalsContact C-N 3.31Å; R105-T109 WeakPolarHBondContact CA-OG1 3.26Å; R105-T109 PolarHBondContact O-OG1 3.12Å; R105-V110 HydrophobicContact CG-CB 4.26Å; R105-V110 HydrophobicContact CG-CG2 3.67Å; R105-V110 PolarHBondContact O-N 3.48Å; R105-G111 PolarHBondContact O-N 3.34Å; R105-E411 HydrophobicContact CB-CG 4.06Å; R105-E411 IonicContact NH1-OE1 2.63Å; R105-E411 PolarHBondContact NH1-OE1 3.22Å
106	G	97.1	Very high	94.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-27.4	172.4	0	0	0	0	0	113.8	N102 Y103 G111 F149	N102-G106 PolarHBondContact O-N 2.81Å; Y103-G106 CarbonylContact O-C 3.57Å; Y103-G106 WeakPolarHBondContact O-CA 3.47Å; Y103-G106 PolarHBondContact O-N 3.29Å; G106-G111 VanDerWaalsContact O-CA 3.27Å; G106-G111 WeakPolarHBondContact O-CA 3.41Å; G106-F149 WeakPolarHBondContact O-CA 3.28Å; G106-F149 WeakPolarHBondContact O-CB 3.36Å; G106-F149 PolarHBondContact O-N 3.39Å
107	H	98.2	Very high	95	Very high	11 Å²	11	49 Å²	49	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-99.1	-50.4	-174.3	-166	-87.6	0	0	0	113.5	Y103 A104 R105 G148 L152 E155	Y103-H107 HydrophobicContact CD1-CB 4.27Å; Y103-H107 HydrophobicContact CE1-CB 3.89Å; Y103-H107 AromaticContact CZ-CD2 3.91Å; Y103-H107 WeakPolarHBondContact O-CB 3.3Å; Y103-H107 PolarHBondContact O-N 2.9Å; Y103-H107 PolarHBondContact OH-CD2 3.13Å; A104-H107 PolarHBondContact O-N 3.4Å; R105-H107 VanDerWaalsContact C-N 3.31Å; H107-G148 PolarHBondContact CD2-O 3.46Å; H107-G148 VanDerWaalsContact CD2-O 3.28Å; H107-L152 PolarHBondContact CD2-N 3Å; H107-E155 IonicContact CE1-OE1 2.86Å; H107-E155 IonicContact NE2-OE1 3.21Å; H107-E155 PolarHBondContact NE2-OE1 3.32Å
108	Y	97.3	Very high	95.5	Very high	65 Å²	65	44 Å²	44	26%	0.255	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-27.6	-167.2	-64.7	-70.5	0	0	0	114.2	Y103 A104 K112 M413 E417	Y103-Y108 HydrophobicContact CE1-CE2 4.41Å; A104-Y108 HydrophobicContact CB-CD2 3.99Å; A104-Y108 WeakPolarHBondContact O-CB 3.22Å; A104-Y108 PolarHBondContact O-N 2.89Å; Y108-K112 WeakPolarHBondContact O-CD 3.45Å; Y108-M413 HydrophobicContact CD2-CB 3.82Å; Y108-M413 HydrophobicContact CD2-CG 4.34Å; Y108-M413 HydrophobicContact CE2-CB 3.64Å; Y108-M413 HydrophobicContact CE2-CG 3.66Å; Y108-M413 HydrophobicContact CE2-SD 4.39Å; Y108-E417 VanDerWaalsContact OH-CD 3.22Å; Y108-E417 PolarHBondContact OH-OE1 3.05Å; Y108-E417 PolarHBondContact OH-OE2 2.95Å
109	T	96.1	Very high	96	Very high	42 Å²	42	41.5 Å²	41.5	26%	0.258	21%	0.214	S	C	.	.	S	Bend	trans	-117.7	-93.4	-173.5	61.1	0	0	0	0	112.6	R105 G111 K112 E113 E411	R105-T109 WeakPolarHBondContact CA-OG1 3.26Å; R105-T109 PolarHBondContact O-OG1 3.12Å; T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 3.32Å; T109-K112 VanDerWaalsContact O-CB 3.29Å; T109-K112 WeakPolarHBondContact O-CB 3.41Å; T109-K112 PolarHBondContact O-N 3.43Å; T109-E113 PolarHBondContact O-N 2.85Å; T109-E411 WeakPolarHBondContact CB-OE2 3.34Å; T109-E411 HydrophobicContact CG2-CB 4.16Å; T109-E411 WeakPolarHBondContact CG2-O 3.49Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.4Å; T109-E411 PolarHBondContact OG1-OE2 3.36Å
110	V	95.5	Very high	96.4	Very high	12 Å²	12	43.6 Å²	43.6	7%	0.073	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-42.2	-171.5	-178.4	0	0	0	0	111.8	L70 E97 R105 K112 E113	L70-V110 HydrophobicContact CB-CG1 4.13Å; L70-V110 HydrophobicContact CD1-CB 4.31Å; L70-V110 HydrophobicContact CD1-CG1 4.05Å; L70-V110 HydrophobicContact CD2-CG1 4.26Å; L70-V110 HydrophobicContact CG-CG1 4.36Å; E97-V110 HydrophobicContact CB-CG1 4.23Å; E97-V110 HydrophobicContact CB-CG2 4.41Å; R105-V110 HydrophobicContact CG-CB 4.26Å; R105-V110 HydrophobicContact CG-CG2 3.67Å; R105-V110 PolarHBondContact O-N 3.48Å; V110-K112 VanDerWaalsContact C-N 3.32Å; V110-K112 PolarHBondContact O-N 3.19Å; V110-E113 PolarHBondContact O-N 2.76Å
111	G	96	Very high	96.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.1	-32.3	177.4	0	0	0	0	0	113.5	R105 G106 T109 E113 S114 I115 F149	R105-G111 PolarHBondContact O-N 3.34Å; G106-G111 VanDerWaalsContact O-CA 3.27Å; G106-G111 WeakPolarHBondContact O-CA 3.41Å; T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 3.32Å; G111-E113 PolarHBondContact O-N 3.38Å; G111-S114 PolarHBondContact O-N 2.93Å; G111-I115 PolarHBondContact O-N 2.78Å; G111-F149 VanDerWaalsContact O-CE2 3.26Å; G111-F149 WeakPolarHBondContact O-CE2 3.42Å
112	K	95.8	Very high	97.1	Very high	128 Å²	128	39.2 Å²	39.2	56%	0.557	19%	0.19	S	C	*	.	H	α-helix	trans	-64.7	-28.1	174.7	-171.2	175.4	-178	172.7	0	112.7	Y108 T109 V110 S114 I115 L152	Y108-K112 WeakPolarHBondContact O-CD 3.45Å; T109-K112 VanDerWaalsContact O-CB 3.29Å; T109-K112 WeakPolarHBondContact O-CB 3.41Å; T109-K112 PolarHBondContact O-N 3.43Å; V110-K112 VanDerWaalsContact C-N 3.32Å; V110-K112 PolarHBondContact O-N 3.19Å; K112-S114 VanDerWaalsContact C-N 3.31Å; K112-I115 VanDerWaalsContact O-CG2 3.3Å; K112-I115 WeakPolarHBondContact O-CG2 3.33Å; K112-L152 HydrophobicContact CB-CD2 4.43Å
113	E	95.1	Very high	97.2	Very high	159 Å²	159	43.7 Å²	43.7	74%	0.743	21%	0.206	S	C	*	.	H	α-helix	trans	-72.8	-26.3	172.9	-60.8	-175.9	174.6	0	0	112.6	T109 V110 G111	T109-E113 PolarHBondContact O-N 2.85Å; V110-E113 PolarHBondContact O-N 2.76Å; G111-E113 PolarHBondContact O-N 3.38Å
114	S	95.5	Very high	97.1	Very high	21 Å²	21	47.9 Å²	47.9	15%	0.147	23%	0.225	C	C	.	.	H	α-helix	trans	-95.4	-18.8	-175.8	-60.7	0	0	0	0	113.8	G111 K112 D116 L117 V118	G111-S114 PolarHBondContact O-N 2.93Å; K112-S114 VanDerWaalsContact C-N 3.31Å; S114-D116 PolarHBondContact O-N 2.99Å; S114-L117 PolarHBondContact O-N 3.08Å; S114-V118 PolarHBondContact O-N 2.63Å
115	I	97.6	Very high	97.1	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.036	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-43.9	-170.5	-169.5	58.3	0	0	0	113.5	G111 K112 L117 V118 L119 F149 L152 L153 R156	G111-I115 PolarHBondContact O-N 2.78Å; K112-I115 VanDerWaalsContact O-CG2 3.3Å; K112-I115 WeakPolarHBondContact O-CG2 3.33Å; I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 2.66Å; I115-V118 PolarHBondContact O-N 3.24Å; I115-V118 VanDerWaalsContact O-N 3.16Å; I115-L119 HydrophobicContact CD1-CD1 4.32Å; I115-L119 HydrophobicContact CD1-CG 4.17Å; I115-L119 HydrophobicContact CG1-CD1 3.9Å; I115-L119 HydrophobicContact CG1-CG 4.21Å; I115-L119 WeakPolarHBondContact O-CG 3.29Å; I115-L119 PolarHBondContact O-N 2.81Å; I115-F149 HydrophobicContact CB-CE2 4.11Å; I115-F149 HydrophobicContact CD1-CE2 3.91Å; I115-F149 HydrophobicContact CD1-CZ 3.98Å; I115-L152 HydrophobicContact CB-CD2 3.9Å; I115-L152 HydrophobicContact CD1-CD2 4.33Å; I115-L152 HydrophobicContact CD1-CG 4.23Å; I115-L152 HydrophobicContact CG1-CD2 4.02Å; I115-L152 HydrophobicContact CG1-CG 4.14Å; I115-L152 HydrophobicContact CG2-CD2 4.3Å; I115-L153 HydrophobicContact CD1-CB 4.2Å; I115-L153 HydrophobicContact CD1-CD1 3.94Å; I115-R156 HydrophobicContact CD1-CG 4.34Å; I115-R156 HydrophobicContact CG1-CG 4.09Å
116	D	97.6	Very high	97.1	Very high	125 Å²	125	47 Å²	47	67%	0.668	22%	0.224	S	C	*	.	H	α-helix	trans	-64	-37.3	-177.8	-71	-22.2	0	0	0	111.9	S114 D120	S114-D116 PolarHBondContact O-N 2.99Å; D116-D120 PolarHBondContact O-N 2.97Å
117	L	97.2	Very high	97.1	Very high	84 Å²	84	52.2 Å²	52.2	44%	0.44	25%	0.252	S	S	.	.	H	α-helix	trans	-64.9	-44.9	175.5	174.3	62.6	0	0	0	110.9	I93 S114 I115 D120 R121	I93-L117 HydrophobicContact CG2-CD2 3.81Å; I93-L117 HydrophobicContact CG2-CG 4.39Å; S114-L117 PolarHBondContact O-N 3.08Å; I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 2.66Å; L117-D120 PolarHBondContact O-N 2.83Å; L117-R121 WeakPolarHBondContact O-CG 3.31Å; L117-R121 PolarHBondContact O-N 3.27Å; L117-R121 VanDerWaalsContact O-N 3.16Å
118	V	98.2	Very high	96.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-46.2	178.6	170.5	0	0	0	0	110.8	I68 I93 S114 I115 D120 R121 I122 F149 L153	I68-V118 HydrophobicContact CD1-CB 4.36Å; I68-V118 HydrophobicContact CD1-CG1 3.45Å; I68-V118 VanDerWaalsContact CD1-CG1 3.45Å; I68-V118 HydrophobicContact CD1-CG2 3.93Å; I68-V118 HydrophobicContact CG1-CG1 4.39Å; I68-V118 HydrophobicContact CG1-CG2 4.05Å; I68-V118 HydrophobicContact CG2-CG2 3.95Å; I93-V118 HydrophobicContact CD1-CB 4.44Å; I93-V118 HydrophobicContact CD1-CG2 3.81Å; I93-V118 HydrophobicContact CG2-CG2 4.25Å; S114-V118 PolarHBondContact O-N 2.63Å; I115-V118 PolarHBondContact O-N 3.24Å; I115-V118 VanDerWaalsContact O-N 3.16Å; V118-D120 PolarHBondContact O-N 3.12Å; V118-R121 PolarHBondContact O-N 2.99Å; V118-R121 VanDerWaalsContact O-N 3.14Å; V118-I122 HydrophobicContact CG1-CD1 3.83Å; V118-I122 HydrophobicContact CG1-CG1 4.42Å; V118-I122 WeakPolarHBondContact O-CG1 3.39Å; V118-I122 PolarHBondContact O-N 3.41Å; V118-F149 HydrophobicContact CB-CZ 4.09Å; V118-F149 HydrophobicContact CG1-CE1 4.49Å; V118-F149 HydrophobicContact CG1-CZ 4.28Å; V118-F149 HydrophobicContact CG2-CE1 4.16Å; V118-F149 HydrophobicContact CG2-CZ 3.72Å; V118-L153 HydrophobicContact CG1-CD1 3.99Å
119	L	98.2	Very high	96.8	Very high	24 Å²	24	52.5 Å²	52.5	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-40.5	178.2	-69.9	174	0	0	0	112.2	I115 R121 I122 R123 L153 R156 L157	I115-L119 HydrophobicContact CD1-CD1 4.32Å; I115-L119 HydrophobicContact CD1-CG 4.17Å; I115-L119 HydrophobicContact CG1-CD1 3.9Å; I115-L119 HydrophobicContact CG1-CG 4.21Å; I115-L119 WeakPolarHBondContact O-CG 3.29Å; I115-L119 PolarHBondContact O-N 2.81Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 3.24Å; L119-I122 PolarHBondContact O-N 3.21Å; L119-R123 VanDerWaalsContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CB 3.25Å; L119-R123 PolarHBondContact O-N 2.79Å; L119-L153 HydrophobicContact CD2-CD1 4.02Å; L119-R156 HydrophobicContact CD1-CB 3.82Å; L119-R156 HydrophobicContact CD1-CG 4.03Å; L119-R156 HydrophobicContact CD2-CB 3.87Å; L119-R156 HydrophobicContact CG-CB 4.42Å; L119-L157 HydrophobicContact CD2-CD2 4.43Å
120	D	98.1	Very high	96.6	Very high	47 Å²	47	54.3 Å²	54.3	25%	0.251	28%	0.282	S	S	.	.	H	α-helix	trans	-60.4	-39.3	173.8	177	66.3	0	0	0	111.8	D116 L117 V118 R123 K124	D116-D120 PolarHBondContact O-N 2.97Å; L117-D120 PolarHBondContact O-N 2.83Å; V118-D120 PolarHBondContact O-N 3.12Å; D120-R123 PolarHBondContact O-N 2.92Å; D120-R123 IonicContact OD1-CZ 2.66Å; D120-R123 IonicContact OD1-NE 2.86Å; D120-R123 IonicContact OD1-NH2 3.67Å; D120-R123 PolarHBondContact OD1-NH2 2.74Å; D120-K124 WeakPolarHBondContact O-CG 3.37Å; D120-K124 PolarHBondContact O-N 3.14Å; D120-K124 WeakPolarHBondContact OD2-CE 3.49Å; D120-K124 IonicContact OD2-NZ 3.22Å; D120-K124 PolarHBondContact OD2-NZ 3.28Å
121	R	97.6	Very high	96.4	Very high	41 Å²	41	55.1 Å²	55.1	16%	0.155	29%	0.293	C	S	.	.	H	α-helix	trans	-69.8	-43.1	178.6	-67.9	-64	-175.5	-105.4	12.9	112.4	E90 I93 L117 V118 L119 R123 K124 L125	E90-R121 VanDerWaalsContact CD-NH2 3.29Å; E90-R121 WeakPolarHBondContact O-CD 3.46Å; E90-R121 PolarHBondContact O-NE 3.14Å; E90-R121 VanDerWaalsContact O-NE 3.15Å; E90-R121 IonicContact OE1-NH2 3.76Å; E90-R121 IonicContact OE2-CZ 3.92Å; E90-R121 IonicContact OE2-NE 2.62Å; E90-R121 IonicContact OE2-NH1 2.81Å; E90-R121 IonicContact OE2-NH2 3.6Å; E90-R121 PolarHBondContact OE2-NH2 3.1Å; E90-R121 VanDerWaalsContact OE2-NH2 3.17Å; I93-R121 HydrophobicContact CD1-CB 4.12Å; I93-R121 HydrophobicContact CD1-CG 3.87Å; L117-R121 WeakPolarHBondContact O-CG 3.31Å; L117-R121 PolarHBondContact O-N 3.27Å; L117-R121 VanDerWaalsContact O-N 3.16Å; V118-R121 PolarHBondContact O-N 2.99Å; V118-R121 VanDerWaalsContact O-N 3.14Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 3.24Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R121-K124 PolarHBondContact O-N 3.36Å; R121-L125 PolarHBondContact O-N 2.89Å; R121-L125 VanDerWaalsContact O-N 3.13Å
122	I	98.3	Very high	96.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-46.6	173.2	-69.2	173.5	0	0	0	109.7	V7 V66 V118 L119 K124 L125 T126 F135 L153 L157 Y161	V7-I122 HydrophobicContact CG1-CD1 4.49Å; V7-I122 HydrophobicContact CG2-CD1 4.11Å; V66-I122 HydrophobicContact CG2-CG1 4.07Å; V118-I122 HydrophobicContact CG1-CD1 3.83Å; V118-I122 HydrophobicContact CG1-CG1 4.42Å; V118-I122 WeakPolarHBondContact O-CG1 3.39Å; V118-I122 PolarHBondContact O-N 3.41Å; L119-I122 PolarHBondContact O-N 3.21Å; I122-K124 PolarHBondContact O-N 3.28Å; I122-L125 CarbonylContact O-C 3.53Å; I122-L125 WeakPolarHBondContact O-CA 3.16Å; I122-L125 WeakPolarHBondContact O-CB 3.48Å; I122-L125 PolarHBondContact O-N 3.49Å; I122-T126 HydrophobicContact CG2-CG2 4.14Å; I122-T126 WeakPolarHBondContact O-CG2 3.41Å; I122-T126 PolarHBondContact O-N 2.98Å; I122-F135 HydrophobicContact CG2-CE1 3.62Å; I122-F135 HydrophobicContact CG2-CZ 4.16Å; I122-L153 HydrophobicContact CD1-CD1 3.89Å; I122-L157 HydrophobicContact CD1-CD2 4.11Å; I122-L157 HydrophobicContact CG2-CD2 4.07Å; I122-Y161 HydrophobicContact CG2-CE2 4.25Å
123	R	97.9	Very high	96.2	Very high	102 Å²	102	51.3 Å²	51.3	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-56.5	-45.4	177.6	-174.2	-168.2	62	75.5	0.2	112.8	L119 D120 R121 L125 T126 D127 Y161	L119-R123 VanDerWaalsContact O-CB 3.28Å; L119-R123 WeakPolarHBondContact O-CB 3.25Å; L119-R123 PolarHBondContact O-N 2.79Å; D120-R123 PolarHBondContact O-N 2.92Å; D120-R123 IonicContact OD1-CZ 2.66Å; D120-R123 IonicContact OD1-NE 2.86Å; D120-R123 IonicContact OD1-NH2 3.67Å; D120-R123 PolarHBondContact OD1-NH2 2.74Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 2.96Å; R123-T126 WeakPolarHBondContact CA-OG1 3.41Å; R123-T126 PolarHBondContact O-N 2.77Å; R123-T126 VanDerWaalsContact O-N 3.17Å; R123-T126 PolarHBondContact O-OG1 2.91Å; R123-D127 IonicContact CZ-OD2 3.76Å; R123-D127 IonicContact NH1-OD2 2.98Å; R123-D127 PolarHBondContact NH1-OD2 3.32Å; R123-D127 WeakPolarHBondContact O-CB 3.42Å; R123-D127 PolarHBondContact O-N 3.44Å; R123-Y161 WeakPolarHBondContact CA-OH 3.35Å
124	K	97.6	Very high	96.2	Very high	90 Å²	90	43.8 Å²	43.8	39%	0.391	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-38.6	175.9	-73.2	173.8	-179.2	177.4	0	112.5	D120 R121 I122 A128	D120-K124 WeakPolarHBondContact O-CG 3.37Å; D120-K124 PolarHBondContact O-N 3.14Å; D120-K124 WeakPolarHBondContact OD2-CE 3.49Å; D120-K124 IonicContact OD2-NZ 3.22Å; D120-K124 PolarHBondContact OD2-NZ 3.28Å; R121-K124 PolarHBondContact O-N 3.36Å; I122-K124 PolarHBondContact O-N 3.28Å; K124-A128 WeakPolarHBondContact O-CB 3.12Å; K124-A128 PolarHBondContact O-N 3.44Å
125	L	97.2	Very high	96.3	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.073	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-40.7	173.9	-75.6	175.7	0	0	0	111.8	I5 V66 R121 I122 R123 A128 C129	I5-L125 HydrophobicContact CD1-CB 3.64Å; I5-L125 HydrophobicContact CG1-CB 4.17Å; I5-L125 HydrophobicContact CG2-CD1 4.07Å; V66-L125 HydrophobicContact CG2-CD1 3.52Å; R121-L125 PolarHBondContact O-N 2.89Å; R121-L125 VanDerWaalsContact O-N 3.13Å; I122-L125 CarbonylContact O-C 3.53Å; I122-L125 WeakPolarHBondContact O-CA 3.16Å; I122-L125 WeakPolarHBondContact O-CB 3.48Å; I122-L125 PolarHBondContact O-N 3.49Å; R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 2.96Å; L125-A128 PolarHBondContact O-N 3.41Å; L125-C129 PolarHBondContact O-N 2.62Å; L125-C129 PolarHBondContact O-SG 2.94Å
126	T	96.8	Very high	96.3	Very high	16 Å²	16	42.5 Å²	42.5	10%	0.098	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-41.2	177.1	62.4	0	0	0	0	111.8	I5 I122 R123 A128 C129 L132 F135 Y161	I5-T126 HydrophobicContact CD1-CG2 3.55Å; I122-T126 HydrophobicContact CG2-CG2 4.14Å; I122-T126 WeakPolarHBondContact O-CG2 3.41Å; I122-T126 PolarHBondContact O-N 2.98Å; R123-T126 WeakPolarHBondContact CA-OG1 3.41Å; R123-T126 PolarHBondContact O-N 2.77Å; R123-T126 VanDerWaalsContact O-N 3.17Å; R123-T126 PolarHBondContact O-OG1 2.91Å; T126-A128 PolarHBondContact O-N 3.01Å; T126-C129 WeakPolarHBondContact O-CB 3.37Å; T126-C129 PolarHBondContact O-N 3.48Å; T126-L132 HydrophobicContact CG2-CD2 3.61Å; T126-F135 HydrophobicContact CG2-CE1 4.21Å; T126-F135 HydrophobicContact CG2-CZ 4.07Å; T126-Y161 HydrophobicContact CG2-CD1 4.46Å; T126-Y161 HydrophobicContact CG2-CE1 3.67Å; T126-Y161 HydrophobicContact CG2-CE2 4.49Å; T126-Y161 PolarHBondContact OG1-OH 3.38Å
127	D	96.4	Very high	96.4	Very high	108 Å²	108	36.5 Å²	36.5	58%	0.578	20%	0.202	S	C	*	.	H	α-helix	trans	-65.2	-28.6	178.7	-68.3	-14.9	0	0	0	111.7	R123 C129	R123-D127 IonicContact CZ-OD2 3.76Å; R123-D127 IonicContact NH1-OD2 2.98Å; R123-D127 PolarHBondContact NH1-OD2 3.32Å; R123-D127 WeakPolarHBondContact O-CB 3.42Å; R123-D127 PolarHBondContact O-N 3.44Å; D127-C129 VanDerWaalsContact C-N 3.31Å
128	A	94.6	Very high	96.4	Very high	63 Å²	63	32.6 Å²	32.6	52%	0.521	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.6	174.8	0	0	0	0	0	113.7	R64 K124 L125 T126	R64-A128 PolarHBondContact NH1-O 2.63Å; K124-A128 WeakPolarHBondContact O-CB 3.12Å; K124-A128 PolarHBondContact O-N 3.44Å; L125-A128 PolarHBondContact O-N 3.41Å; T126-A128 PolarHBondContact O-N 3.01Å
129	C	95	Very high	96.4	Very high	19 Å²	19	32.6 Å²	32.6	13%	0.128	18%	0.181	C	C	.	.			trans	-91.5	135.6	173.9	-63.9	0	0	0	0	110.5	E3 R64 L125 T126 D127 G131 L132	E3-C129 HydrophobicContact CB-CB 4.11Å; E3-C129 WeakPolarHBondContact OE1-CA 3.48Å; R64-C129 PolarHBondContact NH1-SG 2.83Å; R64-C129 VanDerWaalsContact NH1-SG 3.43Å; L125-C129 PolarHBondContact O-N 2.62Å; L125-C129 PolarHBondContact O-SG 2.94Å; T126-C129 WeakPolarHBondContact O-CB 3.37Å; T126-C129 PolarHBondContact O-N 3.48Å; D127-C129 VanDerWaalsContact C-N 3.31Å; C129-G131 VanDerWaalsContact C-N 3.34Å; C129-L132 HydrophobicContact CB-CB 4.18Å
130	S	92.6	Very high	96.4	Very high	80 Å²	80	32.1 Å²	32.1	56%	0.559	18%	0.181	S	C	*	.	S	Bend	trans	-72.8	-28.4	170.5	71.6	0	0	0	0	112.9	E3	E3-S130 PolarHBondContact OE1-N 3.22Å; E3-S130 WeakPolarHBondContact OE2-CA 3.36Å; E3-S130 WeakPolarHBondContact OE2-CB 3.37Å; E3-S130 PolarHBondContact OE2-N 3.06Å; E3-S130 PolarHBondContact OE2-OG 2.66Å
131	G	91.5	Very high	96.2	Very high	29 Å²	29	29.9 Å²	29.9	30%	0.299	17%	0.169	S	C	.	.	S	Bend	trans	-164.6	80	-176.6	0	0	0	0	0	111.1	E3 C129 Q133	E3-G131 PolarHBondContact N-O 3.25Å; E3-G131 PolarHBondContact OE2-N 3.35Å; C129-G131 VanDerWaalsContact C-N 3.34Å; G131-Q133 PolarHBondContact O-N 2.7Å
132	L	94.4	Very high	96	Very high	15 Å²	15	28 Å²	28	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	123.5	174	-179.5	70.6	0	0	0	110.6	E3 I5 T126 C129 G134 F135 K164	E3-L132 CarbonylContact O-C 3.43Å; E3-L132 WeakPolarHBondContact O-CA 3.3Å; I5-L132 HydrophobicContact CB-CD1 4.45Å; I5-L132 HydrophobicContact CD1-CD1 3.78Å; I5-L132 HydrophobicContact CG1-CD1 3.87Å; T126-L132 HydrophobicContact CG2-CD2 3.61Å; C129-L132 HydrophobicContact CB-CB 4.18Å; L132-G134 WeakPolarHBondContact CD1-O 3.43Å; L132-F135 HydrophobicContact CD2-CE1 4.33Å; L132-F135 HydrophobicContact CD2-CE2 4.22Å; L132-F135 HydrophobicContact CD2-CZ 3.8Å; L132-K164 HydrophobicContact CD2-CD 4.39Å; L132-K164 HydrophobicContact CD2-CG 4.19Å; L132-K164 HydrophobicContact CG-CD 4.46Å; L132-K164 WeakPolarHBondContact O-CD 3.46Å; L132-K164 WeakPolarHBondContact O-CE 3.42Å; L132-K164 PolarHBondContact O-NZ 3.02Å
133	Q	92.8	Very high	95.7	Very high	34 Å²	34	28.6 Å²	28.6	16%	0.159	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-44.9	171.6	-68.8	-163.5	-37.5	0	0	111.9	R2 E3 G131 S165 D251 L252	R2-Q133 HydrophobicContact CB-CG 4.17Å; R2-Q133 VanDerWaalsContact CG-NE2 3.28Å; E3-Q133 PolarHBondContact O-N 3.47Å; G131-Q133 PolarHBondContact O-N 2.7Å; Q133-S165 PolarHBondContact O-N 2.9Å; Q133-D251 PolarHBondContact NE2-OD1 3.46Å; Q133-D251 PolarHBondContact NE2-OD2 3.3Å; Q133-D251 PolarHBondContact OE1-OD1 3.14Å; Q133-L252 HydrophobicContact CB-CD1 4.3Å
134	G	95.3	Very high	95.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-171.2	-174.5	0	0	0	0	0	114.6	I5 L132 S165	I5-G134 PolarHBondContact N-O 2.88Å; I5-G134 VanDerWaalsContact N-O 3.15Å; L132-G134 WeakPolarHBondContact CD1-O 3.43Å; G134-S165 CarbonylContact C-O 3.59Å; G134-S165 WeakPolarHBondContact CA-O 3.4Å
135	F	97.5	Very high	95.6	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.5	179.9	-57.4	-81.8	0	0	0	109.7	I5 V7 I122 T126 L132 I137 L157 Y161 K164 S165 K166 L167	I5-F135 HydrophobicContact CB-CD1 3.94Å; I5-F135 HydrophobicContact CB-CE1 4.18Å; I5-F135 HydrophobicContact CD1-CE1 4.06Å; I5-F135 HydrophobicContact CG2-CD1 4.22Å; I5-F135 HydrophobicContact CG2-CE1 4.45Å; I5-F135 CarbonylContact O-C 3.06Å; I5-F135 VanDerWaalsContact O-CA 3.29Å; I5-F135 WeakPolarHBondContact O-CA 3.47Å; V7-F135 HydrophobicContact CG2-CD1 4.42Å; I122-F135 HydrophobicContact CG2-CE1 3.62Å; I122-F135 HydrophobicContact CG2-CZ 4.16Å; T126-F135 HydrophobicContact CG2-CE1 4.21Å; T126-F135 HydrophobicContact CG2-CZ 4.07Å; L132-F135 HydrophobicContact CD2-CE1 4.33Å; L132-F135 HydrophobicContact CD2-CE2 4.22Å; L132-F135 HydrophobicContact CD2-CZ 3.8Å; F135-I137 HydrophobicContact CB-CD1 3.92Å; F135-I137 HydrophobicContact CB-CG1 4.37Å; F135-L157 HydrophobicContact CE1-CD2 4.28Å; F135-L157 HydrophobicContact CE2-CD2 4.35Å; F135-L157 HydrophobicContact CG-CD1 4.4Å; F135-L157 HydrophobicContact CZ-CD2 4.1Å; F135-Y161 HydrophobicContact CE2-CD2 4.04Å; F135-Y161 AromaticContact CE2-CG 3.89Å; F135-Y161 HydrophobicContact CE2-CG 3.89Å; F135-Y161 HydrophobicContact CZ-CD1 4.31Å; F135-Y161 AromaticContact CZ-CD2 3.76Å; F135-Y161 HydrophobicContact CZ-CD2 3.76Å; F135-Y161 HydrophobicContact CZ-CE2 4.16Å; F135-Y161 AromaticContact CZ-CG 3.84Å; F135-Y161 HydrophobicContact CZ-CG 3.84Å; F135-K164 HydrophobicContact CD2-CB 4.38Å; F135-K164 HydrophobicContact CE2-CB 4.05Å; F135-S165 PolarHBondContact N-O 2.84Å; F135-K166 HydrophobicContact CB-CG 4.46Å; F135-K166 HydrophobicContact CD2-CG 4.16Å; F135-L167 PolarHBondContact O-N 3.37Å
136	L	97.6	Very high	95.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108.2	169.1	-54.6	-178.2	0	0	0	107	I5 S6 V7 F52 F138 L167 F169 T239 L252	I5-L136 PolarHBondContact O-N 2.72Å; S6-L136 CarbonylContact C-O 3.53Å; S6-L136 VanDerWaalsContact CA-O 3.31Å; S6-L136 WeakPolarHBondContact CA-O 3.49Å; V7-L136 PolarHBondContact N-O 3.05Å; F52-L136 HydrophobicContact CE1-CD1 4.22Å; F52-L136 HydrophobicContact CZ-CD1 3.82Å; L136-F138 HydrophobicContact CB-CE2 3.64Å; L136-F138 HydrophobicContact CB-CZ 4.19Å; L136-F138 WeakPolarHBondContact O-CD2 3.39Å; L136-F138 WeakPolarHBondContact O-CE2 3.38Å; L136-L167 CarbonylContact C-O 3.25Å; L136-L167 WeakPolarHBondContact CA-O 3.47Å; L136-L167 HydrophobicContact CD2-CB 4.13Å; L136-L167 HydrophobicContact CD2-CD1 4.13Å; L136-F169 HydrophobicContact CB-CD2 4.49Å; L136-F169 HydrophobicContact CB-CE2 4.09Å; L136-F169 HydrophobicContact CD2-CE2 4.14Å; L136-F169 HydrophobicContact CG-CE2 4.46Å; L136-T239 HydrophobicContact CD1-CG2 3.73Å; L136-L252 HydrophobicContact CD2-CD1 4.25Å; L136-L252 HydrophobicContact CD2-CD2 4.49Å
137	I	98.5	Very high	95.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.2	-174.5	-56.1	99.2	0	0	0	108.9	V7 F135 T150 M154 K166 L167 E168 F169	V7-I137 CarbonylContact O-C 3.59Å; V7-I137 WeakPolarHBondContact O-CA 3.3Å; F135-I137 HydrophobicContact CB-CD1 3.92Å; F135-I137 HydrophobicContact CB-CG1 4.37Å; I137-T150 HydrophobicContact CG2-CG2 3.72Å; I137-M154 HydrophobicContact CD1-CE 4.34Å; I137-M154 HydrophobicContact CD1-SD 3.69Å; I137-M154 HydrophobicContact CG1-SD 3.91Å; I137-K166 HydrophobicContact CD1-CB 3.78Å; I137-K166 HydrophobicContact CD1-CG 4.23Å; I137-L167 PolarHBondContact N-O 3.04Å; I137-E168 HydrophobicContact CB-CG 4.12Å; I137-E168 HydrophobicContact CD1-CG 4.4Å; I137-E168 CarbonylContact O-C 3.4Å; I137-E168 WeakPolarHBondContact O-CA 3.41Å; I137-F169 PolarHBondContact O-N 3.15Å
138	F	98.7	Very high	95.6	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.3	-179.3	-60.5	-102.7	0	0	0	108.8	V7 H8 V9 G13 I16 L136 F169 V235	V7-F138 PolarHBondContact O-N 3.45Å; H8-F138 AromaticContact CE1-CD2 3.16Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.43Å; H8-F138 AromaticContact CE1-CE2 3.42Å; H8-F138 VanDerWaalsContact CE1-CE2 3.42Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.47Å; H8-F138 AromaticContact CE1-CG 3.54Å; H8-F138 AromaticContact CE1-CZ 3.99Å; H8-F138 WeakPolarHBondContact ND1-CB 3.47Å; H8-F138 AromaticContact ND1-CD2 3.33Å; H8-F138 VanDerWaalsContact ND1-CD2 3.33Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.34Å; H8-F138 AromaticContact ND1-CG 3.37Å; H8-F138 WeakPolarHBondContact ND1-CG 3.48Å; H8-F138 AromaticContact NE2-CD2 3.97Å; V9-F138 PolarHBondContact N-O 3.34Å; G13-F138 VanDerWaalsContact CA-O 3.29Å; G13-F138 WeakPolarHBondContact CA-O 3.22Å; I16-F138 HydrophobicContact CG2-CD1 3.79Å; I16-F138 HydrophobicContact CG2-CE1 4.33Å; L136-F138 HydrophobicContact CB-CE2 3.64Å; L136-F138 HydrophobicContact CB-CZ 4.19Å; L136-F138 WeakPolarHBondContact O-CD2 3.39Å; L136-F138 WeakPolarHBondContact O-CE2 3.38Å; F138-F169 HydrophobicContact CD1-CB 3.52Å; F138-F169 AromaticContact CD1-CD2 3.9Å; F138-F169 HydrophobicContact CD1-CD2 3.9Å; F138-F169 AromaticContact CD1-CG 3.9Å; F138-F169 HydrophobicContact CD1-CG 3.9Å; F138-F169 HydrophobicContact CD2-CD2 4.43Å; F138-F169 HydrophobicContact CE1-CB 3.8Å; F138-F169 HydrophobicContact CE1-CD1 4.42Å; F138-F169 AromaticContact CE1-CD2 3.43Å; F138-F169 HydrophobicContact CE1-CD2 3.43Å; F138-F169 VanDerWaalsContact CE1-CD2 3.43Å; F138-F169 HydrophobicContact CE1-CE2 4.09Å; F138-F169 AromaticContact CE1-CG 3.62Å; F138-F169 HydrophobicContact CE1-CG 3.62Å; F138-F169 HydrophobicContact CE2-CD2 4.02Å; F138-F169 HydrophobicContact CE2-CE2 4.45Å; F138-F169 HydrophobicContact CG-CB 4.18Å; F138-F169 HydrophobicContact CG-CD2 4.38Å; F138-F169 AromaticContact CZ-CD2 3.5Å; F138-F169 HydrophobicContact CZ-CD2 3.5Å; F138-F169 VanDerWaalsContact CZ-CD2 3.5Å; F138-F169 AromaticContact CZ-CE2 3.82Å; F138-F169 HydrophobicContact CZ-CE2 3.82Å; F138-F169 HydrophobicContact CZ-CG 4.18Å; F138-V235 HydrophobicContact CE1-CB 4.41Å; F138-V235 HydrophobicContact CE1-CG1 3.75Å; F138-V235 HydrophobicContact CE1-CG2 3.73Å; F138-V235 HydrophobicContact CZ-CG1 3.69Å
139	H	98.2	Very high	95.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-177.2	-174.2	75.4	131.6	0	0	0	112.2	V9 F141 G146 T150 E168 F169 I171	V9-H139 HydrophobicContact CB-CB 4.36Å; H139-F141 AromaticContact CE1-CD2 3.67Å; H139-F141 AromaticContact CE1-CE2 3.44Å; H139-F141 VanDerWaalsContact CE1-CE2 3.44Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.4Å; H139-F141 AromaticContact NE2-CD2 3.96Å; H139-F141 AromaticContact NE2-CE2 3.5Å; H139-G146 VanDerWaalsContact CB-O 3.31Å; H139-G146 WeakPolarHBondContact CB-O 3.38Å; H139-G146 PolarHBondContact ND1-O 3.42Å; H139-T150 HydrophobicContact CB-CG2 4.25Å; H139-E168 IonicContact CE1-OE2 3.67Å; H139-E168 PolarHBondContact CE1-OE2 2.85Å; H139-E168 IonicContact NE2-OE2 2.98Å; H139-E168 PolarHBondContact NE2-OE2 3.35Å; H139-F169 PolarHBondContact N-O 3.5Å; H139-I171 PolarHBondContact O-N 3.38Å
140	S	96.8	Very high	96	Very high	15 Å²	15	9.8 Å²	9.8	11%	0.105	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.8	173	176.8	0	0	0	0	110.2	G142 G146 S147 I171	S140-G142 PolarHBondContact O-N 2.84Å; S140-G142 PolarHBondContact OG-N 2.91Å; S140-G146 CarbonylContact O-C 3.56Å; S140-S147 PolarHBondContact O-N 3.04Å; S140-I171 WeakPolarHBondContact CA-O 3.25Å; S140-I171 PolarHBondContact OG-O 2.84Å; S140-I171 VanDerWaalsContact OG-O 3.1Å
141	F	95.7	Very high	96.2	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.6	176.9	-81	-132.9	0	0	0	112.1	H139 S147 A170 I171 Y172 N186 S187 T190 T191 M203 F267	H139-F141 AromaticContact CE1-CD2 3.67Å; H139-F141 AromaticContact CE1-CE2 3.44Å; H139-F141 VanDerWaalsContact CE1-CE2 3.44Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.4Å; H139-F141 AromaticContact NE2-CD2 3.96Å; H139-F141 AromaticContact NE2-CE2 3.5Å; F141-S147 VanDerWaalsContact O-CB 3.26Å; F141-S147 WeakPolarHBondContact O-CB 3.26Å; F141-A170 HydrophobicContact CD2-CB 3.75Å; F141-A170 HydrophobicContact CE2-CB 3.37Å; F141-A170 HydrophobicContact CZ-CB 4.37Å; F141-I171 PolarHBondContact N-O 3Å; F141-Y172 HydrophobicContact CB-CD2 4.28Å; F141-Y172 AromaticContact CD1-CD2 3.78Å; F141-Y172 HydrophobicContact CD1-CD2 3.78Å; F141-Y172 AromaticContact CD1-CE2 3.78Å; F141-Y172 HydrophobicContact CD1-CE2 3.78Å; F141-Y172 HydrophobicContact CE1-CD2 4.28Å; F141-Y172 HydrophobicContact CE1-CE2 4.25Å; F141-Y172 HydrophobicContact CG-CD2 4.02Å; F141-Y172 HydrophobicContact CG-CE2 4.43Å; F141-N186 CarbonylContact O-C 3.58Å; F141-N186 VanDerWaalsContact O-C 3.25Å; F141-N186 WeakPolarHBondContact O-CB 3.11Å; F141-S187 WeakPolarHBondContact CB-OG 3.28Å; F141-S187 VanDerWaalsContact O-CA 3.29Å; F141-S187 WeakPolarHBondContact O-CA 3.4Å; F141-S187 PolarHBondContact O-N 2.82Å; F141-S187 VanDerWaalsContact O-N 3.16Å; F141-S187 PolarHBondContact O-OG 3.13Å; F141-T190 HydrophobicContact CD1-CG2 4.27Å; F141-T190 HydrophobicContact CD2-CG2 4.28Å; F141-T190 HydrophobicContact CE1-CG2 4.4Å; F141-T190 HydrophobicContact CE2-CG2 4.37Å; F141-T190 HydrophobicContact CG-CG2 4.21Å; F141-T190 HydrophobicContact CZ-CG2 4.44Å; F141-T191 WeakPolarHBondContact CD1-OG1 3.43Å; F141-T191 VanDerWaalsContact CE1-OG1 3.26Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.36Å; F141-M203 HydrophobicContact CE1-CE 4.25Å; F141-M203 HydrophobicContact CE2-CE 4.41Å; F141-M203 HydrophobicContact CZ-CE 4.13Å; F141-F267 HydrophobicContact CZ-CE1 4.34Å
142	G	92.4	Very high	96.6	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-20.3	-174.5	0	0	0	0	0	115.8	S140 N186	S140-G142 PolarHBondContact O-N 2.84Å; S140-G142 PolarHBondContact OG-N 2.91Å; G142-N186 PolarHBondContact O-ND2 3.19Å
143	G	92.5	Very high	96.8	Very high	14 Å²	14	4.3 Å²	4.3	14%	0.144	3%	0.028	C	C	.	.	S	Bend	trans	-95.5	149.1	-173.1	0	0	0	0	0	113.4	T145 G146 S147	G143-T145 PolarHBondContact O-N 2.92Å; G143-G146 PolarHBondContact O-N 3.42Å; G143-S147 WeakPolarHBondContact O-CA 3.46Å; G143-S147 WeakPolarHBondContact O-CB 3.28Å; G143-S147 PolarHBondContact O-N 3.41Å; G143-S147 PolarHBondContact O-OG 2.78Å
144	G	95.2	Very high	97	Very high	2 Å²	2	2.7 Å²	2.7	2%	0.021	2%	0.021	C	C	.	.	H	α-helix	trans	-61.2	-48.6	-176.7	0	0	0	0	0	114.3	G148	G144-G148 WeakPolarHBondContact O-CA 3.36Å; G144-G148 PolarHBondContact O-N 3.42Å
145	T	97.2	Very high	97.1	Very high	10 Å²	10	5.4 Å²	5.4	6%	0.061	3%	0.033	C	C	.	.	I	π-helix	trans	-69.4	-50	174.2	-50.5	0	0	0	0	111	V9 D69 L70 G143 S147 F149 T150	V9-T145 HydrophobicContact CG1-CG2 3.94Å; D69-T145 PolarHBondContact OD1-OG1 3.37Å; D69-T145 VanDerWaalsContact OD1-OG1 3.07Å; L70-T145 HydrophobicContact CD1-CG2 4.19Å; L70-T145 HydrophobicContact CG-CG2 3.84Å; G143-T145 PolarHBondContact O-N 2.92Å; T145-S147 PolarHBondContact O-N 2.89Å; T145-F149 HydrophobicContact CG2-CB 4.11Å; T145-F149 HydrophobicContact CG2-CD1 4.49Å; T145-F149 VanDerWaalsContact O-CB 3.28Å; T145-F149 WeakPolarHBondContact O-CB 3.19Å; T145-F149 PolarHBondContact O-N 3.33Å; T145-F149 VanDerWaalsContact O-N 3.13Å; T145-T150 PolarHBondContact O-N 3.37Å
146	G	96.8	Very high	97.1	Very high	4 Å²	4	10.4 Å²	10.4	4%	0.041	5%	0.052	C	C	.	.	I	π-helix	trans	-62.3	-27.2	-176.2	0	0	0	0	0	113.6	H139 S140 G143 T150	H139-G146 VanDerWaalsContact CB-O 3.31Å; H139-G146 WeakPolarHBondContact CB-O 3.38Å; H139-G146 PolarHBondContact ND1-O 3.42Å; S140-G146 CarbonylContact O-C 3.56Å; G143-G146 PolarHBondContact O-N 3.42Å; G146-T150 WeakPolarHBondContact O-CB 3.16Å; G146-T150 PolarHBondContact O-OG1 2.94Å
147	S	97.4	Very high	97.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-99.8	-62.5	-177.8	89.8	0	0	0	0	109.8	Y103 S140 F141 G143 T145 S151 N186 T190	Y103-S147 WeakPolarHBondContact CD2-OG 3.42Å; S140-S147 PolarHBondContact O-N 3.04Å; F141-S147 VanDerWaalsContact O-CB 3.26Å; F141-S147 WeakPolarHBondContact O-CB 3.26Å; G143-S147 WeakPolarHBondContact O-CA 3.46Å; G143-S147 WeakPolarHBondContact O-CB 3.28Å; G143-S147 PolarHBondContact O-N 3.41Å; G143-S147 PolarHBondContact O-OG 2.78Å; T145-S147 PolarHBondContact O-N 2.89Å; S147-S151 PolarHBondContact O-N 2.98Å; S147-S151 PolarHBondContact O-OG 3.09Å; S147-N186 WeakPolarHBondContact OG-CB 3.33Å; S147-T190 WeakPolarHBondContact CA-OG1 3.42Å; S147-T190 WeakPolarHBondContact CB-OG1 3.38Å; S147-T190 PolarHBondContact O-OG1 3.31Å; S147-T190 VanDerWaalsContact O-OG1 3.1Å; S147-T190 PolarHBondContact OG-OG1 2.99Å
148	G	97.7	Very high	97.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-67.9	-48.7	-175.4	0	0	0	0	0	114.7	Y103 H107 G144 T150 S151 L152	Y103-G148 WeakPolarHBondContact O-CA 3.46Å; H107-G148 PolarHBondContact CD2-O 3.46Å; H107-G148 VanDerWaalsContact CD2-O 3.28Å; G144-G148 WeakPolarHBondContact O-CA 3.36Å; G144-G148 PolarHBondContact O-N 3.42Å; G148-T150 VanDerWaalsContact C-N 3.33Å; G148-S151 PolarHBondContact O-N 3.38Å; G148-L152 PolarHBondContact O-N 3.5Å
149	F	98.3	Very high	97	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-70.6	-33.9	179.8	-179.1	-105.3	0	0	0	111.7	V9 I68 L70 G106 G111 I115 V118 T145 L152 L153	V9-F149 HydrophobicContact CG1-CD1 3.71Å; I68-F149 HydrophobicContact CD1-CE1 4.28Å; I68-F149 HydrophobicContact CG2-CD1 4.23Å; I68-F149 HydrophobicContact CG2-CE1 3.69Å; I68-F149 HydrophobicContact CG2-CZ 4.4Å; L70-F149 HydrophobicContact CD1-CB 4.38Å; G106-F149 WeakPolarHBondContact O-CA 3.28Å; G106-F149 WeakPolarHBondContact O-CB 3.36Å; G106-F149 PolarHBondContact O-N 3.39Å; G111-F149 VanDerWaalsContact O-CE2 3.26Å; G111-F149 WeakPolarHBondContact O-CE2 3.42Å; I115-F149 HydrophobicContact CB-CE2 4.11Å; I115-F149 HydrophobicContact CD1-CE2 3.91Å; I115-F149 HydrophobicContact CD1-CZ 3.98Å; V118-F149 HydrophobicContact CB-CZ 4.09Å; V118-F149 HydrophobicContact CG1-CE1 4.49Å; V118-F149 HydrophobicContact CG1-CZ 4.28Å; V118-F149 HydrophobicContact CG2-CE1 4.16Å; V118-F149 HydrophobicContact CG2-CZ 3.72Å; T145-F149 HydrophobicContact CG2-CB 4.11Å; T145-F149 HydrophobicContact CG2-CD1 4.49Å; T145-F149 VanDerWaalsContact O-CB 3.28Å; T145-F149 WeakPolarHBondContact O-CB 3.19Å; T145-F149 PolarHBondContact O-N 3.33Å; T145-F149 VanDerWaalsContact O-N 3.13Å; F149-L152 HydrophobicContact CD2-CD2 4.46Å; F149-L152 PolarHBondContact O-N 3.18Å; F149-L153 WeakPolarHBondContact O-CB 3.29Å; F149-L153 PolarHBondContact O-N 2.83Å
150	T	98.5	Very high	97	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-43.5	173.8	-54.7	0	0	0	0	111.8	V9 I137 H139 T145 G146 G148 L152 L153 M154	V9-T150 WeakPolarHBondContact CB-OG1 3.29Å; V9-T150 VanDerWaalsContact CG1-OG1 3.25Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.33Å; I137-T150 HydrophobicContact CG2-CG2 3.72Å; H139-T150 HydrophobicContact CB-CG2 4.25Å; T145-T150 PolarHBondContact O-N 3.37Å; G146-T150 WeakPolarHBondContact O-CB 3.16Å; G146-T150 PolarHBondContact O-OG1 2.94Å; G148-T150 VanDerWaalsContact C-N 3.33Å; T150-L152 PolarHBondContact O-N 3.4Å; T150-L153 WeakPolarHBondContact O-CB 3.42Å; T150-L153 PolarHBondContact O-N 2.99Å; T150-L153 VanDerWaalsContact O-N 3.14Å; T150-M154 HydrophobicContact CG2-CG 4.05Å; T150-M154 WeakPolarHBondContact O-CB 3.33Å; T150-M154 VanDerWaalsContact O-CG 3.25Å; T150-M154 WeakPolarHBondContact O-CG 3.37Å; T150-M154 PolarHBondContact O-N 3.2Å
151	S	98.2	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-55.8	-50.1	175	-73.8	0	0	0	0	111.7	Y103 S147 G148 L153 M154 E155	Y103-S151 WeakPolarHBondContact CE2-OG 3.43Å; Y103-S151 VanDerWaalsContact OH-CB 3.23Å; Y103-S151 WeakPolarHBondContact OH-CB 3.34Å; Y103-S151 PolarHBondContact OH-OG 2.9Å; S147-S151 PolarHBondContact O-N 2.98Å; S147-S151 PolarHBondContact O-OG 3.09Å; G148-S151 PolarHBondContact O-N 3.38Å; S151-L153 VanDerWaalsContact C-N 3.3Å; S151-L153 PolarHBondContact O-N 2.71Å; S151-M154 PolarHBondContact O-N 3.19Å; S151-E155 PolarHBondContact O-N 3.47Å; S151-E155 VanDerWaalsContact O-N 3.1Å
152	L	98.2	Very high	96.8	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-42.1	176.1	177.1	65.7	0	0	0	111.7	H107 K112 I115 G148 F149 T150 R156	H107-L152 PolarHBondContact CD2-N 3Å; K112-L152 HydrophobicContact CB-CD2 4.43Å; I115-L152 HydrophobicContact CB-CD2 3.9Å; I115-L152 HydrophobicContact CD1-CD2 4.33Å; I115-L152 HydrophobicContact CD1-CG 4.23Å; I115-L152 HydrophobicContact CG1-CD2 4.02Å; I115-L152 HydrophobicContact CG1-CG 4.14Å; I115-L152 HydrophobicContact CG2-CD2 4.3Å; G148-L152 PolarHBondContact O-N 3.5Å; F149-L152 HydrophobicContact CD2-CD2 4.46Å; F149-L152 PolarHBondContact O-N 3.18Å; T150-L152 PolarHBondContact O-N 3.4Å; L152-R156 VanDerWaalsContact O-CG 3.27Å; L152-R156 WeakPolarHBondContact O-CG 3.47Å; L152-R156 PolarHBondContact O-N 3.48Å
153	L	98.5	Very high	96.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-42.2	178.4	176.9	64	0	0	0	111.8	V7 V9 I115 V118 L119 I122 F149 T150 S151 R156 L157	V7-L153 HydrophobicContact CG1-CD2 3.74Å; V9-L153 HydrophobicContact CG2-CD2 4.25Å; I115-L153 HydrophobicContact CD1-CB 4.2Å; I115-L153 HydrophobicContact CD1-CD1 3.94Å; V118-L153 HydrophobicContact CG1-CD1 3.99Å; L119-L153 HydrophobicContact CD2-CD1 4.02Å; I122-L153 HydrophobicContact CD1-CD1 3.89Å; F149-L153 WeakPolarHBondContact O-CB 3.29Å; F149-L153 PolarHBondContact O-N 2.83Å; T150-L153 WeakPolarHBondContact O-CB 3.42Å; T150-L153 PolarHBondContact O-N 2.99Å; T150-L153 VanDerWaalsContact O-N 3.14Å; S151-L153 VanDerWaalsContact C-N 3.3Å; S151-L153 PolarHBondContact O-N 2.71Å; L153-R156 PolarHBondContact O-N 2.95Å; L153-L157 HydrophobicContact CD1-CD1 4.18Å; L153-L157 HydrophobicContact CD1-CD2 4.43Å; L153-L157 HydrophobicContact CD1-CG 3.98Å; L153-L157 HydrophobicContact CD2-CD1 4.4Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.15Å; L153-L157 WeakPolarHBondContact O-CB 3.45Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3Å
154	M	98.3	Very high	97	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-39.3	-179.3	-74.9	-69.5	-78.1	0	0	112.2	I137 T150 S151 S158 K166 E168 T194 H197	I137-M154 HydrophobicContact CD1-CE 4.34Å; I137-M154 HydrophobicContact CD1-SD 3.69Å; I137-M154 HydrophobicContact CG1-SD 3.91Å; T150-M154 HydrophobicContact CG2-CG 4.05Å; T150-M154 WeakPolarHBondContact O-CB 3.33Å; T150-M154 VanDerWaalsContact O-CG 3.25Å; T150-M154 WeakPolarHBondContact O-CG 3.37Å; T150-M154 PolarHBondContact O-N 3.2Å; S151-M154 PolarHBondContact O-N 3.19Å; M154-S158 WeakPolarHBondContact O-CB 2.99Å; M154-S158 PolarHBondContact O-N 3.17Å; M154-S158 PolarHBondContact O-OG 3.38Å; M154-K166 HydrophobicContact CE-CB 3.97Å; M154-K166 HydrophobicContact CE-CD 4.23Å; M154-K166 HydrophobicContact SD-CB 4.39Å; M154-K166 HydrophobicContact SD-CD 4.24Å; M154-E168 HydrophobicContact CE-CG 4.24Å; M154-T194 HydrophobicContact CB-CG2 4.37Å; M154-T194 HydrophobicContact CG-CG2 4.27Å; M154-H197 HydrophobicContact CB-CB 4.06Å; M154-H197 HydrophobicContact CE-CB 4.2Å; M154-H197 WeakPolarHBondContact CE-O 3.19Å
155	E	97.7	Very high	97	Very high	56 Å²	56	39.1 Å²	39.1	26%	0.262	20%	0.199	S	C	.	.	H	α-helix	trans	-56.8	-50.1	170.6	-69.2	177.3	-178.1	0	0	110.8	H107 S151 S158 L159 T193	H107-E155 IonicContact CE1-OE1 2.86Å; H107-E155 IonicContact NE2-OE1 3.21Å; H107-E155 PolarHBondContact NE2-OE1 3.32Å; S151-E155 PolarHBondContact O-N 3.47Å; S151-E155 VanDerWaalsContact O-N 3.1Å; E155-S158 PolarHBondContact O-N 2.85Å; E155-L159 WeakPolarHBondContact O-CG 3.45Å; E155-L159 PolarHBondContact O-N 3.28Å; E155-L159 VanDerWaalsContact O-N 3.07Å; E155-T193 HydrophobicContact CG-CG2 4.14Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.34Å
156	R	97.9	Very high	96.9	Very high	105 Å²	105	39 Å²	39	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-67.3	-41.2	-177.7	-62.9	-66.7	174.9	179.9	-3.2	112.8	I115 L119 L152 L153 S158 L159 D160	I115-R156 HydrophobicContact CD1-CG 4.34Å; I115-R156 HydrophobicContact CG1-CG 4.09Å; L119-R156 HydrophobicContact CD1-CB 3.82Å; L119-R156 HydrophobicContact CD1-CG 4.03Å; L119-R156 HydrophobicContact CD2-CB 3.87Å; L119-R156 HydrophobicContact CG-CB 4.42Å; L152-R156 VanDerWaalsContact O-CG 3.27Å; L152-R156 WeakPolarHBondContact O-CG 3.47Å; L152-R156 PolarHBondContact O-N 3.48Å; L153-R156 PolarHBondContact O-N 2.95Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 3.33Å; R156-L159 PolarHBondContact O-N 3.39Å; R156-D160 PolarHBondContact O-N 3.16Å
157	L	98.1	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-35.6	174.5	-71.5	179	0	0	0	111.8	L119 I122 F135 L153 Y161 K166	L119-L157 HydrophobicContact CD2-CD2 4.43Å; I122-L157 HydrophobicContact CD1-CD2 4.11Å; I122-L157 HydrophobicContact CG2-CD2 4.07Å; F135-L157 HydrophobicContact CE1-CD2 4.28Å; F135-L157 HydrophobicContact CE2-CD2 4.35Å; F135-L157 HydrophobicContact CG-CD1 4.4Å; F135-L157 HydrophobicContact CZ-CD2 4.1Å; L153-L157 HydrophobicContact CD1-CD1 4.18Å; L153-L157 HydrophobicContact CD1-CD2 4.43Å; L153-L157 HydrophobicContact CD1-CG 3.98Å; L153-L157 HydrophobicContact CD2-CD1 4.4Å; L153-L157 HydrophobicContact CG-CD1 3.92Å; L153-L157 HydrophobicContact CG-CG 4.15Å; L153-L157 WeakPolarHBondContact O-CB 3.45Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3Å; L157-Y161 HydrophobicContact CD2-CD2 3.82Å; L157-Y161 HydrophobicContact CD2-CE2 4.07Å; L157-Y161 CarbonylContact O-C 3.51Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.38Å; L157-Y161 VanDerWaalsContact O-CB 3.32Å; L157-Y161 WeakPolarHBondContact O-CB 3.31Å; L157-Y161 PolarHBondContact O-N 3.04Å; L157-K166 HydrophobicContact CB-CD 4.25Å
158	S	97	Very high	97	Very high	25 Å²	25	38.8 Å²	38.8	18%	0.175	20%	0.196	C	C	.	.	H	α-helix	trans	-69.1	-34.8	176.2	-62.3	0	0	0	0	112.2	M154 E155 R156 G162 K166 H197	M154-S158 WeakPolarHBondContact O-CB 2.99Å; M154-S158 PolarHBondContact O-N 3.17Å; M154-S158 PolarHBondContact O-OG 3.38Å; E155-S158 PolarHBondContact O-N 2.85Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 3.33Å; S158-G162 WeakPolarHBondContact O-CA 3.2Å; S158-G162 PolarHBondContact O-N 3.48Å; S158-G162 VanDerWaalsContact O-N 3.1Å; S158-K166 WeakPolarHBondContact OG-CE 2.99Å; S158-H197 WeakPolarHBondContact OG-CB 3.45Å; S158-H197 PolarHBondContact OG-ND1 3.48Å
159	L	97.1	Very high	97	Very high	130 Å²	130	39.2 Å²	39.2	68%	0.681	20%	0.197	S	C	*	.	H	α-helix	trans	-67.2	-48.6	173.9	-67.9	172.5	0	0	0	112.2	E155 R156	E155-L159 WeakPolarHBondContact O-CG 3.45Å; E155-L159 PolarHBondContact O-N 3.28Å; E155-L159 VanDerWaalsContact O-N 3.07Å; R156-L159 PolarHBondContact O-N 3.39Å
160	D	97.3	Very high	96.9	Very high	102 Å²	102	39.2 Å²	39.2	55%	0.545	20%	0.197	S	C	.	.	H	α-helix	trans	-83.6	-31.2	-173.6	-69.1	-16.7	0	0	0	112.9	R156	R156-D160 PolarHBondContact O-N 3.16Å
161	Y	96.7	Very high	96.8	Very high	40 Å²	40	39.4 Å²	39.4	16%	0.157	20%	0.199	C	C	.	.	H	α-helix	trans	-131.6	35.4	-171.7	-52.9	-78.4	0	0	0	113	I122 R123 T126 F135 L157 K163 K164	I122-Y161 HydrophobicContact CG2-CE2 4.25Å; R123-Y161 WeakPolarHBondContact CA-OH 3.35Å; T126-Y161 HydrophobicContact CG2-CD1 4.46Å; T126-Y161 HydrophobicContact CG2-CE1 3.67Å; T126-Y161 HydrophobicContact CG2-CE2 4.49Å; T126-Y161 PolarHBondContact OG1-OH 3.38Å; F135-Y161 HydrophobicContact CE2-CD2 4.04Å; F135-Y161 AromaticContact CE2-CG 3.89Å; F135-Y161 HydrophobicContact CE2-CG 3.89Å; F135-Y161 HydrophobicContact CZ-CD1 4.31Å; F135-Y161 AromaticContact CZ-CD2 3.76Å; F135-Y161 HydrophobicContact CZ-CD2 3.76Å; F135-Y161 HydrophobicContact CZ-CE2 4.16Å; F135-Y161 AromaticContact CZ-CG 3.84Å; F135-Y161 HydrophobicContact CZ-CG 3.84Å; L157-Y161 HydrophobicContact CD2-CD2 3.82Å; L157-Y161 HydrophobicContact CD2-CE2 4.07Å; L157-Y161 CarbonylContact O-C 3.51Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.38Å; L157-Y161 VanDerWaalsContact O-CB 3.32Å; L157-Y161 WeakPolarHBondContact O-CB 3.31Å; L157-Y161 PolarHBondContact O-N 3.04Å; Y161-K163 PolarHBondContact O-N 2.9Å; Y161-K164 WeakPolarHBondContact O-CB 3.31Å; Y161-K164 PolarHBondContact O-N 2.97Å
162	G	92.8	Very high	96.6	Very high	53 Å²	53	39.7 Å²	39.7	55%	0.546	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-19.5	-173.3	0	0	0	0	0	117.1	S158	S158-G162 WeakPolarHBondContact O-CA 3.2Å; S158-G162 PolarHBondContact O-N 3.48Å; S158-G162 VanDerWaalsContact O-N 3.1Å
163	K	92.6	Very high	96.3	Very high	208 Å²	208	39.7 Å²	39.7	90%	0.904	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-2.2	175.4	-62.7	-176	-179.3	179.6	0	114.5	Y161	Y161-K163 PolarHBondContact O-N 2.9Å
164	K	94.7	Very high	95.8	Very high	72 Å²	72	39.9 Å²	39.9	31%	0.313	20%	0.202	S	C	.	.	S	Bend	trans	-98.9	138.2	-176.9	-59	-58.2	-177.1	-177.5	0	109.9	L132 F135 Y161 K166	L132-K164 HydrophobicContact CD2-CD 4.39Å; L132-K164 HydrophobicContact CD2-CG 4.19Å; L132-K164 HydrophobicContact CG-CD 4.46Å; L132-K164 WeakPolarHBondContact O-CD 3.46Å; L132-K164 WeakPolarHBondContact O-CE 3.42Å; L132-K164 PolarHBondContact O-NZ 3.02Å; F135-K164 HydrophobicContact CD2-CB 4.38Å; F135-K164 HydrophobicContact CE2-CB 4.05Å; Y161-K164 WeakPolarHBondContact O-CB 3.31Å; Y161-K164 PolarHBondContact O-N 2.97Å; K164-K166 PolarHBondContact O-NZ 2.9Å
165	S	95.3	Very high	95	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	141.2	-179.8	-60.8	0	0	0	0	111	Q133 G134 F135 D199	Q133-S165 PolarHBondContact O-N 2.9Å; G134-S165 CarbonylContact C-O 3.59Å; G134-S165 WeakPolarHBondContact CA-O 3.4Å; F135-S165 PolarHBondContact N-O 2.84Å; S165-D199 WeakPolarHBondContact CA-OD2 3.4Å
166	K	96.9	Very high	94.3	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	105.3	175.1	-70.4	164.2	-67.7	-64.1	0	107.5	F135 I137 M154 L157 S158 K164 H197 D199	F135-K166 HydrophobicContact CB-CG 4.46Å; F135-K166 HydrophobicContact CD2-CG 4.16Å; I137-K166 HydrophobicContact CD1-CB 3.78Å; I137-K166 HydrophobicContact CD1-CG 4.23Å; M154-K166 HydrophobicContact CE-CB 3.97Å; M154-K166 HydrophobicContact CE-CD 4.23Å; M154-K166 HydrophobicContact SD-CB 4.39Å; M154-K166 HydrophobicContact SD-CD 4.24Å; L157-K166 HydrophobicContact CB-CD 4.25Å; S158-K166 WeakPolarHBondContact OG-CE 2.99Å; K164-K166 PolarHBondContact O-NZ 2.9Å; K166-H197 WeakPolarHBondContact CD-O 3.41Å; K166-H197 WeakPolarHBondContact CE-O 3.42Å; K166-D199 PolarHBondContact N-OD2 2.84Å; K166-D199 IonicContact NZ-OD2 3.46Å; K166-D199 PolarHBondContact O-N 2.93Å
167	L	96.6	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.5	179.5	-55.4	179.5	0	0	0	109.2	F135 L136 I137 D199 C200 F202 L252 F255	F135-L167 PolarHBondContact O-N 3.37Å; L136-L167 CarbonylContact C-O 3.25Å; L136-L167 WeakPolarHBondContact CA-O 3.47Å; L136-L167 HydrophobicContact CD2-CB 4.13Å; L136-L167 HydrophobicContact CD2-CD1 4.13Å; I137-L167 PolarHBondContact N-O 3.04Å; L167-D199 HydrophobicContact CD2-CB 4.38Å; L167-C200 CarbonylContact C-O 3.55Å; L167-C200 WeakPolarHBondContact CA-O 3.23Å; L167-C200 HydrophobicContact CD2-CB 3.6Å; L167-F202 HydrophobicContact CB-CE2 4.17Å; L167-F202 HydrophobicContact CD1-CE2 4.28Å; L167-L252 HydrophobicContact CD1-CB 4.12Å; L167-L252 HydrophobicContact CD1-CD1 4.25Å; L167-L252 HydrophobicContact CD1-CD2 3.48Å; L167-L252 VanDerWaalsContact CD1-CD2 3.48Å; L167-L252 HydrophobicContact CD1-CG 4.15Å; L167-F255 HydrophobicContact CD1-CD2 4.12Å
168	E	97.9	Very high	92.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.5	-178.4	-65.7	175	-70.5	0	0	111	I137 H139 M154 S198 C200 A201 F202	I137-E168 HydrophobicContact CB-CG 4.12Å; I137-E168 HydrophobicContact CD1-CG 4.4Å; I137-E168 CarbonylContact O-C 3.4Å; I137-E168 WeakPolarHBondContact O-CA 3.41Å; H139-E168 IonicContact CE1-OE2 3.67Å; H139-E168 PolarHBondContact CE1-OE2 2.85Å; H139-E168 IonicContact NE2-OE2 2.98Å; H139-E168 PolarHBondContact NE2-OE2 3.35Å; M154-E168 HydrophobicContact CE-CG 4.24Å; E168-S198 WeakPolarHBondContact OE1-CB 3.44Å; E168-S198 PolarHBondContact OE1-OG 3.06Å; E168-C200 PolarHBondContact N-O 3.42Å; E168-A201 HydrophobicContact CB-CB 4.02Å; E168-F202 WeakPolarHBondContact O-CB 3.24Å; E168-F202 WeakPolarHBondContact O-CD2 3.4Å; E168-F202 PolarHBondContact O-N 2.92Å
169	F	97.9	Very high	91.6	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	97.3	166.7	-66.7	-82.1	0	0	0	106.7	L136 I137 F138 H139 F202 V235 I238	L136-F169 HydrophobicContact CB-CD2 4.49Å; L136-F169 HydrophobicContact CB-CE2 4.09Å; L136-F169 HydrophobicContact CD2-CE2 4.14Å; L136-F169 HydrophobicContact CG-CE2 4.46Å; I137-F169 PolarHBondContact O-N 3.15Å; F138-F169 HydrophobicContact CD1-CB 3.52Å; F138-F169 AromaticContact CD1-CD2 3.9Å; F138-F169 HydrophobicContact CD1-CD2 3.9Å; F138-F169 AromaticContact CD1-CG 3.9Å; F138-F169 HydrophobicContact CD1-CG 3.9Å; F138-F169 HydrophobicContact CD2-CD2 4.43Å; F138-F169 HydrophobicContact CE1-CB 3.8Å; F138-F169 HydrophobicContact CE1-CD1 4.42Å; F138-F169 AromaticContact CE1-CD2 3.43Å; F138-F169 HydrophobicContact CE1-CD2 3.43Å; F138-F169 VanDerWaalsContact CE1-CD2 3.43Å; F138-F169 HydrophobicContact CE1-CE2 4.09Å; F138-F169 AromaticContact CE1-CG 3.62Å; F138-F169 HydrophobicContact CE1-CG 3.62Å; F138-F169 HydrophobicContact CE2-CD2 4.02Å; F138-F169 HydrophobicContact CE2-CE2 4.45Å; F138-F169 HydrophobicContact CG-CB 4.18Å; F138-F169 HydrophobicContact CG-CD2 4.38Å; F138-F169 AromaticContact CZ-CD2 3.5Å; F138-F169 HydrophobicContact CZ-CD2 3.5Å; F138-F169 VanDerWaalsContact CZ-CD2 3.5Å; F138-F169 AromaticContact CZ-CE2 3.82Å; F138-F169 HydrophobicContact CZ-CE2 3.82Å; F138-F169 HydrophobicContact CZ-CG 4.18Å; H139-F169 PolarHBondContact N-O 3.5Å; F169-F202 HydrophobicContact CD1-CB 4.22Å; F169-F202 AromaticContact CD1-CD2 4Å; F169-F202 HydrophobicContact CD1-CD2 4Å; F169-F202 HydrophobicContact CE1-CB 4.48Å; F169-F202 AromaticContact CE1-CD2 3.61Å; F169-F202 HydrophobicContact CE1-CD2 3.61Å; F169-F202 HydrophobicContact CE1-CE2 4.28Å; F169-F202 HydrophobicContact CE1-CG 4.38Å; F169-F202 AromaticContact CZ-CD2 3.91Å; F169-F202 HydrophobicContact CZ-CD2 3.91Å; F169-F202 HydrophobicContact CZ-CE2 4.19Å; F169-V235 HydrophobicContact CD1-CG2 3.7Å; F169-V235 HydrophobicContact CE1-CB 4.28Å; F169-V235 HydrophobicContact CE1-CG1 4.29Å; F169-V235 HydrophobicContact CE1-CG2 3.76Å; F169-V235 HydrophobicContact CE2-CG1 4.33Å; F169-V235 HydrophobicContact CG-CG2 4.2Å; F169-V235 HydrophobicContact CZ-CG1 4.05Å; F169-V235 HydrophobicContact CZ-CG2 4.33Å; F169-I238 HydrophobicContact CE1-CD1 3.58Å; F169-I238 HydrophobicContact CE1-CG2 4.49Å; F169-I238 HydrophobicContact CZ-CB 4.47Å; F169-I238 HydrophobicContact CZ-CD1 4.25Å; F169-I238 HydrophobicContact CZ-CG2 4.1Å
170	A	96.6	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.7	-163.2	0	0	0	0	0	111.9	F141 Y172 F202 M203 V204	F141-A170 HydrophobicContact CD2-CB 3.75Å; F141-A170 HydrophobicContact CE2-CB 3.37Å; F141-A170 HydrophobicContact CZ-CB 4.37Å; A170-Y172 PolarHBondContact O-N 3.36Å; A170-F202 PolarHBondContact N-O 3.33Å; A170-F202 VanDerWaalsContact N-O 3.11Å; A170-M203 HydrophobicContact CB-SD 3.93Å; A170-V204 WeakPolarHBondContact O-CG2 3.46Å; A170-V204 PolarHBondContact O-N 2.79Å
171	I	96.2	Very high	90.8	Very high	5 Å²	5	45 Å²	45	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	111.3	164.1	-53.4	-56.8	0	0	0	108.8	A12 I16 H139 S140 F141 V204 N206 I231	A12-I171 HydrophobicContact CB-CG1 4.19Å; I16-I171 HydrophobicContact CD1-CD1 3.6Å; I16-I171 HydrophobicContact CD1-CG1 3.65Å; H139-I171 PolarHBondContact O-N 3.38Å; S140-I171 WeakPolarHBondContact CA-O 3.25Å; S140-I171 PolarHBondContact OG-O 2.84Å; S140-I171 VanDerWaalsContact OG-O 3.1Å; F141-I171 PolarHBondContact N-O 3Å; I171-V204 WeakPolarHBondContact CA-O 3.39Å; I171-V204 HydrophobicContact CD1-CG2 3.38Å; I171-N206 WeakPolarHBondContact CG2-ND2 3.31Å; I171-I231 HydrophobicContact CD1-CD1 3.55Å
172	Y	94.9	Very high	90.7	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	151.8	178	-161.7	-107.4	0	0	0	112	F141 A170 A174 M203 V204 A387 W388 L391	F141-Y172 HydrophobicContact CB-CD2 4.28Å; F141-Y172 AromaticContact CD1-CD2 3.78Å; F141-Y172 HydrophobicContact CD1-CD2 3.78Å; F141-Y172 AromaticContact CD1-CE2 3.78Å; F141-Y172 HydrophobicContact CD1-CE2 3.78Å; F141-Y172 HydrophobicContact CE1-CD2 4.28Å; F141-Y172 HydrophobicContact CE1-CE2 4.25Å; F141-Y172 HydrophobicContact CG-CD2 4.02Å; F141-Y172 HydrophobicContact CG-CE2 4.43Å; A170-Y172 PolarHBondContact O-N 3.36Å; Y172-A174 PolarHBondContact O-N 3.14Å; Y172-M203 HydrophobicContact CD2-CE 3.1Å; Y172-M203 HydrophobicContact CE2-CE 3.9Å; Y172-M203 HydrophobicContact CG-CE 3.5Å; Y172-M203 VanDerWaalsContact CG-CE 3.5Å; Y172-V204 PolarHBondContact N-O 2.8Å; Y172-A387 HydrophobicContact CD1-CB 4.45Å; Y172-A387 HydrophobicContact CE1-CB 3.93Å; Y172-W388 HydrophobicContact CD2-CZ3 4.24Å; Y172-W388 HydrophobicContact CE1-CE3 4.42Å; Y172-W388 HydrophobicContact CE1-CZ3 4.19Å; Y172-W388 HydrophobicContact CE2-CE3 4.1Å; Y172-W388 HydrophobicContact CE2-CH2 4.05Å; Y172-W388 AromaticContact CE2-CZ3 3.28Å; Y172-W388 HydrophobicContact CE2-CZ3 3.28Å; Y172-W388 AromaticContact CZ-CE3 3.59Å; Y172-W388 AromaticContact CZ-CZ3 3.24Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.38Å; Y172-L391 HydrophobicContact CE2-CD2 4.41Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.36Å
173	P	91.7	Very high	90.8	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.071	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-56.8	134.6	178.2	-29	37.7	0	0	0	113.6	E183 S187 L391	P173-E183 HydrophobicContact CB-CG 3.91Å; P173-E183 HydrophobicContact CG-CG 3.73Å; P173-S187 WeakPolarHBondContact CG-OG 3.24Å; P173-L391 HydrophobicContact CG-CD1 4.39Å
174	A	87.6	Confident	91	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.033	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-84.6	157.5	173.8	0	0	0	0	0	111.8	Y172 V177 D205 E207 K394	Y172-A174 PolarHBondContact O-N 3.14Å; A174-V177 HydrophobicContact CB-CB 3.86Å; A174-V177 VanDerWaalsContact CB-O 3.26Å; A174-V177 WeakPolarHBondContact CB-O 3.47Å; A174-D205 WeakPolarHBondContact CA-OD1 3.29Å; A174-D205 WeakPolarHBondContact CB-OD1 3.46Å; A174-E207 HydrophobicContact CB-CB 3.62Å; A174-K394 PolarHBondContact O-NZ 3.02Å; A174-K394 VanDerWaalsContact O-NZ 3.12Å
175	P	81.7	Confident	91.1	Very high	42 Å²	42	28.3 Å²	28.3	27%	0.273	16%	0.164	S	C	.	.	S	Bend	trans	-57.7	-49.5	171.2	-25.9	34.7	0	0	0	113.6	E207 K304 K394	P175-E207 WeakPolarHBondContact CD-OE2 3.42Å; P175-K304 HydrophobicContact CG-CB 3.77Å; P175-K304 HydrophobicContact CG-CG 4.03Å; P175-K394 PolarHBondContact O-NZ 2.82Å
176	Q	82.1	Confident	91.2	Very high	170 Å²	170	28 Å²	28	79%	0.794	16%	0.162	S	C	*	.	S	Bend	trans	-111.7	-21.2	-171.4	-55.8	-174.6	2.8	0	0	113.9	E207	Q176-E207 WeakPolarHBondContact CB-OE2 3.43Å; Q176-E207 PolarHBondContact N-OE2 3.29Å
177	V	78.3	Confident	91.2	Very high	61 Å²	61	27.7 Å²	27.7	37%	0.37	16%	0.16	S	C	.	.			trans	-102.4	99.1	179.4	-175.7	0	0	0	0	109.4	A174 E207	A174-V177 HydrophobicContact CB-CB 3.86Å; A174-V177 VanDerWaalsContact CB-O 3.26Å; A174-V177 WeakPolarHBondContact CB-O 3.47Å; V177-E207 HydrophobicContact CG2-CB 4.12Å; V177-E207 HydrophobicContact CG2-CG 4.27Å
178	S	80.8	Confident	91.3	Very high	62 Å²	62	27.7 Å²	27.7	43%	0.434	16%	0.16	S	C	.	.			trans	-114.1	132.2	174.4	-170.9	0	0	0	0	109.9	A180 E183	S178-A180 PolarHBondContact OG-O 2.87Å; S178-E183 WeakPolarHBondContact CA-OE2 3.38Å; S178-E183 WeakPolarHBondContact CB-OE2 3.42Å; S178-E183 VanDerWaalsContact OG-CD 3.26Å; S178-E183 PolarHBondContact OG-OE2 3.27Å
179	T	77.7	Confident	91.3	Very high	76 Å²	76	27.8 Å²	27.8	47%	0.466	16%	0.161	S	C	.	.	S	Bend	trans	-86.3	-20	178.7	57.9	0	0	0	0	112.4
180	A	86.8	Confident	91.3	Very high	11 Å²	11	27.4 Å²	27.4	9%	0.091	16%	0.159	C	C	.	.			trans	-147.8	142.3	-177.6	0	0	0	0	0	111.8	N101 S178 V182 E183	N101-A180 HydrophobicContact CB-CB 3.64Å; S178-A180 PolarHBondContact OG-O 2.87Å; A180-V182 PolarHBondContact O-N 3.03Å; A180-V182 VanDerWaalsContact O-N 3.15Å; A180-E183 WeakPolarHBondContact O-CB 3.33Å; A180-E183 PolarHBondContact O-N 3.33Å
181	V	90.7	Very high	91.3	Very high	104 Å²	104	27.5 Å²	27.5	63%	0.63	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.1	179.5	-173.3	0	0	0	0	112.2	M398 F404	V181-M398 VanDerWaalsContact O-CE 3.27Å; V181-M398 WeakPolarHBondContact O-CE 3.36Å; V181-F404 HydrophobicContact CB-CE2 4.4Å; V181-F404 HydrophobicContact CB-CZ 4.47Å; V181-F404 HydrophobicContact CG1-CD2 4.38Å; V181-F404 HydrophobicContact CG1-CE2 3.51Å; V181-F404 HydrophobicContact CG1-CZ 3.85Å
182	V	95.1	Very high	91.3	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.036	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	8.9	-178.8	-57.8	0	0	0	0	113.8	N101 A180 P184 Y185 N186 M398 F404 W407 Y408	N101-V182 HydrophobicContact CB-CG2 4.5Å; N101-V182 WeakPolarHBondContact O-CG2 3.48Å; A180-V182 PolarHBondContact O-N 3.03Å; A180-V182 VanDerWaalsContact O-N 3.15Å; V182-P184 VanDerWaalsContact C-N 3.26Å; V182-Y185 PolarHBondContact O-N 2.81Å; V182-Y185 VanDerWaalsContact O-N 3.09Å; V182-N186 PolarHBondContact O-N 3.21Å; V182-M398 HydrophobicContact CG1-CE 4.48Å; V182-F404 HydrophobicContact CG1-CB 3.65Å; V182-F404 HydrophobicContact CG1-CD1 4.23Å; V182-F404 HydrophobicContact CG1-CD2 3.91Å; V182-F404 HydrophobicContact CG1-CG 3.66Å; V182-W407 HydrophobicContact CG1-CE3 4.45Å; V182-Y408 HydrophobicContact CB-CE2 4.25Å; V182-Y408 VanDerWaalsContact CB-OH 3.27Å; V182-Y408 WeakPolarHBondContact CB-OH 3.46Å; V182-Y408 HydrophobicContact CG1-CE2 4.36Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.16Å; V182-Y408 PolarHBondContact O-OH 2.86Å
183	E	95.6	Very high	91.4	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-48.3	-41.1	175.3	173.4	179.3	-100.5	0	0	113.1	P173 S178 A180 Y185 N186 S187	P173-E183 HydrophobicContact CB-CG 3.91Å; P173-E183 HydrophobicContact CG-CG 3.73Å; S178-E183 WeakPolarHBondContact CA-OE2 3.38Å; S178-E183 WeakPolarHBondContact CB-OE2 3.42Å; S178-E183 VanDerWaalsContact OG-CD 3.26Å; S178-E183 PolarHBondContact OG-OE2 3.27Å; A180-E183 WeakPolarHBondContact O-CB 3.33Å; A180-E183 PolarHBondContact O-N 3.33Å; E183-Y185 PolarHBondContact O-N 2.81Å; E183-N186 PolarHBondContact O-N 3.38Å; E183-S187 WeakPolarHBondContact O-CB 3.44Å; E183-S187 PolarHBondContact O-N 3.43Å; E183-S187 PolarHBondContact O-OG 3.23Å
184	P	96.1	Very high	91.7	Very high	8 Å²	8	30.1 Å²	30.1	5%	0.052	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-43.3	177.8	-27.2	37	0	0	0	114.3	V182 S187 I188 L391 K394 F395 M398	V182-P184 VanDerWaalsContact C-N 3.26Å; P184-S187 PolarHBondContact O-N 3.21Å; P184-I188 WeakPolarHBondContact O-CG1 3.35Å; P184-I188 PolarHBondContact O-N 2.67Å; P184-I188 VanDerWaalsContact O-N 3.12Å; P184-L391 HydrophobicContact CB-CD1 4.03Å; P184-K394 HydrophobicContact CB-CB 4.05Å; P184-K394 HydrophobicContact CG-CB 3.74Å; P184-K394 HydrophobicContact CG-CD 4.32Å; P184-F395 HydrophobicContact CB-CB 4.41Å; P184-M398 HydrophobicContact CB-SD 4.2Å; P184-M398 HydrophobicContact CG-SD 3.83Å
185	Y	97.6	Very high	92	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-47.5	176.8	-71.7	-12.1	0	0	0	111.5	V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418	V182-Y185 PolarHBondContact O-N 2.81Å; V182-Y185 VanDerWaalsContact O-N 3.09Å; E183-Y185 PolarHBondContact O-N 2.81Å; Y185-S187 VanDerWaalsContact C-N 3.27Å; Y185-S187 PolarHBondContact O-N 2.77Å; Y185-I188 PolarHBondContact O-N 3.12Å; Y185-L189 WeakPolarHBondContact O-CB 3.41Å; Y185-L189 WeakPolarHBondContact O-CD1 3.41Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.38Å; Y185-L189 PolarHBondContact O-N 3.15Å; Y185-F395 AromaticContact CD1-CD2 3.37Å; Y185-F395 HydrophobicContact CD1-CD2 3.37Å; Y185-F395 AromaticContact CD1-CE2 3.48Å; Y185-F395 HydrophobicContact CD1-CE2 3.48Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.48Å; Y185-F395 HydrophobicContact CD1-CG 4.24Å; Y185-F395 HydrophobicContact CD1-CZ 4.4Å; Y185-F395 AromaticContact CE1-CD2 3.81Å; Y185-F395 HydrophobicContact CE1-CD2 3.81Å; Y185-F395 AromaticContact CE1-CE2 3.85Å; Y185-F395 HydrophobicContact CE1-CE2 3.85Å; Y185-F395 HydrophobicContact CE1-CG 4.31Å; Y185-F395 HydrophobicContact CE1-CZ 4.38Å; Y185-F395 HydrophobicContact CG-CE2 4.5Å; Y185-M398 HydrophobicContact CD2-CE 4.45Å; Y185-M398 HydrophobicContact CE1-CB 3.9Å; Y185-M398 HydrophobicContact CE2-CE 4.2Å; Y185-M398 PolarHBondContact OH-O 3.25Å; Y185-Y399 VanDerWaalsContact OH-CA 3.27Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.5Å; Y185-Y399 PolarHBondContact OH-N 3.12Å; Y185-A403 WeakPolarHBondContact CE2-O 3.4Å; Y185-A403 PolarHBondContact OH-O 3.1Å; Y185-F404 HydrophobicContact CE2-CB 4.43Å; Y185-V405 HydrophobicContact CE2-CG2 4.18Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.21Å; Y185-Y408 HydrophobicContact CD2-CD2 4.27Å; Y185-Y408 AromaticContact CD2-CE2 3.7Å; Y185-Y408 HydrophobicContact CD2-CE2 3.7Å; Y185-Y408 AromaticContact CD2-CZ 3.96Å; Y185-F418 HydrophobicContact CD1-CD1 4.32Å; Y185-F418 AromaticContact CD1-CE1 3.98Å; Y185-F418 HydrophobicContact CD1-CE1 3.98Å; Y185-F418 AromaticContact CD2-CE1 3.72Å; Y185-F418 HydrophobicContact CD2-CE1 3.72Å; Y185-F418 HydrophobicContact CD2-CZ 4.15Å; Y185-F418 HydrophobicContact CE1-CE1 4.4Å; Y185-F418 HydrophobicContact CE2-CE1 4.16Å; Y185-F418 HydrophobicContact CE2-CZ 4.44Å; Y185-F418 HydrophobicContact CG-CD1 4.39Å; Y185-F418 AromaticContact CG-CE1 3.62Å; Y185-F418 HydrophobicContact CG-CE1 3.62Å; Y185-F418 HydrophobicContact CG-CZ 4.47Å
186	N	97.6	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-43	179.4	-70.7	-11.6	0	0	0	111.9	N101 Y103 F141 G142 S147 V182 E183 T190 Y408	N101-N186 PolarHBondContact O-ND2 3.17Å; Y103-N186 VanDerWaalsContact CB-OD1 3.23Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.45Å; Y103-N186 PolarHBondContact N-OD1 3.25Å; F141-N186 CarbonylContact O-C 3.58Å; F141-N186 VanDerWaalsContact O-C 3.25Å; F141-N186 WeakPolarHBondContact O-CB 3.11Å; G142-N186 PolarHBondContact O-ND2 3.19Å; S147-N186 WeakPolarHBondContact OG-CB 3.33Å; V182-N186 PolarHBondContact O-N 3.21Å; E183-N186 PolarHBondContact O-N 3.38Å; N186-T190 VanDerWaalsContact O-CB 3.3Å; N186-T190 WeakPolarHBondContact O-CB 3.47Å; N186-T190 PolarHBondContact O-N 2.89Å; N186-T190 PolarHBondContact O-OG1 3.03Å; N186-Y408 PolarHBondContact OD1-OH 2.66Å
187	S	96.7	Very high	93.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-73.7	-38.9	-175.3	-60.9	0	0	0	0	112.7	F141 P173 E183 P184 Y185 T191	F141-S187 WeakPolarHBondContact CB-OG 3.28Å; F141-S187 VanDerWaalsContact O-CA 3.29Å; F141-S187 WeakPolarHBondContact O-CA 3.4Å; F141-S187 PolarHBondContact O-N 2.82Å; F141-S187 VanDerWaalsContact O-N 3.16Å; F141-S187 PolarHBondContact O-OG 3.13Å; P173-S187 WeakPolarHBondContact CG-OG 3.24Å; E183-S187 WeakPolarHBondContact O-CB 3.44Å; E183-S187 PolarHBondContact O-N 3.43Å; E183-S187 PolarHBondContact O-OG 3.23Å; P184-S187 PolarHBondContact O-N 3.21Å; Y185-S187 VanDerWaalsContact C-N 3.27Å; Y185-S187 PolarHBondContact O-N 2.77Å; S187-T191 WeakPolarHBondContact O-CB 3.13Å; S187-T191 PolarHBondContact O-N 3.04Å; S187-T191 PolarHBondContact O-OG1 3.4Å
188	I	97.2	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-48.2	174.3	-67.7	-158.7	0	0	0	110.4	P184 Y185 T190 T191 H192 L391 F395 A421 L425	P184-I188 WeakPolarHBondContact O-CG1 3.35Å; P184-I188 PolarHBondContact O-N 2.67Å; P184-I188 VanDerWaalsContact O-N 3.12Å; Y185-I188 PolarHBondContact O-N 3.12Å; I188-T190 PolarHBondContact O-N 3.48Å; I188-T191 PolarHBondContact O-N 3.28Å; I188-H192 WeakPolarHBondContact O-CB 3.38Å; I188-H192 PolarHBondContact O-N 3.34Å; I188-L391 HydrophobicContact CD1-CD2 4.49Å; I188-L391 HydrophobicContact CD1-CG 4.25Å; I188-L391 HydrophobicContact CG1-CD2 3.58Å; I188-L391 HydrophobicContact CG1-CG 3.75Å; I188-F395 HydrophobicContact CB-CD2 4.09Å; I188-F395 HydrophobicContact CB-CE2 4.31Å; I188-F395 HydrophobicContact CD1-CB 3.46Å; I188-F395 VanDerWaalsContact CD1-CB 3.46Å; I188-F395 HydrophobicContact CD1-CD1 4.2Å; I188-F395 HydrophobicContact CD1-CD2 3.45Å; I188-F395 VanDerWaalsContact CD1-CD2 3.45Å; I188-F395 HydrophobicContact CD1-CE2 4.2Å; I188-F395 HydrophobicContact CD1-CG 3.46Å; I188-F395 VanDerWaalsContact CD1-CG 3.46Å; I188-F395 HydrophobicContact CG1-CB 4.42Å; I188-F395 HydrophobicContact CG1-CD2 3.98Å; I188-F395 HydrophobicContact CG1-CG 4.43Å; I188-F395 HydrophobicContact CG2-CD2 4.41Å; I188-F395 HydrophobicContact CG2-CE2 4.27Å; I188-A421 HydrophobicContact CG2-CB 3.77Å; I188-L425 HydrophobicContact CB-CD2 4.49Å; I188-L425 HydrophobicContact CD1-CD2 3.79Å; I188-L425 HydrophobicContact CG1-CD2 3.68Å
189	L	98.2	Very high	94.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-43.2	179.2	-67.7	166.4	0	0	0	111.9	Y103 Y185 H192 T193 Y408 M413 F418 A421	Y103-L189 HydrophobicContact CD1-CB 3.97Å; Y103-L189 HydrophobicContact CD1-CD1 3.74Å; Y103-L189 HydrophobicContact CD1-CG 4.42Å; Y103-L189 HydrophobicContact CD2-CB 3.84Å; Y103-L189 HydrophobicContact CE1-CB 3.96Å; Y103-L189 HydrophobicContact CE1-CD1 4.34Å; Y103-L189 HydrophobicContact CE2-CB 3.84Å; Y103-L189 HydrophobicContact CG-CB 3.95Å; Y103-L189 HydrophobicContact CG-CD1 3.98Å; Y185-L189 WeakPolarHBondContact O-CB 3.41Å; Y185-L189 WeakPolarHBondContact O-CD1 3.41Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.38Å; Y185-L189 PolarHBondContact O-N 3.15Å; L189-H192 PolarHBondContact O-N 2.9Å; L189-T193 PolarHBondContact O-N 3.3Å; L189-T193 PolarHBondContact O-OG1 3.39Å; L189-Y408 HydrophobicContact CD1-CD1 3.88Å; L189-Y408 HydrophobicContact CD1-CE1 3.79Å; L189-M413 HydrophobicContact CD1-CE 3.73Å; L189-M413 HydrophobicContact CD1-SD 3.92Å; L189-M413 HydrophobicContact CD2-CE 3.48Å; L189-M413 VanDerWaalsContact CD2-CE 3.48Å; L189-M413 HydrophobicContact CD2-SD 4.44Å; L189-M413 HydrophobicContact CG-CE 4.26Å; L189-F418 HydrophobicContact CD1-CD1 4.47Å; L189-F418 HydrophobicContact CD1-CE1 4.01Å; L189-A421 HydrophobicContact CD2-CB 3.91Å
190	T	97.7	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-42.7	176.2	-72.7	0	0	0	0	112.4	Y103 F141 S147 N186 I188 H192 T193 T194	Y103-T190 WeakPolarHBondContact CD2-OG1 3.14Å; Y103-T190 VanDerWaalsContact CE2-OG1 3.3Å; Y103-T190 WeakPolarHBondContact CE2-OG1 3.46Å; F141-T190 HydrophobicContact CD1-CG2 4.27Å; F141-T190 HydrophobicContact CD2-CG2 4.28Å; F141-T190 HydrophobicContact CE1-CG2 4.4Å; F141-T190 HydrophobicContact CE2-CG2 4.37Å; F141-T190 HydrophobicContact CG-CG2 4.21Å; F141-T190 HydrophobicContact CZ-CG2 4.44Å; S147-T190 WeakPolarHBondContact CA-OG1 3.42Å; S147-T190 WeakPolarHBondContact CB-OG1 3.38Å; S147-T190 PolarHBondContact O-OG1 3.31Å; S147-T190 VanDerWaalsContact O-OG1 3.1Å; S147-T190 PolarHBondContact OG-OG1 2.99Å; N186-T190 VanDerWaalsContact O-CB 3.3Å; N186-T190 WeakPolarHBondContact O-CB 3.47Å; N186-T190 PolarHBondContact O-N 2.89Å; N186-T190 PolarHBondContact O-OG1 3.03Å; I188-T190 PolarHBondContact O-N 3.48Å; T190-H192 VanDerWaalsContact C-N 3.31Å; T190-H192 PolarHBondContact O-N 3.22Å; T190-T193 PolarHBondContact O-N 3.4Å; T190-T194 HydrophobicContact CG2-CG2 4.12Å; T190-T194 WeakPolarHBondContact O-CB 3.33Å; T190-T194 WeakPolarHBondContact O-CG2 3.31Å; T190-T194 PolarHBondContact O-N 3.11Å; T190-T194 PolarHBondContact O-OG1 2.98Å
191	T	96.8	Very high	96	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-57.9	-49.1	176.7	-52.8	0	0	0	0	109.8	F141 S187 I188 T194 L195 F267 L425 L428	F141-T191 WeakPolarHBondContact CD1-OG1 3.43Å; F141-T191 VanDerWaalsContact CE1-OG1 3.26Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.36Å; S187-T191 WeakPolarHBondContact O-CB 3.13Å; S187-T191 PolarHBondContact O-N 3.04Å; S187-T191 PolarHBondContact O-OG1 3.4Å; I188-T191 PolarHBondContact O-N 3.28Å; T191-T194 PolarHBondContact O-N 3.13Å; T191-L195 WeakPolarHBondContact O-CB 3.48Å; T191-L195 PolarHBondContact O-N 3.23Å; T191-F267 HydrophobicContact CG2-CZ 3.99Å; T191-L425 HydrophobicContact CG2-CD1 4.07Å; T191-L428 HydrophobicContact CG2-CD2 4.36Å
192	H	97.1	Very high	96.3	Very high	55 Å²	55	17.3 Å²	17.3	26%	0.255	9%	0.086	S	C	.	.	H	α-helix	trans	-57.5	-55.1	179.4	174.1	58.8	0	0	0	112.7	I188 L189 T190 T194 L195 A421 D424	I188-H192 WeakPolarHBondContact O-CB 3.38Å; I188-H192 PolarHBondContact O-N 3.34Å; L189-H192 PolarHBondContact O-N 2.9Å; T190-H192 VanDerWaalsContact C-N 3.31Å; T190-H192 PolarHBondContact O-N 3.22Å; H192-T194 PolarHBondContact O-N 2.8Å; H192-L195 WeakPolarHBondContact O-CB 3.33Å; H192-L195 PolarHBondContact O-N 3.29Å; H192-A421 HydrophobicContact CB-CB 3.51Å; H192-D424 IonicContact CE1-OD2 3.39Å; H192-D424 IonicContact CG-OD2 3.69Å; H192-D424 WeakPolarHBondContact ND1-CB 3.35Å; H192-D424 IonicContact ND1-OD2 3.79Å; H192-D424 PolarHBondContact ND1-OD2 2.94Å
193	T	96.7	Very high	96.3	Very high	21 Å²	21	17 Å²	17	13%	0.129	8%	0.084	C	C	.	.	H	α-helix	trans	-69.8	-31	-176.1	-54.6	0	0	0	0	113.2	Y103 E155 L189 T190 H197	Y103-T193 PolarHBondContact OH-OG1 3.37Å; E155-T193 HydrophobicContact CG-CG2 4.14Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.34Å; L189-T193 PolarHBondContact O-N 3.3Å; L189-T193 PolarHBondContact O-OG1 3.39Å; T190-T193 PolarHBondContact O-N 3.4Å; T193-H197 PolarHBondContact O-CD2 2.97Å
194	T	96.9	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-86.3	-13.1	-179.1	58.2	0	0	0	0	113.6	M154 T190 T191 H192 E196 H197 S198	M154-T194 HydrophobicContact CB-CG2 4.37Å; M154-T194 HydrophobicContact CG-CG2 4.27Å; T190-T194 HydrophobicContact CG2-CG2 4.12Å; T190-T194 WeakPolarHBondContact O-CB 3.33Å; T190-T194 WeakPolarHBondContact O-CG2 3.31Å; T190-T194 PolarHBondContact O-N 3.11Å; T190-T194 PolarHBondContact O-OG1 2.98Å; T191-T194 PolarHBondContact O-N 3.13Å; H192-T194 PolarHBondContact O-N 2.8Å; T194-E196 VanDerWaalsContact C-N 3.28Å; T194-E196 PolarHBondContact O-N 3.27Å; T194-H197 CarbonylContact O-C 3.24Å; T194-H197 PolarHBondContact O-N 3.43Å; T194-S198 PolarHBondContact O-N 2.72Å
195	L	95.5	Very high	96.3	Very high	8 Å²	8	16.7 Å²	16.7	4%	0.042	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-36.1	-172.2	-162.1	69.6	0	0	0	113.8	T191 H192 R264 H266 F267 D424 L428	T191-L195 WeakPolarHBondContact O-CB 3.48Å; T191-L195 PolarHBondContact O-N 3.23Å; H192-L195 WeakPolarHBondContact O-CB 3.33Å; H192-L195 PolarHBondContact O-N 3.29Å; L195-R264 HydrophobicContact CD2-CG 4.23Å; L195-R264 VanDerWaalsContact CD2-CZ 3.44Å; L195-R264 HydrophobicContact CG-CG 4.48Å; L195-H266 PolarHBondContact O-CE1 2.86Å; L195-H266 VanDerWaalsContact O-CE1 3.23Å; L195-F267 HydrophobicContact CD1-CE2 3.72Å; L195-F267 HydrophobicContact CD1-CZ 3.81Å; L195-D424 WeakPolarHBondContact CD2-OD2 3.32Å; L195-L428 HydrophobicContact CD1-CD2 4.21Å
196	E	93.9	Very high	96.1	Very high	171 Å²	171	17.8 Å²	17.8	80%	0.799	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.2	179.2	-60	-169.2	160.3	0	0	113.3	T194	T194-E196 VanDerWaalsContact C-N 3.28Å; T194-E196 PolarHBondContact O-N 3.27Å
197	H	96	Very high	95.9	Very high	42 Å²	42	18.7 Å²	18.7	19%	0.194	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-17.2	-172	-60.7	-29.4	0	0	0	113	M154 S158 K166 T193 T194	M154-H197 HydrophobicContact CB-CB 4.06Å; M154-H197 HydrophobicContact CE-CB 4.2Å; M154-H197 WeakPolarHBondContact CE-O 3.19Å; S158-H197 WeakPolarHBondContact OG-CB 3.45Å; S158-H197 PolarHBondContact OG-ND1 3.48Å; K166-H197 WeakPolarHBondContact CD-O 3.41Å; K166-H197 WeakPolarHBondContact CE-O 3.42Å; T193-H197 PolarHBondContact O-CD2 2.97Å; T194-H197 CarbonylContact O-C 3.24Å; T194-H197 PolarHBondContact O-N 3.43Å
198	S	95.4	Very high	95.9	Very high	10 Å²	10	19 Å²	19	7%	0.07	9%	0.094	C	C	.	.			trans	-90	134.9	175.8	-163	0	0	0	0	111.4	E168 T194	E168-S198 WeakPolarHBondContact OE1-CB 3.44Å; E168-S198 PolarHBondContact OE1-OG 3.06Å; T194-S198 PolarHBondContact O-N 2.72Å
199	D	95	Very high	95.8	Very high	28 Å²	28	19 Å²	19	15%	0.15	9%	0.094	C	C	.	.	S	Bend	trans	-86.5	-28.9	170.1	-65.3	-70.8	0	0	0	111.5	S165 K166 L167 Q256	S165-D199 WeakPolarHBondContact CA-OD2 3.4Å; K166-D199 PolarHBondContact N-OD2 2.84Å; K166-D199 IonicContact NZ-OD2 3.46Å; K166-D199 PolarHBondContact O-N 2.93Å; L167-D199 HydrophobicContact CD2-CB 4.38Å; D199-Q256 HydrophobicContact CB-CG 4.45Å; D199-Q256 PolarHBondContact OD1-NE2 2.92Å; D199-Q256 PolarHBondContact OD1-OE1 2.92Å
200	C	94.8	Very high	95.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	130.5	177.6	-169.3	0	0	0	0	110	L167 E168 F202 P268	L167-C200 CarbonylContact C-O 3.55Å; L167-C200 WeakPolarHBondContact CA-O 3.23Å; L167-C200 HydrophobicContact CD2-CB 3.6Å; E168-C200 PolarHBondContact N-O 3.42Å; C200-F202 HydrophobicContact CB-CZ 4.45Å; C200-F202 WeakPolarHBondContact SG-CE1 3.26Å; C200-P268 VanDerWaalsContact SG-CD 3.51Å; C200-P268 VanDerWaalsContact SG-CG 3.53Å
201	A	96.6	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	107.8	176.2	0	0	0	0	0	110.5	E168 M203 H266 F267	E168-A201 HydrophobicContact CB-CB 4.02Å; A201-M203 HydrophobicContact CB-SD 3.99Å; A201-M203 WeakPolarHBondContact O-CG 3.43Å; A201-M203 PolarHBondContact O-N 2.92Å; A201-H266 PolarHBondContact N-O 2.85Å; A201-F267 HydrophobicContact CB-CD1 3.73Å; A201-F267 HydrophobicContact CB-CE1 3.96Å; A201-F267 WeakPolarHBondContact O-CA 3.47Å
202	F	96.7	Very high	95.5	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	107	176.5	-56.2	-58.9	0	0	0	109.7	L167 E168 F169 A170 C200 I238 F255 L259 P268 V270 L378	L167-F202 HydrophobicContact CB-CE2 4.17Å; L167-F202 HydrophobicContact CD1-CE2 4.28Å; E168-F202 WeakPolarHBondContact O-CB 3.24Å; E168-F202 WeakPolarHBondContact O-CD2 3.4Å; E168-F202 PolarHBondContact O-N 2.92Å; F169-F202 HydrophobicContact CD1-CB 4.22Å; F169-F202 AromaticContact CD1-CD2 4Å; F169-F202 HydrophobicContact CD1-CD2 4Å; F169-F202 HydrophobicContact CE1-CB 4.48Å; F169-F202 AromaticContact CE1-CD2 3.61Å; F169-F202 HydrophobicContact CE1-CD2 3.61Å; F169-F202 HydrophobicContact CE1-CE2 4.28Å; F169-F202 HydrophobicContact CE1-CG 4.38Å; F169-F202 AromaticContact CZ-CD2 3.91Å; F169-F202 HydrophobicContact CZ-CD2 3.91Å; F169-F202 HydrophobicContact CZ-CE2 4.19Å; A170-F202 PolarHBondContact N-O 3.33Å; A170-F202 VanDerWaalsContact N-O 3.11Å; C200-F202 HydrophobicContact CB-CZ 4.45Å; C200-F202 WeakPolarHBondContact SG-CE1 3.26Å; F202-I238 HydrophobicContact CD2-CD1 4.14Å; F202-I238 HydrophobicContact CE2-CD1 4.33Å; F202-I238 HydrophobicContact CE2-CG2 3.98Å; F202-I238 HydrophobicContact CG-CD1 4.26Å; F202-I238 HydrophobicContact CZ-CG2 4.27Å; F202-F255 HydrophobicContact CZ-CB 4.35Å; F202-F255 HydrophobicContact CZ-CD1 4.37Å; F202-F255 HydrophobicContact CZ-CD2 4.4Å; F202-F255 HydrophobicContact CZ-CG 4.13Å; F202-L259 HydrophobicContact CE1-CD1 4.26Å; F202-P268 HydrophobicContact CD1-CB 4.32Å; F202-V270 HydrophobicContact CB-CG2 4Å; F202-L378 HydrophobicContact CD1-CD1 4.11Å; F202-L378 HydrophobicContact CD1-CD2 4.13Å; F202-L378 HydrophobicContact CE1-CB 4.49Å; F202-L378 HydrophobicContact CE1-CD1 3.47Å; F202-L378 VanDerWaalsContact CE1-CD1 3.47Å; F202-L378 HydrophobicContact CE1-CD2 4.35Å; F202-L378 HydrophobicContact CE1-CG 4.29Å; F202-L378 HydrophobicContact CZ-CD1 3.92Å
203	M	95.3	Very high	95.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135	-171.2	-55.9	-53.8	-81.1	0	0	111.6	F141 A170 Y172 A201 F267 P268 V303 W388	F141-M203 HydrophobicContact CE1-CE 4.25Å; F141-M203 HydrophobicContact CE2-CE 4.41Å; F141-M203 HydrophobicContact CZ-CE 4.13Å; A170-M203 HydrophobicContact CB-SD 3.93Å; Y172-M203 HydrophobicContact CD2-CE 3.1Å; Y172-M203 HydrophobicContact CE2-CE 3.9Å; Y172-M203 HydrophobicContact CG-CE 3.5Å; Y172-M203 VanDerWaalsContact CG-CE 3.5Å; A201-M203 HydrophobicContact CB-SD 3.99Å; A201-M203 WeakPolarHBondContact O-CG 3.43Å; A201-M203 PolarHBondContact O-N 2.92Å; M203-F267 HydrophobicContact CE-CD1 4.28Å; M203-F267 HydrophobicContact CG-CB 4.02Å; M203-F267 HydrophobicContact CG-CD1 4.19Å; M203-F267 HydrophobicContact SD-CD1 3.81Å; M203-P268 PolarHBondContact N-O 3.5Å; M203-P268 VanDerWaalsContact N-O 3.14Å; M203-V303 HydrophobicContact CB-CG2 3.86Å; M203-V303 VanDerWaalsContact O-CG2 3.29Å; M203-V303 WeakPolarHBondContact O-CG2 2.96Å; M203-W388 HydrophobicContact CE-CH2 4.08Å
204	V	95.7	Very high	95.4	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.042	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.5	169.8	-65.3	0	0	0	0	111.2	A170 I171 Y172 I209 I231 I234 V270 M302	A170-V204 WeakPolarHBondContact O-CG2 3.46Å; A170-V204 PolarHBondContact O-N 2.79Å; I171-V204 WeakPolarHBondContact CA-O 3.39Å; I171-V204 HydrophobicContact CD1-CG2 3.38Å; Y172-V204 PolarHBondContact N-O 2.8Å; V204-I209 HydrophobicContact CB-CD1 3.87Å; V204-I209 HydrophobicContact CG1-CD1 4.39Å; V204-I209 HydrophobicContact CG2-CD1 4.33Å; V204-I231 HydrophobicContact CG2-CD1 4.21Å; V204-I231 HydrophobicContact CG2-CG1 4.48Å; V204-I234 HydrophobicContact CG1-CD1 4.35Å; V204-V270 HydrophobicContact CG1-CB 4.32Å; V204-V270 HydrophobicContact CG1-CG2 4.38Å; V204-M302 CarbonylContact C-O 2.99Å; V204-M302 WeakPolarHBondContact CA-O 3.39Å; V204-M302 HydrophobicContact CB-CB 4.44Å; V204-M302 HydrophobicContact CG1-CB 4.01Å
205	D	94.3	Very high	95.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.5	-177.9	174.5	-4.9	0	0	0	109.2	A174 E207 A208 I209 M302 K304	A174-D205 WeakPolarHBondContact CA-OD1 3.29Å; A174-D205 WeakPolarHBondContact CB-OD1 3.46Å; D205-E207 VanDerWaalsContact C-N 3.27Å; D205-E207 PolarHBondContact O-N 2.88Å; D205-E207 WeakPolarHBondContact OD1-CB 3.39Å; D205-E207 PolarHBondContact OD1-N 2.78Å; D205-A208 HydrophobicContact CB-CB 4.12Å; D205-A208 PolarHBondContact O-N 2.79Å; D205-I209 VanDerWaalsContact O-CG1 3.3Å; D205-I209 WeakPolarHBondContact O-CG1 3.36Å; D205-I209 PolarHBondContact O-N 3.04Å; D205-M302 PolarHBondContact N-O 3.04Å; D205-K304 WeakPolarHBondContact OD2-CB 3.44Å; D205-K304 WeakPolarHBondContact OD2-CG 3.31Å
206	N	93.6	Very high	95.1	Very high	23 Å²	23	34.5 Å²	34.5	12%	0.123	16%	0.155	C	C	.	.	H	α-helix	trans	-56.2	-37.9	177.3	-73.8	-36.9	0	0	0	113.1	I171 Y210 L227	I171-N206 WeakPolarHBondContact CG2-ND2 3.31Å; N206-Y210 WeakPolarHBondContact O-CB 3.24Å; N206-Y210 PolarHBondContact O-N 3.27Å; N206-L227 HydrophobicContact CB-CD2 4.03Å
207	E	94.5	Very high	95.1	Very high	20 Å²	20	27 Å²	27	9%	0.093	12%	0.12	C	C	.	.	H	α-helix	trans	-69	-42.8	-179.6	-172.9	-174.2	140.2	0	0	111.5	A174 P175 Q176 V177 D205 Y210 D211 K304	A174-E207 HydrophobicContact CB-CB 3.62Å; P175-E207 WeakPolarHBondContact CD-OE2 3.42Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.43Å; Q176-E207 PolarHBondContact N-OE2 3.29Å; V177-E207 HydrophobicContact CG2-CB 4.12Å; V177-E207 HydrophobicContact CG2-CG 4.27Å; D205-E207 VanDerWaalsContact C-N 3.27Å; D205-E207 PolarHBondContact O-N 2.88Å; D205-E207 WeakPolarHBondContact OD1-CB 3.39Å; D205-E207 PolarHBondContact OD1-N 2.78Å; E207-Y210 PolarHBondContact O-N 3.26Å; E207-D211 PolarHBondContact O-N 3.01Å; E207-K304 HydrophobicContact CB-CG 4.44Å; E207-K304 HydrophobicContact CG-CG 4.49Å; E207-K304 VanDerWaalsContact OE1-CE 3.31Å; E207-K304 WeakPolarHBondContact OE1-CE 3.32Å; E207-K304 IonicContact OE1-NZ 3.38Å
208	A	95.4	Very high	94.9	Very high	5 Å²	5	29.1 Å²	29.1	4%	0.041	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-46.2	175.8	0	0	0	0	0	111.6	D205 D211 I212 M302 K304	D205-A208 HydrophobicContact CB-CB 4.12Å; D205-A208 PolarHBondContact O-N 2.79Å; A208-D211 PolarHBondContact O-N 3.38Å; A208-I212 VanDerWaalsContact O-CG1 3.31Å; A208-I212 WeakPolarHBondContact O-CG1 3.48Å; A208-I212 PolarHBondContact O-N 2.65Å; A208-M302 VanDerWaalsContact CB-C 3.45Å; A208-M302 WeakPolarHBondContact CB-O 3.48Å; A208-K304 HydrophobicContact CB-CD 4.34Å; A208-K304 HydrophobicContact CB-CG 4.21Å
209	I	95.9	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-40.2	178.2	-61.3	172.6	0	0	0	110.8	V204 D205 D211 I212 C213 L227 L230 I231 M302	V204-I209 HydrophobicContact CB-CD1 3.87Å; V204-I209 HydrophobicContact CG1-CD1 4.39Å; V204-I209 HydrophobicContact CG2-CD1 4.33Å; D205-I209 VanDerWaalsContact O-CG1 3.3Å; D205-I209 WeakPolarHBondContact O-CG1 3.36Å; D205-I209 PolarHBondContact O-N 3.04Å; I209-D211 PolarHBondContact O-N 3.11Å; I209-I212 WeakPolarHBondContact O-CB 3.45Å; I209-I212 PolarHBondContact O-N 2.86Å; I209-C213 PolarHBondContact O-N 3.26Å; I209-C213 PolarHBondContact O-SG 2.76Å; I209-C213 VanDerWaalsContact O-SG 3.37Å; I209-L227 HydrophobicContact CB-CG 4.08Å; I209-L227 HydrophobicContact CG2-CB 3.95Å; I209-L227 HydrophobicContact CG2-CD1 4.35Å; I209-L227 HydrophobicContact CG2-CG 3.62Å; I209-L230 HydrophobicContact CG2-CB 4.32Å; I209-L230 HydrophobicContact CG2-CD2 3.83Å; I209-L230 HydrophobicContact CG2-CG 4.44Å; I209-I231 HydrophobicContact CD1-CD1 3.84Å; I209-I231 HydrophobicContact CD1-CG1 3.68Å; I209-M302 HydrophobicContact CD1-SD 4.25Å; I209-M302 HydrophobicContact CG1-CB 4.11Å; I209-M302 HydrophobicContact CG1-CG 4.36Å; I209-M302 HydrophobicContact CG1-SD 3.96Å
210	Y	95.3	Very high	94.6	Very high	76 Å²	76	35.7 Å²	35.7	30%	0.298	16%	0.162	S	C	.	.	H	α-helix	trans	-57.3	-47.6	175.3	-173.9	-80.9	0	0	0	111.5	N206 E207 I212 C213 R214 P222 L227	N206-Y210 WeakPolarHBondContact O-CB 3.24Å; N206-Y210 PolarHBondContact O-N 3.27Å; E207-Y210 PolarHBondContact O-N 3.26Å; Y210-I212 VanDerWaalsContact C-N 3.34Å; Y210-I212 PolarHBondContact O-N 2.83Å; Y210-C213 PolarHBondContact O-N 3.1Å; Y210-R214 WeakPolarHBondContact O-CB 3.42Å; Y210-R214 PolarHBondContact O-N 3.44Å; Y210-P222 HydrophobicContact CD1-CG 4.41Å; Y210-P222 HydrophobicContact CD2-CB 3.79Å; Y210-P222 HydrophobicContact CD2-CG 4.11Å; Y210-P222 HydrophobicContact CE1-CG 4.38Å; Y210-P222 HydrophobicContact CE2-CB 3.93Å; Y210-P222 HydrophobicContact CE2-CG 4.1Å; Y210-P222 VanDerWaalsContact CE2-O 3.22Å; Y210-P222 WeakPolarHBondContact CE2-O 3.25Å; Y210-P222 HydrophobicContact CG-CB 4.31Å; Y210-P222 HydrophobicContact CG-CG 4.27Å; Y210-P222 VanDerWaalsContact CZ-CD 3.49Å; Y210-L227 HydrophobicContact CD2-CD1 4.49Å
211	D	95.7	Very high	94.5	Very high	58 Å²	58	44.8 Å²	44.8	31%	0.31	20%	0.197	S	C	.	.	H	α-helix	trans	-65.8	-36.5	178.3	-77.9	-15.7	0	0	0	112.9	E207 A208 I209 R214 R215 K304	E207-D211 PolarHBondContact O-N 3.01Å; A208-D211 PolarHBondContact O-N 3.38Å; I209-D211 PolarHBondContact O-N 3.11Å; D211-R214 PolarHBondContact O-N 3.18Å; D211-R215 VanDerWaalsContact O-CB 3.24Å; D211-R215 WeakPolarHBondContact O-CB 3.46Å; D211-R215 PolarHBondContact O-N 3.09Å; D211-K304 IonicContact OD2-NZ 3.81Å; D211-K304 PolarHBondContact OD2-NZ 2.75Å
212	I	96.1	Very high	94.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-50.5	172.4	-72.2	166.3	0	0	0	110.3	A208 I209 Y210 R214 R215 N216 L230 I275 M302	A208-I212 VanDerWaalsContact O-CG1 3.31Å; A208-I212 WeakPolarHBondContact O-CG1 3.48Å; A208-I212 PolarHBondContact O-N 2.65Å; I209-I212 WeakPolarHBondContact O-CB 3.45Å; I209-I212 PolarHBondContact O-N 2.86Å; Y210-I212 VanDerWaalsContact C-N 3.34Å; Y210-I212 PolarHBondContact O-N 2.83Å; I212-R214 VanDerWaalsContact C-N 3.31Å; I212-R214 PolarHBondContact O-N 2.82Å; I212-R215 PolarHBondContact O-N 2.78Å; I212-N216 VanDerWaalsContact O-CB 3.27Å; I212-N216 WeakPolarHBondContact O-CB 3.43Å; I212-N216 PolarHBondContact O-N 3.07Å; I212-L230 HydrophobicContact CG2-CD2 3.89Å; I212-I275 HydrophobicContact CG2-CB 4.37Å; I212-I275 HydrophobicContact CG2-CD1 3.45Å; I212-I275 VanDerWaalsContact CG2-CD1 3.45Å; I212-I275 HydrophobicContact CG2-CG1 4.49Å; I212-I275 HydrophobicContact CG2-CG2 3.89Å; I212-M302 HydrophobicContact CD1-CG 4.03Å
213	C	95.2	Very high	94.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-45.1	177.6	-71.4	0	0	0	0	111.4	I209 Y210 L217 P222	I209-C213 PolarHBondContact O-N 3.26Å; I209-C213 PolarHBondContact O-SG 2.76Å; I209-C213 VanDerWaalsContact O-SG 3.37Å; Y210-C213 PolarHBondContact O-N 3.1Å; C213-L217 HydrophobicContact CB-CD1 4.36Å; C213-L217 WeakPolarHBondContact O-CA 3.39Å; C213-L217 VanDerWaalsContact O-CB 3.23Å; C213-L217 WeakPolarHBondContact O-CB 3.29Å; C213-L217 PolarHBondContact O-N 2.83Å; C213-P222 HydrophobicContact CB-CB 3.8Å; C213-P222 HydrophobicContact CB-CG 3.6Å
214	R	95.1	Very high	94.2	Very high	141 Å²	141	53.5 Å²	53.5	53%	0.532	24%	0.24	S	C	.	.	H	α-helix	trans	-64.3	-43.9	-178.4	-175.2	177.2	179.8	-172.1	2.1	113	Y210 D211 I212 I219 P222	Y210-R214 WeakPolarHBondContact O-CB 3.42Å; Y210-R214 PolarHBondContact O-N 3.44Å; D211-R214 PolarHBondContact O-N 3.18Å; I212-R214 VanDerWaalsContact C-N 3.31Å; I212-R214 PolarHBondContact O-N 2.82Å; R214-I219 VanDerWaalsContact CA-O 3.29Å; R214-I219 WeakPolarHBondContact CA-O 3.47Å; R214-P222 HydrophobicContact CB-CG 4.19Å
215	R	94.1	Very high	94.2	Very high	103 Å²	103	56.9 Å²	56.9	39%	0.389	26%	0.261	S	S	.	.	H	α-helix	trans	-78.7	-43.6	-176.2	176.6	176.3	34.1	93.1	4.6	112.8	D211 I212 N299	D211-R215 VanDerWaalsContact O-CB 3.24Å; D211-R215 WeakPolarHBondContact O-CB 3.46Å; D211-R215 PolarHBondContact O-N 3.09Å; I212-R215 PolarHBondContact O-N 2.78Å; R215-N299 PolarHBondContact NH2-O 3.01Å
216	N	93.7	Very high	94.2	Very high	36 Å²	36	57.7 Å²	57.7	19%	0.193	27%	0.265	C	S	.	.	H	α-helix	trans	-95.2	-31.6	-169.5	-69	6.7	0	0	0	112.8	I212 I275	I212-N216 VanDerWaalsContact O-CB 3.27Å; I212-N216 WeakPolarHBondContact O-CB 3.43Å; I212-N216 PolarHBondContact O-N 3.07Å; N216-I275 HydrophobicContact CB-CB 4.48Å; N216-I275 HydrophobicContact CB-CG2 4.12Å; N216-I275 WeakPolarHBondContact CB-O 3.38Å
217	L	93.3	Very high	94.3	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.068	26%	0.261	C	S	.	.	S	Bend	trans	-100.6	0.6	-178.8	-50.6	178.9	0	0	0	113.2	C213 I219 I275 I276 D367 L368	C213-L217 HydrophobicContact CB-CD1 4.36Å; C213-L217 WeakPolarHBondContact O-CA 3.39Å; C213-L217 VanDerWaalsContact O-CB 3.23Å; C213-L217 WeakPolarHBondContact O-CB 3.29Å; C213-L217 PolarHBondContact O-N 2.83Å; L217-I219 HydrophobicContact CB-CD1 3.81Å; L217-I219 HydrophobicContact CB-CG1 3.84Å; L217-I219 HydrophobicContact CD1-CD1 4.08Å; L217-I219 PolarHBondContact O-N 2.91Å; L217-I275 HydrophobicContact CD1-CG2 4.32Å; L217-I275 HydrophobicContact CD2-CG2 3.73Å; L217-I275 HydrophobicContact CG-CG2 4.01Å; L217-I276 VanDerWaalsContact CD2-C 3.49Å; L217-D367 HydrophobicContact CD1-CB 4.16Å; L217-L368 HydrophobicContact CD1-CD2 4.27Å; L217-L368 HydrophobicContact CD2-CD2 3.91Å
218	D	90.5	Very high	94.4	Very high	88 Å²	88	56.5 Å²	56.5	47%	0.471	26%	0.259	S	S	.	.			trans	56.3	26.8	-177.6	-52.7	-59.7	0	0	0	114.2	E220 K280	D218-E220 PolarHBondContact O-N 2.79Å; D218-K280 IonicContact OD1-NZ 2.72Å; D218-K280 PolarHBondContact OD1-NZ 3Å; D218-K280 WeakPolarHBondContact OD2-CE 3.14Å; D218-K280 IonicContact OD2-NZ 2.68Å; D218-K280 PolarHBondContact OD2-NZ 2.73Å
219	I	91.8	Very high	94.4	Very high	27 Å²	27	58.9 Å²	58.9	14%	0.138	27%	0.267	C	S	.	.			trans	-85.6	111.2	178	-54.6	172	0	0	0	108	R214 L217 R221 P222 N226 D367	R214-I219 VanDerWaalsContact CA-O 3.29Å; R214-I219 WeakPolarHBondContact CA-O 3.47Å; L217-I219 HydrophobicContact CB-CD1 3.81Å; L217-I219 HydrophobicContact CB-CG1 3.84Å; L217-I219 HydrophobicContact CD1-CD1 4.08Å; L217-I219 PolarHBondContact O-N 2.91Å; I219-R221 VanDerWaalsContact C-N 3.3Å; I219-R221 PolarHBondContact O-N 3.15Å; I219-P222 HydrophobicContact CB-CG 4.13Å; I219-P222 HydrophobicContact CG2-CB 4.36Å; I219-P222 HydrophobicContact CG2-CG 4.04Å; I219-P222 VanDerWaalsContact O-CD 3.31Å; I219-P222 WeakPolarHBondContact O-CD 3.38Å; I219-N226 HydrophobicContact CD1-CB 4.27Å; I219-D367 HydrophobicContact CD1-CB 3.88Å
220	E	92.4	Very high	94.4	Very high	148 Å²	148	59 Å²	59	69%	0.692	27%	0.268	S	S	*	.	S	Bend	trans	-62	-38.6	-177.4	-168.8	-173	163.2	0	0	112.6	D218	D218-E220 PolarHBondContact O-N 2.79Å
221	R	93.8	Very high	94.5	Very high	191 Å²	191	55.6 Å²	55.6	72%	0.721	26%	0.255	S	S	*	.	S	Bend	trans	-132.7	81	179	-61.7	-175.8	-174.1	-165.5	0.2	110.9	I219	I219-R221 VanDerWaalsContact C-N 3.3Å; I219-R221 PolarHBondContact O-N 3.15Å
222	P	94.8	Very high	94.6	Very high	11 Å²	11	52.9 Å²	52.9	7%	0.071	24%	0.24	C	C	.	.			trans	-54.7	144.9	173.5	-24	32.7	0	0	0	111.7	Y210 C213 R214 I219 L227	Y210-P222 HydrophobicContact CD1-CG 4.41Å; Y210-P222 HydrophobicContact CD2-CB 3.79Å; Y210-P222 HydrophobicContact CD2-CG 4.11Å; Y210-P222 HydrophobicContact CE1-CG 4.38Å; Y210-P222 HydrophobicContact CE2-CB 3.93Å; Y210-P222 HydrophobicContact CE2-CG 4.1Å; Y210-P222 VanDerWaalsContact CE2-O 3.22Å; Y210-P222 WeakPolarHBondContact CE2-O 3.25Å; Y210-P222 HydrophobicContact CG-CB 4.31Å; Y210-P222 HydrophobicContact CG-CG 4.27Å; Y210-P222 VanDerWaalsContact CZ-CD 3.49Å; C213-P222 HydrophobicContact CB-CB 3.8Å; C213-P222 HydrophobicContact CB-CG 3.6Å; R214-P222 HydrophobicContact CB-CG 4.19Å; I219-P222 HydrophobicContact CB-CG 4.13Å; I219-P222 HydrophobicContact CG2-CB 4.36Å; I219-P222 HydrophobicContact CG2-CG 4.04Å; I219-P222 VanDerWaalsContact O-CD 3.31Å; I219-P222 WeakPolarHBondContact O-CD 3.38Å; P222-L227 HydrophobicContact CB-CD1 3.85Å
223	T	94.4	Very high	94.6	Very high	73 Å²	73	53 Å²	53	45%	0.448	24%	0.241	S	C	.	.			trans	-114	165.6	176.7	66.1	0	0	0	0	109.9	T225 N226 L227	T223-T225 PolarHBondContact O-N 3.34Å; T223-T225 VanDerWaalsContact O-N 3.09Å; T223-T225 PolarHBondContact OG1-N 3.24Å; T223-N226 PolarHBondContact N-OD1 3.26Å; T223-N226 WeakPolarHBondContact O-CB 3.44Å; T223-N226 PolarHBondContact O-N 3.3Å; T223-N226 PolarHBondContact OG1-OD1 3.17Å; T223-L227 WeakPolarHBondContact O-CD1 3.46Å; T223-L227 PolarHBondContact O-N 2.8Å; T223-L227 VanDerWaalsContact O-N 3.13Å
224	Y	93.6	Very high	94.6	Very high	101 Å²	101	53.1 Å²	53.1	40%	0.396	24%	0.241	S	C	.	.	H	α-helix	trans	-55.9	-27.7	174.8	-71.6	-67.5	0	0	0	113.2	N226 L227 N228	Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 3.13Å; Y224-L227 HydrophobicContact CD1-CD2 4.16Å; Y224-L227 HydrophobicContact CE1-CD2 4.43Å; Y224-L227 PolarHBondContact O-N 2.9Å; Y224-N228 VanDerWaalsContact O-CB 3.22Å; Y224-N228 WeakPolarHBondContact O-CB 3.31Å; Y224-N228 PolarHBondContact O-N 3.16Å; Y224-N228 PolarHBondContact O-ND2 3.46Å
225	T	94.5	Very high	94.7	Very high	78 Å²	78	46.4 Å²	46.4	48%	0.479	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-41.8	172.2	-54.8	0	0	0	0	112	T223 R229	T223-T225 PolarHBondContact O-N 3.34Å; T223-T225 VanDerWaalsContact O-N 3.09Å; T223-T225 PolarHBondContact OG1-N 3.24Å; T225-R229 WeakPolarHBondContact O-CB 3.37Å; T225-R229 VanDerWaalsContact O-CG 3.27Å; T225-R229 WeakPolarHBondContact O-CG 3.36Å; T225-R229 PolarHBondContact O-N 2.8Å; T225-R229 VanDerWaalsContact O-N 3.13Å
226	N	94.7	Very high	94.7	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.102	20%	0.198	C	C	.	.	H	α-helix	trans	-68.8	-44.5	178.1	-50.5	107.8	0	0	0	110.7	I219 T223 Y224 R229 L230 D367	I219-N226 HydrophobicContact CD1-CB 4.27Å; T223-N226 PolarHBondContact N-OD1 3.26Å; T223-N226 WeakPolarHBondContact O-CB 3.44Å; T223-N226 PolarHBondContact O-N 3.3Å; T223-N226 PolarHBondContact OG1-OD1 3.17Å; Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 3.13Å; N226-R229 PolarHBondContact O-N 2.76Å; N226-L230 PolarHBondContact O-N 3.37Å; N226-L230 VanDerWaalsContact O-N 3.17Å; N226-D367 VanDerWaalsContact ND2-CG 3.35Å; N226-D367 PolarHBondContact ND2-OD1 3.28Å; N226-D367 PolarHBondContact ND2-OD2 2.98Å
227	L	95.5	Very high	94.8	Very high	5 Å²	5	40 Å²	40	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-50.6	178.3	-83	56.2	0	0	0	111	N206 I209 Y210 P222 T223 Y224 R229 L230 I231	N206-L227 HydrophobicContact CB-CD2 4.03Å; I209-L227 HydrophobicContact CB-CG 4.08Å; I209-L227 HydrophobicContact CG2-CB 3.95Å; I209-L227 HydrophobicContact CG2-CD1 4.35Å; I209-L227 HydrophobicContact CG2-CG 3.62Å; Y210-L227 HydrophobicContact CD2-CD1 4.49Å; P222-L227 HydrophobicContact CB-CD1 3.85Å; T223-L227 WeakPolarHBondContact O-CD1 3.46Å; T223-L227 PolarHBondContact O-N 2.8Å; T223-L227 VanDerWaalsContact O-N 3.13Å; Y224-L227 HydrophobicContact CD1-CD2 4.16Å; Y224-L227 HydrophobicContact CE1-CD2 4.43Å; Y224-L227 PolarHBondContact O-N 2.9Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.14Å; L227-L230 WeakPolarHBondContact O-CB 3.34Å; L227-L230 PolarHBondContact O-N 3.48Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 3.16Å
228	N	96.2	Very high	94.8	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-32.2	-178.6	-67	-13.8	0	0	0	112.3	Q15 I16 A19 Y224 I231 S232	Q15-N228 WeakPolarHBondContact CB-ND2 3.22Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.28Å; A19-N228 HydrophobicContact CB-CB 3.93Å; Y224-N228 VanDerWaalsContact O-CB 3.22Å; Y224-N228 WeakPolarHBondContact O-CB 3.31Å; Y224-N228 PolarHBondContact O-N 3.16Å; Y224-N228 PolarHBondContact O-ND2 3.46Å; N228-I231 PolarHBondContact O-N 3.37Å; N228-S232 WeakPolarHBondContact O-CB 3.2Å; N228-S232 PolarHBondContact O-N 2.98Å
229	R	95.8	Very high	95	Very high	56 Å²	56	35.2 Å²	35.2	21%	0.211	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-39	171.8	-79.9	175.1	173.7	162	-1.4	112	T225 N226 L227 S232 Q233	T225-R229 WeakPolarHBondContact O-CB 3.37Å; T225-R229 VanDerWaalsContact O-CG 3.27Å; T225-R229 WeakPolarHBondContact O-CG 3.36Å; T225-R229 PolarHBondContact O-N 2.8Å; T225-R229 VanDerWaalsContact O-N 3.13Å; N226-R229 PolarHBondContact O-N 2.76Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.14Å; R229-S232 PolarHBondContact O-N 3.46Å; R229-S232 PolarHBondContact O-OG 2.83Å; R229-Q233 PolarHBondContact O-N 3.37Å
230	L	95.9	Very high	95	Very high	2 Å²	2	34 Å²	34	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-40.9	175.2	-175.9	53.1	0	0	0	111.5	I209 I212 N226 L227 S232 Q233 I234 I275 M302	I209-L230 HydrophobicContact CG2-CB 4.32Å; I209-L230 HydrophobicContact CG2-CD2 3.83Å; I209-L230 HydrophobicContact CG2-CG 4.44Å; I212-L230 HydrophobicContact CG2-CD2 3.89Å; N226-L230 PolarHBondContact O-N 3.37Å; N226-L230 VanDerWaalsContact O-N 3.17Å; L227-L230 WeakPolarHBondContact O-CB 3.34Å; L227-L230 PolarHBondContact O-N 3.48Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 3.13Å; L230-Q233 WeakPolarHBondContact O-CB 3.31Å; L230-Q233 PolarHBondContact O-N 2.98Å; L230-I234 PolarHBondContact O-N 3.36Å; L230-I275 HydrophobicContact CD1-CD1 3.83Å; L230-I275 HydrophobicContact CD1-CG1 3.97Å; L230-I275 HydrophobicContact CD1-CG2 4.49Å; L230-I275 HydrophobicContact CD2-CD1 3.86Å; L230-I275 HydrophobicContact CD2-CG2 4.47Å; L230-I275 HydrophobicContact CG-CD1 4.45Å; L230-M302 HydrophobicContact CD1-CE 4.02Å; L230-M302 HydrophobicContact CD2-CE 4.02Å; L230-M302 HydrophobicContact CD2-SD 4.46Å; L230-M302 HydrophobicContact CG-CE 3.84Å; L230-M302 HydrophobicContact CG-SD 4.36Å
231	I	97.1	Very high	94.9	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-40.7	172.3	-62.1	167.1	0	0	0	110.7	I16 I171 V204 I209 L227 N228 Q233 I234 V235	I16-I231 HydrophobicContact CD1-CD1 4.18Å; I16-I231 HydrophobicContact CG1-CD1 4.23Å; I16-I231 HydrophobicContact CG2-CG2 3.72Å; I171-I231 HydrophobicContact CD1-CD1 3.55Å; V204-I231 HydrophobicContact CG2-CD1 4.21Å; V204-I231 HydrophobicContact CG2-CG1 4.48Å; I209-I231 HydrophobicContact CD1-CD1 3.84Å; I209-I231 HydrophobicContact CD1-CG1 3.68Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 3.16Å; N228-I231 PolarHBondContact O-N 3.37Å; I231-Q233 PolarHBondContact O-N 3.17Å; I231-I234 VanDerWaalsContact O-CB 3.3Å; I231-I234 WeakPolarHBondContact O-CB 3.46Å; I231-I234 PolarHBondContact O-N 3.04Å; I231-I234 VanDerWaalsContact O-N 3.09Å; I231-V235 HydrophobicContact CG2-CG2 4.08Å; I231-V235 VanDerWaalsContact O-CG2 3.26Å; I231-V235 WeakPolarHBondContact O-CG2 3.46Å; I231-V235 PolarHBondContact O-N 3.02Å
232	S	97.1	Very high	94.7	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-59.6	-33.5	177.6	76.4	0	0	0	0	113.2	L23 N228 R229 L230 V235 S236	L23-S232 WeakPolarHBondContact CD2-O 3.33Å; N228-S232 WeakPolarHBondContact O-CB 3.2Å; N228-S232 PolarHBondContact O-N 2.98Å; R229-S232 PolarHBondContact O-N 3.46Å; R229-S232 PolarHBondContact O-OG 2.83Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 3.13Å; S232-V235 PolarHBondContact O-N 2.85Å; S232-S236 WeakPolarHBondContact O-CB 3.25Å; S232-S236 PolarHBondContact O-N 2.78Å
233	Q	96.7	Very high	94.4	Very high	5 Å²	5	18.5 Å²	18.5	2%	0.023	10%	0.095	C	C	.	.	H	α-helix	trans	-67.3	-38.9	175.8	-67.8	-63.1	-35.5	0	0	112.7	R229 L230 I231 S237 Y272 T361 L368	R229-Q233 PolarHBondContact O-N 3.37Å; L230-Q233 WeakPolarHBondContact O-CB 3.31Å; L230-Q233 PolarHBondContact O-N 2.98Å; I231-Q233 PolarHBondContact O-N 3.17Å; Q233-S237 WeakPolarHBondContact O-CB 3.49Å; Q233-S237 PolarHBondContact O-N 2.83Å; Q233-S237 PolarHBondContact O-OG 3.39Å; Q233-Y272 HydrophobicContact CB-CE1 4.47Å; Q233-Y272 HydrophobicContact CB-CE2 4.16Å; Q233-T361 PolarHBondContact NE2-O 3.01Å; Q233-L368 HydrophobicContact CG-CD1 3.62Å
234	I	95.8	Very high	94.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-61.4	-53.1	174	-65.7	161.2	0	0	0	109.4	V204 L230 I231 S236 S237 I238 V270 M302	V204-I234 HydrophobicContact CG1-CD1 4.35Å; L230-I234 PolarHBondContact O-N 3.36Å; I231-I234 VanDerWaalsContact O-CB 3.3Å; I231-I234 WeakPolarHBondContact O-CB 3.46Å; I231-I234 PolarHBondContact O-N 3.04Å; I231-I234 VanDerWaalsContact O-N 3.09Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 3.35Å; I234-S237 WeakPolarHBondContact O-CA 3.25Å; I234-S237 WeakPolarHBondContact O-CB 3.36Å; I234-S237 PolarHBondContact O-N 3.34Å; I234-I238 HydrophobicContact CG2-CD1 3.52Å; I234-I238 HydrophobicContact CG2-CG1 4.44Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; I234-I238 PolarHBondContact O-N 2.8Å; I234-V270 HydrophobicContact CB-CG1 4.24Å; I234-V270 HydrophobicContact CD1-CG1 3.73Å; I234-V270 HydrophobicContact CG1-CG1 3.78Å; I234-V270 HydrophobicContact CG2-CG1 3.49Å; I234-V270 VanDerWaalsContact CG2-CG1 3.49Å; I234-V270 HydrophobicContact CG2-CG2 4.4Å; I234-M302 HydrophobicContact CD1-CE 3.5Å; I234-M302 VanDerWaalsContact CD1-CE 3.5Å; I234-M302 HydrophobicContact CD1-SD 3.16Å; I234-M302 WeakPolarHBondContact CD1-SD 3.43Å; I234-M302 HydrophobicContact CG1-CE 3.94Å; I234-M302 HydrophobicContact CG1-SD 4.23Å
235	V	96.5	Very high	93.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-42.4	-177.6	-178.5	0	0	0	0	109.9	F24 F138 F169 I231 S232 S237 I238 T239	F24-V235 HydrophobicContact CZ-CG1 3.93Å; F138-V235 HydrophobicContact CE1-CB 4.41Å; F138-V235 HydrophobicContact CE1-CG1 3.75Å; F138-V235 HydrophobicContact CE1-CG2 3.73Å; F138-V235 HydrophobicContact CZ-CG1 3.69Å; F169-V235 HydrophobicContact CD1-CG2 3.7Å; F169-V235 HydrophobicContact CE1-CB 4.28Å; F169-V235 HydrophobicContact CE1-CG1 4.29Å; F169-V235 HydrophobicContact CE1-CG2 3.76Å; F169-V235 HydrophobicContact CE2-CG1 4.33Å; F169-V235 HydrophobicContact CG-CG2 4.2Å; F169-V235 HydrophobicContact CZ-CG1 4.05Å; F169-V235 HydrophobicContact CZ-CG2 4.33Å; I231-V235 HydrophobicContact CG2-CG2 4.08Å; I231-V235 VanDerWaalsContact O-CG2 3.26Å; I231-V235 WeakPolarHBondContact O-CG2 3.46Å; I231-V235 PolarHBondContact O-N 3.02Å; S232-V235 PolarHBondContact O-N 2.85Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 2.68Å; V235-I238 PolarHBondContact O-N 3.12Å; V235-T239 HydrophobicContact CG1-CG2 4.4Å; V235-T239 WeakPolarHBondContact O-CB 3.49Å; V235-T239 VanDerWaalsContact O-CG2 3.28Å; V235-T239 WeakPolarHBondContact O-CG2 3.5Å; V235-T239 PolarHBondContact O-N 3.46Å; V235-T239 PolarHBondContact O-OG1 3.02Å
236	S	95.6	Very high	93.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.6	-41	173	171.5	0	0	0	0	112.1	E27 S232 I234 T239 A240 R243 R320	E27-S236 PolarHBondContact OE1-OG 2.8Å; E27-S236 PolarHBondContact OE2-OG 3.01Å; E27-S236 VanDerWaalsContact OE2-OG 3.14Å; S232-S236 WeakPolarHBondContact O-CB 3.25Å; S232-S236 PolarHBondContact O-N 2.78Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 3.35Å; S236-T239 PolarHBondContact O-N 3.15Å; S236-T239 PolarHBondContact O-OG1 3.47Å; S236-A240 WeakPolarHBondContact O-CA 3.46Å; S236-A240 WeakPolarHBondContact O-CB 3.13Å; S236-A240 PolarHBondContact O-N 3.37Å; S236-R243 PolarHBondContact O-NH2 2.84Å; S236-R243 PolarHBondContact OG-NH2 3.49Å; S236-R243 VanDerWaalsContact OG-NH2 3.11Å; S236-R320 PolarHBondContact O-NH1 3.37Å; S236-R320 PolarHBondContact OG-NH1 3.2Å; S236-R320 VanDerWaalsContact OG-NH1 3.17Å
237	S	95	Very high	92.5	Very high	4 Å²	4	15 Å²	15	3%	0.028	9%	0.085	C	C	.	.	H	α-helix	trans	-70.4	-40.5	-178.8	-59.6	0	0	0	0	112.7	Q233 I234 V235 T239 A240 Y272	Q233-S237 WeakPolarHBondContact O-CB 3.49Å; Q233-S237 PolarHBondContact O-N 2.83Å; Q233-S237 PolarHBondContact O-OG 3.39Å; I234-S237 WeakPolarHBondContact O-CA 3.25Å; I234-S237 WeakPolarHBondContact O-CB 3.36Å; I234-S237 PolarHBondContact O-N 3.34Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 2.68Å; S237-T239 VanDerWaalsContact C-N 3.32Å; S237-T239 PolarHBondContact O-N 3.34Å; S237-A240 WeakPolarHBondContact O-CB 3.37Å; S237-A240 PolarHBondContact O-N 3.08Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.46Å
238	I	93.9	Very high	91.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-38.4	175.6	-68.5	163.3	0	0	0	111.3	F169 F202 I234 V235 F255 L318 L378	F169-I238 HydrophobicContact CE1-CD1 3.58Å; F169-I238 HydrophobicContact CE1-CG2 4.49Å; F169-I238 HydrophobicContact CZ-CB 4.47Å; F169-I238 HydrophobicContact CZ-CD1 4.25Å; F169-I238 HydrophobicContact CZ-CG2 4.1Å; F202-I238 HydrophobicContact CD2-CD1 4.14Å; F202-I238 HydrophobicContact CE2-CD1 4.33Å; F202-I238 HydrophobicContact CE2-CG2 3.98Å; F202-I238 HydrophobicContact CG-CD1 4.26Å; F202-I238 HydrophobicContact CZ-CG2 4.27Å; I234-I238 HydrophobicContact CG2-CD1 3.52Å; I234-I238 HydrophobicContact CG2-CG1 4.44Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; I234-I238 PolarHBondContact O-N 2.8Å; V235-I238 PolarHBondContact O-N 3.12Å; I238-F255 HydrophobicContact CG2-CE2 3.8Å; I238-F255 HydrophobicContact CG2-CZ 3.81Å; I238-L318 HydrophobicContact CB-CD1 4.34Å; I238-L318 HydrophobicContact CG1-CD1 3.9Å; I238-L378 HydrophobicContact CD1-CD1 4.16Å; I238-L378 HydrophobicContact CD1-CD2 3.66Å; I238-L378 HydrophobicContact CG1-CD1 3.83Å; I238-L378 HydrophobicContact CG1-CD2 3.93Å; I238-L378 HydrophobicContact CG1-CG 4.36Å
239	T	93.3	Very high	90.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-93.3	-0.8	-176.4	61.6	0	0	0	0	113.7	F52 L136 V235 S236 S237 S241 L242 R243	F52-T239 HydrophobicContact CE2-CG2 4.18Å; F52-T239 HydrophobicContact CZ-CG2 3.62Å; L136-T239 HydrophobicContact CD1-CG2 3.73Å; V235-T239 HydrophobicContact CG1-CG2 4.4Å; V235-T239 WeakPolarHBondContact O-CB 3.49Å; V235-T239 VanDerWaalsContact O-CG2 3.28Å; V235-T239 WeakPolarHBondContact O-CG2 3.5Å; V235-T239 PolarHBondContact O-N 3.46Å; V235-T239 PolarHBondContact O-OG1 3.02Å; S236-T239 PolarHBondContact O-N 3.15Å; S236-T239 PolarHBondContact O-OG1 3.47Å; S237-T239 VanDerWaalsContact C-N 3.32Å; S237-T239 PolarHBondContact O-N 3.34Å; T239-S241 VanDerWaalsContact C-N 3.35Å; T239-S241 PolarHBondContact O-N 3.19Å; T239-L242 WeakPolarHBondContact O-CB 3.4Å; T239-L242 PolarHBondContact O-N 3.41Å; T239-R243 PolarHBondContact O-NE 3.01Å; T239-R243 PolarHBondContact OG1-NE 3.06Å
240	A	92.8	Very high	89.5	Confident	2 Å²	2	18.9 Å²	18.9	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-59.1	-44.1	-174.7	0	0	0	0	0	112.4	S236 S237 L242 R243 F244 N356	S236-A240 WeakPolarHBondContact O-CA 3.46Å; S236-A240 WeakPolarHBondContact O-CB 3.13Å; S236-A240 PolarHBondContact O-N 3.37Å; S237-A240 WeakPolarHBondContact O-CB 3.37Å; S237-A240 PolarHBondContact O-N 3.08Å; A240-L242 PolarHBondContact O-N 2.63Å; A240-R243 CarbonylContact O-C 3.53Å; A240-R243 PolarHBondContact O-N 2.82Å; A240-F244 PolarHBondContact O-N 2.84Å; A240-N356 HydrophobicContact CB-CB 4.1Å; A240-N356 PolarHBondContact O-ND2 3.15Å
241	S	89.9	Confident	88.8	Confident	12 Å²	12	20.5 Å²	20.5	8%	0.084	12%	0.118	C	C	.	.	H	α-helix	trans	-67.4	-13.6	-178.4	50.4	0	0	0	0	114	T239 V250	T239-S241 VanDerWaalsContact C-N 3.35Å; T239-S241 PolarHBondContact O-N 3.19Å; S241-V250 WeakPolarHBondContact CB-O 3.27Å; S241-V250 PolarHBondContact OG-O 3.12Å
242	L	88.6	Confident	88.2	Confident	10 Å²	10	20.4 Å²	20.4	5%	0.052	12%	0.117	C	C	.	.	H	α-helix	trans	-89.8	-18.1	173.1	-53.5	-177.6	0	0	0	112.8	T51 T239 A240 L252	T51-L242 HydrophobicContact CG2-CB 3.9Å; T51-L242 PolarHBondContact OG1-O 3.05Å; T239-L242 WeakPolarHBondContact O-CB 3.4Å; T239-L242 PolarHBondContact O-N 3.41Å; A240-L242 PolarHBondContact O-N 2.63Å; L242-L252 HydrophobicContact CD1-CD1 4.22Å; L242-L252 HydrophobicContact CD1-CD2 3.58Å; L242-L252 HydrophobicContact CD1-CG 3.8Å; L242-L252 HydrophobicContact CD2-CD2 4.46Å; L242-L252 HydrophobicContact CD2-CG 4.34Å; L242-L252 HydrophobicContact CG-CD2 4.35Å
243	R	90.3	Very high	87.6	Confident	2 Å²	2	23.4 Å²	23.4	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-124.3	-9.5	-167.2	-63.7	-174.7	-62	119.8	-2.5	114.1	E27 H28 S48 T51 F52 S236 T239 A240	E27-R243 IonicContact OE2-CZ 3.98Å; E27-R243 IonicContact OE2-NH1 2.82Å; E27-R243 PolarHBondContact OE2-NH1 2.92Å; E27-R243 IonicContact OE2-NH2 3.21Å; E27-R243 PolarHBondContact OE2-NH2 3.03Å; H28-R243 PolarHBondContact NE2-NH1 2.68Å; H28-R243 VanDerWaalsContact NE2-NH1 3.12Å; S48-R243 WeakPolarHBondContact CB-O 3.15Å; S48-R243 PolarHBondContact OG-O 2.99Å; T51-R243 HydrophobicContact CG2-CG 4Å; F52-R243 VanDerWaalsContact CD2-CD 3.45Å; F52-R243 HydrophobicContact CD2-CG 4.45Å; F52-R243 VanDerWaalsContact CE2-CD 3.45Å; F52-R243 HydrophobicContact CE2-CG 4.39Å; F52-R243 HydrophobicContact CZ-CG 4.45Å; S236-R243 PolarHBondContact O-NH2 2.84Å; S236-R243 PolarHBondContact OG-NH2 3.49Å; S236-R243 VanDerWaalsContact OG-NH2 3.11Å; T239-R243 PolarHBondContact O-NE 3.01Å; T239-R243 PolarHBondContact OG1-NE 3.06Å; A240-R243 CarbonylContact O-C 3.53Å; A240-R243 PolarHBondContact O-N 2.82Å
244	F	89.7	Confident	87.2	Confident	22 Å²	22	25.7 Å²	25.7	10%	0.096	15%	0.146	C	C	.	.	S	Bend	trans	-148.7	150	-179.3	-58.8	-63.7	0	0	0	109	E27 H28 A240 N356 Q358	E27-F244 HydrophobicContact CB-CE2 4.46Å; E27-F244 HydrophobicContact CB-CZ 3.93Å; H28-F244 AromaticContact CE1-CE1 3.48Å; H28-F244 VanDerWaalsContact CE1-CE1 3.48Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.21Å; H28-F244 AromaticContact CE1-CZ 3.46Å; H28-F244 VanDerWaalsContact CE1-CZ 3.46Å; H28-F244 WeakPolarHBondContact CE1-CZ 2.97Å; H28-F244 AromaticContact ND1-CE1 3.77Å; H28-F244 AromaticContact ND1-CZ 3.94Å; H28-F244 AromaticContact NE2-CZ 3.79Å; A240-F244 PolarHBondContact O-N 2.84Å; F244-N356 WeakPolarHBondContact CB-ND2 3.4Å; F244-N356 PolarHBondContact O-ND2 2.86Å; F244-Q358 HydrophobicContact CB-CB 4.43Å; F244-Q358 HydrophobicContact CD2-CB 4.32Å; F244-Q358 HydrophobicContact CD2-CG 4.49Å; F244-Q358 HydrophobicContact CG-CB 4.2Å
245	D	84.8	Confident	86.9	Confident	130 Å²	130	25.6 Å²	25.6	70%	0.695	15%	0.146	S	C	*	.			trans	-65.2	149.8	174.5	-75.3	-27.3	0	0	0	112.2	N356 Y357	D245-N356 PolarHBondContact O-ND2 2.87Å; D245-Y357 PolarHBondContact O-N 2.91Å
246	G	83.1	Confident	86.5	Confident	22 Å²	22	29 Å²	29	23%	0.227	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	172.7	-175.7	0	0	0	0	0	112.1	N249 I355	G246-N249 WeakPolarHBondContact CA-OD1 3.48Å; G246-I355 CarbonylContact C-O 3.52Å; G246-I355 WeakPolarHBondContact CA-O 3.1Å
247	A	78.4	Confident	86.2	Confident	23 Å²	23	33.7 Å²	33.7	19%	0.19	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	141.7	167.3	0	0	0	0	0	109.2	N249 I355 Y357	A247-N249 VanDerWaalsContact C-N 3.29Å; A247-N249 PolarHBondContact O-N 2.75Å; A247-I355 HydrophobicContact CB-CB 4.43Å; A247-I355 PolarHBondContact N-O 3.02Å; A247-I355 PolarHBondContact O-N 2.82Å; A247-Y357 HydrophobicContact CB-CE1 4.47Å
248	L	76.7	Confident	85.9	Confident	105 Å²	105	36.3 Å²	36.3	55%	0.55	20%	0.204	S	C	.	.	S	Bend	trans	59.5	39.2	178.4	-48.6	168.2	0	0	0	112.5	V250 V353 G354	L248-V250 PolarHBondContact O-N 2.84Å; L248-V353 VanDerWaalsContact CB-O 3.23Å; L248-V353 WeakPolarHBondContact CB-O 3.3Å; L248-V353 HydrophobicContact CD1-CB 4.23Å; L248-V353 HydrophobicContact CD1-CG1 4.07Å; L248-G354 WeakPolarHBondContact O-CA 3.39Å
249	N	73.7	Confident	85.8	Confident	49 Å²	49	36.4 Å²	36.4	26%	0.262	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-54.2	128	178.9	-79.5	-11.8	0	0	0	111	G246 A247	G246-N249 WeakPolarHBondContact CA-OD1 3.48Å; A247-N249 VanDerWaalsContact C-N 3.29Å; A247-N249 PolarHBondContact O-N 2.75Å
250	V	75.5	Confident	85.8	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-93.5	125.1	179.3	-176.1	0	0	0	0	108.5	S241 L248 E254 F255 L318 K352	S241-V250 WeakPolarHBondContact CB-O 3.27Å; S241-V250 PolarHBondContact OG-O 3.12Å; L248-V250 PolarHBondContact O-N 2.84Å; V250-E254 HydrophobicContact CG1-CB 3.66Å; V250-F255 HydrophobicContact CB-CZ 4.43Å; V250-F255 HydrophobicContact CG1-CD1 4.16Å; V250-F255 HydrophobicContact CG1-CE1 3.86Å; V250-F255 HydrophobicContact CG1-CE2 4.29Å; V250-F255 HydrophobicContact CG1-CG 4.49Å; V250-F255 HydrophobicContact CG1-CZ 3.93Å; V250-L318 HydrophobicContact CG2-CD2 4.11Å; V250-K352 HydrophobicContact CG2-CG 4.49Å
251	D	81.3	Confident	85.7	Confident	36 Å²	36	39.5 Å²	39.5	19%	0.193	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-81.8	164.9	172	-158.5	8	0	0	0	111.6	Q133 T253 E254	Q133-D251 PolarHBondContact NE2-OD1 3.46Å; Q133-D251 PolarHBondContact NE2-OD2 3.3Å; Q133-D251 PolarHBondContact OE1-OD1 3.14Å; D251-T253 VanDerWaalsContact C-N 3.3Å; D251-T253 PolarHBondContact O-N 2.69Å; D251-E254 HydrophobicContact CB-CG 4.32Å; D251-E254 WeakPolarHBondContact O-CB 3.44Å; D251-E254 PolarHBondContact O-N 3.15Å
252	L	83.8	Confident	85.8	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-39.8	-179.7	-68.5	-168	0	0	0	113.1	Q133 L136 L167 L242 E254 F255	Q133-L252 HydrophobicContact CB-CD1 4.3Å; L136-L252 HydrophobicContact CD2-CD1 4.25Å; L136-L252 HydrophobicContact CD2-CD2 4.49Å; L167-L252 HydrophobicContact CD1-CB 4.12Å; L167-L252 HydrophobicContact CD1-CD1 4.25Å; L167-L252 HydrophobicContact CD1-CD2 3.48Å; L167-L252 VanDerWaalsContact CD1-CD2 3.48Å; L167-L252 HydrophobicContact CD1-CG 4.15Å; L242-L252 HydrophobicContact CD1-CD1 4.22Å; L242-L252 HydrophobicContact CD1-CD2 3.58Å; L242-L252 HydrophobicContact CD1-CG 3.8Å; L242-L252 HydrophobicContact CD2-CD2 4.46Å; L242-L252 HydrophobicContact CD2-CG 4.34Å; L242-L252 HydrophobicContact CG-CD2 4.35Å; L252-E254 PolarHBondContact O-N 3.28Å; L252-F255 HydrophobicContact CD2-CD2 4.29Å; L252-F255 HydrophobicContact CD2-CE2 4.2Å; L252-F255 PolarHBondContact O-N 2.77Å
253	T	85.3	Confident	85.9	Confident	65 Å²	65	49.6 Å²	49.6	40%	0.399	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-25.9	176.4	52.3	0	0	0	0	112.3	D251 F255 Q256 T257	D251-T253 VanDerWaalsContact C-N 3.3Å; D251-T253 PolarHBondContact O-N 2.69Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.01Å; T253-Q256 PolarHBondContact O-N 2.62Å; T253-T257 PolarHBondContact O-N 3.03Å; T253-T257 VanDerWaalsContact O-N 3.16Å
254	E	87.7	Confident	86.1	Confident	52 Å²	52	52.7 Å²	52.7	24%	0.243	29%	0.287	C	S	.	.	H	α-helix	trans	-71.9	-22.5	176.9	-74.8	-170.1	-134.1	0	0	112.7	V250 D251 L252 T257 N258 K352	V250-E254 HydrophobicContact CG1-CB 3.66Å; D251-E254 HydrophobicContact CB-CG 4.32Å; D251-E254 WeakPolarHBondContact O-CB 3.44Å; D251-E254 PolarHBondContact O-N 3.15Å; L252-E254 PolarHBondContact O-N 3.28Å; E254-T257 WeakPolarHBondContact CA-OG1 3.39Å; E254-T257 PolarHBondContact O-OG1 3.07Å; E254-N258 WeakPolarHBondContact CB-ND2 3.49Å; E254-N258 WeakPolarHBondContact O-CB 3.45Å; E254-N258 VanDerWaalsContact O-CG 3.27Å; E254-N258 PolarHBondContact O-N 3.02Å; E254-N258 PolarHBondContact O-ND2 2.87Å; E254-K352 WeakPolarHBondContact OE2-CE 3.23Å; E254-K352 IonicContact OE2-NZ 2.76Å; E254-K352 PolarHBondContact OE2-NZ 2.91Å
255	F	89.2	Confident	86.3	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-46	171.4	-69.9	-60.6	0	0	0	110.7	L167 F202 I238 V250 L252 T253 L259 L318 L378	L167-F255 HydrophobicContact CD1-CD2 4.12Å; F202-F255 HydrophobicContact CZ-CB 4.35Å; F202-F255 HydrophobicContact CZ-CD1 4.37Å; F202-F255 HydrophobicContact CZ-CD2 4.4Å; F202-F255 HydrophobicContact CZ-CG 4.13Å; I238-F255 HydrophobicContact CG2-CE2 3.8Å; I238-F255 HydrophobicContact CG2-CZ 3.81Å; V250-F255 HydrophobicContact CB-CZ 4.43Å; V250-F255 HydrophobicContact CG1-CD1 4.16Å; V250-F255 HydrophobicContact CG1-CE1 3.86Å; V250-F255 HydrophobicContact CG1-CE2 4.29Å; V250-F255 HydrophobicContact CG1-CG 4.49Å; V250-F255 HydrophobicContact CG1-CZ 3.93Å; L252-F255 HydrophobicContact CD2-CD2 4.29Å; L252-F255 HydrophobicContact CD2-CE2 4.2Å; L252-F255 PolarHBondContact O-N 2.77Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.01Å; F255-L259 HydrophobicContact CB-CD1 4.35Å; F255-L259 HydrophobicContact CD1-CD1 3.88Å; F255-L259 WeakPolarHBondContact O-CB 3.37Å; F255-L259 PolarHBondContact O-N 3.2Å; F255-L318 HydrophobicContact CE1-CD1 4.1Å; F255-L318 HydrophobicContact CE1-CD2 4.37Å; F255-L318 HydrophobicContact CZ-CD1 4.11Å; F255-L378 HydrophobicContact CD1-CD1 3.81Å; F255-L378 HydrophobicContact CE1-CD1 3.52Å; F255-L378 HydrophobicContact CZ-CD1 4.32Å
256	Q	88.5	Confident	86.9	Confident	71 Å²	71	45.6 Å²	45.6	33%	0.332	25%	0.25	S	C	.	.	H	α-helix	trans	-59.1	-54.4	175.2	-174.5	178.9	30.8	0	0	110.8	D199 T253 N258 V260	D199-Q256 HydrophobicContact CB-CG 4.45Å; D199-Q256 PolarHBondContact OD1-NE2 2.92Å; D199-Q256 PolarHBondContact OD1-OE1 2.92Å; T253-Q256 PolarHBondContact O-N 2.62Å; Q256-N258 VanDerWaalsContact C-N 3.33Å; Q256-N258 PolarHBondContact O-N 2.79Å; Q256-V260 WeakPolarHBondContact O-CA 3.45Å; Q256-V260 WeakPolarHBondContact O-CB 3.34Å; Q256-V260 PolarHBondContact O-N 3.34Å
257	T	89.1	Confident	87.5	Confident	99 Å²	99	44.5 Å²	44.5	61%	0.607	24%	0.239	S	C	*	.	H	α-helix	trans	-67.6	-29	-174.4	61.7	0	0	0	0	114.4	T253 E254	T253-T257 PolarHBondContact O-N 3.03Å; T253-T257 VanDerWaalsContact O-N 3.16Å; E254-T257 WeakPolarHBondContact CA-OG1 3.39Å; E254-T257 PolarHBondContact O-OG1 3.07Å
258	N	89.4	Confident	88.4	Confident	59 Å²	59	43.4 Å²	43.4	32%	0.316	23%	0.23	S	C	.	.	H	α-helix	trans	-97.6	-25.6	-176.7	-62.3	-58.2	0	0	0	113.9	E254 Q256 A314 K352	E254-N258 WeakPolarHBondContact CB-ND2 3.49Å; E254-N258 WeakPolarHBondContact O-CB 3.45Å; E254-N258 VanDerWaalsContact O-CG 3.27Å; E254-N258 PolarHBondContact O-N 3.02Å; E254-N258 PolarHBondContact O-ND2 2.87Å; Q256-N258 VanDerWaalsContact C-N 3.33Å; Q256-N258 PolarHBondContact O-N 2.79Å; N258-A314 WeakPolarHBondContact O-CB 3.5Å; N258-K352 HydrophobicContact CB-CB 4.27Å; N258-K352 HydrophobicContact CB-CG 4.37Å
259	L	91.5	Very high	89.3	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-103.5	-23.1	-178.2	-65.6	169.8	0	0	0	113.4	F202 F255 P261 P268 A314 C316 L378 N380	F202-L259 HydrophobicContact CE1-CD1 4.26Å; F255-L259 HydrophobicContact CB-CD1 4.35Å; F255-L259 HydrophobicContact CD1-CD1 3.88Å; F255-L259 WeakPolarHBondContact O-CB 3.37Å; F255-L259 PolarHBondContact O-N 3.2Å; L259-P261 VanDerWaalsContact O-CD 3.26Å; L259-P261 WeakPolarHBondContact O-CD 3.33Å; L259-P268 HydrophobicContact CB-CG 4.09Å; L259-P268 HydrophobicContact CD1-CB 4.46Å; L259-P268 HydrophobicContact CD1-CG 4.06Å; L259-A314 HydrophobicContact CD2-CB 4.16Å; L259-C316 HydrophobicContact CD1-CB 4.19Å; L259-C316 HydrophobicContact CD2-CB 3.75Å; L259-C316 HydrophobicContact CG-CB 4.18Å; L259-L378 HydrophobicContact CD1-CB 3.8Å; L259-L378 HydrophobicContact CD1-CD1 4.09Å; L259-L378 HydrophobicContact CD2-CB 4.43Å; L259-L378 WeakPolarHBondContact CD2-O 3.46Å; L259-N380 VanDerWaalsContact O-CB 3.26Å; L259-N380 WeakPolarHBondContact O-CB 3.39Å; L259-N380 PolarHBondContact O-ND2 3.27Å
260	V	92.8	Very high	90.4	Very high	19 Å²	19	36.1 Å²	36.1	12%	0.115	19%	0.191	C	C	.	.			trans	-110.2	96.9	-170	-175.8	0	0	0	0	109.7	Q256 Y262 H266	Q256-V260 WeakPolarHBondContact O-CA 3.45Å; Q256-V260 WeakPolarHBondContact O-CB 3.34Å; Q256-V260 PolarHBondContact O-N 3.34Å; V260-Y262 WeakPolarHBondContact CG1-O 3.08Å; V260-H266 HydrophobicContact CB-CB 4.46Å; V260-H266 HydrophobicContact CG1-CB 3.77Å; V260-H266 HydrophobicContact CG2-CB 3.8Å
261	P	90.6	Very high	91.4	Very high	49 Å²	49	36 Å²	36	32%	0.318	19%	0.191	S	C	.	.	S	Bend	trans	-70.8	-34.5	179.7	27.8	-33.6	0	0	0	112.3	L259 I265 M313 W346 N380	L259-P261 VanDerWaalsContact O-CD 3.26Å; L259-P261 WeakPolarHBondContact O-CD 3.33Å; P261-I265 HydrophobicContact CG-CG2 4.35Å; P261-M313 HydrophobicContact CG-SD 4.02Å; P261-W346 HydrophobicContact CB-CH2 3.77Å; P261-W346 HydrophobicContact CB-CZ3 4.16Å; P261-W346 HydrophobicContact CG-CH2 4.11Å; P261-N380 WeakPolarHBondContact CD-ND2 3.07Å
262	Y	91.7	Very high	92.2	Very high	122 Å²	122	34.7 Å²	34.7	48%	0.478	18%	0.183	S	C	.	.	S	Bend	trans	-132.8	141.1	177.7	-60.5	-81	0	0	0	109.2	V260 R264 I265 V435	V260-Y262 WeakPolarHBondContact CG1-O 3.08Å; Y262-R264 PolarHBondContact O-N 3.46Å; Y262-I265 HydrophobicContact CD2-CD1 3.95Å; Y262-I265 PolarHBondContact O-N 3.02Å; Y262-V435 HydrophobicContact CD2-CG1 3.85Å; Y262-V435 HydrophobicContact CE2-CG1 3.53Å
263	P	91.6	Very high	92.8	Very high	111 Å²	111	34.8 Å²	34.8	72%	0.721	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-34.7	-174.4	-30.4	35.9	0	0	0	115.1	H266	P263-H266 PolarHBondContact O-ND1 2.75Å
264	R	94.1	Very high	93.3	Very high	67 Å²	67	32.4 Å²	32.4	25%	0.253	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-24	178.7	-67.5	172.9	61.7	88.6	2.9	113.6	L195 Y262 H266 D424 L428 D431	L195-R264 HydrophobicContact CD2-CG 4.23Å; L195-R264 VanDerWaalsContact CD2-CZ 3.44Å; L195-R264 HydrophobicContact CG-CG 4.48Å; Y262-R264 PolarHBondContact O-N 3.46Å; R264-H266 VanDerWaalsContact C-N 3.33Å; R264-H266 PolarHBondContact O-N 3.33Å; R264-D424 IonicContact CZ-OD1 3.1Å; R264-D424 IonicContact NH1-OD1 2.82Å; R264-D424 PolarHBondContact NH1-OD1 2.93Å; R264-D424 PolarHBondContact NH2-O 3.35Å; R264-D424 IonicContact NH2-OD1 2.83Å; R264-D424 PolarHBondContact NH2-OD1 3.17Å; R264-L428 HydrophobicContact CB-CD1 4.1Å; R264-L428 VanDerWaalsContact O-CD1 3.23Å; R264-L428 WeakPolarHBondContact O-CD1 3.5Å; R264-D431 WeakPolarHBondContact CD-OD2 3.5Å; R264-D431 IonicContact CZ-OD2 3.71Å; R264-D431 IonicContact NE-OD2 3.79Å; R264-D431 PolarHBondContact NE-OD2 2.91Å; R264-D431 IonicContact NH2-OD2 2.81Å
265	I	94.8	Very high	93.6	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	16%	0.162	C	C	.	.			trans	-94.6	64.1	-176.4	-55.8	-174.8	0	0	0	108.9	P261 Y262 M313 N380 D431 Y432 V435	P261-I265 HydrophobicContact CG-CG2 4.35Å; Y262-I265 HydrophobicContact CD2-CD1 3.95Å; Y262-I265 PolarHBondContact O-N 3.02Å; I265-M313 HydrophobicContact CG2-CE 3.69Å; I265-M313 HydrophobicContact CG2-SD 4.04Å; I265-N380 PolarHBondContact O-ND2 2.83Å; I265-D431 HydrophobicContact CD1-CB 4.13Å; I265-D431 HydrophobicContact CG1-CB 4.28Å; I265-Y432 HydrophobicContact CB-CE1 4.37Å; I265-Y432 HydrophobicContact CG2-CD1 3.92Å; I265-Y432 HydrophobicContact CG2-CE1 3.28Å; I265-Y432 HydrophobicContact CG2-CE2 4.4Å; I265-V435 HydrophobicContact CD1-CB 4.38Å; I265-V435 HydrophobicContact CD1-CG1 3.62Å; I265-V435 HydrophobicContact CD1-CG2 3.88Å
266	H	95.8	Very high	93.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.			trans	-117.8	28.3	-172.5	64	-107.8	0	0	0	114.3	L195 A201 V260 P263 R264 P268	L195-H266 PolarHBondContact O-CE1 2.86Å; L195-H266 VanDerWaalsContact O-CE1 3.23Å; A201-H266 PolarHBondContact N-O 2.85Å; V260-H266 HydrophobicContact CB-CB 4.46Å; V260-H266 HydrophobicContact CG1-CB 3.77Å; V260-H266 HydrophobicContact CG2-CB 3.8Å; P263-H266 PolarHBondContact O-ND1 2.75Å; R264-H266 VanDerWaalsContact C-N 3.33Å; R264-H266 PolarHBondContact O-N 3.33Å; H266-P268 WeakPolarHBondContact O-CD 3.46Å
267	F	96.8	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.			trans	-109.5	66	-177.2	-58.7	-86.6	0	0	0	113.8	F141 T191 L195 A201 M203 L269 W388 L428	F141-F267 HydrophobicContact CZ-CE1 4.34Å; T191-F267 HydrophobicContact CG2-CZ 3.99Å; L195-F267 HydrophobicContact CD1-CE2 3.72Å; L195-F267 HydrophobicContact CD1-CZ 3.81Å; A201-F267 HydrophobicContact CB-CD1 3.73Å; A201-F267 HydrophobicContact CB-CE1 3.96Å; A201-F267 WeakPolarHBondContact O-CA 3.47Å; M203-F267 HydrophobicContact CE-CD1 4.28Å; M203-F267 HydrophobicContact CG-CB 4.02Å; M203-F267 HydrophobicContact CG-CD1 4.19Å; M203-F267 HydrophobicContact SD-CD1 3.81Å; F267-L269 PolarHBondContact O-N 2.8Å; F267-W388 HydrophobicContact CB-CH2 4.42Å; F267-W388 HydrophobicContact CB-CZ2 3.88Å; F267-W388 AromaticContact CD1-CH2 3.81Å; F267-W388 HydrophobicContact CD1-CH2 3.81Å; F267-W388 HydrophobicContact CD1-CZ2 4.02Å; F267-W388 HydrophobicContact CD2-CH2 4.37Å; F267-W388 AromaticContact CD2-CZ2 3.86Å; F267-W388 HydrophobicContact CD2-CZ2 3.86Å; F267-W388 HydrophobicContact CE1-CH2 4.12Å; F267-W388 HydrophobicContact CE2-CZ2 4.4Å; F267-W388 AromaticContact CG-CH2 3.94Å; F267-W388 HydrophobicContact CG-CH2 3.94Å; F267-W388 AromaticContact CG-CZ2 3.64Å; F267-W388 HydrophobicContact CG-CZ2 3.64Å; F267-L428 HydrophobicContact CD2-CD2 4.29Å; F267-L428 HydrophobicContact CE2-CD2 3.7Å; F267-L428 HydrophobicContact CZ-CD2 4.43Å
268	P	95.9	Very high	93.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.			trans	-60.1	139	176.2	-24.3	34.1	0	0	0	113.5	C200 F202 M203 L259 H266 L378 S379	C200-P268 VanDerWaalsContact SG-CD 3.51Å; C200-P268 VanDerWaalsContact SG-CG 3.53Å; F202-P268 HydrophobicContact CD1-CB 4.32Å; M203-P268 PolarHBondContact N-O 3.5Å; M203-P268 VanDerWaalsContact N-O 3.14Å; L259-P268 HydrophobicContact CB-CG 4.09Å; L259-P268 HydrophobicContact CD1-CB 4.46Å; L259-P268 HydrophobicContact CD1-CG 4.06Å; H266-P268 WeakPolarHBondContact O-CD 3.46Å; P268-L378 HydrophobicContact CB-CB 4.45Å; P268-S379 WeakPolarHBondContact CA-O 3.26Å
269	L	95.6	Very high	93.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	151.3	167.4	-55.9	-173.5	0	0	0	110.8	F267 V303 C305 L378 S379 T381 I384	F267-L269 PolarHBondContact O-N 2.8Å; L269-V303 HydrophobicContact CD2-CB 3.89Å; L269-V303 HydrophobicContact CD2-CG1 4.26Å; L269-V303 HydrophobicContact CD2-CG2 3.89Å; L269-C305 WeakPolarHBondContact CD1-SG 3.24Å; L269-L378 CarbonylContact O-C 3.5Å; L269-L378 WeakPolarHBondContact O-CA 3.37Å; L269-S379 PolarHBondContact N-O 3.48Å; L269-S379 PolarHBondContact O-N 3.41Å; L269-T381 HydrophobicContact CD1-CG2 3.32Å; L269-T381 HydrophobicContact CG-CG2 3.8Å; L269-I384 HydrophobicContact CD2-CB 4.36Å; L269-I384 HydrophobicContact CD2-CD1 3.54Å; L269-I384 HydrophobicContact CD2-CG1 4.35Å
270	V	96.9	Very high	93	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.1	177.8	-174.2	0	0	0	0	111.3	F202 V204 I234 M302 L378	F202-V270 HydrophobicContact CB-CG2 4Å; V204-V270 HydrophobicContact CG1-CB 4.32Å; V204-V270 HydrophobicContact CG1-CG2 4.38Å; I234-V270 HydrophobicContact CB-CG1 4.24Å; I234-V270 HydrophobicContact CD1-CG1 3.73Å; I234-V270 HydrophobicContact CG1-CG1 3.78Å; I234-V270 HydrophobicContact CG2-CG1 3.49Å; I234-V270 VanDerWaalsContact CG2-CG1 3.49Å; I234-V270 HydrophobicContact CG2-CG2 4.4Å; V270-M302 WeakPolarHBondContact O-CB 3.28Å; V270-M302 WeakPolarHBondContact O-CG 3.41Å; V270-M302 PolarHBondContact O-N 3.49Å; V270-L378 HydrophobicContact CB-CD2 4.48Å; V270-L378 HydrophobicContact CG1-CD2 4.18Å; V270-L378 HydrophobicContact CG2-CD2 3.91Å
271	T	97.6	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.1	166	61.8	0	0	0	0	109.9	C295 S300 Q301 C376 M377	T271-C295 VanDerWaalsContact CG2-O 3.28Å; T271-C295 WeakPolarHBondContact CG2-O 2.99Å; T271-S300 WeakPolarHBondContact CG2-O 3.36Å; T271-Q301 HydrophobicContact CG2-CG 4.37Å; T271-C376 WeakPolarHBondContact O-CA 3.44Å; T271-M377 HydrophobicContact CG2-CE 4.06Å; T271-M377 PolarHBondContact N-O 3.01Å; T271-M377 PolarHBondContact O-N 3.24Å; T271-M377 WeakPolarHBondContact OG1-CB 3.21Å; T271-M377 PolarHBondContact OG1-O 2.64Å
272	Y	97.5	Very high	92	Very high	8 Å²	8	41.4 Å²	41.4	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.4	178	-168.7	-90	0	0	0	110.4	Q233 S237 I275 P360 A374 V375 C376	Q233-Y272 HydrophobicContact CB-CE1 4.47Å; Q233-Y272 HydrophobicContact CB-CE2 4.16Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.46Å; Y272-I275 HydrophobicContact CD1-CG1 3.87Å; Y272-I275 WeakPolarHBondContact O-CD1 2.97Å; Y272-I275 WeakPolarHBondContact O-CG1 3.26Å; Y272-P360 WeakPolarHBondContact OH-CG 3.38Å; Y272-A374 HydrophobicContact CE1-CB 4.09Å; Y272-A374 HydrophobicContact CE2-CB 4.42Å; Y272-A374 WeakPolarHBondContact OH-CB 3.19Å; Y272-V375 WeakPolarHBondContact CA-O 2.82Å; Y272-C376 HydrophobicContact CD2-CB 3.85Å; Y272-C376 HydrophobicContact CE2-CB 4.29Å
273	A	96.9	Very high	91.4	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	141.4	177.2	0	0	0	0	0	111.9	I291 A374 V375	A273-I291 HydrophobicContact CB-CB 4.22Å; A273-I291 WeakPolarHBondContact CB-O 3.27Å; A273-A374 CarbonylContact O-C 3.58Å; A273-A374 VanDerWaalsContact O-CA 3.24Å; A273-A374 WeakPolarHBondContact O-CA 3.35Å; A273-A374 WeakPolarHBondContact O-CB 3.28Å; A273-V375 HydrophobicContact CB-CG1 4.22Å; A273-V375 PolarHBondContact N-O 3.42Å; A273-V375 PolarHBondContact O-N 3.34Å
274	P	95.6	Very high	90.8	Very high	16 Å²	16	43.4 Å²	43.4	10%	0.104	21%	0.208	C	C	.	.			cis	-79.7	151.9	-5	34.5	-34.3	0	0	0	111.4	I276 L286 I291 V371	P274-I276 HydrophobicContact CB-CG2 4.28Å; P274-I276 HydrophobicContact CG-CG2 4.41Å; P274-L286 HydrophobicContact CB-CD2 3.75Å; P274-L286 HydrophobicContact CG-CD1 3.9Å; P274-L286 HydrophobicContact CG-CD2 3.92Å; P274-L286 HydrophobicContact CG-CG 4.45Å; P274-I291 HydrophobicContact CG-CG2 4.45Å; P274-V371 HydrophobicContact CG-CB 4.49Å; P274-V371 HydrophobicContact CG-CG1 3.99Å
275	I	94.7	Very high	90.1	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.077	23%	0.233	C	C	.	.			trans	-112.7	103.4	164.2	-60.9	170.5	0	0	0	104.7	I212 N216 L217 L230 Y272 M302 L368	I212-I275 HydrophobicContact CG2-CB 4.37Å; I212-I275 HydrophobicContact CG2-CD1 3.45Å; I212-I275 VanDerWaalsContact CG2-CD1 3.45Å; I212-I275 HydrophobicContact CG2-CG1 4.49Å; I212-I275 HydrophobicContact CG2-CG2 3.89Å; N216-I275 HydrophobicContact CB-CB 4.48Å; N216-I275 HydrophobicContact CB-CG2 4.12Å; N216-I275 WeakPolarHBondContact CB-O 3.38Å; L217-I275 HydrophobicContact CD1-CG2 4.32Å; L217-I275 HydrophobicContact CD2-CG2 3.73Å; L217-I275 HydrophobicContact CG-CG2 4.01Å; L230-I275 HydrophobicContact CD1-CD1 3.83Å; L230-I275 HydrophobicContact CD1-CG1 3.97Å; L230-I275 HydrophobicContact CD1-CG2 4.49Å; L230-I275 HydrophobicContact CD2-CD1 3.86Å; L230-I275 HydrophobicContact CD2-CG2 4.47Å; L230-I275 HydrophobicContact CG-CD1 4.45Å; Y272-I275 HydrophobicContact CD1-CG1 3.87Å; Y272-I275 WeakPolarHBondContact O-CD1 2.97Å; Y272-I275 WeakPolarHBondContact O-CG1 3.26Å; I275-M302 HydrophobicContact CD1-CE 4Å; I275-L368 HydrophobicContact CG2-CD2 4.19Å
276	I	92.7	Very high	89.8	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.031	24%	0.241	C	C	.	.			trans	-141.8	140.7	-170.6	-170.4	165.8	0	0	0	110.6	L217 P274 K280 A281 E284 A369 V371	L217-I276 VanDerWaalsContact CD2-C 3.49Å; P274-I276 HydrophobicContact CB-CG2 4.28Å; P274-I276 HydrophobicContact CG-CG2 4.41Å; I276-K280 HydrophobicContact CD1-CB 3.86Å; I276-K280 HydrophobicContact CG1-CB 3.62Å; I276-A281 HydrophobicContact CD1-CB 4.42Å; I276-A281 HydrophobicContact CG2-CB 4.44Å; I276-E284 HydrophobicContact CD1-CB 4.11Å; I276-E284 VanDerWaalsContact CD1-CD 3.49Å; I276-E284 HydrophobicContact CD1-CG 4.02Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.25Å; I276-A369 HydrophobicContact CG2-CB 3.93Å; I276-A369 PolarHBondContact O-N 3.16Å; I276-V371 HydrophobicContact CG2-CG1 4.12Å
277	S	90.6	Very high	89.8	Confident	9 Å²	9	51.6 Å²	51.6	6%	0.063	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-71.1	154	175.8	65.4	0	0	0	0	111.7	E279 K280 A281	S277-E279 PolarHBondContact O-N 3.25Å; S277-E279 VanDerWaalsContact O-N 3.15Å; S277-K280 PolarHBondContact O-N 3.43Å; S277-K280 WeakPolarHBondContact OG-CG 3.47Å; S277-K280 PolarHBondContact OG-N 2.8Å; S277-A281 PolarHBondContact O-N 3.22Å
278	A	84.4	Confident	89.8	Confident	53 Å²	53	52 Å²	52	44%	0.438	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.7	176.3	0	0	0	0	0	113.3
279	E	82.2	Confident	89.8	Confident	160 Å²	160	54.4 Å²	54.4	75%	0.748	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-40.6	179.4	-61.1	-175.3	171.4	0	0	112.6	S277	S277-E279 PolarHBondContact O-N 3.25Å; S277-E279 VanDerWaalsContact O-N 3.15Å
280	K	84.6	Confident	89.8	Confident	64 Å²	64	58.5 Å²	58.5	28%	0.278	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-77.3	-25.9	-177.5	-74.5	176.4	175.2	159.2	0	113.4	D218 I276 S277 Y282 H283	D218-K280 IonicContact OD1-NZ 2.72Å; D218-K280 PolarHBondContact OD1-NZ 3Å; D218-K280 WeakPolarHBondContact OD2-CE 3.14Å; D218-K280 IonicContact OD2-NZ 2.68Å; D218-K280 PolarHBondContact OD2-NZ 2.73Å; I276-K280 HydrophobicContact CD1-CB 3.86Å; I276-K280 HydrophobicContact CG1-CB 3.62Å; S277-K280 PolarHBondContact O-N 3.43Å; S277-K280 WeakPolarHBondContact OG-CG 3.47Å; S277-K280 PolarHBondContact OG-N 2.8Å; K280-Y282 PolarHBondContact O-N 3.21Å; K280-H283 PolarHBondContact O-N 2.96Å
281	A	82.8	Confident	89.8	Confident	26 Å²	26	58.6 Å²	58.6	22%	0.215	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-58	-25	-172.9	0	0	0	0	0	115.3	I276 S277 H283 A369	I276-A281 HydrophobicContact CD1-CB 4.42Å; I276-A281 HydrophobicContact CG2-CB 4.44Å; S277-A281 PolarHBondContact O-N 3.22Å; A281-H283 VanDerWaalsContact C-N 3.28Å; A281-H283 PolarHBondContact O-N 3.37Å; A281-A369 HydrophobicContact CB-CB 3.38Å
282	Y	78.7	Confident	89.8	Confident	207 Å²	207	58.6 Å²	58.6	81%	0.812	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-75.1	-14.8	177.6	-64.2	-77.1	0	0	0	114.2	K280	K280-Y282 PolarHBondContact O-N 3.21Å
283	H	79.6	Confident	89.7	Confident	168 Å²	168	59.7 Å²	59.7	78%	0.778	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-7.4	-172.6	-64.9	-57.5	0	0	0	114	K280 A281	K280-H283 PolarHBondContact O-N 2.96Å; A281-H283 VanDerWaalsContact C-N 3.28Å; A281-H283 PolarHBondContact O-N 3.37Å
284	E	80	Confident	89.7	Confident	107 Å²	107	61.9 Å²	61.9	50%	0.5	32%	0.32	S	S	.	.			trans	-112.3	137	-175.7	-65.9	-168.8	-169.3	0	0	111.9	I276 L286	I276-E284 HydrophobicContact CD1-CB 4.11Å; I276-E284 VanDerWaalsContact CD1-CD 3.49Å; I276-E284 HydrophobicContact CD1-CG 4.02Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.25Å; E284-L286 HydrophobicContact CB-CD2 4.46Å
285	Q	78.2	Confident	89.7	Confident	169 Å²	169	61.1 Å²	61.1	79%	0.79	32%	0.315	S	S	*	.			trans	-83.7	133.2	162.2	-70.1	-171.2	-1.7	0	0	108.1
286	L	89.1	Confident	89.8	Confident	34 Å²	34	60.9 Å²	60.9	18%	0.178	31%	0.313	C	S	.	.			trans	-115.4	69.5	-177.6	-62.2	170.9	0	0	0	108.1	P274 E284 I291 V371 R373	P274-L286 HydrophobicContact CB-CD2 3.75Å; P274-L286 HydrophobicContact CG-CD1 3.9Å; P274-L286 HydrophobicContact CG-CD2 3.92Å; P274-L286 HydrophobicContact CG-CG 4.45Å; E284-L286 HydrophobicContact CB-CD2 4.46Å; L286-I291 HydrophobicContact CB-CG2 4.39Å; L286-I291 HydrophobicContact CD2-CG2 4.47Å; L286-V371 HydrophobicContact CD1-CB 4.41Å; L286-V371 HydrophobicContact CD1-CG1 3.85Å; L286-R373 VanDerWaalsContact O-CD 3.26Å; L286-R373 WeakPolarHBondContact O-CD 3.41Å; L286-R373 PolarHBondContact O-NH1 3.25Å
287	S	95	Very high	89.9	Confident	40 Å²	40	65.2 Å²	65.2	28%	0.28	33%	0.333	S	S	.	.			trans	-72.8	157.7	174.6	71.6	0	0	0	0	111	A289 E290 I291	S287-A289 PolarHBondContact O-N 3.19Å; S287-E290 WeakPolarHBondContact CB-OE2 3.35Å; S287-E290 PolarHBondContact N-OE2 2.81Å; S287-E290 PolarHBondContact O-N 2.8Å; S287-E290 VanDerWaalsContact OG-CG 3.28Å; S287-E290 WeakPolarHBondContact OG-CG 3.38Å; S287-E290 PolarHBondContact OG-N 3.33Å; S287-E290 PolarHBondContact OG-OE2 3.14Å; S287-I291 WeakPolarHBondContact O-CG1 3.48Å; S287-I291 PolarHBondContact O-N 3.13Å; S287-I291 VanDerWaalsContact O-N 3.1Å
288	V	96.9	Very high	90.1	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.048	34%	0.339	C	S	.	.	H	α-helix	trans	-55.5	-42.4	175	179.3	0	0	0	0	110.4	E290 I291 T292 Y319 V323 D327 V328 A331	V288-E290 PolarHBondContact O-N 2.65Å; V288-I291 VanDerWaalsContact O-CG1 3.29Å; V288-I291 WeakPolarHBondContact O-CG1 3.06Å; V288-T292 VanDerWaalsContact O-CB 3.25Å; V288-T292 WeakPolarHBondContact O-CB 3.37Å; V288-T292 PolarHBondContact O-N 2.78Å; V288-T292 PolarHBondContact O-OG1 2.97Å; V288-Y319 HydrophobicContact CG1-CE1 3.88Å; V288-V323 HydrophobicContact CG1-CG1 4.38Å; V288-V323 HydrophobicContact CG2-CG1 4.01Å; V288-V323 HydrophobicContact CG2-CG2 4.26Å; V288-D327 HydrophobicContact CB-CB 4.08Å; V288-D327 HydrophobicContact CG1-CB 4.3Å; V288-D327 HydrophobicContact CG2-CB 4.09Å; V288-V328 HydrophobicContact CG1-CG2 3.98Å; V288-A331 HydrophobicContact CG1-CB 4.34Å
289	A	96.7	Very high	90.6	Very high	50 Å²	50	68.8 Å²	68.8	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-37.7	179.9	0	0	0	0	0	113.8	S287 S293 A331	S287-A289 PolarHBondContact O-N 3.19Å; A289-S293 WeakPolarHBondContact O-CB 3.47Å; A289-S293 PolarHBondContact O-N 3.2Å; A289-S293 PolarHBondContact O-OG 3.39Å; A289-A331 HydrophobicContact CB-CB 4.38Å
290	E	95.5	Very high	91.2	Very high	86 Å²	86	61.9 Å²	61.9	40%	0.402	32%	0.315	S	S	.	.	H	α-helix	trans	-71.5	-47.4	179.3	-73.6	158.2	151	0	0	111.7	S287 V288 T292 S293 S294	S287-E290 WeakPolarHBondContact CB-OE2 3.35Å; S287-E290 PolarHBondContact N-OE2 2.81Å; S287-E290 PolarHBondContact O-N 2.8Å; S287-E290 VanDerWaalsContact OG-CG 3.28Å; S287-E290 WeakPolarHBondContact OG-CG 3.38Å; S287-E290 PolarHBondContact OG-N 3.33Å; S287-E290 PolarHBondContact OG-OE2 3.14Å; V288-E290 PolarHBondContact O-N 2.65Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.18Å; E290-S293 PolarHBondContact O-N 3Å; E290-S294 WeakPolarHBondContact O-CB 3.43Å; E290-S294 PolarHBondContact O-N 3.26Å; E290-S294 PolarHBondContact O-OG 3.27Å
291	I	96.8	Very high	91.7	Very high	3 Å²	3	59 Å²	59	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-65.7	-40	178.8	67.1	178.2	0	0	0	110.7	A273 P274 L286 S287 V288 S294 C295 Y319 R373 V375	A273-I291 HydrophobicContact CB-CB 4.22Å; A273-I291 WeakPolarHBondContact CB-O 3.27Å; P274-I291 HydrophobicContact CG-CG2 4.45Å; L286-I291 HydrophobicContact CB-CG2 4.39Å; L286-I291 HydrophobicContact CD2-CG2 4.47Å; S287-I291 WeakPolarHBondContact O-CG1 3.48Å; S287-I291 PolarHBondContact O-N 3.13Å; S287-I291 VanDerWaalsContact O-N 3.1Å; V288-I291 VanDerWaalsContact O-CG1 3.29Å; V288-I291 WeakPolarHBondContact O-CG1 3.06Å; I291-S294 PolarHBondContact O-N 3.44Å; I291-C295 PolarHBondContact O-N 3.45Å; I291-Y319 HydrophobicContact CD1-CD1 4.37Å; I291-Y319 HydrophobicContact CD1-CE1 4.44Å; I291-R373 HydrophobicContact CD1-CG 4.19Å; I291-V375 HydrophobicContact CB-CG1 3.92Å; I291-V375 HydrophobicContact CD1-CB 4.28Å; I291-V375 HydrophobicContact CD1-CG1 4Å; I291-V375 HydrophobicContact CG1-CG1 3.75Å
292	T	97.5	Very high	92.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-44.7	174.6	-59.4	0	0	0	0	111.1	V288 E290 S294 C295 F296 M317 Y319 A331 I335	V288-T292 VanDerWaalsContact O-CB 3.25Å; V288-T292 WeakPolarHBondContact O-CB 3.37Å; V288-T292 PolarHBondContact O-N 2.78Å; V288-T292 PolarHBondContact O-OG1 2.97Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.18Å; T292-S294 VanDerWaalsContact C-N 3.31Å; T292-S294 PolarHBondContact O-N 2.92Å; T292-C295 PolarHBondContact O-N 3.34Å; T292-F296 WeakPolarHBondContact O-CD2 3.26Å; T292-M317 HydrophobicContact CG2-CE 3.97Å; T292-Y319 PolarHBondContact OG1-OH 2.73Å; T292-A331 HydrophobicContact CG2-CB 3.97Å; T292-I335 HydrophobicContact CG2-CG1 3.94Å
293	S	96.1	Very high	93.1	Very high	31 Å²	31	48.1 Å²	48.1	22%	0.217	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-38.6	177	-69.3	0	0	0	0	112.5	A289 E290 C295 F296 K338	A289-S293 WeakPolarHBondContact O-CB 3.47Å; A289-S293 PolarHBondContact O-N 3.2Å; A289-S293 PolarHBondContact O-OG 3.39Å; E290-S293 PolarHBondContact O-N 3Å; S293-C295 VanDerWaalsContact C-N 3.27Å; S293-C295 PolarHBondContact O-N 3.3Å; S293-F296 PolarHBondContact O-N 3Å; S293-F296 VanDerWaalsContact O-N 3.12Å; S293-K338 PolarHBondContact OG-NZ 3.09Å
294	S	95.8	Very high	93.8	Very high	48 Å²	48	42.9 Å²	42.9	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-62.7	-32.5	-179.1	-59.7	0	0	0	0	112.7	E290 I291 T292 F296 E297 S300	E290-S294 WeakPolarHBondContact O-CB 3.43Å; E290-S294 PolarHBondContact O-N 3.26Å; E290-S294 PolarHBondContact O-OG 3.27Å; I291-S294 PolarHBondContact O-N 3.44Å; T292-S294 VanDerWaalsContact C-N 3.31Å; T292-S294 PolarHBondContact O-N 2.92Å; S294-F296 PolarHBondContact O-N 3.33Å; S294-E297 PolarHBondContact O-N 3.46Å; S294-S300 WeakPolarHBondContact O-CB 3.29Å; S294-S300 PolarHBondContact O-OG 3.35Å
295	C	97	Very high	94.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-27.4	175.3	-76.9	0	0	0	0	113.8	T271 I291 T292 S293 Q301 M317 M377	T271-C295 VanDerWaalsContact CG2-O 3.28Å; T271-C295 WeakPolarHBondContact CG2-O 2.99Å; I291-C295 PolarHBondContact O-N 3.45Å; T292-C295 PolarHBondContact O-N 3.34Å; S293-C295 VanDerWaalsContact C-N 3.27Å; S293-C295 PolarHBondContact O-N 3.3Å; C295-Q301 PolarHBondContact O-NE2 3.26Å; C295-M317 HydrophobicContact CB-CE 4.49Å; C295-M377 HydrophobicContact CB-CB 4.03Å; C295-M377 HydrophobicContact CB-CE 4.06Å; C295-M377 HydrophobicContact CB-SD 4.09Å; C295-M377 VanDerWaalsContact O-CE 3.24Å; C295-M377 WeakPolarHBondContact O-CE 3.19Å
296	F	96	Very high	95	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.039	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.6	-179.4	-71.6	-89.3	0	0	0	113.4	T292 S293 S294 Y312 M317 I335 I341 F343 F351 M377	T292-F296 WeakPolarHBondContact O-CD2 3.26Å; S293-F296 PolarHBondContact O-N 3Å; S293-F296 VanDerWaalsContact O-N 3.12Å; S294-F296 PolarHBondContact O-N 3.33Å; F296-Y312 AromaticContact CD1-CE2 3.86Å; F296-Y312 HydrophobicContact CD1-CE2 3.86Å; F296-Y312 AromaticContact CD1-CZ 3.87Å; F296-Y312 HydrophobicContact CE1-CD2 4.41Å; F296-Y312 HydrophobicContact CE1-CE1 4.46Å; F296-Y312 HydrophobicContact CE1-CE2 4.12Å; F296-M317 HydrophobicContact CE2-CE 4.37Å; F296-M317 HydrophobicContact CE2-SD 4.26Å; F296-M317 HydrophobicContact CZ-SD 4.42Å; F296-I335 HydrophobicContact CD1-CG2 4.25Å; F296-I335 HydrophobicContact CD2-CD1 3.78Å; F296-I335 HydrophobicContact CD2-CG1 4.13Å; F296-I335 HydrophobicContact CD2-CG2 3.97Å; F296-I335 HydrophobicContact CE1-CG2 4Å; F296-I335 HydrophobicContact CE2-CD1 4.29Å; F296-I335 HydrophobicContact CE2-CG1 4.12Å; F296-I335 HydrophobicContact CE2-CG2 3.73Å; F296-I335 HydrophobicContact CG-CD1 4.35Å; F296-I335 HydrophobicContact CG-CG2 4.23Å; F296-I335 HydrophobicContact CZ-CG2 3.75Å; F296-I341 HydrophobicContact CB-CD1 3.56Å; F296-I341 HydrophobicContact CB-CG1 4.36Å; F296-I341 HydrophobicContact CD1-CD1 3.86Å; F296-I341 HydrophobicContact CD1-CG1 4.42Å; F296-I341 HydrophobicContact CD1-CG2 3.74Å; F296-I341 HydrophobicContact CE1-CG2 4.02Å; F296-I341 HydrophobicContact CG-CD1 3.74Å; F296-F343 HydrophobicContact CE1-CZ 4.17Å; F296-F351 HydrophobicContact CE1-CZ 4.43Å; F296-F351 HydrophobicContact CE2-CE1 4.31Å; F296-F351 AromaticContact CZ-CE1 3.69Å; F296-F351 HydrophobicContact CZ-CE1 3.69Å; F296-F351 AromaticContact CZ-CZ 3.76Å; F296-F351 HydrophobicContact CZ-CZ 3.76Å; F296-M377 HydrophobicContact CD1-CE 4.28Å; F296-M377 HydrophobicContact CD1-SD 4.33Å; F296-M377 HydrophobicContact CD2-SD 4.15Å; F296-M377 HydrophobicContact CE1-CE 4.21Å; F296-M377 HydrophobicContact CE1-SD 3.78Å; F296-M377 HydrophobicContact CE2-SD 3.55Å; F296-M377 VanDerWaalsContact CE2-SD 3.55Å; F296-M377 HydrophobicContact CG-CE 4.48Å; F296-M377 HydrophobicContact CZ-CE 4.31Å; F296-M377 HydrophobicContact CZ-SD 3.33Å; F296-M377 WeakPolarHBondContact CZ-SD 3.4Å
297	E	94.9	Very high	95.2	Very high	97 Å²	97	30.2 Å²	30.2	45%	0.453	17%	0.173	S	C	.	.	S	Bend	trans	-73.1	134.8	174.8	-65.8	-59.9	146.2	0	0	110	S294 N299 S300	S294-E297 PolarHBondContact O-N 3.46Å; E297-N299 PolarHBondContact O-N 2.99Å; E297-N299 VanDerWaalsContact O-N 3.13Å; E297-S300 WeakPolarHBondContact O-CB 3.3Å; E297-S300 PolarHBondContact O-N 2.86Å
298	P	94.5	Very high	95	Very high	29 Å²	29	35.3 Å²	35.3	19%	0.188	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-53.7	-36.6	179.5	-29.5	35.7	0	0	0	113.4	S300 Q301 P307 R308	P298-S300 PolarHBondContact O-N 3.02Å; P298-Q301 WeakPolarHBondContact O-CB 3.33Å; P298-Q301 WeakPolarHBondContact O-CG 3.31Å; P298-Q301 PolarHBondContact O-N 3.3Å; P298-P307 HydrophobicContact CB-CG 4.29Å; P298-P307 HydrophobicContact CG-CG 4.21Å; P298-R308 HydrophobicContact CG-CG 4.26Å
299	N	94.2	Very high	94.8	Very high	109 Å²	109	41.1 Å²	41.1	58%	0.583	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-74.4	-6.2	-179.7	-64.7	-33.1	0	0	0	113.5	R215 E297	R215-N299 PolarHBondContact NH2-O 3.01Å; E297-N299 PolarHBondContact O-N 2.99Å; E297-N299 VanDerWaalsContact O-N 3.13Å
300	S	95.3	Very high	94.7	Very high	14 Å²	14	39 Å²	39	10%	0.098	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-94.5	-9.9	175.7	-59.5	0	0	0	0	112.6	T271 S294 E297 P298	T271-S300 WeakPolarHBondContact CG2-O 3.36Å; S294-S300 WeakPolarHBondContact O-CB 3.29Å; S294-S300 PolarHBondContact O-OG 3.35Å; E297-S300 WeakPolarHBondContact O-CB 3.3Å; E297-S300 PolarHBondContact O-N 2.86Å; P298-S300 PolarHBondContact O-N 3.02Å
301	Q	95.7	Very high	94.6	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.023	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-66	132.1	176.6	-58.2	-56.8	-39.4	0	0	109.8	T271 C295 P298 V303 P307	T271-Q301 HydrophobicContact CG2-CG 4.37Å; C295-Q301 PolarHBondContact O-NE2 3.26Å; P298-Q301 WeakPolarHBondContact O-CB 3.33Å; P298-Q301 WeakPolarHBondContact O-CG 3.31Å; P298-Q301 PolarHBondContact O-N 3.3Å; Q301-V303 PolarHBondContact O-N 3.14Å; Q301-P307 HydrophobicContact CG-CG 4.01Å
302	M	96.2	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-86.8	10.1	176.8	-59.6	-149.7	-168.3	0	0	113.2	V204 D205 A208 I209 I212 L230 I234 V270 I275	V204-M302 CarbonylContact C-O 2.99Å; V204-M302 WeakPolarHBondContact CA-O 3.39Å; V204-M302 HydrophobicContact CB-CB 4.44Å; V204-M302 HydrophobicContact CG1-CB 4.01Å; D205-M302 PolarHBondContact N-O 3.04Å; A208-M302 VanDerWaalsContact CB-C 3.45Å; A208-M302 WeakPolarHBondContact CB-O 3.48Å; I209-M302 HydrophobicContact CD1-SD 4.25Å; I209-M302 HydrophobicContact CG1-CB 4.11Å; I209-M302 HydrophobicContact CG1-CG 4.36Å; I209-M302 HydrophobicContact CG1-SD 3.96Å; I212-M302 HydrophobicContact CD1-CG 4.03Å; L230-M302 HydrophobicContact CD1-CE 4.02Å; L230-M302 HydrophobicContact CD2-CE 4.02Å; L230-M302 HydrophobicContact CD2-SD 4.46Å; L230-M302 HydrophobicContact CG-CE 3.84Å; L230-M302 HydrophobicContact CG-SD 4.36Å; I234-M302 HydrophobicContact CD1-CE 3.5Å; I234-M302 VanDerWaalsContact CD1-CE 3.5Å; I234-M302 HydrophobicContact CD1-SD 3.16Å; I234-M302 WeakPolarHBondContact CD1-SD 3.43Å; I234-M302 HydrophobicContact CG1-CE 3.94Å; I234-M302 HydrophobicContact CG1-SD 4.23Å; V270-M302 WeakPolarHBondContact O-CB 3.28Å; V270-M302 WeakPolarHBondContact O-CG 3.41Å; V270-M302 PolarHBondContact O-N 3.49Å; I275-M302 HydrophobicContact CD1-CE 4Å
303	V	94.7	Very high	94.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	18%	0.183	C	C	.	.	S	Bend	trans	-127.9	139.9	170.1	177.1	0	0	0	0	108.1	M203 L269 Q301 C305 I384	M203-V303 HydrophobicContact CB-CG2 3.86Å; M203-V303 VanDerWaalsContact O-CG2 3.29Å; M203-V303 WeakPolarHBondContact O-CG2 2.96Å; L269-V303 HydrophobicContact CD2-CB 3.89Å; L269-V303 HydrophobicContact CD2-CG1 4.26Å; L269-V303 HydrophobicContact CD2-CG2 3.89Å; Q301-V303 PolarHBondContact O-N 3.14Å; V303-C305 VanDerWaalsContact C-N 3.3Å; V303-C305 PolarHBondContact O-N 2.97Å; V303-I384 HydrophobicContact CG1-CD1 4.24Å
304	K	93.3	Very high	94.2	Very high	58 Å²	58	35.3 Å²	35.3	25%	0.252	18%	0.176	S	C	.	.	S	Bend	trans	-68.9	84.2	175	-73	-66.1	-171.4	174.4	0	111.7	P175 D205 E207 A208 D211 R390	P175-K304 HydrophobicContact CG-CB 3.77Å; P175-K304 HydrophobicContact CG-CG 4.03Å; D205-K304 WeakPolarHBondContact OD2-CB 3.44Å; D205-K304 WeakPolarHBondContact OD2-CG 3.31Å; E207-K304 HydrophobicContact CB-CG 4.44Å; E207-K304 HydrophobicContact CG-CG 4.49Å; E207-K304 VanDerWaalsContact OE1-CE 3.31Å; E207-K304 WeakPolarHBondContact OE1-CE 3.32Å; E207-K304 IonicContact OE1-NZ 3.38Å; A208-K304 HydrophobicContact CB-CD 4.34Å; A208-K304 HydrophobicContact CB-CG 4.21Å; D211-K304 IonicContact OD2-NZ 3.81Å; D211-K304 PolarHBondContact OD2-NZ 2.75Å; K304-R390 VanDerWaalsContact O-CZ 3.23Å; K304-R390 PolarHBondContact O-NH1 2.67Å; K304-R390 PolarHBondContact O-NH2 3.13Å
305	C	91.4	Very high	94.2	Very high	13 Å²	13	33.1 Å²	33.1	9%	0.088	16%	0.161	C	C	.	.			trans	-151.1	149	170.7	54.1	0	0	0	0	108.2	L269 V303 P307 A383 E386	L269-C305 WeakPolarHBondContact CD1-SG 3.24Å; V303-C305 VanDerWaalsContact C-N 3.3Å; V303-C305 PolarHBondContact O-N 2.97Å; C305-P307 WeakPolarHBondContact O-CD 3.49Å; C305-A383 WeakPolarHBondContact CB-O 3.27Å; C305-E386 WeakPolarHBondContact CA-OE2 3.45Å
306	D	92.5	Very high	94.1	Very high	24 Å²	24	33.2 Å²	33.2	13%	0.128	16%	0.161	C	C	.	.			trans	-92.1	110.5	176.2	-165.6	-23.3	0	0	0	109.8	R308 H309 A383 E386	D306-R308 VanDerWaalsContact CG-NE 3.34Å; D306-R308 PolarHBondContact O-N 3.15Å; D306-R308 WeakPolarHBondContact OD1-CB 3.26Å; D306-R308 VanDerWaalsContact OD1-CG 3.28Å; D306-R308 WeakPolarHBondContact OD1-CG 3.22Å; D306-R308 IonicContact OD1-CZ 3.17Å; D306-R308 PolarHBondContact OD1-N 3.47Å; D306-R308 IonicContact OD1-NE 3.92Å; D306-R308 PolarHBondContact OD1-NE 3.29Å; D306-R308 IonicContact OD1-NH2 3.19Å; D306-R308 IonicContact OD2-CZ 3.35Å; D306-R308 IonicContact OD2-NE 4Å; D306-R308 PolarHBondContact OD2-NE 3.19Å; D306-R308 IonicContact OD2-NH2 3.59Å; D306-R308 PolarHBondContact OD2-NH2 2.95Å; D306-H309 PolarHBondContact O-N 2.84Å; D306-H309 IonicContact OD2-CE1 3.83Å; D306-H309 IonicContact OD2-NE2 2.99Å; D306-A383 WeakPolarHBondContact O-CB 3.11Å; D306-E386 PolarHBondContact N-OE2 2.98Å
307	P	92.6	Very high	94.1	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.045	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-62.4	-14.4	-179.9	26.5	-34.2	0	0	0	112.9	P298 Q301 C305 H309 G310 Y312	P298-P307 HydrophobicContact CB-CG 4.29Å; P298-P307 HydrophobicContact CG-CG 4.21Å; Q301-P307 HydrophobicContact CG-CG 4.01Å; C305-P307 WeakPolarHBondContact O-CD 3.49Å; P307-H309 VanDerWaalsContact C-N 3.3Å; P307-G310 PolarHBondContact O-N 2.84Å; P307-Y312 HydrophobicContact CB-CE2 4.31Å; P307-Y312 WeakPolarHBondContact CB-OH 3.44Å
308	R	92.1	Very high	94.2	Very high	147 Å²	147	28.5 Å²	28.5	56%	0.555	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-76.2	-17.4	176.1	-57.8	172.8	-68.2	-177.3	0.6	113.2	P298 D306 G310	P298-R308 HydrophobicContact CG-CG 4.26Å; D306-R308 VanDerWaalsContact CG-NE 3.34Å; D306-R308 PolarHBondContact O-N 3.15Å; D306-R308 WeakPolarHBondContact OD1-CB 3.26Å; D306-R308 VanDerWaalsContact OD1-CG 3.28Å; D306-R308 WeakPolarHBondContact OD1-CG 3.22Å; D306-R308 IonicContact OD1-CZ 3.17Å; D306-R308 PolarHBondContact OD1-N 3.47Å; D306-R308 IonicContact OD1-NE 3.92Å; D306-R308 PolarHBondContact OD1-NE 3.29Å; D306-R308 IonicContact OD1-NH2 3.19Å; D306-R308 IonicContact OD2-CZ 3.35Å; D306-R308 IonicContact OD2-NE 4Å; D306-R308 PolarHBondContact OD2-NE 3.19Å; D306-R308 IonicContact OD2-NH2 3.59Å; D306-R308 PolarHBondContact OD2-NH2 2.95Å; R308-G310 VanDerWaalsContact C-N 3.27Å
309	H	92.6	Very high	94.3	Very high	130 Å²	130	27.2 Å²	27.2	60%	0.602	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-89.9	5.8	175.6	-60	164.3	0	0	0	112.5	D306 P307 E386	D306-H309 PolarHBondContact O-N 2.84Å; D306-H309 IonicContact OD2-CE1 3.83Å; D306-H309 IonicContact OD2-NE2 2.99Å; P307-H309 VanDerWaalsContact C-N 3.3Å; H309-E386 WeakPolarHBondContact CB-OE1 3.4Å; H309-E386 IonicContact CE1-OE1 2.8Å; H309-E386 IonicContact CG-OE1 2.8Å; H309-E386 IonicContact ND1-OE1 3.92Å; H309-E386 PolarHBondContact ND1-OE1 3.05Å
310	G	93.2	Very high	94.4	Very high	7 Å²	7	22.1 Å²	22.1	7%	0.072	10%	0.104	C	C	.	.	S	Bend	trans	-140.7	-174.2	175.1	0	0	0	0	0	112.1	P307 R308 T382	P307-G310 PolarHBondContact O-N 2.84Å; R308-G310 VanDerWaalsContact C-N 3.27Å; G310-T382 WeakPolarHBondContact CA-OG1 3.45Å
311	K	94.1	Very high	94.3	Very high	27 Å²	27	21.6 Å²	21.6	12%	0.117	10%	0.1	C	C	.	.			trans	-118.2	144.9	176	-62.3	179.2	-175.6	165.5	0	109.1	Q342 V344 T381 T382 G436 D438	K311-Q342 WeakPolarHBondContact CA-O 3.26Å; K311-Q342 HydrophobicContact CG-CB 3.99Å; K311-V344 HydrophobicContact CB-CG1 3.89Å; K311-V344 HydrophobicContact CD-CG1 4.5Å; K311-T381 VanDerWaalsContact O-CA 3.24Å; K311-T381 WeakPolarHBondContact O-CA 3.32Å; K311-T381 WeakPolarHBondContact O-CB 3.04Å; K311-T381 PolarHBondContact O-OG1 3.02Å; K311-T382 PolarHBondContact N-OG1 3.42Å; K311-T382 PolarHBondContact O-N 2.74Å; K311-G436 WeakPolarHBondContact CD-O 3.07Å; K311-G436 WeakPolarHBondContact CE-O 3.44Å; K311-G436 PolarHBondContact NZ-O 2.7Å; K311-D438 IonicContact NZ-OD1 3.2Å; K311-D438 PolarHBondContact NZ-OD1 3.05Å; K311-D438 IonicContact NZ-OD2 2.82Å; K311-D438 PolarHBondContact NZ-OD2 3.01Å
312	Y	94.7	Very high	94.2	Very high	4 Å²	4	26 Å²	26	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.9	171.5	-70.8	-77	0	0	0	109.7	F296 P307 I341 Q342 F343 V344 M377	F296-Y312 AromaticContact CD1-CE2 3.86Å; F296-Y312 HydrophobicContact CD1-CE2 3.86Å; F296-Y312 AromaticContact CD1-CZ 3.87Å; F296-Y312 HydrophobicContact CE1-CD2 4.41Å; F296-Y312 HydrophobicContact CE1-CE1 4.46Å; F296-Y312 HydrophobicContact CE1-CE2 4.12Å; P307-Y312 HydrophobicContact CB-CE2 4.31Å; P307-Y312 WeakPolarHBondContact CB-OH 3.44Å; Y312-I341 HydrophobicContact CD2-CG2 3.78Å; Y312-I341 HydrophobicContact CE2-CG2 3.77Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.5Å; Y312-Q342 PolarHBondContact N-O 3.42Å; Y312-F343 VanDerWaalsContact CB-CD1 3.49Å; Y312-F343 HydrophobicContact CD2-CE1 4.42Å; Y312-F343 HydrophobicContact CD2-CZ 4.41Å; Y312-F343 HydrophobicContact CG-CE1 4.16Å; Y312-F343 VanDerWaalsContact O-CA 3.3Å; Y312-F343 WeakPolarHBondContact O-CA 3.27Å; Y312-V344 PolarHBondContact O-N 3.4Å; Y312-M377 HydrophobicContact CE1-CE 4.46Å
313	M	94.2	Very high	94.2	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-40.8	173.9	-66.7	174	-82.5	0	0	111.2	P261 I265 V344 W346 C347 N380 T382 Y432 V435	P261-M313 HydrophobicContact CG-SD 4.02Å; I265-M313 HydrophobicContact CG2-CE 3.69Å; I265-M313 HydrophobicContact CG2-SD 4.04Å; M313-V344 HydrophobicContact CB-CG2 4.45Å; M313-V344 HydrophobicContact CG-CG1 3.76Å; M313-V344 HydrophobicContact CG-CG2 4.37Å; M313-W346 HydrophobicContact CB-CH2 4.1Å; M313-W346 HydrophobicContact CB-CZ2 4.37Å; M313-W346 HydrophobicContact CG-CH2 4.07Å; M313-W346 HydrophobicContact CG-CZ2 3.87Å; M313-W346 HydrophobicContact SD-CH2 4.44Å; M313-W346 HydrophobicContact SD-CZ2 4.25Å; M313-C347 PolarHBondContact O-SG 3.41Å; M313-N380 HydrophobicContact CE-CB 4.31Å; M313-N380 WeakPolarHBondContact CE-OD1 3.19Å; M313-N380 PolarHBondContact N-O 3.14Å; M313-T382 HydrophobicContact CE-CG2 4.1Å; M313-T382 HydrophobicContact SD-CG2 4.38Å; M313-Y432 HydrophobicContact CE-CD1 4.01Å; M313-Y432 HydrophobicContact CE-CE1 3.8Å; M313-V435 HydrophobicContact CE-CG2 4.47Å; M313-V435 HydrophobicContact SD-CB 4.25Å; M313-V435 HydrophobicContact SD-CG2 3.6Å
314	A	94	Very high	94.2	Very high	8 Å²	8	29.7 Å²	29.7	7%	0.066	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	144.2	178.9	0	0	0	0	0	111.1	N258 L259 G350 S379 N380	N258-A314 WeakPolarHBondContact O-CB 3.5Å; L259-A314 HydrophobicContact CD2-CB 4.16Å; A314-G350 CarbonylContact C-O 3.56Å; A314-S379 CarbonylContact O-C 3.58Å; A314-S379 VanDerWaalsContact O-CA 3.25Å; A314-S379 WeakPolarHBondContact O-CA 3.32Å; A314-N380 PolarHBondContact N-O 3.2Å; A314-N380 PolarHBondContact O-N 3.49Å
315	C	95.1	Very high	94.2	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	119.6	177	-65.3	0	0	0	0	109.8	G350 F351 K352 M377 L378	C315-G350 PolarHBondContact N-O 3.18Å; C315-F351 HydrophobicContact CB-CD1 3.92Å; C315-F351 HydrophobicContact CB-CE1 3.92Å; C315-F351 HydrophobicContact CB-CG 4.44Å; C315-F351 HydrophobicContact CB-CZ 4.43Å; C315-F351 CarbonylContact O-C 3.49Å; C315-F351 VanDerWaalsContact O-CA 3.25Å; C315-F351 WeakPolarHBondContact O-CA 3.42Å; C315-K352 PolarHBondContact O-N 2.83Å; C315-M377 HydrophobicContact CB-SD 4.46Å; C315-L378 CarbonylContact C-O 3.58Å; C315-L378 WeakPolarHBondContact CA-O 3.27Å
316	C	94.9	Very high	94.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115	170.3	-169.5	0	0	0	0	109.3	L259 K352 M377 L378	L259-C316 HydrophobicContact CD1-CB 4.19Å; L259-C316 HydrophobicContact CD2-CB 3.75Å; L259-C316 HydrophobicContact CG-CB 4.18Å; C316-K352 CarbonylContact C-O 3.5Å; C316-K352 WeakPolarHBondContact CA-O 3.02Å; C316-K352 HydrophobicContact CB-CB 4.39Å; C316-M377 WeakPolarHBondContact O-CA 3.39Å; C316-L378 HydrophobicContact CB-CB 4.29Å; C316-L378 PolarHBondContact N-O 3.3Å; C316-L378 PolarHBondContact O-N 2.76Å
317	M	95.9	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	110.3	-179.9	-51.6	-64.7	-58.4	0	0	109.6	T292 C295 F296 Y319 I332 F351 K352 V353 G354 V375 M377	T292-M317 HydrophobicContact CG2-CE 3.97Å; C295-M317 HydrophobicContact CB-CE 4.49Å; F296-M317 HydrophobicContact CE2-CE 4.37Å; F296-M317 HydrophobicContact CE2-SD 4.26Å; F296-M317 HydrophobicContact CZ-SD 4.42Å; M317-Y319 HydrophobicContact CB-CD2 4.21Å; M317-Y319 HydrophobicContact CB-CE2 3.49Å; M317-Y319 VanDerWaalsContact CB-CE2 3.49Å; M317-Y319 HydrophobicContact CG-CE2 4.46Å; M317-I332 HydrophobicContact CG-CD1 4.42Å; M317-F351 HydrophobicContact CG-CD1 3.98Å; M317-F351 HydrophobicContact CG-CE1 4.34Å; M317-F351 HydrophobicContact SD-CD1 4.44Å; M317-F351 HydrophobicContact SD-CE1 4.26Å; M317-K352 PolarHBondContact N-O 3.32Å; M317-V353 WeakPolarHBondContact O-CA 3.39Å; M317-G354 PolarHBondContact O-N 2.56Å; M317-V375 HydrophobicContact CB-CG2 4.37Å; M317-V375 HydrophobicContact CE-CG2 3.7Å; M317-M377 HydrophobicContact CE-CB 3.99Å; M317-M377 HydrophobicContact CE-CG 4.39Å; M317-M377 HydrophobicContact CE-SD 4.32Å; M317-M377 HydrophobicContact SD-CB 3.7Å; M317-M377 HydrophobicContact SD-CG 3.54Å; M317-M377 VanDerWaalsContact SD-CG 3.54Å; M317-M377 HydrophobicContact SD-SD 3.6Å; M317-M377 VanDerWaalsContact SD-SD 3.6Å
318	L	96.2	Very high	94.8	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	95	-177.9	-56.5	178.5	0	0	0	110	I238 V250 F255 V375 C376 L378	I238-L318 HydrophobicContact CB-CD1 4.34Å; I238-L318 HydrophobicContact CG1-CD1 3.9Å; V250-L318 HydrophobicContact CG2-CD2 4.11Å; F255-L318 HydrophobicContact CE1-CD1 4.1Å; F255-L318 HydrophobicContact CE1-CD2 4.37Å; F255-L318 HydrophobicContact CZ-CD1 4.11Å; L318-V375 WeakPolarHBondContact O-CA 3.37Å; L318-C376 HydrophobicContact CB-CB 4.26Å; L318-C376 WeakPolarHBondContact CB-O 3.34Å; L318-C376 PolarHBondContact N-O 3.28Å; L318-C376 PolarHBondContact O-N 2.89Å; L318-L378 HydrophobicContact CD1-CD1 4.05Å; L318-L378 HydrophobicContact CD1-CG 4.44Å
319	Y	97.4	Very high	95	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	144.4	179.3	-65	-89.6	0	0	0	111.4	V288 I291 T292 M317 V323 V328 V353 G354 I355 N356 A374 V375	V288-Y319 HydrophobicContact CG1-CE1 3.88Å; I291-Y319 HydrophobicContact CD1-CD1 4.37Å; I291-Y319 HydrophobicContact CD1-CE1 4.44Å; T292-Y319 PolarHBondContact OG1-OH 2.73Å; M317-Y319 HydrophobicContact CB-CD2 4.21Å; M317-Y319 HydrophobicContact CB-CE2 3.49Å; M317-Y319 VanDerWaalsContact CB-CE2 3.49Å; M317-Y319 HydrophobicContact CG-CE2 4.46Å; Y319-V323 HydrophobicContact CD1-CG1 3.87Å; Y319-V323 HydrophobicContact CD1-CG2 4.19Å; Y319-V323 HydrophobicContact CG-CG1 3.88Å; Y319-V328 HydrophobicContact CD1-CG2 4.38Å; Y319-V328 HydrophobicContact CD2-CG1 4.18Å; Y319-V328 HydrophobicContact CD2-CG2 3.92Å; Y319-V328 HydrophobicContact CE1-CG2 4.24Å; Y319-V328 HydrophobicContact CE2-CB 4.22Å; Y319-V328 HydrophobicContact CE2-CG1 3.4Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.4Å; Y319-V328 HydrophobicContact CE2-CG2 3.75Å; Y319-V328 HydrophobicContact CG-CG2 4.24Å; Y319-V353 HydrophobicContact CD2-CG1 4.13Å; Y319-V353 HydrophobicContact CE2-CG1 4.21Å; Y319-G354 PolarHBondContact N-O 3.5Å; Y319-I355 HydrophobicContact CD2-CG1 4.37Å; Y319-N356 PolarHBondContact O-N 3.13Å; Y319-A374 CarbonylContact C-O 3.48Å; Y319-A374 WeakPolarHBondContact CA-O 3.36Å; Y319-V375 HydrophobicContact CD1-CB 3.61Å; Y319-V375 HydrophobicContact CD1-CG2 3.76Å; Y319-V375 HydrophobicContact CD2-CG2 4.27Å; Y319-V375 HydrophobicContact CE1-CB 3.67Å; Y319-V375 HydrophobicContact CE1-CG1 4.26Å; Y319-V375 HydrophobicContact CE1-CG2 3.61Å; Y319-V375 HydrophobicContact CE2-CG2 4.14Å; Y319-V375 HydrophobicContact CG-CB 4.28Å; Y319-V375 HydrophobicContact CG-CG2 4.08Å
320	R	95.7	Very high	95.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.5	174.9	-62.4	-65.4	-55.9	-111.4	-7.6	109.4	E27 S236 N356 Q358 P360 R373 A374	E27-R320 IonicContact OE1-NH2 3.86Å; S236-R320 PolarHBondContact O-NH1 3.37Å; S236-R320 PolarHBondContact OG-NH1 3.2Å; S236-R320 VanDerWaalsContact OG-NH1 3.17Å; R320-N356 CarbonylContact C-O 3.45Å; R320-N356 WeakPolarHBondContact CA-O 3.3Å; R320-Q358 PolarHBondContact NE-O 3.41Å; R320-Q358 PolarHBondContact NH2-O 3.36Å; R320-Q358 VanDerWaalsContact NH2-O 3.14Å; R320-P360 HydrophobicContact CB-CG 3.88Å; R320-P360 HydrophobicContact CG-CG 4.42Å; R320-R373 WeakPolarHBondContact O-CA 3.41Å; R320-A374 PolarHBondContact N-O 2.84Å; R320-A374 PolarHBondContact O-N 2.79Å; R320-A374 VanDerWaalsContact O-N 3.07Å
321	G	94.9	Very high	95.4	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.6	-146.6	170.5	0	0	0	0	0	114.9	V323 N356 Y357 Q358 Q372	G321-V323 VanDerWaalsContact C-N 3.33Å; G321-V323 PolarHBondContact O-N 3.36Å; G321-N356 PolarHBondContact N-O 2.87Å; G321-Y357 WeakPolarHBondContact CA-O 3.35Å; G321-Q358 PolarHBondContact N-O 3.23Å; G321-Q372 WeakPolarHBondContact CA-O 3.42Å
322	D	93.7	Very high	95.5	Very high	96 Å²	96	34 Å²	34	51%	0.513	19%	0.185	S	C	.	.	S	Bend	trans	-73.2	82.6	-175.5	176.2	37.3	0	0	0	111.4	Q372 R373	D322-Q372 PolarHBondContact N-O 3.18Å; D322-R373 PolarHBondContact O-NE 3.1Å; D322-R373 PolarHBondContact O-NH2 3.33Å; D322-R373 IonicContact OD2-CZ 3.28Å; D322-R373 IonicContact OD2-NH2 2.75Å; D322-R373 PolarHBondContact OD2-NH2 3.4Å
323	V	95.4	Very high	95.5	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.048	21%	0.206	C	C	.	.			trans	-135.3	126.5	-178.4	178.4	0	0	0	0	109.9	V288 Y319 G321 V328 I355 R373	V288-V323 HydrophobicContact CG1-CG1 4.38Å; V288-V323 HydrophobicContact CG2-CG1 4.01Å; V288-V323 HydrophobicContact CG2-CG2 4.26Å; Y319-V323 HydrophobicContact CD1-CG1 3.87Å; Y319-V323 HydrophobicContact CD1-CG2 4.19Å; Y319-V323 HydrophobicContact CG-CG1 3.88Å; G321-V323 VanDerWaalsContact C-N 3.33Å; G321-V323 PolarHBondContact O-N 3.36Å; V323-V328 HydrophobicContact CG1-CG2 3.35Å; V323-I355 HydrophobicContact CB-CG2 4.32Å; V323-R373 HydrophobicContact CG2-CB 3.82Å
324	V	93.8	Very high	95.6	Very high	73 Å²	73	38.5 Å²	38.5	44%	0.442	22%	0.224	S	C	.	.			trans	-102	135.7	179.3	-176.7	0	0	0	0	109.9	K326 D327 V328	V324-K326 HydrophobicContact CG1-CB 4.26Å; V324-K326 PolarHBondContact O-N 3.14Å; V324-D327 PolarHBondContact O-N 3.39Å; V324-V328 PolarHBondContact O-N 3.18Å
325	P	94.3	Very high	95.6	Very high	57 Å²	57	38.1 Å²	38.1	37%	0.37	22%	0.221	S	C	.	.	H	α-helix	trans	-53.5	-31.9	-178.9	-26.6	30.8	0	0	0	114.9	V328 N329 I355	P325-V328 PolarHBondContact O-N 2.86Å; P325-N329 PolarHBondContact O-N 2.78Å; P325-N329 PolarHBondContact O-ND2 3.01Å; P325-N329 VanDerWaalsContact O-ND2 3.13Å; P325-I355 HydrophobicContact CB-CD1 4.11Å; P325-I355 HydrophobicContact CG-CD1 3.75Å
326	K	96.2	Very high	95.4	Very high	151 Å²	151	43 Å²	43	66%	0.657	24%	0.242	S	C	*	.	H	α-helix	trans	-60.2	-46.7	176.9	-176.9	-176.1	175.4	-172.8	0	111.8	V324 V328 N329 V330	V324-K326 HydrophobicContact CG1-CB 4.26Å; V324-K326 PolarHBondContact O-N 3.14Å; K326-V328 VanDerWaalsContact C-N 3.31Å; K326-N329 PolarHBondContact O-N 3Å; K326-V330 WeakPolarHBondContact O-CG2 3.2Å; K326-V330 PolarHBondContact O-N 3.29Å; K326-V330 VanDerWaalsContact O-N 3.11Å
327	D	96.5	Very high	95.3	Very high	81 Å²	81	48.3 Å²	48.3	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-70.6	-34.3	-176.9	-61.9	-22	0	0	0	110.8	V288 V324 V330 A331	V288-D327 HydrophobicContact CB-CB 4.08Å; V288-D327 HydrophobicContact CG1-CB 4.3Å; V288-D327 HydrophobicContact CG2-CB 4.09Å; V324-D327 PolarHBondContact O-N 3.39Å; D327-V330 PolarHBondContact O-N 2.86Å; D327-A331 WeakPolarHBondContact O-CB 3.26Å; D327-A331 PolarHBondContact O-N 3.24Å
328	V	96.5	Very high	95.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-60.8	-47.8	172.2	177.1	0	0	0	0	111.2	V288 Y319 V323 V324 P325 K326 V330 A331 I332 V353 I355	V288-V328 HydrophobicContact CG1-CG2 3.98Å; Y319-V328 HydrophobicContact CD1-CG2 4.38Å; Y319-V328 HydrophobicContact CD2-CG1 4.18Å; Y319-V328 HydrophobicContact CD2-CG2 3.92Å; Y319-V328 HydrophobicContact CE1-CG2 4.24Å; Y319-V328 HydrophobicContact CE2-CB 4.22Å; Y319-V328 HydrophobicContact CE2-CG1 3.4Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.4Å; Y319-V328 HydrophobicContact CE2-CG2 3.75Å; Y319-V328 HydrophobicContact CG-CG2 4.24Å; V323-V328 HydrophobicContact CG1-CG2 3.35Å; V324-V328 PolarHBondContact O-N 3.18Å; P325-V328 PolarHBondContact O-N 2.86Å; K326-V328 VanDerWaalsContact C-N 3.31Å; V328-V330 VanDerWaalsContact C-N 3.32Å; V328-V330 PolarHBondContact O-N 2.78Å; V328-A331 PolarHBondContact O-N 3.12Å; V328-I332 HydrophobicContact CG1-CD1 3.69Å; V328-I332 HydrophobicContact CG1-CG1 4.33Å; V328-I332 WeakPolarHBondContact O-CG1 3.18Å; V328-I332 PolarHBondContact O-N 3.38Å; V328-V353 HydrophobicContact CG1-CG1 3.76Å; V328-V353 HydrophobicContact CG1-CG2 3.89Å; V328-I355 HydrophobicContact CG2-CD1 4.19Å
329	N	95.3	Very high	94.9	Very high	105 Å²	105	62.4 Å²	62.4	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-62.2	-39.3	178.9	-73.6	-37.4	0	0	0	112.2	P325 K326 A333	P325-N329 PolarHBondContact O-N 2.78Å; P325-N329 PolarHBondContact O-ND2 3.01Å; P325-N329 VanDerWaalsContact O-ND2 3.13Å; K326-N329 PolarHBondContact O-N 3Å; N329-A333 VanDerWaalsContact O-CB 3.31Å; N329-A333 WeakPolarHBondContact O-CB 3.34Å; N329-A333 PolarHBondContact O-N 2.9Å
330	V	97.5	Very high	94.5	Very high	93 Å²	93	67.1 Å²	67.1	56%	0.564	36%	0.358	S	S	*	.	H	α-helix	trans	-65	-44.1	175	173.3	0	0	0	0	111.1	K326 D327 V328 A333 A334	K326-V330 WeakPolarHBondContact O-CG2 3.2Å; K326-V330 PolarHBondContact O-N 3.29Å; K326-V330 VanDerWaalsContact O-N 3.11Å; D327-V330 PolarHBondContact O-N 2.86Å; V328-V330 VanDerWaalsContact C-N 3.32Å; V328-V330 PolarHBondContact O-N 2.78Å; V330-A333 PolarHBondContact O-N 3.46Å; V330-A334 PolarHBondContact O-N 3.48Å
331	A	97	Very high	94.4	Very high	3 Å²	3	67.9 Å²	67.9	3%	0.025	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-46.6	178.4	0	0	0	0	0	112	V288 A289 T292 D327 V328 A333 A334 I335	V288-A331 HydrophobicContact CG1-CB 4.34Å; A289-A331 HydrophobicContact CB-CB 4.38Å; T292-A331 HydrophobicContact CG2-CB 3.97Å; D327-A331 WeakPolarHBondContact O-CB 3.26Å; D327-A331 PolarHBondContact O-N 3.24Å; V328-A331 PolarHBondContact O-N 3.12Å; A331-A333 PolarHBondContact O-N 3.27Å; A331-A334 WeakPolarHBondContact O-CB 3.44Å; A331-A334 PolarHBondContact O-N 3.44Å; A331-I335 WeakPolarHBondContact O-CG1 3.45Å; A331-I335 PolarHBondContact O-N 2.87Å
332	I	95.9	Very high	94.2	Very high	13 Å²	13	72.4 Å²	72.4	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-63.3	-42.1	177.2	-68.7	171.6	0	0	0	111	M317 V328 A334 I335 K336 F351 V353	M317-I332 HydrophobicContact CG-CD1 4.42Å; V328-I332 HydrophobicContact CG1-CD1 3.69Å; V328-I332 HydrophobicContact CG1-CG1 4.33Å; V328-I332 WeakPolarHBondContact O-CG1 3.18Å; V328-I332 PolarHBondContact O-N 3.38Å; I332-A334 VanDerWaalsContact C-N 3.28Å; I332-A334 PolarHBondContact O-N 2.93Å; I332-I335 PolarHBondContact O-N 3.36Å; I332-I335 VanDerWaalsContact O-N 3.15Å; I332-K336 PolarHBondContact O-N 3.16Å; I332-F351 HydrophobicContact CD1-CB 4.46Å; I332-F351 HydrophobicContact CD1-CD1 4.01Å; I332-F351 HydrophobicContact CD1-CG 4.48Å; I332-F351 HydrophobicContact CG1-CD1 4.05Å; I332-F351 HydrophobicContact CG1-CE1 4.25Å; I332-F351 HydrophobicContact CG2-CB 4.28Å; I332-F351 HydrophobicContact CG2-CD1 3.82Å; I332-F351 HydrophobicContact CG2-CD2 3.95Å; I332-F351 HydrophobicContact CG2-CE1 4.03Å; I332-F351 HydrophobicContact CG2-CE2 4.16Å; I332-F351 HydrophobicContact CG2-CG 3.75Å; I332-F351 HydrophobicContact CG2-CZ 4.18Å; I332-V353 HydrophobicContact CD1-CG2 3.45Å; I332-V353 VanDerWaalsContact CD1-CG2 3.45Å
333	A	94.9	Very high	94.2	Very high	55 Å²	55	70.2 Å²	70.2	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-58.4	-41.6	175.1	0	0	0	0	0	111.5	N329 V330 A331 K336 T337	N329-A333 VanDerWaalsContact O-CB 3.31Å; N329-A333 WeakPolarHBondContact O-CB 3.34Å; N329-A333 PolarHBondContact O-N 2.9Å; V330-A333 PolarHBondContact O-N 3.46Å; A331-A333 PolarHBondContact O-N 3.27Å; A333-K336 PolarHBondContact O-N 2.96Å; A333-T337 WeakPolarHBondContact O-CG2 3.38Å; A333-T337 PolarHBondContact O-N 2.62Å
334	A	95.8	Very high	94	Very high	47 Å²	47	70.1 Å²	70.1	39%	0.388	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-41.3	175.2	0	0	0	0	0	112.3	V330 A331 I332 K336 T337	V330-A334 PolarHBondContact O-N 3.48Å; A331-A334 WeakPolarHBondContact O-CB 3.44Å; A331-A334 PolarHBondContact O-N 3.44Å; I332-A334 VanDerWaalsContact C-N 3.28Å; I332-A334 PolarHBondContact O-N 2.93Å; A334-K336 PolarHBondContact O-N 2.65Å; A334-T337 PolarHBondContact O-N 3.42Å; A334-T337 VanDerWaalsContact O-N 3.12Å; A334-T337 PolarHBondContact O-OG1 3.02Å
335	I	94.8	Very high	93.7	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-59.6	-45.4	176.3	-67.5	-63.3	0	0	0	111.8	T292 F296 A331 I332 T337 K338 I341 F343 F351	T292-I335 HydrophobicContact CG2-CG1 3.94Å; F296-I335 HydrophobicContact CD1-CG2 4.25Å; F296-I335 HydrophobicContact CD2-CD1 3.78Å; F296-I335 HydrophobicContact CD2-CG1 4.13Å; F296-I335 HydrophobicContact CD2-CG2 3.97Å; F296-I335 HydrophobicContact CE1-CG2 4Å; F296-I335 HydrophobicContact CE2-CD1 4.29Å; F296-I335 HydrophobicContact CE2-CG1 4.12Å; F296-I335 HydrophobicContact CE2-CG2 3.73Å; F296-I335 HydrophobicContact CG-CD1 4.35Å; F296-I335 HydrophobicContact CG-CG2 4.23Å; F296-I335 HydrophobicContact CZ-CG2 3.75Å; A331-I335 WeakPolarHBondContact O-CG1 3.45Å; A331-I335 PolarHBondContact O-N 2.87Å; I332-I335 PolarHBondContact O-N 3.36Å; I332-I335 VanDerWaalsContact O-N 3.15Å; I335-T337 PolarHBondContact O-N 2.99Å; I335-T337 VanDerWaalsContact O-N 3.08Å; I335-K338 HydrophobicContact CD1-CD 4.28Å; I335-K338 WeakPolarHBondContact O-CB 3.29Å; I335-K338 PolarHBondContact O-N 3.33Å; I335-I341 HydrophobicContact CD1-CD1 4.11Å; I335-I341 HydrophobicContact CG2-CD1 3.79Å; I335-I341 HydrophobicContact CG2-CG2 4.35Å; I335-F343 HydrophobicContact CG2-CZ 4.48Å; I335-F351 HydrophobicContact CG2-CZ 3.99Å
336	K	92.2	Very high	93.3	Very high	103 Å²	103	71.2 Å²	71.2	45%	0.448	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-18.7	177.5	-69.1	-171.9	177.2	-161.4	0	113.9	I332 A333 A334 P348 F351	I332-K336 PolarHBondContact O-N 3.16Å; A333-K336 PolarHBondContact O-N 2.96Å; A334-K336 PolarHBondContact O-N 2.65Å; K336-P348 PolarHBondContact NZ-O 3.33Å; K336-P348 VanDerWaalsContact NZ-O 3.15Å; K336-F351 VanDerWaalsContact CE-CD2 3.43Å; K336-F351 HydrophobicContact CG-CE2 4.04Å
337	T	92.6	Very high	92.5	Very high	113 Å²	113	65.4 Å²	65.4	69%	0.693	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.7	176.4	67.4	0	0	0	0	114	A333 A334 I335 R339	A333-T337 WeakPolarHBondContact O-CG2 3.38Å; A333-T337 PolarHBondContact O-N 2.62Å; A334-T337 PolarHBondContact O-N 3.42Å; A334-T337 VanDerWaalsContact O-N 3.12Å; A334-T337 PolarHBondContact O-OG1 3.02Å; I335-T337 PolarHBondContact O-N 2.99Å; I335-T337 VanDerWaalsContact O-N 3.08Å; T337-R339 PolarHBondContact O-N 3.18Å
338	K	93	Very high	91.1	Very high	65 Å²	65	66.2 Å²	66.2	28%	0.283	35%	0.348	S	S	.	.			trans	-77.7	114.4	-178.7	-67.9	-173	-177.8	177.7	0	110.1	S293 I335 T340 I341	S293-K338 PolarHBondContact OG-NZ 3.09Å; I335-K338 HydrophobicContact CD1-CD 4.28Å; I335-K338 WeakPolarHBondContact O-CB 3.29Å; I335-K338 PolarHBondContact O-N 3.33Å; K338-T340 PolarHBondContact O-N 3.18Å; K338-T340 VanDerWaalsContact O-N 3.14Å; K338-I341 HydrophobicContact CB-CB 4.5Å; K338-I341 HydrophobicContact CB-CD1 4Å; K338-I341 HydrophobicContact CB-CG1 4.15Å; K338-I341 HydrophobicContact CD-CD1 3.81Å; K338-I341 HydrophobicContact CG-CD1 4.47Å; K338-I341 PolarHBondContact O-N 3.1Å
339	R	89.3	Confident	89.7	Confident	239 Å²	239	71.6 Å²	71.6	90%	0.902	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.7	179.2	-63.9	-175.7	179.8	-170	-1.9	114.8	T337 I341	T337-R339 PolarHBondContact O-N 3.18Å; R339-I341 PolarHBondContact O-N 2.91Å
340	T	89.6	Confident	89.1	Confident	102 Å²	102	67 Å²	67	63%	0.626	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.5	177.5	54.5	0	0	0	0	113	K338	K338-T340 PolarHBondContact O-N 3.18Å; K338-T340 VanDerWaalsContact O-N 3.14Å
341	I	92.5	Very high	88.8	Confident	18 Å²	18	64.1 Å²	64.1	9%	0.092	34%	0.338	C	S	.	.	S	Bend	trans	-113.6	107.9	-180	-56	176.4	0	0	0	106.7	F296 Y312 I335 K338 R339 F343	F296-I341 HydrophobicContact CB-CD1 3.56Å; F296-I341 HydrophobicContact CB-CG1 4.36Å; F296-I341 HydrophobicContact CD1-CD1 3.86Å; F296-I341 HydrophobicContact CD1-CG1 4.42Å; F296-I341 HydrophobicContact CD1-CG2 3.74Å; F296-I341 HydrophobicContact CE1-CG2 4.02Å; F296-I341 HydrophobicContact CG-CD1 3.74Å; Y312-I341 HydrophobicContact CD2-CG2 3.78Å; Y312-I341 HydrophobicContact CE2-CG2 3.77Å; I335-I341 HydrophobicContact CD1-CD1 4.11Å; I335-I341 HydrophobicContact CG2-CD1 3.79Å; I335-I341 HydrophobicContact CG2-CG2 4.35Å; K338-I341 HydrophobicContact CB-CB 4.5Å; K338-I341 HydrophobicContact CB-CD1 4Å; K338-I341 HydrophobicContact CB-CG1 4.15Å; K338-I341 HydrophobicContact CD-CD1 3.81Å; K338-I341 HydrophobicContact CG-CD1 4.47Å; K338-I341 PolarHBondContact O-N 3.1Å; R339-I341 PolarHBondContact O-N 2.91Å; I341-F343 HydrophobicContact CB-CE2 4.45Å; I341-F343 HydrophobicContact CG2-CD2 4.35Å; I341-F343 HydrophobicContact CG2-CE2 3.47Å; I341-F343 VanDerWaalsContact CG2-CE2 3.47Å; I341-F343 HydrophobicContact CG2-CZ 3.76Å
342	Q	92.3	Very high	88.5	Confident	98 Å²	98	66.9 Å²	66.9	46%	0.458	35%	0.35	S	S	.	.			trans	-100.6	137.5	-177.3	-61.8	-173.2	-10.1	0	0	110.3	K311 Y312	K311-Q342 WeakPolarHBondContact CA-O 3.26Å; K311-Q342 HydrophobicContact CG-CB 3.99Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.5Å; Y312-Q342 PolarHBondContact N-O 3.42Å
343	F	92.5	Very high	88.4	Confident	49 Å²	49	67.2 Å²	67.2	22%	0.215	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-116.1	152.2	172.8	-66.7	-91.8	0	0	0	108.3	F296 Y312 I335 I341 F351	F296-F343 HydrophobicContact CE1-CZ 4.17Å; Y312-F343 VanDerWaalsContact CB-CD1 3.49Å; Y312-F343 HydrophobicContact CD2-CE1 4.42Å; Y312-F343 HydrophobicContact CD2-CZ 4.41Å; Y312-F343 HydrophobicContact CG-CE1 4.16Å; Y312-F343 VanDerWaalsContact O-CA 3.3Å; Y312-F343 WeakPolarHBondContact O-CA 3.27Å; I335-F343 HydrophobicContact CG2-CZ 4.48Å; I341-F343 HydrophobicContact CB-CE2 4.45Å; I341-F343 HydrophobicContact CG2-CD2 4.35Å; I341-F343 HydrophobicContact CG2-CE2 3.47Å; I341-F343 VanDerWaalsContact CG2-CE2 3.47Å; I341-F343 HydrophobicContact CG2-CZ 3.76Å; F343-F351 HydrophobicContact CD1-CE2 4.35Å; F343-F351 HydrophobicContact CE1-CD2 4.33Å; F343-F351 AromaticContact CE1-CE2 3.44Å; F343-F351 HydrophobicContact CE1-CE2 3.44Å; F343-F351 VanDerWaalsContact CE1-CE2 3.44Å; F343-F351 AromaticContact CE1-CZ 3.78Å; F343-F351 HydrophobicContact CE1-CZ 3.78Å; F343-F351 HydrophobicContact CE2-CE2 4.17Å; F343-F351 HydrophobicContact CE2-CZ 4.4Å; F343-F351 AromaticContact CZ-CE2 3.36Å; F343-F351 HydrophobicContact CZ-CE2 3.36Å; F343-F351 AromaticContact CZ-CZ 3.43Å; F343-F351 HydrophobicContact CZ-CZ 3.43Å; F343-F351 VanDerWaalsContact CZ-CZ 3.43Å
344	V	91.5	Very high	88.4	Confident	6 Å²	6	64.9 Å²	64.9	4%	0.036	33%	0.334	C	S	.	.			trans	-61.7	146.1	169.1	-60.4	0	0	0	0	110.6	K311 Y312 M313 W346 C347	K311-V344 HydrophobicContact CB-CG1 3.89Å; K311-V344 HydrophobicContact CD-CG1 4.5Å; Y312-V344 PolarHBondContact O-N 3.4Å; M313-V344 HydrophobicContact CB-CG2 4.45Å; M313-V344 HydrophobicContact CG-CG1 3.76Å; M313-V344 HydrophobicContact CG-CG2 4.37Å; V344-W346 HydrophobicContact CB-CD2 4.21Å; V344-W346 HydrophobicContact CB-CG 4.4Å; V344-W346 HydrophobicContact CB-CZ2 4.02Å; V344-W346 HydrophobicContact CG1-CZ2 4.04Å; V344-W346 HydrophobicContact CG2-CD2 3.78Å; V344-W346 VanDerWaalsContact CG2-CE2 3.49Å; V344-W346 HydrophobicContact CG2-CE3 4.16Å; V344-W346 HydrophobicContact CG2-CG 4.33Å; V344-W346 HydrophobicContact CG2-CH2 3.98Å; V344-W346 HydrophobicContact CG2-CZ2 3.61Å; V344-W346 HydrophobicContact CG2-CZ3 4.25Å; V344-C347 HydrophobicContact CG2-CB 3.63Å
345	D	87.4	Confident	88.3	Confident	52 Å²	52	62.7 Å²	62.7	28%	0.278	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-33.5	-176.3	59.1	-11.8	0	0	0	112.8	C347 S439	D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 3.49Å; D345-S439 WeakPolarHBondContact OD2-CB 3.49Å; D345-S439 PolarHBondContact OD2-N 3.25Å; D345-S439 PolarHBondContact OD2-OG 2.96Å
346	W	86.6	Confident	88.3	Confident	101 Å²	101	63 Å²	63	38%	0.383	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.6	-179	54.6	-101.5	0	0	0	114.1	P261 M313 V344 P348 V435	P261-W346 HydrophobicContact CB-CH2 3.77Å; P261-W346 HydrophobicContact CB-CZ3 4.16Å; P261-W346 HydrophobicContact CG-CH2 4.11Å; M313-W346 HydrophobicContact CB-CH2 4.1Å; M313-W346 HydrophobicContact CB-CZ2 4.37Å; M313-W346 HydrophobicContact CG-CH2 4.07Å; M313-W346 HydrophobicContact CG-CZ2 3.87Å; M313-W346 HydrophobicContact SD-CH2 4.44Å; M313-W346 HydrophobicContact SD-CZ2 4.25Å; V344-W346 HydrophobicContact CB-CD2 4.21Å; V344-W346 HydrophobicContact CB-CG 4.4Å; V344-W346 HydrophobicContact CB-CZ2 4.02Å; V344-W346 HydrophobicContact CG1-CZ2 4.04Å; V344-W346 HydrophobicContact CG2-CD2 3.78Å; V344-W346 VanDerWaalsContact CG2-CE2 3.49Å; V344-W346 HydrophobicContact CG2-CE3 4.16Å; V344-W346 HydrophobicContact CG2-CG 4.33Å; V344-W346 HydrophobicContact CG2-CH2 3.98Å; V344-W346 HydrophobicContact CG2-CZ2 3.61Å; V344-W346 HydrophobicContact CG2-CZ3 4.25Å; W346-P348 WeakPolarHBondContact O-CD 3.23Å; W346-V435 HydrophobicContact CZ2-CB 4.29Å; W346-V435 PolarHBondContact NE1-O 2.82Å; W346-V435 VanDerWaalsContact NE1-O 3.17Å
347	C	79.6	Confident	88.3	Confident	29 Å²	29	64.7 Å²	64.7	20%	0.196	32%	0.322	C	S	.	.			trans	-123	75.6	177.2	-167.1	0	0	0	0	112.8	M313 V344 D345 T349 G350	M313-C347 PolarHBondContact O-SG 3.41Å; V344-C347 HydrophobicContact CG2-CB 3.63Å; D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 3.49Å; C347-T349 PolarHBondContact O-N 3.44Å; C347-G350 PolarHBondContact O-N 2.62Å
348	P	66.3	Low	88.3	Confident	98 Å²	98	63 Å²	63	64%	0.636	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.7	-177.5	26	-34.1	0	0	0	113.5	K336 W346	K336-P348 PolarHBondContact NZ-O 3.33Å; K336-P348 VanDerWaalsContact NZ-O 3.15Å; W346-P348 WeakPolarHBondContact O-CD 3.23Å
349	T	67.5	Low	88.4	Confident	115 Å²	115	61.5 Å²	61.5	71%	0.706	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	23.8	-177.1	55.6	0	0	0	0	113.3	C347 F351	C347-T349 PolarHBondContact O-N 3.44Å; T349-F351 PolarHBondContact O-N 2.91Å
350	G	81.6	Confident	88.7	Confident	7 Å²	7	50.4 Å²	50.4	7%	0.072	26%	0.262	C	S	.	.			trans	-62.7	23.5	-172.1	0	0	0	0	0	117.7	A314 C315 C347	A314-G350 CarbonylContact C-O 3.56Å; C315-G350 PolarHBondContact N-O 3.18Å; C347-G350 PolarHBondContact O-N 2.62Å
351	F	91.5	Very high	88.9	Confident	34 Å²	34	47 Å²	47	15%	0.149	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	172.8	-77.3	-96.6	0	0	0	111.6	F296 C315 M317 I332 I335 K336 F343 T349	F296-F351 HydrophobicContact CE1-CZ 4.43Å; F296-F351 HydrophobicContact CE2-CE1 4.31Å; F296-F351 AromaticContact CZ-CE1 3.69Å; F296-F351 HydrophobicContact CZ-CE1 3.69Å; F296-F351 AromaticContact CZ-CZ 3.76Å; F296-F351 HydrophobicContact CZ-CZ 3.76Å; C315-F351 HydrophobicContact CB-CD1 3.92Å; C315-F351 HydrophobicContact CB-CE1 3.92Å; C315-F351 HydrophobicContact CB-CG 4.44Å; C315-F351 HydrophobicContact CB-CZ 4.43Å; C315-F351 CarbonylContact O-C 3.49Å; C315-F351 VanDerWaalsContact O-CA 3.25Å; C315-F351 WeakPolarHBondContact O-CA 3.42Å; M317-F351 HydrophobicContact CG-CD1 3.98Å; M317-F351 HydrophobicContact CG-CE1 4.34Å; M317-F351 HydrophobicContact SD-CD1 4.44Å; M317-F351 HydrophobicContact SD-CE1 4.26Å; I332-F351 HydrophobicContact CD1-CB 4.46Å; I332-F351 HydrophobicContact CD1-CD1 4.01Å; I332-F351 HydrophobicContact CD1-CG 4.48Å; I332-F351 HydrophobicContact CG1-CD1 4.05Å; I332-F351 HydrophobicContact CG1-CE1 4.25Å; I332-F351 HydrophobicContact CG2-CB 4.28Å; I332-F351 HydrophobicContact CG2-CD1 3.82Å; I332-F351 HydrophobicContact CG2-CD2 3.95Å; I332-F351 HydrophobicContact CG2-CE1 4.03Å; I332-F351 HydrophobicContact CG2-CE2 4.16Å; I332-F351 HydrophobicContact CG2-CG 3.75Å; I332-F351 HydrophobicContact CG2-CZ 4.18Å; I335-F351 HydrophobicContact CG2-CZ 3.99Å; K336-F351 VanDerWaalsContact CE-CD2 3.43Å; K336-F351 HydrophobicContact CG-CE2 4.04Å; F343-F351 HydrophobicContact CD1-CE2 4.35Å; F343-F351 HydrophobicContact CE1-CD2 4.33Å; F343-F351 AromaticContact CE1-CE2 3.44Å; F343-F351 HydrophobicContact CE1-CE2 3.44Å; F343-F351 VanDerWaalsContact CE1-CE2 3.44Å; F343-F351 AromaticContact CE1-CZ 3.78Å; F343-F351 HydrophobicContact CE1-CZ 3.78Å; F343-F351 HydrophobicContact CE2-CE2 4.17Å; F343-F351 HydrophobicContact CE2-CZ 4.4Å; F343-F351 AromaticContact CZ-CE2 3.36Å; F343-F351 HydrophobicContact CZ-CE2 3.36Å; F343-F351 AromaticContact CZ-CZ 3.43Å; F343-F351 HydrophobicContact CZ-CZ 3.43Å; F343-F351 VanDerWaalsContact CZ-CZ 3.43Å; T349-F351 PolarHBondContact O-N 2.91Å
352	K	92.4	Very high	88.9	Confident	60 Å²	60	47.9 Å²	47.9	26%	0.261	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.8	163.8	-177.2	70	175	-160.5	0	108.6	V250 E254 N258 C315 C316 M317	V250-K352 HydrophobicContact CG2-CG 4.49Å; E254-K352 WeakPolarHBondContact OE2-CE 3.23Å; E254-K352 IonicContact OE2-NZ 2.76Å; E254-K352 PolarHBondContact OE2-NZ 2.91Å; N258-K352 HydrophobicContact CB-CB 4.27Å; N258-K352 HydrophobicContact CB-CG 4.37Å; C315-K352 PolarHBondContact O-N 2.83Å; C316-K352 CarbonylContact C-O 3.5Å; C316-K352 WeakPolarHBondContact CA-O 3.02Å; C316-K352 HydrophobicContact CB-CB 4.39Å; M317-K352 PolarHBondContact N-O 3.32Å
353	V	93.5	Very high	88.9	Confident	21 Å²	21	43.8 Å²	43.8	13%	0.127	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.7	-179.2	176	0	0	0	0	109.2	L248 M317 Y319 V328 I332 I355	L248-V353 VanDerWaalsContact CB-O 3.23Å; L248-V353 WeakPolarHBondContact CB-O 3.3Å; L248-V353 HydrophobicContact CD1-CB 4.23Å; L248-V353 HydrophobicContact CD1-CG1 4.07Å; M317-V353 WeakPolarHBondContact O-CA 3.39Å; Y319-V353 HydrophobicContact CD2-CG1 4.13Å; Y319-V353 HydrophobicContact CE2-CG1 4.21Å; V328-V353 HydrophobicContact CG1-CG1 3.76Å; V328-V353 HydrophobicContact CG1-CG2 3.89Å; I332-V353 HydrophobicContact CD1-CG2 3.45Å; I332-V353 VanDerWaalsContact CD1-CG2 3.45Å; V353-I355 HydrophobicContact CG1-CD1 4.25Å; V353-I355 HydrophobicContact CG1-CG1 3.96Å
354	G	93.8	Very high	88.8	Confident	6 Å²	6	46.3 Å²	46.3	6%	0.062	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139	164.6	0	0	0	0	0	110.1	L248 M317 Y319	L248-G354 WeakPolarHBondContact O-CA 3.39Å; M317-G354 PolarHBondContact O-N 2.56Å; Y319-G354 PolarHBondContact N-O 3.5Å
355	I	95	Very high	88.5	Confident	1 Å²	1	50 Å²	50	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115	178.8	-60.3	168.4	0	0	0	108.7	G246 A247 Y319 V323 P325 V328 V353 Y357	G246-I355 CarbonylContact C-O 3.52Å; G246-I355 WeakPolarHBondContact CA-O 3.1Å; A247-I355 HydrophobicContact CB-CB 4.43Å; A247-I355 PolarHBondContact N-O 3.02Å; A247-I355 PolarHBondContact O-N 2.82Å; Y319-I355 HydrophobicContact CD2-CG1 4.37Å; V323-I355 HydrophobicContact CB-CG2 4.32Å; P325-I355 HydrophobicContact CB-CD1 4.11Å; P325-I355 HydrophobicContact CG-CD1 3.75Å; V328-I355 HydrophobicContact CG2-CD1 4.19Å; V353-I355 HydrophobicContact CG1-CD1 4.25Å; V353-I355 HydrophobicContact CG1-CG1 3.96Å; I355-Y357 HydrophobicContact CG2-CD1 4.44Å; I355-Y357 HydrophobicContact CG2-CE1 4.36Å
356	N	93.3	Very high	88.5	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.027	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.3	172.9	-163.2	-86.5	0	0	0	110.3	A240 F244 D245 Y319 R320 G321 Q358	A240-N356 HydrophobicContact CB-CB 4.1Å; A240-N356 PolarHBondContact O-ND2 3.15Å; F244-N356 WeakPolarHBondContact CB-ND2 3.4Å; F244-N356 PolarHBondContact O-ND2 2.86Å; D245-N356 PolarHBondContact O-ND2 2.87Å; Y319-N356 PolarHBondContact O-N 3.13Å; R320-N356 CarbonylContact C-O 3.45Å; R320-N356 WeakPolarHBondContact CA-O 3.3Å; G321-N356 PolarHBondContact N-O 2.87Å; N356-Q358 VanDerWaalsContact C-N 3.28Å; N356-Q358 PolarHBondContact O-N 3.16Å; N356-Q358 VanDerWaalsContact OD1-CB 3.25Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.26Å; N356-Q358 PolarHBondContact OD1-N 2.98Å
357	Y	92.7	Very high	88.6	Confident	140 Å²	140	46.2 Å²	46.2	55%	0.549	28%	0.282	S	S	.	.	S	Bend	trans	-75.4	-19	-176.4	-56.8	-43.2	0	0	0	113.4	D245 A247 G321 I355 P359	D245-Y357 PolarHBondContact O-N 2.91Å; A247-Y357 HydrophobicContact CB-CE1 4.47Å; G321-Y357 WeakPolarHBondContact CA-O 3.35Å; I355-Y357 HydrophobicContact CG2-CD1 4.44Å; I355-Y357 HydrophobicContact CG2-CE1 4.36Å; Y357-P359 WeakPolarHBondContact O-CD 3.04Å
358	Q	92.4	Very high	89.1	Confident	76 Å²	76	46.2 Å²	46.2	36%	0.355	28%	0.28	S	S	.	.	S	Bend	trans	-75.7	119.4	177.9	-173	64.6	6.8	0	0	109.8	F244 R320 G321 N356	F244-Q358 HydrophobicContact CB-CB 4.43Å; F244-Q358 HydrophobicContact CD2-CB 4.32Å; F244-Q358 HydrophobicContact CD2-CG 4.49Å; F244-Q358 HydrophobicContact CG-CB 4.2Å; R320-Q358 PolarHBondContact NE-O 3.41Å; R320-Q358 PolarHBondContact NH2-O 3.36Å; R320-Q358 VanDerWaalsContact NH2-O 3.14Å; G321-Q358 PolarHBondContact N-O 3.23Å; N356-Q358 VanDerWaalsContact C-N 3.28Å; N356-Q358 PolarHBondContact O-N 3.16Å; N356-Q358 VanDerWaalsContact OD1-CB 3.25Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.26Å; N356-Q358 PolarHBondContact OD1-N 2.98Å
359	P	94.8	Very high	90.3	Very high	34 Å²	34	41.9 Å²	41.9	22%	0.221	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-64.3	159.5	174.1	28.3	-34.3	0	0	0	111	Y357 T361	Y357-P359 WeakPolarHBondContact O-CD 3.04Å; P359-T361 PolarHBondContact O-N 2.86Å
360	P	95.2	Very high	91.5	Very high	7 Å²	7	44 Å²	44	5%	0.045	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.8	137	175.2	-20.8	32.4	0	0	0	111.6	Y272 R320 V371 A374	Y272-P360 WeakPolarHBondContact OH-CG 3.38Å; R320-P360 HydrophobicContact CB-CG 3.88Å; R320-P360 HydrophobicContact CG-CG 4.42Å; P360-V371 HydrophobicContact CB-CG2 4.47Å; P360-V371 HydrophobicContact CG-CG2 4.07Å; P360-A374 HydrophobicContact CG-CB 3.49Å; P360-A374 VanDerWaalsContact CG-CB 3.49Å
361	T	95.1	Very high	92.1	Very high	31 Å²	31	44.3 Å²	44.3	19%	0.19	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-91.4	143.6	171.3	-62.8	0	0	0	0	109.4	L23 L26 E27 Q233 P359	L23-T361 HydrophobicContact CD1-CG2 4.21Å; L23-T361 VanDerWaalsContact CD1-O 3.25Å; L23-T361 WeakPolarHBondContact CD1-O 3.5Å; L26-T361 HydrophobicContact CB-CG2 3.83Å; E27-T361 HydrophobicContact CG-CG2 4.28Å; E27-T361 WeakPolarHBondContact CG-OG1 3.39Å; Q233-T361 PolarHBondContact NE2-O 3.01Å; P359-T361 PolarHBondContact O-N 2.86Å
362	V	92	Very high	92.1	Very high	35 Å²	35	48.5 Å²	48.5	21%	0.212	27%	0.272	C	S	.	.			trans	-114.3	145.6	176.1	-65.2	0	0	0	0	110.1	L368 A369 K370	V362-L368 HydrophobicContact CG1-CB 4.01Å; V362-A369 WeakPolarHBondContact CG1-O 3.43Å; V362-K370 HydrophobicContact CG2-CB 4.08Å
363	V	92.3	Very high	92.3	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.079	27%	0.271	C	S	.	.			trans	-68.7	127.4	174.4	-179	0	0	0	0	108.7	E22 L26 G365 G366	E22-V363 HydrophobicContact CG-CG1 4.32Å; E22-V363 HydrophobicContact CG-CG2 4.11Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.44Å; L26-V363 HydrophobicContact CD1-CB 4.3Å; L26-V363 HydrophobicContact CD1-CG1 4.41Å; L26-V363 HydrophobicContact CD1-CG2 4.05Å; V363-G365 PolarHBondContact O-N 3.25Å; V363-G366 WeakPolarHBondContact O-CA 3.23Å; V363-G366 PolarHBondContact O-N 3.4Å
364	P	89.6	Confident	92.4	Very high	101 Å²	101	47.6 Å²	47.6	66%	0.656	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	130	176	-26.6	34.9	0	0	0	112.1	G366	P364-G366 PolarHBondContact O-N 3.21Å
365	G	86	Confident	92.6	Very high	85 Å²	85	47.3 Å²	47.3	88%	0.876	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	9.5	-175.1	0	0	0	0	0	114.7	V363	V363-G365 PolarHBondContact O-N 3.25Å
366	G	86.8	Confident	92.7	Very high	21 Å²	21	47.2 Å²	47.2	22%	0.216	26%	0.262	C	S	.	.			trans	-78.8	172.6	170.5	0	0	0	0	0	113.2	V363 P364	V363-G366 WeakPolarHBondContact O-CA 3.23Å; V363-G366 PolarHBondContact O-N 3.4Å; P364-G366 PolarHBondContact O-N 3.21Å
367	D	88.7	Confident	92.9	Very high	51 Å²	51	47 Å²	47	27%	0.273	26%	0.26	S	S	.	.	S	Bend	trans	-82.2	-20.9	-172.4	-43.9	-82.6	0	0	0	113.7	L217 I219 N226	L217-D367 HydrophobicContact CD1-CB 4.16Å; I219-D367 HydrophobicContact CD1-CB 3.88Å; N226-D367 VanDerWaalsContact ND2-CG 3.35Å; N226-D367 PolarHBondContact ND2-OD1 3.28Å; N226-D367 PolarHBondContact ND2-OD2 2.98Å
368	L	91.6	Very high	93.1	Very high	29 Å²	29	40.3 Å²	40.3	15%	0.152	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-81.2	134	-177.8	-69.2	170.4	0	0	0	111.2	L217 Q233 I275 V362	L217-L368 HydrophobicContact CD1-CD2 4.27Å; L217-L368 HydrophobicContact CD2-CD2 3.91Å; Q233-L368 HydrophobicContact CG-CD1 3.62Å; I275-L368 HydrophobicContact CG2-CD2 4.19Å; V362-L368 HydrophobicContact CG1-CB 4.01Å
369	A	91.4	Very high	93.2	Very high	8 Å²	8	36.7 Å²	36.7	7%	0.066	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.7	147.9	171.7	0	0	0	0	0	112.1	I276 A281 V362 V371	I276-A369 HydrophobicContact CG2-CB 3.93Å; I276-A369 PolarHBondContact O-N 3.16Å; A281-A369 HydrophobicContact CB-CB 3.38Å; V362-A369 WeakPolarHBondContact CG1-O 3.43Å; A369-V371 PolarHBondContact O-N 2.87Å
370	K	91.8	Very high	93.2	Very high	159 Å²	159	35.1 Å²	35.1	69%	0.691	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-69.2	118.5	166.9	-173.5	175	-176.5	174.4	0	109.4	V362	V362-K370 HydrophobicContact CG2-CB 4.08Å
371	V	93.4	Very high	93.2	Very high	13 Å²	13	34.8 Å²	34.8	8%	0.079	21%	0.205	C	C	.	.			trans	-116.3	150.6	179.5	-64.5	0	0	0	0	111.3	P274 I276 L286 P360 A369 R373 A374	P274-V371 HydrophobicContact CG-CB 4.49Å; P274-V371 HydrophobicContact CG-CG1 3.99Å; I276-V371 HydrophobicContact CG2-CG1 4.12Å; L286-V371 HydrophobicContact CD1-CB 4.41Å; L286-V371 HydrophobicContact CD1-CG1 3.85Å; P360-V371 HydrophobicContact CB-CG2 4.47Å; P360-V371 HydrophobicContact CG-CG2 4.07Å; A369-V371 PolarHBondContact O-N 2.87Å; V371-R373 VanDerWaalsContact C-N 3.35Å; V371-R373 WeakPolarHBondContact CG2-O 3.45Å; V371-A374 HydrophobicContact CG2-CB 4.44Å
372	Q	93.2	Very high	93.2	Very high	123 Å²	123	34.1 Å²	34.1	58%	0.575	20%	0.2	S	C	*	.	S	Bend	trans	-83.9	-15.5	177.6	-63.7	-58.3	-41.5	0	0	112.9	G321 D322	G321-Q372 WeakPolarHBondContact CA-O 3.42Å; D322-Q372 PolarHBondContact N-O 3.18Å
373	R	95.5	Very high	93.4	Very high	61 Å²	61	32.5 Å²	32.5	23%	0.23	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	150.8	176.8	63.2	-176.1	75.5	123.6	-6.1	111.9	L286 I291 R320 D322 V323 V371	L286-R373 VanDerWaalsContact O-CD 3.26Å; L286-R373 WeakPolarHBondContact O-CD 3.41Å; L286-R373 PolarHBondContact O-NH1 3.25Å; I291-R373 HydrophobicContact CD1-CG 4.19Å; R320-R373 WeakPolarHBondContact O-CA 3.41Å; D322-R373 PolarHBondContact O-NE 3.1Å; D322-R373 PolarHBondContact O-NH2 3.33Å; D322-R373 IonicContact OD2-CZ 3.28Å; D322-R373 IonicContact OD2-NH2 2.75Å; D322-R373 PolarHBondContact OD2-NH2 3.4Å; V323-R373 HydrophobicContact CG2-CB 3.82Å; V371-R373 VanDerWaalsContact C-N 3.35Å; V371-R373 WeakPolarHBondContact CG2-O 3.45Å
374	A	96.8	Very high	93.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	170.2	171.2	0	0	0	0	0	110	Y272 A273 Y319 R320 P360 V371	Y272-A374 HydrophobicContact CE1-CB 4.09Å; Y272-A374 HydrophobicContact CE2-CB 4.42Å; Y272-A374 WeakPolarHBondContact OH-CB 3.19Å; A273-A374 CarbonylContact O-C 3.58Å; A273-A374 VanDerWaalsContact O-CA 3.24Å; A273-A374 WeakPolarHBondContact O-CA 3.35Å; A273-A374 WeakPolarHBondContact O-CB 3.28Å; Y319-A374 CarbonylContact C-O 3.48Å; Y319-A374 WeakPolarHBondContact CA-O 3.36Å; R320-A374 PolarHBondContact N-O 2.84Å; R320-A374 PolarHBondContact O-N 2.79Å; R320-A374 VanDerWaalsContact O-N 3.07Å; P360-A374 HydrophobicContact CG-CB 3.49Å; P360-A374 VanDerWaalsContact CG-CB 3.49Å; V371-A374 HydrophobicContact CG2-CB 4.44Å
375	V	97.4	Very high	93.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.4	173.3	59.7	0	0	0	0	109.8	Y272 A273 I291 M317 L318 Y319	Y272-V375 WeakPolarHBondContact CA-O 2.82Å; A273-V375 HydrophobicContact CB-CG1 4.22Å; A273-V375 PolarHBondContact N-O 3.42Å; A273-V375 PolarHBondContact O-N 3.34Å; I291-V375 HydrophobicContact CB-CG1 3.92Å; I291-V375 HydrophobicContact CD1-CB 4.28Å; I291-V375 HydrophobicContact CD1-CG1 4Å; I291-V375 HydrophobicContact CG1-CG1 3.75Å; M317-V375 HydrophobicContact CB-CG2 4.37Å; M317-V375 HydrophobicContact CE-CG2 3.7Å; L318-V375 WeakPolarHBondContact O-CA 3.37Å; Y319-V375 HydrophobicContact CD1-CB 3.61Å; Y319-V375 HydrophobicContact CD1-CG2 3.76Å; Y319-V375 HydrophobicContact CD2-CG2 4.27Å; Y319-V375 HydrophobicContact CE1-CB 3.67Å; Y319-V375 HydrophobicContact CE1-CG1 4.26Å; Y319-V375 HydrophobicContact CE1-CG2 3.61Å; Y319-V375 HydrophobicContact CE2-CG2 4.14Å; Y319-V375 HydrophobicContact CG-CB 4.28Å; Y319-V375 HydrophobicContact CG-CG2 4.08Å
376	C	97.4	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.6	165.5	-176.7	0	0	0	0	107.3	T271 Y272 L318	T271-C376 WeakPolarHBondContact O-CA 3.44Å; Y272-C376 HydrophobicContact CD2-CB 3.85Å; Y272-C376 HydrophobicContact CE2-CB 4.29Å; L318-C376 HydrophobicContact CB-CB 4.26Å; L318-C376 WeakPolarHBondContact CB-O 3.34Å; L318-C376 PolarHBondContact N-O 3.28Å; L318-C376 PolarHBondContact O-N 2.89Å
377	M	97.1	Very high	94.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.7	173.1	169.8	-174.7	86	0	0	109.6	T271 C295 F296 Y312 C315 C316 M317	T271-M377 HydrophobicContact CG2-CE 4.06Å; T271-M377 PolarHBondContact N-O 3.01Å; T271-M377 PolarHBondContact O-N 3.24Å; T271-M377 WeakPolarHBondContact OG1-CB 3.21Å; T271-M377 PolarHBondContact OG1-O 2.64Å; C295-M377 HydrophobicContact CB-CB 4.03Å; C295-M377 HydrophobicContact CB-CE 4.06Å; C295-M377 HydrophobicContact CB-SD 4.09Å; C295-M377 VanDerWaalsContact O-CE 3.24Å; C295-M377 WeakPolarHBondContact O-CE 3.19Å; F296-M377 HydrophobicContact CD1-CE 4.28Å; F296-M377 HydrophobicContact CD1-SD 4.33Å; F296-M377 HydrophobicContact CD2-SD 4.15Å; F296-M377 HydrophobicContact CE1-CE 4.21Å; F296-M377 HydrophobicContact CE1-SD 3.78Å; F296-M377 HydrophobicContact CE2-SD 3.55Å; F296-M377 VanDerWaalsContact CE2-SD 3.55Å; F296-M377 HydrophobicContact CG-CE 4.48Å; F296-M377 HydrophobicContact CZ-CE 4.31Å; F296-M377 HydrophobicContact CZ-SD 3.33Å; F296-M377 WeakPolarHBondContact CZ-SD 3.4Å; Y312-M377 HydrophobicContact CE1-CE 4.46Å; C315-M377 HydrophobicContact CB-SD 4.46Å; C316-M377 WeakPolarHBondContact O-CA 3.39Å; M317-M377 HydrophobicContact CE-CB 3.99Å; M317-M377 HydrophobicContact CE-CG 4.39Å; M317-M377 HydrophobicContact CE-SD 4.32Å; M317-M377 HydrophobicContact SD-CB 3.7Å; M317-M377 HydrophobicContact SD-CG 3.54Å; M317-M377 VanDerWaalsContact SD-CG 3.54Å; M317-M377 HydrophobicContact SD-SD 3.6Å; M317-M377 VanDerWaalsContact SD-SD 3.6Å
378	L	96.2	Very high	94.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.8	169.1	-46	175.5	0	0	0	106.7	F202 I238 F255 L259 P268 L269 V270 C315 C316 L318	F202-L378 HydrophobicContact CD1-CD1 4.11Å; F202-L378 HydrophobicContact CD1-CD2 4.13Å; F202-L378 HydrophobicContact CE1-CB 4.49Å; F202-L378 HydrophobicContact CE1-CD1 3.47Å; F202-L378 VanDerWaalsContact CE1-CD1 3.47Å; F202-L378 HydrophobicContact CE1-CD2 4.35Å; F202-L378 HydrophobicContact CE1-CG 4.29Å; F202-L378 HydrophobicContact CZ-CD1 3.92Å; I238-L378 HydrophobicContact CD1-CD1 4.16Å; I238-L378 HydrophobicContact CD1-CD2 3.66Å; I238-L378 HydrophobicContact CG1-CD1 3.83Å; I238-L378 HydrophobicContact CG1-CD2 3.93Å; I238-L378 HydrophobicContact CG1-CG 4.36Å; F255-L378 HydrophobicContact CD1-CD1 3.81Å; F255-L378 HydrophobicContact CE1-CD1 3.52Å; F255-L378 HydrophobicContact CZ-CD1 4.32Å; L259-L378 HydrophobicContact CD1-CB 3.8Å; L259-L378 HydrophobicContact CD1-CD1 4.09Å; L259-L378 HydrophobicContact CD2-CB 4.43Å; L259-L378 WeakPolarHBondContact CD2-O 3.46Å; P268-L378 HydrophobicContact CB-CB 4.45Å; L269-L378 CarbonylContact O-C 3.5Å; L269-L378 WeakPolarHBondContact O-CA 3.37Å; V270-L378 HydrophobicContact CB-CD2 4.48Å; V270-L378 HydrophobicContact CG1-CD2 4.18Å; V270-L378 HydrophobicContact CG2-CD2 3.91Å; C315-L378 CarbonylContact C-O 3.58Å; C315-L378 WeakPolarHBondContact CA-O 3.27Å; C316-L378 HydrophobicContact CB-CB 4.29Å; C316-L378 PolarHBondContact N-O 3.3Å; C316-L378 PolarHBondContact O-N 2.76Å; L318-L378 HydrophobicContact CD1-CD1 4.05Å; L318-L378 HydrophobicContact CD1-CG 4.44Å
379	S	95.4	Very high	94.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.8	-174.9	58.6	0	0	0	0	111.3	P268 L269 A314	P268-S379 WeakPolarHBondContact CA-O 3.26Å; L269-S379 PolarHBondContact N-O 3.48Å; L269-S379 PolarHBondContact O-N 3.41Å; A314-S379 CarbonylContact O-C 3.58Å; A314-S379 VanDerWaalsContact O-CA 3.25Å; A314-S379 WeakPolarHBondContact O-CA 3.32Å
380	N	95	Very high	94.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.5	169.3	-160.5	-10.8	0	0	0	108.5	L259 P261 I265 M313 A314	L259-N380 VanDerWaalsContact O-CB 3.26Å; L259-N380 WeakPolarHBondContact O-CB 3.39Å; L259-N380 PolarHBondContact O-ND2 3.27Å; P261-N380 WeakPolarHBondContact CD-ND2 3.07Å; I265-N380 PolarHBondContact O-ND2 2.83Å; M313-N380 HydrophobicContact CE-CB 4.31Å; M313-N380 WeakPolarHBondContact CE-OD1 3.19Å; M313-N380 PolarHBondContact N-O 3.14Å; A314-N380 PolarHBondContact N-O 3.2Å; A314-N380 PolarHBondContact O-N 3.49Å
381	T	95.1	Very high	95	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.7	-174	176.2	0	0	0	0	110.6	L269 K311 A383 I384	L269-T381 HydrophobicContact CD1-CG2 3.32Å; L269-T381 HydrophobicContact CG-CG2 3.8Å; K311-T381 VanDerWaalsContact O-CA 3.24Å; K311-T381 WeakPolarHBondContact O-CA 3.32Å; K311-T381 WeakPolarHBondContact O-CB 3.04Å; K311-T381 PolarHBondContact O-OG1 3.02Å; T381-A383 HydrophobicContact CG2-CB 4.07Å; T381-A383 PolarHBondContact O-N 3.25Å; T381-A383 PolarHBondContact OG1-N 2.8Å; T381-I384 VanDerWaalsContact O-CG2 3.24Å; T381-I384 WeakPolarHBondContact O-CG2 3.47Å; T381-I384 PolarHBondContact O-N 3.1Å
382	T	95.4	Very high	95.1	Very high	16 Å²	16	20 Å²	20	10%	0.098	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-66.6	-13.9	176.1	62.8	0	0	0	0	113.2	G310 K311 M313 I384 A385 Y432 V435	G310-T382 WeakPolarHBondContact CA-OG1 3.45Å; K311-T382 PolarHBondContact N-OG1 3.42Å; K311-T382 PolarHBondContact O-N 2.74Å; M313-T382 HydrophobicContact CE-CG2 4.1Å; M313-T382 HydrophobicContact SD-CG2 4.38Å; T382-I384 PolarHBondContact O-N 2.91Å; T382-I384 VanDerWaalsContact O-N 3.14Å; T382-A385 VanDerWaalsContact O-CB 3.25Å; T382-A385 WeakPolarHBondContact O-CB 3.3Å; T382-A385 PolarHBondContact O-N 3.23Å; T382-Y432 HydrophobicContact CG2-CD1 4.47Å; T382-Y432 VanDerWaalsContact CG2-O 3.28Å; T382-Y432 WeakPolarHBondContact CG2-O 3.33Å; T382-V435 HydrophobicContact CG2-CG2 3.83Å
383	A	95.2	Very high	95.1	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.017	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-62	-19.9	175.8	0	0	0	0	0	113.6	C305 D306 T381 A385 E386	C305-A383 WeakPolarHBondContact CB-O 3.27Å; D306-A383 WeakPolarHBondContact O-CB 3.11Å; T381-A383 HydrophobicContact CG2-CB 4.07Å; T381-A383 PolarHBondContact O-N 3.25Å; T381-A383 PolarHBondContact OG1-N 2.8Å; A383-A385 PolarHBondContact O-N 3.24Å; A383-E386 WeakPolarHBondContact O-CB 3.22Å; A383-E386 PolarHBondContact O-N 3.07Å
384	I	95.2	Very high	95.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-62.2	-22.2	173.8	-169.8	65.9	0	0	0	112.3	L269 V303 T381 T382 E386 A387 W388 Y432	L269-I384 HydrophobicContact CD2-CB 4.36Å; L269-I384 HydrophobicContact CD2-CD1 3.54Å; L269-I384 HydrophobicContact CD2-CG1 4.35Å; V303-I384 HydrophobicContact CG1-CD1 4.24Å; T381-I384 VanDerWaalsContact O-CG2 3.24Å; T381-I384 WeakPolarHBondContact O-CG2 3.47Å; T381-I384 PolarHBondContact O-N 3.1Å; T382-I384 PolarHBondContact O-N 2.91Å; T382-I384 VanDerWaalsContact O-N 3.14Å; I384-E386 PolarHBondContact O-N 3.05Å; I384-E386 VanDerWaalsContact O-N 3.13Å; I384-A387 HydrophobicContact CD1-CB 3.86Å; I384-A387 WeakPolarHBondContact O-CA 3.24Å; I384-A387 VanDerWaalsContact O-CB 3.27Å; I384-A387 WeakPolarHBondContact O-CB 3.48Å; I384-A387 PolarHBondContact O-N 3.49Å; I384-W388 HydrophobicContact CD1-CZ2 4.16Å; I384-W388 HydrophobicContact CG1-CH2 4.37Å; I384-W388 HydrophobicContact CG1-CZ2 3.46Å; I384-W388 VanDerWaalsContact CG1-CZ2 3.46Å; I384-W388 PolarHBondContact O-N 3.36Å; I384-Y432 HydrophobicContact CG2-CD1 3.83Å; I384-Y432 HydrophobicContact CG2-CD2 4.23Å; I384-Y432 HydrophobicContact CG2-CE1 3.34Å; I384-Y432 HydrophobicContact CG2-CE2 3.84Å; I384-Y432 HydrophobicContact CG2-CG 4.25Å
385	A	94	Very high	95.1	Very high	27 Å²	27	19.8 Å²	19.8	22%	0.223	10%	0.103	C	C	.	.	H	α-helix	trans	-55.4	-30.3	174.4	0	0	0	0	0	112.9	T382 A383 A387 W388 A389	T382-A385 VanDerWaalsContact O-CB 3.25Å; T382-A385 WeakPolarHBondContact O-CB 3.3Å; T382-A385 PolarHBondContact O-N 3.23Å; A383-A385 PolarHBondContact O-N 3.24Å; A385-A387 PolarHBondContact O-N 2.92Å; A385-W388 PolarHBondContact O-N 3.06Å; A385-A389 WeakPolarHBondContact O-CB 3.42Å; A385-A389 PolarHBondContact O-N 2.95Å
386	E	93.2	Very high	95	Very high	58 Å²	58	22.9 Å²	22.9	27%	0.271	12%	0.119	S	C	.	.	H	α-helix	trans	-63.1	-31.2	173.4	-61.7	-169.6	148.7	0	0	113.1	C305 D306 H309 A383 I384 R390	C305-E386 WeakPolarHBondContact CA-OE2 3.45Å; D306-E386 PolarHBondContact N-OE2 2.98Å; H309-E386 WeakPolarHBondContact CB-OE1 3.4Å; H309-E386 IonicContact CE1-OE1 2.8Å; H309-E386 IonicContact CG-OE1 2.8Å; H309-E386 IonicContact ND1-OE1 3.92Å; H309-E386 PolarHBondContact ND1-OE1 3.05Å; A383-E386 WeakPolarHBondContact O-CB 3.22Å; A383-E386 PolarHBondContact O-N 3.07Å; I384-E386 PolarHBondContact O-N 3.05Å; I384-E386 VanDerWaalsContact O-N 3.13Å; E386-R390 VanDerWaalsContact O-CG 3.31Å; E386-R390 WeakPolarHBondContact O-CG 3.45Å; E386-R390 PolarHBondContact O-N 3.1Å; E386-R390 PolarHBondContact O-NH1 3.32Å; E386-R390 VanDerWaalsContact O-NH1 3.14Å
387	A	93.8	Very high	94.9	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-72.9	-42.8	178.2	0	0	0	0	0	110.9	Y172 I384 A385 R390 L391	Y172-A387 HydrophobicContact CD1-CB 4.45Å; Y172-A387 HydrophobicContact CE1-CB 3.93Å; I384-A387 HydrophobicContact CD1-CB 3.86Å; I384-A387 WeakPolarHBondContact O-CA 3.24Å; I384-A387 VanDerWaalsContact O-CB 3.27Å; I384-A387 WeakPolarHBondContact O-CB 3.48Å; I384-A387 PolarHBondContact O-N 3.49Å; A385-A387 PolarHBondContact O-N 2.92Å; A387-R390 PolarHBondContact O-N 3.49Å; A387-L391 PolarHBondContact O-N 3.43Å
388	W	94.7	Very high	94.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-51.5	174.1	-49.3	143	0	0	0	111.1	Y172 M203 F267 I384 A385 R390 L391 D392 L425 E429 Y432	Y172-W388 HydrophobicContact CD2-CZ3 4.24Å; Y172-W388 HydrophobicContact CE1-CE3 4.42Å; Y172-W388 HydrophobicContact CE1-CZ3 4.19Å; Y172-W388 HydrophobicContact CE2-CE3 4.1Å; Y172-W388 HydrophobicContact CE2-CH2 4.05Å; Y172-W388 AromaticContact CE2-CZ3 3.28Å; Y172-W388 HydrophobicContact CE2-CZ3 3.28Å; Y172-W388 AromaticContact CZ-CE3 3.59Å; Y172-W388 AromaticContact CZ-CZ3 3.24Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.38Å; M203-W388 HydrophobicContact CE-CH2 4.08Å; F267-W388 HydrophobicContact CB-CH2 4.42Å; F267-W388 HydrophobicContact CB-CZ2 3.88Å; F267-W388 AromaticContact CD1-CH2 3.81Å; F267-W388 HydrophobicContact CD1-CH2 3.81Å; F267-W388 HydrophobicContact CD1-CZ2 4.02Å; F267-W388 HydrophobicContact CD2-CH2 4.37Å; F267-W388 AromaticContact CD2-CZ2 3.86Å; F267-W388 HydrophobicContact CD2-CZ2 3.86Å; F267-W388 HydrophobicContact CE1-CH2 4.12Å; F267-W388 HydrophobicContact CE2-CZ2 4.4Å; F267-W388 AromaticContact CG-CH2 3.94Å; F267-W388 HydrophobicContact CG-CH2 3.94Å; F267-W388 AromaticContact CG-CZ2 3.64Å; F267-W388 HydrophobicContact CG-CZ2 3.64Å; I384-W388 HydrophobicContact CD1-CZ2 4.16Å; I384-W388 HydrophobicContact CG1-CH2 4.37Å; I384-W388 HydrophobicContact CG1-CZ2 3.46Å; I384-W388 VanDerWaalsContact CG1-CZ2 3.46Å; I384-W388 PolarHBondContact O-N 3.36Å; A385-W388 PolarHBondContact O-N 3.06Å; W388-R390 PolarHBondContact O-N 3.18Å; W388-R390 VanDerWaalsContact O-N 3.1Å; W388-L391 WeakPolarHBondContact O-CA 3.47Å; W388-L391 WeakPolarHBondContact O-CB 3.21Å; W388-L391 PolarHBondContact O-N 3.17Å; W388-D392 PolarHBondContact O-N 2.87Å; W388-L425 HydrophobicContact CB-CD1 4.32Å; W388-L425 HydrophobicContact CD2-CD1 4.18Å; W388-L425 HydrophobicContact CE3-CD1 4.01Å; W388-L425 HydrophobicContact CG-CD1 4.26Å; W388-E429 HydrophobicContact CB-CG 3.56Å; W388-E429 WeakPolarHBondContact CB-OE1 3.43Å; W388-E429 HydrophobicContact CG-CG 4.27Å; W388-Y432 AromaticContact NE1-CD2 3.74Å; W388-Y432 AromaticContact NE1-CE2 3.46Å
389	A	94.2	Very high	94.9	Very high	47 Å²	47	31 Å²	31	39%	0.388	16%	0.159	S	C	.	.	H	α-helix	trans	-60.3	-33.2	-176.1	0	0	0	0	0	112.9	A385 H393 E429	A385-A389 WeakPolarHBondContact O-CB 3.42Å; A385-A389 PolarHBondContact O-N 2.95Å; A389-H393 WeakPolarHBondContact O-CB 3.45Å; A389-H393 PolarHBondContact O-N 3.05Å; A389-E429 WeakPolarHBondContact CA-OE1 3.47Å; A389-E429 PolarHBondContact N-OE1 3.32Å
390	R	93.1	Very high	95	Very high	74 Å²	74	35.3 Å²	35.3	28%	0.279	19%	0.194	S	C	.	.	H	α-helix	trans	-71.8	-38.5	174.2	-71.9	-173.8	-46.8	-103.5	5.9	112.5	K304 E386 A387 W388 K394	K304-R390 VanDerWaalsContact O-CZ 3.23Å; K304-R390 PolarHBondContact O-NH1 2.67Å; K304-R390 PolarHBondContact O-NH2 3.13Å; E386-R390 VanDerWaalsContact O-CG 3.31Å; E386-R390 WeakPolarHBondContact O-CG 3.45Å; E386-R390 PolarHBondContact O-N 3.1Å; E386-R390 PolarHBondContact O-NH1 3.32Å; E386-R390 VanDerWaalsContact O-NH1 3.14Å; A387-R390 PolarHBondContact O-N 3.49Å; W388-R390 PolarHBondContact O-N 3.18Å; W388-R390 VanDerWaalsContact O-N 3.1Å; R390-K394 WeakPolarHBondContact O-CG 3.12Å; R390-K394 PolarHBondContact O-N 3.32Å
391	L	93.7	Very high	95	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-48.1	176.4	-178.8	63.4	0	0	0	110	Y172 P173 P184 I188 A387 W388 H393 K394 F395 L425	Y172-L391 HydrophobicContact CE2-CD2 4.41Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.36Å; P173-L391 HydrophobicContact CG-CD1 4.39Å; P184-L391 HydrophobicContact CB-CD1 4.03Å; I188-L391 HydrophobicContact CD1-CD2 4.49Å; I188-L391 HydrophobicContact CD1-CG 4.25Å; I188-L391 HydrophobicContact CG1-CD2 3.58Å; I188-L391 HydrophobicContact CG1-CG 3.75Å; A387-L391 PolarHBondContact O-N 3.43Å; W388-L391 WeakPolarHBondContact O-CA 3.47Å; W388-L391 WeakPolarHBondContact O-CB 3.21Å; W388-L391 PolarHBondContact O-N 3.17Å; L391-H393 PolarHBondContact O-N 2.89Å; L391-K394 PolarHBondContact O-N 3.04Å; L391-K394 VanDerWaalsContact O-N 3.13Å; L391-F395 PolarHBondContact O-N 2.82Å; L391-L425 HydrophobicContact CD2-CD2 4.02Å
392	D	94.9	Very high	95.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-53.5	-50.1	175.4	-88.7	3.3	0	0	0	112.1	W388 K394 F395 D396 R422 L425	W388-D392 PolarHBondContact O-N 2.87Å; D392-K394 VanDerWaalsContact C-N 3.32Å; D392-K394 PolarHBondContact O-N 3.17Å; D392-F395 WeakPolarHBondContact O-CB 3.25Å; D392-F395 PolarHBondContact O-N 2.88Å; D392-D396 WeakPolarHBondContact O-CB 3.28Å; D392-D396 PolarHBondContact O-N 3.34Å; D392-R422 VanDerWaalsContact CG-NH2 3.33Å; D392-R422 IonicContact OD1-CZ 3.84Å; D392-R422 IonicContact OD1-NE 3.97Å; D392-R422 IonicContact OD1-NH1 3.95Å; D392-R422 PolarHBondContact OD1-NH1 3.19Å; D392-R422 IonicContact OD2-CZ 3.05Å; D392-R422 IonicContact OD2-NE 2.73Å; D392-R422 IonicContact OD2-NH1 2.69Å; D392-R422 PolarHBondContact OD2-NH1 3.29Å; D392-R422 IonicContact OD2-NH2 3.9Å; D392-R422 PolarHBondContact OD2-NH2 2.63Å; D392-L425 VanDerWaalsContact OD1-CD2 3.22Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.28Å
393	H	94.9	Very high	95.1	Very high	117 Å²	117	51.1 Å²	51.1	54%	0.542	26%	0.262	S	S	.	.	H	α-helix	trans	-58.2	-43.4	177.7	-178	64	0	0	0	112.7	A389 L391 L397	A389-H393 WeakPolarHBondContact O-CB 3.45Å; A389-H393 PolarHBondContact O-N 3.05Å; L391-H393 PolarHBondContact O-N 2.89Å; H393-L397 WeakPolarHBondContact NE2-CD1 3.43Å; H393-L397 VanDerWaalsContact O-CG 3.28Å; H393-L397 WeakPolarHBondContact O-CG 3.23Å; H393-L397 PolarHBondContact O-N 3.37Å
394	K	94.3	Very high	95.2	Very high	61 Å²	61	53.8 Å²	53.8	27%	0.265	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-43	177.6	-71.3	177.4	178.5	-177.2	0	111.1	A174 P175 P184 R390 L391 D392 M398	A174-K394 PolarHBondContact O-NZ 3.02Å; A174-K394 VanDerWaalsContact O-NZ 3.12Å; P175-K394 PolarHBondContact O-NZ 2.82Å; P184-K394 HydrophobicContact CB-CB 4.05Å; P184-K394 HydrophobicContact CG-CB 3.74Å; P184-K394 HydrophobicContact CG-CD 4.32Å; R390-K394 WeakPolarHBondContact O-CG 3.12Å; R390-K394 PolarHBondContact O-N 3.32Å; L391-K394 PolarHBondContact O-N 3.04Å; L391-K394 VanDerWaalsContact O-N 3.13Å; D392-K394 VanDerWaalsContact C-N 3.32Å; D392-K394 PolarHBondContact O-N 3.17Å; K394-M398 WeakPolarHBondContact O-CG 3.21Å; K394-M398 PolarHBondContact O-N 3.46Å
395	F	96	Very high	95.3	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-52.5	176.2	177.6	-82	0	0	0	111.2	P184 Y185 I188 L391 D392 L397 M398 Y399 F418 R422	P184-F395 HydrophobicContact CB-CB 4.41Å; Y185-F395 AromaticContact CD1-CD2 3.37Å; Y185-F395 HydrophobicContact CD1-CD2 3.37Å; Y185-F395 AromaticContact CD1-CE2 3.48Å; Y185-F395 HydrophobicContact CD1-CE2 3.48Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.48Å; Y185-F395 HydrophobicContact CD1-CG 4.24Å; Y185-F395 HydrophobicContact CD1-CZ 4.4Å; Y185-F395 AromaticContact CE1-CD2 3.81Å; Y185-F395 HydrophobicContact CE1-CD2 3.81Å; Y185-F395 AromaticContact CE1-CE2 3.85Å; Y185-F395 HydrophobicContact CE1-CE2 3.85Å; Y185-F395 HydrophobicContact CE1-CG 4.31Å; Y185-F395 HydrophobicContact CE1-CZ 4.38Å; Y185-F395 HydrophobicContact CG-CE2 4.5Å; I188-F395 HydrophobicContact CB-CD2 4.09Å; I188-F395 HydrophobicContact CB-CE2 4.31Å; I188-F395 HydrophobicContact CD1-CB 3.46Å; I188-F395 VanDerWaalsContact CD1-CB 3.46Å; I188-F395 HydrophobicContact CD1-CD1 4.2Å; I188-F395 HydrophobicContact CD1-CD2 3.45Å; I188-F395 VanDerWaalsContact CD1-CD2 3.45Å; I188-F395 HydrophobicContact CD1-CE2 4.2Å; I188-F395 HydrophobicContact CD1-CG 3.46Å; I188-F395 VanDerWaalsContact CD1-CG 3.46Å; I188-F395 HydrophobicContact CG1-CB 4.42Å; I188-F395 HydrophobicContact CG1-CD2 3.98Å; I188-F395 HydrophobicContact CG1-CG 4.43Å; I188-F395 HydrophobicContact CG2-CD2 4.41Å; I188-F395 HydrophobicContact CG2-CE2 4.27Å; L391-F395 PolarHBondContact O-N 2.82Å; D392-F395 WeakPolarHBondContact O-CB 3.25Å; D392-F395 PolarHBondContact O-N 2.88Å; F395-L397 VanDerWaalsContact C-N 3.3Å; F395-L397 PolarHBondContact O-N 2.81Å; F395-M398 WeakPolarHBondContact O-CB 3.09Å; F395-M398 PolarHBondContact O-N 3.2Å; F395-Y399 HydrophobicContact CE1-CD1 4.13Å; F395-Y399 AromaticContact CE1-CG 3.95Å; F395-Y399 HydrophobicContact CE1-CG 3.95Å; F395-Y399 HydrophobicContact CZ-CD2 4.44Å; F395-Y399 HydrophobicContact CZ-CG 4.24Å; F395-Y399 WeakPolarHBondContact O-CB 3.22Å; F395-Y399 PolarHBondContact O-N 2.85Å; F395-F418 AromaticContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CZ-CB 4.13Å; F395-F418 HydrophobicContact CZ-CD1 4.01Å; F395-F418 WeakPolarHBondContact CZ-O 3.3Å; F395-R422 HydrophobicContact CD1-CB 4.35Å; F395-R422 HydrophobicContact CD1-CG 4.04Å; F395-R422 HydrophobicContact CE1-CB 3.71Å; F395-R422 HydrophobicContact CE1-CG 3.74Å; F395-R422 HydrophobicContact CZ-CB 3.97Å; F395-R422 HydrophobicContact CZ-CG 4.49Å
396	D	97.2	Very high	95.4	Very high	64 Å²	64	58.7 Å²	58.7	34%	0.342	29%	0.292	S	S	.	.	H	α-helix	trans	-60.5	-41.6	-175.3	-69.6	-22.8	0	0	0	111.2	D392 M398 Y399 A400 R422	D392-D396 WeakPolarHBondContact O-CB 3.28Å; D392-D396 PolarHBondContact O-N 3.34Å; D396-M398 VanDerWaalsContact C-N 3.31Å; D396-M398 PolarHBondContact O-N 3.02Å; D396-Y399 PolarHBondContact O-N 2.9Å; D396-A400 WeakPolarHBondContact O-CB 3.48Å; D396-A400 PolarHBondContact O-N 3.49Å; D396-R422 IonicContact OD1-CZ 3.73Å; D396-R422 IonicContact OD1-NE 3.43Å; D396-R422 PolarHBondContact OD1-NE 3.1Å; D396-R422 IonicContact OD1-NH2 3.86Å; D396-R422 IonicContact OD2-CZ 2.63Å; D396-R422 IonicContact OD2-NE 2.73Å; D396-R422 PolarHBondContact OD2-NE 3.25Å; D396-R422 IonicContact OD2-NH2 2.82Å; D396-R422 PolarHBondContact OD2-NH2 3.23Å
397	L	95.4	Very high	95.5	Very high	93 Å²	93	61.6 Å²	61.6	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-60.9	-38.3	175.3	-75.4	177.4	0	0	0	113.1	H393 F395	H393-L397 WeakPolarHBondContact NE2-CD1 3.43Å; H393-L397 VanDerWaalsContact O-CG 3.28Å; H393-L397 WeakPolarHBondContact O-CG 3.23Å; H393-L397 PolarHBondContact O-N 3.37Å; F395-L397 VanDerWaalsContact C-N 3.3Å; F395-L397 PolarHBondContact O-N 2.81Å
398	M	95.4	Very high	95.8	Very high	27 Å²	27	61.5 Å²	61.5	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-75.2	-46.4	178.5	-69.7	-178.7	61.3	0	0	111.4	V181 V182 P184 Y185 K394 F395 D396 K401 R402 A403 F404	V181-M398 VanDerWaalsContact O-CE 3.27Å; V181-M398 WeakPolarHBondContact O-CE 3.36Å; V182-M398 HydrophobicContact CG1-CE 4.48Å; P184-M398 HydrophobicContact CB-SD 4.2Å; P184-M398 HydrophobicContact CG-SD 3.83Å; Y185-M398 HydrophobicContact CD2-CE 4.45Å; Y185-M398 HydrophobicContact CE1-CB 3.9Å; Y185-M398 HydrophobicContact CE2-CE 4.2Å; Y185-M398 PolarHBondContact OH-O 3.25Å; K394-M398 WeakPolarHBondContact O-CG 3.21Å; K394-M398 PolarHBondContact O-N 3.46Å; F395-M398 WeakPolarHBondContact O-CB 3.09Å; F395-M398 PolarHBondContact O-N 3.2Å; D396-M398 VanDerWaalsContact C-N 3.31Å; D396-M398 PolarHBondContact O-N 3.02Å; M398-K401 PolarHBondContact O-N 3.4Å; M398-R402 PolarHBondContact O-N 3.23Å; M398-A403 PolarHBondContact O-N 2.7Å; M398-F404 HydrophobicContact CE-CD2 3.81Å; M398-F404 HydrophobicContact CE-CE2 4.35Å
399	Y	96.8	Very high	95.9	Very high	52 Å²	52	64.3 Å²	64.3	20%	0.204	32%	0.317	C	S	.	.	H	α-helix	trans	-69.7	-38	-174.8	-168.4	-117.4	0	0	0	112.2	Y185 F395 D396 K401 R402 V405 F418 S419	Y185-Y399 VanDerWaalsContact OH-CA 3.27Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.5Å; Y185-Y399 PolarHBondContact OH-N 3.12Å; F395-Y399 HydrophobicContact CE1-CD1 4.13Å; F395-Y399 AromaticContact CE1-CG 3.95Å; F395-Y399 HydrophobicContact CE1-CG 3.95Å; F395-Y399 HydrophobicContact CZ-CD2 4.44Å; F395-Y399 HydrophobicContact CZ-CG 4.24Å; F395-Y399 WeakPolarHBondContact O-CB 3.22Å; F395-Y399 PolarHBondContact O-N 2.85Å; D396-Y399 PolarHBondContact O-N 2.9Å; Y399-K401 PolarHBondContact O-N 2.99Å; Y399-K401 VanDerWaalsContact O-N 3.1Å; Y399-R402 WeakPolarHBondContact O-CA 3.27Å; Y399-R402 PolarHBondContact O-N 2.94Å; Y399-V405 HydrophobicContact CD2-CG2 3.83Å; Y399-V405 HydrophobicContact CE2-CG2 4.04Å; Y399-F418 HydrophobicContact CD2-CB 4.31Å; Y399-F418 HydrophobicContact CD2-CG 4.42Å; Y399-F418 HydrophobicContact CE2-CB 3.66Å; Y399-F418 HydrophobicContact CE2-CD2 4.28Å; Y399-F418 AromaticContact CE2-CG 3.96Å; Y399-F418 HydrophobicContact CE2-CG 3.96Å; Y399-S419 PolarHBondContact OH-OG 3.42Å
400	A	96.7	Very high	96	Very high	89 Å²	89	65.2 Å²	65.2	74%	0.736	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28	173.2	0	0	0	0	0	113	D396	D396-A400 WeakPolarHBondContact O-CB 3.48Å; D396-A400 PolarHBondContact O-N 3.49Å
401	K	96.6	Very high	96.2	Very high	172 Å²	172	63.7 Å²	63.7	75%	0.748	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	0	175.7	-65.6	-179.5	-177.2	173.5	0	113.3	M398 Y399 A403	M398-K401 PolarHBondContact O-N 3.4Å; Y399-K401 PolarHBondContact O-N 2.99Å; Y399-K401 VanDerWaalsContact O-N 3.1Å; K401-A403 HydrophobicContact CB-CB 4.46Å; K401-A403 PolarHBondContact O-N 3.18Å; K401-A403 VanDerWaalsContact O-N 3.12Å
402	R	96	Very high	96.2	Very high	148 Å²	148	66.2 Å²	66.2	56%	0.558	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	30.5	-169.4	-57.1	-178.4	62.9	130.3	7.1	112.3	M398 Y399 F404 V405 E415	M398-R402 PolarHBondContact O-N 3.23Å; Y399-R402 WeakPolarHBondContact O-CA 3.27Å; Y399-R402 PolarHBondContact O-N 2.94Å; R402-F404 PolarHBondContact O-N 3.21Å; R402-V405 HydrophobicContact CB-CG2 4.34Å; R402-E415 IonicContact CZ-OE1 3.91Å; R402-E415 IonicContact CZ-OE2 3.21Å; R402-E415 IonicContact NE-OE1 3.98Å; R402-E415 IonicContact NH1-OE1 3.4Å; R402-E415 PolarHBondContact NH1-OE1 3.43Å; R402-E415 IonicContact NH2-OE1 2.67Å; R402-E415 PolarHBondContact NH2-OE1 3.42Å; R402-E415 IonicContact NH2-OE2 3.79Å; R402-E415 PolarHBondContact NH2-OE2 3.07Å
403	A	96.3	Very high	96.4	Very high	29 Å²	29	66.2 Å²	66.2	24%	0.24	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	128.7	-178.3	0	0	0	0	0	108.6	Y185 M398 K401 V405	Y185-A403 WeakPolarHBondContact CE2-O 3.4Å; Y185-A403 PolarHBondContact OH-O 3.1Å; M398-A403 PolarHBondContact O-N 2.7Å; K401-A403 HydrophobicContact CB-CB 4.46Å; K401-A403 PolarHBondContact O-N 3.18Å; K401-A403 VanDerWaalsContact O-N 3.12Å; A403-V405 PolarHBondContact O-N 2.54Å
404	F	96.3	Very high	96.5	Very high	59 Å²	59	67.6 Å²	67.6	26%	0.259	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-2.2	178.8	-49.1	-77.5	0	0	0	117.3	V181 V182 Y185 M398 R402 H406 W407	V181-F404 HydrophobicContact CB-CE2 4.4Å; V181-F404 HydrophobicContact CB-CZ 4.47Å; V181-F404 HydrophobicContact CG1-CD2 4.38Å; V181-F404 HydrophobicContact CG1-CE2 3.51Å; V181-F404 HydrophobicContact CG1-CZ 3.85Å; V182-F404 HydrophobicContact CG1-CB 3.65Å; V182-F404 HydrophobicContact CG1-CD1 4.23Å; V182-F404 HydrophobicContact CG1-CD2 3.91Å; V182-F404 HydrophobicContact CG1-CG 3.66Å; Y185-F404 HydrophobicContact CE2-CB 4.43Å; M398-F404 HydrophobicContact CE-CD2 3.81Å; M398-F404 HydrophobicContact CE-CE2 4.35Å; R402-F404 PolarHBondContact O-N 3.21Å; F404-H406 PolarHBondContact O-N 3Å; F404-H406 VanDerWaalsContact O-N 3.15Å; F404-W407 HydrophobicContact CB-CD2 4.32Å; F404-W407 HydrophobicContact CB-CE3 4.37Å; F404-W407 AromaticContact CD1-CD2 3.82Å; F404-W407 HydrophobicContact CD1-CD2 3.82Å; F404-W407 AromaticContact CD1-CE2 3.72Å; F404-W407 AromaticContact CD1-CE3 3.76Å; F404-W407 HydrophobicContact CD1-CE3 3.76Å; F404-W407 AromaticContact CD1-CH2 3.58Å; F404-W407 HydrophobicContact CD1-CH2 3.58Å; F404-W407 AromaticContact CD1-CZ2 3.61Å; F404-W407 HydrophobicContact CD1-CZ2 3.61Å; F404-W407 AromaticContact CD1-CZ3 3.65Å; F404-W407 HydrophobicContact CD1-CZ3 3.65Å; F404-W407 AromaticContact CE1-CH2 3.61Å; F404-W407 HydrophobicContact CE1-CH2 3.61Å; F404-W407 AromaticContact CE1-CZ2 3.8Å; F404-W407 HydrophobicContact CE1-CZ2 3.8Å; F404-W407 HydrophobicContact CE1-CZ3 4.02Å; F404-W407 HydrophobicContact CG-CE3 4.45Å; F404-W407 VanDerWaalsContact O-CB 3.26Å; F404-W407 WeakPolarHBondContact O-CB 3.46Å; F404-W407 PolarHBondContact O-N 3.01Å
405	V	96.8	Very high	96.5	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-53.3	-40.7	-179.7	174.6	0	0	0	0	112	Y185 Y399 R402 A403 W407 Y408 V409 E415 F418	Y185-V405 HydrophobicContact CE2-CG2 4.18Å; Y399-V405 HydrophobicContact CD2-CG2 3.83Å; Y399-V405 HydrophobicContact CE2-CG2 4.04Å; R402-V405 HydrophobicContact CB-CG2 4.34Å; A403-V405 PolarHBondContact O-N 2.54Å; V405-W407 PolarHBondContact O-N 3.48Å; V405-W407 VanDerWaalsContact O-N 3.16Å; V405-Y408 PolarHBondContact O-N 3.3Å; V405-V409 HydrophobicContact CG1-CG2 4.11Å; V405-V409 PolarHBondContact O-N 3.31Å; V405-V409 VanDerWaalsContact O-N 3.1Å; V405-E415 HydrophobicContact CG1-CG 4.13Å; V405-F418 HydrophobicContact CG1-CD2 4.35Å; V405-F418 HydrophobicContact CG1-CE2 4Å
406	H	96.7	Very high	96.5	Very high	126 Å²	126	69.4 Å²	69.4	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-62.5	-19.8	177.5	66.5	-75.1	0	0	0	114.4	F404 Y408 G410	F404-H406 PolarHBondContact O-N 3Å; F404-H406 VanDerWaalsContact O-N 3.15Å; H406-Y408 VanDerWaalsContact C-N 3.33Å; H406-G410 PolarHBondContact O-N 2.58Å
407	W	96.6	Very high	96.6	Very high	119 Å²	119	68.1 Å²	68.1	45%	0.451	37%	0.371	S	S	.	.	H	α-helix	trans	-72.2	-30.1	173.5	-65.1	3.1	0	0	0	111.8	N102 V182 F404 V405 E411	N102-W407 PolarHBondContact ND2-O 3Å; V182-W407 HydrophobicContact CG1-CE3 4.45Å; F404-W407 HydrophobicContact CB-CD2 4.32Å; F404-W407 HydrophobicContact CB-CE3 4.37Å; F404-W407 AromaticContact CD1-CD2 3.82Å; F404-W407 HydrophobicContact CD1-CD2 3.82Å; F404-W407 AromaticContact CD1-CE2 3.72Å; F404-W407 AromaticContact CD1-CE3 3.76Å; F404-W407 HydrophobicContact CD1-CE3 3.76Å; F404-W407 AromaticContact CD1-CH2 3.58Å; F404-W407 HydrophobicContact CD1-CH2 3.58Å; F404-W407 AromaticContact CD1-CZ2 3.61Å; F404-W407 HydrophobicContact CD1-CZ2 3.61Å; F404-W407 AromaticContact CD1-CZ3 3.65Å; F404-W407 HydrophobicContact CD1-CZ3 3.65Å; F404-W407 AromaticContact CE1-CH2 3.61Å; F404-W407 HydrophobicContact CE1-CH2 3.61Å; F404-W407 AromaticContact CE1-CZ2 3.8Å; F404-W407 HydrophobicContact CE1-CZ2 3.8Å; F404-W407 HydrophobicContact CE1-CZ3 4.02Å; F404-W407 HydrophobicContact CG-CE3 4.45Å; F404-W407 VanDerWaalsContact O-CB 3.26Å; F404-W407 WeakPolarHBondContact O-CB 3.46Å; F404-W407 PolarHBondContact O-N 3.01Å; V405-W407 PolarHBondContact O-N 3.48Å; V405-W407 VanDerWaalsContact O-N 3.16Å; W407-E411 WeakPolarHBondContact O-CG 3.5Å
408	Y	98.3	Very high	96.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-84.9	-47.4	179.9	-69.6	-114	0	0	0	110.1	N102 A104 V182 Y185 N186 L189 V405 H406 G410 E411 M413 F418	N102-Y408 WeakPolarHBondContact OD1-CD1 3.13Å; A104-Y408 HydrophobicContact CB-CD1 3.94Å; A104-Y408 HydrophobicContact CB-CG 4.28Å; V182-Y408 HydrophobicContact CB-CE2 4.25Å; V182-Y408 VanDerWaalsContact CB-OH 3.27Å; V182-Y408 WeakPolarHBondContact CB-OH 3.46Å; V182-Y408 HydrophobicContact CG1-CE2 4.36Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.16Å; V182-Y408 PolarHBondContact O-OH 2.86Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.21Å; Y185-Y408 HydrophobicContact CD2-CD2 4.27Å; Y185-Y408 AromaticContact CD2-CE2 3.7Å; Y185-Y408 HydrophobicContact CD2-CE2 3.7Å; Y185-Y408 AromaticContact CD2-CZ 3.96Å; N186-Y408 PolarHBondContact OD1-OH 2.66Å; L189-Y408 HydrophobicContact CD1-CD1 3.88Å; L189-Y408 HydrophobicContact CD1-CE1 3.79Å; V405-Y408 PolarHBondContact O-N 3.3Å; H406-Y408 VanDerWaalsContact C-N 3.33Å; Y408-G410 PolarHBondContact O-N 2.97Å; Y408-E411 PolarHBondContact O-N 3.2Å; Y408-M413 HydrophobicContact CD1-SD 3.84Å; Y408-M413 HydrophobicContact CG-SD 4.34Å; Y408-M413 WeakPolarHBondContact O-CB 3.46Å; Y408-M413 PolarHBondContact O-N 2.99Å; Y408-F418 HydrophobicContact CD1-CE1 4.27Å; Y408-F418 AromaticContact CD1-CZ 3.71Å; Y408-F418 HydrophobicContact CD1-CZ 3.71Å; Y408-F418 AromaticContact CD2-CZ 3.91Å; Y408-F418 HydrophobicContact CD2-CZ 3.91Å; Y408-F418 HydrophobicContact CE1-CZ 4.35Å; Y408-F418 HydrophobicContact CG-CE1 4.38Å; Y408-F418 HydrophobicContact CG-CE2 4.23Å; Y408-F418 AromaticContact CG-CZ 3.47Å; Y408-F418 HydrophobicContact CG-CZ 3.47Å; Y408-F418 VanDerWaalsContact CG-CZ 3.47Å
409	V	97.4	Very high	96.7	Very high	59 Å²	59	64.5 Å²	64.5	36%	0.358	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-34.8	176.1	179.4	0	0	0	0	111.7	V405 E411 G412 M413 E415	V405-V409 HydrophobicContact CG1-CG2 4.11Å; V405-V409 PolarHBondContact O-N 3.31Å; V405-V409 VanDerWaalsContact O-N 3.1Å; V409-E411 PolarHBondContact O-N 3.41Å; V409-G412 PolarHBondContact O-N 2.86Å; V409-M413 WeakPolarHBondContact CA-O 3.42Å; V409-E415 HydrophobicContact CG2-CB 4.06Å
410	G	96.5	Very high	96.8	Very high	66 Å²	66	67.5 Å²	67.5	68%	0.68	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.4	174.8	0	0	0	0	0	114.4	H406 Y408 G412	H406-G410 PolarHBondContact O-N 2.58Å; Y408-G410 PolarHBondContact O-N 2.97Å; G410-G412 VanDerWaalsContact C-N 3.34Å
411	E	96.5	Very high	96.8	Very high	43 Å²	43	63.2 Å²	63.2	20%	0.201	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	5.1	175.6	-62.1	-73	164.7	0	0	112	A104 R105 T109 W407 Y408 V409	A104-E411 HydrophobicContact CB-CB 3.84Å; A104-E411 HydrophobicContact CB-CG 4.49Å; R105-E411 HydrophobicContact CB-CG 4.06Å; R105-E411 IonicContact NH1-OE1 2.63Å; R105-E411 PolarHBondContact NH1-OE1 3.22Å; T109-E411 WeakPolarHBondContact CB-OE2 3.34Å; T109-E411 HydrophobicContact CG2-CB 4.16Å; T109-E411 WeakPolarHBondContact CG2-O 3.49Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.4Å; T109-E411 PolarHBondContact OG1-OE2 3.36Å; W407-E411 WeakPolarHBondContact O-CG 3.5Å; Y408-E411 PolarHBondContact O-N 3.2Å; V409-E411 PolarHBondContact O-N 3.41Å
412	G	95.1	Very high	96.9	Very high	59 Å²	59	57.3 Å²	57.3	61%	0.608	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	4	174.7	0	0	0	0	0	115.6	V409 G410	V409-G412 PolarHBondContact O-N 2.86Å; G410-G412 VanDerWaalsContact C-N 3.34Å
413	M	97.6	Very high	96.9	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	32%	0.315	C	S	.	.			trans	-69.7	140.3	170.4	-176	-176	148.5	0	0	110.6	A104 Y108 L189 Y408 V409 E417 F418	A104-M413 HydrophobicContact CB-CB 3.9Å; A104-M413 HydrophobicContact CB-SD 4.11Å; Y108-M413 HydrophobicContact CD2-CB 3.82Å; Y108-M413 HydrophobicContact CD2-CG 4.34Å; Y108-M413 HydrophobicContact CE2-CB 3.64Å; Y108-M413 HydrophobicContact CE2-CG 3.66Å; Y108-M413 HydrophobicContact CE2-SD 4.39Å; L189-M413 HydrophobicContact CD1-CE 3.73Å; L189-M413 HydrophobicContact CD1-SD 3.92Å; L189-M413 HydrophobicContact CD2-CE 3.48Å; L189-M413 VanDerWaalsContact CD2-CE 3.48Å; L189-M413 HydrophobicContact CD2-SD 4.44Å; L189-M413 HydrophobicContact CG-CE 4.26Å; Y408-M413 HydrophobicContact CD1-SD 3.84Å; Y408-M413 HydrophobicContact CG-SD 4.34Å; Y408-M413 WeakPolarHBondContact O-CB 3.46Å; Y408-M413 PolarHBondContact O-N 2.99Å; V409-M413 WeakPolarHBondContact CA-O 3.42Å; M413-E417 HydrophobicContact CE-CB 3.68Å; M413-E417 HydrophobicContact CG-CB 4.4Å; M413-E417 WeakPolarHBondContact CG-OE1 3.19Å; M413-E417 WeakPolarHBondContact CG-OE2 3.37Å; M413-F418 HydrophobicContact CE-CD1 4.1Å; M413-F418 HydrophobicContact CE-CD2 3.47Å; M413-F418 VanDerWaalsContact CE-CD2 3.47Å; M413-F418 HydrophobicContact CE-CE1 4.05Å; M413-F418 HydrophobicContact CE-CE2 3.41Å; M413-F418 VanDerWaalsContact CE-CE2 3.41Å; M413-F418 HydrophobicContact CE-CG 3.83Å; M413-F418 HydrophobicContact CE-CZ 3.73Å; M413-F418 HydrophobicContact SD-CE2 4.21Å; M413-F418 HydrophobicContact SD-CZ 4.33Å
414	E	97	Very high	97	Very high	146 Å²	146	57 Å²	57	68%	0.682	31%	0.311	S	S	*	.			trans	-78.4	138.9	175.7	-62.8	-169.9	177.6	0	0	110.7	G416 E417	E414-G416 PolarHBondContact O-N 3.43Å; E414-E417 HydrophobicContact CB-CG 4.26Å; E414-E417 PolarHBondContact N-OE1 3.31Å; E414-E417 WeakPolarHBondContact O-CB 3.48Å; E414-E417 PolarHBondContact O-N 3.17Å
415	E	95.1	Very high	96.9	Very high	66 Å²	66	54.3 Å²	54.3	31%	0.308	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.1	-179.5	-172.6	172.3	174.4	0	0	112.1	R402 V405 V409 E417 F418	R402-E415 IonicContact CZ-OE1 3.91Å; R402-E415 IonicContact CZ-OE2 3.21Å; R402-E415 IonicContact NE-OE1 3.98Å; R402-E415 IonicContact NH1-OE1 3.4Å; R402-E415 PolarHBondContact NH1-OE1 3.43Å; R402-E415 IonicContact NH2-OE1 2.67Å; R402-E415 PolarHBondContact NH2-OE1 3.42Å; R402-E415 IonicContact NH2-OE2 3.79Å; R402-E415 PolarHBondContact NH2-OE2 3.07Å; V405-E415 HydrophobicContact CG1-CG 4.13Å; V409-E415 HydrophobicContact CG2-CB 4.06Å; E415-E417 VanDerWaalsContact C-N 3.27Å; E415-E417 PolarHBondContact O-N 3.48Å; E415-F418 PolarHBondContact O-N 3.16Å
416	G	96.6	Very high	96.9	Very high	35 Å²	35	56 Å²	56	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-31.5	177.6	0	0	0	0	0	113.9	E414 F418 S419 E420	E414-G416 PolarHBondContact O-N 3.43Å; G416-F418 PolarHBondContact O-N 2.87Å; G416-S419 WeakPolarHBondContact O-CB 3.38Å; G416-S419 PolarHBondContact O-N 3.17Å; G416-E420 PolarHBondContact O-N 3.38Å
417	E	97.9	Very high	96.8	Very high	36 Å²	36	52 Å²	52	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-30	-179.6	-65.2	176.8	-126.9	0	0	112.5	Y108 M413 E414 E415 S419 A421	Y108-E417 VanDerWaalsContact OH-CD 3.22Å; Y108-E417 PolarHBondContact OH-OE1 3.05Å; Y108-E417 PolarHBondContact OH-OE2 2.95Å; M413-E417 HydrophobicContact CE-CB 3.68Å; M413-E417 HydrophobicContact CG-CB 4.4Å; M413-E417 WeakPolarHBondContact CG-OE1 3.19Å; M413-E417 WeakPolarHBondContact CG-OE2 3.37Å; E414-E417 HydrophobicContact CB-CG 4.26Å; E414-E417 PolarHBondContact N-OE1 3.31Å; E414-E417 WeakPolarHBondContact O-CB 3.48Å; E414-E417 PolarHBondContact O-N 3.17Å; E415-E417 VanDerWaalsContact C-N 3.27Å; E415-E417 PolarHBondContact O-N 3.48Å; E417-S419 VanDerWaalsContact C-N 3.34Å; E417-A421 WeakPolarHBondContact O-CB 3.47Å; E417-A421 PolarHBondContact O-N 3.08Å
418	F	97.9	Very high	96.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-44.5	173.4	-79.7	-73.3	0	0	0	111.9	Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422	Y185-F418 HydrophobicContact CD1-CD1 4.32Å; Y185-F418 AromaticContact CD1-CE1 3.98Å; Y185-F418 HydrophobicContact CD1-CE1 3.98Å; Y185-F418 AromaticContact CD2-CE1 3.72Å; Y185-F418 HydrophobicContact CD2-CE1 3.72Å; Y185-F418 HydrophobicContact CD2-CZ 4.15Å; Y185-F418 HydrophobicContact CE1-CE1 4.4Å; Y185-F418 HydrophobicContact CE2-CE1 4.16Å; Y185-F418 HydrophobicContact CE2-CZ 4.44Å; Y185-F418 HydrophobicContact CG-CD1 4.39Å; Y185-F418 AromaticContact CG-CE1 3.62Å; Y185-F418 HydrophobicContact CG-CE1 3.62Å; Y185-F418 HydrophobicContact CG-CZ 4.47Å; L189-F418 HydrophobicContact CD1-CD1 4.47Å; L189-F418 HydrophobicContact CD1-CE1 4.01Å; F395-F418 AromaticContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CE2-CD1 3.88Å; F395-F418 HydrophobicContact CZ-CB 4.13Å; F395-F418 HydrophobicContact CZ-CD1 4.01Å; F395-F418 WeakPolarHBondContact CZ-O 3.3Å; Y399-F418 HydrophobicContact CD2-CB 4.31Å; Y399-F418 HydrophobicContact CD2-CG 4.42Å; Y399-F418 HydrophobicContact CE2-CB 3.66Å; Y399-F418 HydrophobicContact CE2-CD2 4.28Å; Y399-F418 AromaticContact CE2-CG 3.96Å; Y399-F418 HydrophobicContact CE2-CG 3.96Å; V405-F418 HydrophobicContact CG1-CD2 4.35Å; V405-F418 HydrophobicContact CG1-CE2 4Å; Y408-F418 HydrophobicContact CD1-CE1 4.27Å; Y408-F418 AromaticContact CD1-CZ 3.71Å; Y408-F418 HydrophobicContact CD1-CZ 3.71Å; Y408-F418 AromaticContact CD2-CZ 3.91Å; Y408-F418 HydrophobicContact CD2-CZ 3.91Å; Y408-F418 HydrophobicContact CE1-CZ 4.35Å; Y408-F418 HydrophobicContact CG-CE1 4.38Å; Y408-F418 HydrophobicContact CG-CE2 4.23Å; Y408-F418 AromaticContact CG-CZ 3.47Å; Y408-F418 HydrophobicContact CG-CZ 3.47Å; Y408-F418 VanDerWaalsContact CG-CZ 3.47Å; M413-F418 HydrophobicContact CE-CD1 4.1Å; M413-F418 HydrophobicContact CE-CD2 3.47Å; M413-F418 VanDerWaalsContact CE-CD2 3.47Å; M413-F418 HydrophobicContact CE-CE1 4.05Å; M413-F418 HydrophobicContact CE-CE2 3.41Å; M413-F418 VanDerWaalsContact CE-CE2 3.41Å; M413-F418 HydrophobicContact CE-CG 3.83Å; M413-F418 HydrophobicContact CE-CZ 3.73Å; M413-F418 HydrophobicContact SD-CE2 4.21Å; M413-F418 HydrophobicContact SD-CZ 4.33Å; E415-F418 PolarHBondContact O-N 3.16Å; G416-F418 PolarHBondContact O-N 2.87Å; F418-R422 VanDerWaalsContact O-CB 3.22Å; F418-R422 WeakPolarHBondContact O-CB 3.34Å; F418-R422 PolarHBondContact O-N 2.99Å; F418-R422 VanDerWaalsContact O-N 3.11Å
419	S	96.8	Very high	96.6	Very high	45 Å²	45	48.4 Å²	48.4	32%	0.315	29%	0.291	S	S	.	.	H	α-helix	trans	-70.6	-43.2	-178.8	-54.6	0	0	0	0	110.5	Y399 G416 E417 R422 E423	Y399-S419 PolarHBondContact OH-OG 3.42Å; G416-S419 WeakPolarHBondContact O-CB 3.38Å; G416-S419 PolarHBondContact O-N 3.17Å; E417-S419 VanDerWaalsContact C-N 3.34Å; S419-R422 PolarHBondContact O-N 2.98Å; S419-E423 WeakPolarHBondContact O-CB 3.38Å; S419-E423 WeakPolarHBondContact O-CG 3.4Å; S419-E423 PolarHBondContact O-N 3.1Å
420	E	97.8	Very high	96.5	Very high	114 Å²	114	51.1 Å²	51.1	53%	0.533	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-48.4	177.5	-68.8	175.6	-162.8	0	0	111.6	G416 R422 E423 D424	G416-E420 PolarHBondContact O-N 3.38Å; E420-R422 VanDerWaalsContact C-N 3.28Å; E420-R422 PolarHBondContact O-N 3.46Å; E420-E423 PolarHBondContact O-N 3.48Å; E420-D424 WeakPolarHBondContact O-CB 3.47Å; E420-D424 PolarHBondContact O-N 3.47Å
421	A	97.7	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-35.9	178.4	0	0	0	0	0	112.5	I188 L189 H192 E417 L425	I188-A421 HydrophobicContact CG2-CB 3.77Å; L189-A421 HydrophobicContact CD2-CB 3.91Å; H192-A421 HydrophobicContact CB-CB 3.51Å; E417-A421 WeakPolarHBondContact O-CB 3.47Å; E417-A421 PolarHBondContact O-N 3.08Å; A421-L425 PolarHBondContact O-N 3.24Å; A421-L425 VanDerWaalsContact O-N 3.1Å
422	R	97.6	Very high	96.4	Very high	47 Å²	47	48 Å²	48	18%	0.177	27%	0.267	C	S	.	.	H	α-helix	trans	-69.1	-41.2	176.3	175.7	61.7	-172.9	99.7	-9.9	112.4	D392 F395 D396 F418 S419 E420 A426	D392-R422 VanDerWaalsContact CG-NH2 3.33Å; D392-R422 IonicContact OD1-CZ 3.84Å; D392-R422 IonicContact OD1-NE 3.97Å; D392-R422 IonicContact OD1-NH1 3.95Å; D392-R422 PolarHBondContact OD1-NH1 3.19Å; D392-R422 IonicContact OD2-CZ 3.05Å; D392-R422 IonicContact OD2-NE 2.73Å; D392-R422 IonicContact OD2-NH1 2.69Å; D392-R422 PolarHBondContact OD2-NH1 3.29Å; D392-R422 IonicContact OD2-NH2 3.9Å; D392-R422 PolarHBondContact OD2-NH2 2.63Å; F395-R422 HydrophobicContact CD1-CB 4.35Å; F395-R422 HydrophobicContact CD1-CG 4.04Å; F395-R422 HydrophobicContact CE1-CB 3.71Å; F395-R422 HydrophobicContact CE1-CG 3.74Å; F395-R422 HydrophobicContact CZ-CB 3.97Å; F395-R422 HydrophobicContact CZ-CG 4.49Å; D396-R422 IonicContact OD1-CZ 3.73Å; D396-R422 IonicContact OD1-NE 3.43Å; D396-R422 PolarHBondContact OD1-NE 3.1Å; D396-R422 IonicContact OD1-NH2 3.86Å; D396-R422 IonicContact OD2-CZ 2.63Å; D396-R422 IonicContact OD2-NE 2.73Å; D396-R422 PolarHBondContact OD2-NE 3.25Å; D396-R422 IonicContact OD2-NH2 2.82Å; D396-R422 PolarHBondContact OD2-NH2 3.23Å; F418-R422 VanDerWaalsContact O-CB 3.22Å; F418-R422 WeakPolarHBondContact O-CB 3.34Å; F418-R422 PolarHBondContact O-N 2.99Å; F418-R422 VanDerWaalsContact O-N 3.11Å; S419-R422 PolarHBondContact O-N 2.98Å; E420-R422 VanDerWaalsContact C-N 3.28Å; E420-R422 PolarHBondContact O-N 3.46Å; R422-A426 PolarHBondContact O-N 2.88Å; R422-A426 VanDerWaalsContact O-N 3.1Å
423	E	97.2	Very high	96.2	Very high	140 Å²	140	51.9 Å²	51.9	65%	0.654	27%	0.269	S	S	*	.	H	α-helix	trans	-65.6	-40	175.4	-75.9	177	-169.9	0	0	111.3	S419 E420 A426 A427	S419-E423 WeakPolarHBondContact O-CB 3.38Å; S419-E423 WeakPolarHBondContact O-CG 3.4Å; S419-E423 PolarHBondContact O-N 3.1Å; E420-E423 PolarHBondContact O-N 3.48Å; E423-A426 WeakPolarHBondContact O-CB 3.47Å; E423-A426 PolarHBondContact O-N 3.43Å; E423-A427 PolarHBondContact O-N 3.32Å
424	D	96.6	Very high	96	Very high	30 Å²	30	56.8 Å²	56.8	16%	0.16	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-38.5	178	-169	32.7	0	0	0	112.3	H192 L195 R264 E420 A427 L428	H192-D424 IonicContact CE1-OD2 3.39Å; H192-D424 IonicContact CG-OD2 3.69Å; H192-D424 WeakPolarHBondContact ND1-CB 3.35Å; H192-D424 IonicContact ND1-OD2 3.79Å; H192-D424 PolarHBondContact ND1-OD2 2.94Å; L195-D424 WeakPolarHBondContact CD2-OD2 3.32Å; R264-D424 IonicContact CZ-OD1 3.1Å; R264-D424 IonicContact NH1-OD1 2.82Å; R264-D424 PolarHBondContact NH1-OD1 2.93Å; R264-D424 PolarHBondContact NH2-O 3.35Å; R264-D424 IonicContact NH2-OD1 2.83Å; R264-D424 PolarHBondContact NH2-OD1 3.17Å; E420-D424 WeakPolarHBondContact O-CB 3.47Å; E420-D424 PolarHBondContact O-N 3.47Å; D424-A427 PolarHBondContact O-N 2.93Å; D424-L428 PolarHBondContact O-N 3.1Å
425	L	96	Very high	95.7	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-67.8	-38.5	173.6	-170.1	55.4	0	0	0	112.1	I188 T191 W388 L391 D392 A421 A427 L428 E429	I188-L425 HydrophobicContact CB-CD2 4.49Å; I188-L425 HydrophobicContact CD1-CD2 3.79Å; I188-L425 HydrophobicContact CG1-CD2 3.68Å; T191-L425 HydrophobicContact CG2-CD1 4.07Å; W388-L425 HydrophobicContact CB-CD1 4.32Å; W388-L425 HydrophobicContact CD2-CD1 4.18Å; W388-L425 HydrophobicContact CE3-CD1 4.01Å; W388-L425 HydrophobicContact CG-CD1 4.26Å; L391-L425 HydrophobicContact CD2-CD2 4.02Å; D392-L425 VanDerWaalsContact OD1-CD2 3.22Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.28Å; A421-L425 PolarHBondContact O-N 3.24Å; A421-L425 VanDerWaalsContact O-N 3.1Å; L425-A427 VanDerWaalsContact C-N 3.3Å; L425-A427 PolarHBondContact O-N 2.86Å; L425-L428 HydrophobicContact CD1-CB 4.39Å; L425-L428 HydrophobicContact CD1-CD2 3.91Å; L425-L428 WeakPolarHBondContact O-CB 3.45Å; L425-L428 PolarHBondContact O-N 2.92Å; L425-L428 VanDerWaalsContact O-N 3.17Å; L425-E429 PolarHBondContact O-N 2.82Å
426	A	95.5	Very high	95.4	Very high	39 Å²	39	48 Å²	48	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-39.5	172.5	0	0	0	0	0	112.1	R422 E423 L428 E429 K430	R422-A426 PolarHBondContact O-N 2.88Å; R422-A426 VanDerWaalsContact O-N 3.1Å; E423-A426 WeakPolarHBondContact O-CB 3.47Å; E423-A426 PolarHBondContact O-N 3.43Å; A426-L428 VanDerWaalsContact C-N 3.34Å; A426-E429 PolarHBondContact O-N 2.82Å; A426-K430 PolarHBondContact O-N 3.11Å; A426-K430 VanDerWaalsContact O-N 3.1Å
427	A	95.9	Very high	95	Very high	41 Å²	41	49.1 Å²	49.1	34%	0.339	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-41	174.4	0	0	0	0	0	111.2	E423 D424 L425 E429 K430 D431	E423-A427 PolarHBondContact O-N 3.32Å; D424-A427 PolarHBondContact O-N 2.93Å; L425-A427 VanDerWaalsContact C-N 3.3Å; L425-A427 PolarHBondContact O-N 2.86Å; A427-E429 PolarHBondContact O-N 3.26Å; A427-K430 WeakPolarHBondContact O-CB 3.41Å; A427-K430 PolarHBondContact O-N 3.1Å; A427-D431 VanDerWaalsContact O-CG 3.23Å; A427-D431 PolarHBondContact O-N 3.27Å
428	L	95.7	Very high	93.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-40.6	174.1	-180	63.4	0	0	0	112.4	T191 L195 R264 F267 D424 L425 A426 K430 D431 Y432	T191-L428 HydrophobicContact CG2-CD2 4.36Å; L195-L428 HydrophobicContact CD1-CD2 4.21Å; R264-L428 HydrophobicContact CB-CD1 4.1Å; R264-L428 VanDerWaalsContact O-CD1 3.23Å; R264-L428 WeakPolarHBondContact O-CD1 3.5Å; F267-L428 HydrophobicContact CD2-CD2 4.29Å; F267-L428 HydrophobicContact CE2-CD2 3.7Å; F267-L428 HydrophobicContact CZ-CD2 4.43Å; D424-L428 PolarHBondContact O-N 3.1Å; L425-L428 HydrophobicContact CD1-CB 4.39Å; L425-L428 HydrophobicContact CD1-CD2 3.91Å; L425-L428 WeakPolarHBondContact O-CB 3.45Å; L425-L428 PolarHBondContact O-N 2.92Å; L425-L428 VanDerWaalsContact O-N 3.17Å; A426-L428 VanDerWaalsContact C-N 3.34Å; L428-K430 VanDerWaalsContact C-N 3.32Å; L428-K430 PolarHBondContact O-N 2.73Å; L428-D431 WeakPolarHBondContact O-CB 3.44Å; L428-D431 PolarHBondContact O-N 2.73Å; L428-Y432 HydrophobicContact CD1-CD2 4.08Å; L428-Y432 HydrophobicContact CD1-CE2 3.74Å; L428-Y432 HydrophobicContact CD2-CE2 4.42Å; L428-Y432 HydrophobicContact CG-CD2 4.09Å; L428-Y432 HydrophobicContact CG-CE2 3.94Å; L428-Y432 VanDerWaalsContact O-CD2 3.3Å; L428-Y432 WeakPolarHBondContact O-CD2 3.47Å; L428-Y432 PolarHBondContact O-N 3.22Å; L428-Y432 VanDerWaalsContact O-N 3.08Å
429	E	94.9	Very high	92.4	Very high	42 Å²	42	53.2 Å²	53.2	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-45	174	-73.4	-174.4	-173.1	0	0	111.8	W388 A389 L425 A426 A427 D431 Y432 E433	W388-E429 HydrophobicContact CB-CG 3.56Å; W388-E429 WeakPolarHBondContact CB-OE1 3.43Å; W388-E429 HydrophobicContact CG-CG 4.27Å; A389-E429 WeakPolarHBondContact CA-OE1 3.47Å; A389-E429 PolarHBondContact N-OE1 3.32Å; L425-E429 PolarHBondContact O-N 2.82Å; A426-E429 PolarHBondContact O-N 2.82Å; A427-E429 PolarHBondContact O-N 3.26Å; E429-D431 VanDerWaalsContact C-N 3.33Å; E429-D431 PolarHBondContact O-N 2.9Å; E429-Y432 PolarHBondContact O-N 3.35Å; E429-Y432 VanDerWaalsContact O-N 3.16Å; E429-E433 PolarHBondContact O-N 3.3Å
430	K	94.7	Very high	90.4	Very high	116 Å²	116	57.1 Å²	57.1	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-39.8	176.1	-165.2	176	-175.1	-95.6	0	112	A426 A427 L428 Y432 E433 E434	A426-K430 PolarHBondContact O-N 3.11Å; A426-K430 VanDerWaalsContact O-N 3.1Å; A427-K430 WeakPolarHBondContact O-CB 3.41Å; A427-K430 PolarHBondContact O-N 3.1Å; L428-K430 VanDerWaalsContact C-N 3.32Å; L428-K430 PolarHBondContact O-N 2.73Å; K430-Y432 VanDerWaalsContact C-N 3.28Å; K430-Y432 PolarHBondContact O-N 2.99Å; K430-E433 PolarHBondContact O-N 3.21Å; K430-E433 VanDerWaalsContact O-N 3.17Å; K430-E434 WeakPolarHBondContact CE-OE1 3.22Å; K430-E434 HydrophobicContact CG-CG 4.42Å; K430-E434 IonicContact NZ-OE1 2.65Å; K430-E434 PolarHBondContact NZ-OE1 2.83Å; K430-E434 WeakPolarHBondContact O-CB 3.16Å; K430-E434 WeakPolarHBondContact O-CG 3.45Å; K430-E434 PolarHBondContact O-N 2.81Å
431	D	94.9	Very high	88.3	Confident	43 Å²	43	57.4 Å²	57.4	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-42.1	174.1	-65.2	-26.4	0	0	0	110.7	R264 I265 A427 L428 E429 V435	R264-D431 WeakPolarHBondContact CD-OD2 3.5Å; R264-D431 IonicContact CZ-OD2 3.71Å; R264-D431 IonicContact NE-OD2 3.79Å; R264-D431 PolarHBondContact NE-OD2 2.91Å; R264-D431 IonicContact NH2-OD2 2.81Å; I265-D431 HydrophobicContact CD1-CB 4.13Å; I265-D431 HydrophobicContact CG1-CB 4.28Å; A427-D431 VanDerWaalsContact O-CG 3.23Å; A427-D431 PolarHBondContact O-N 3.27Å; L428-D431 WeakPolarHBondContact O-CB 3.44Å; L428-D431 PolarHBondContact O-N 2.73Å; E429-D431 VanDerWaalsContact C-N 3.33Å; E429-D431 PolarHBondContact O-N 2.9Å; D431-V435 WeakPolarHBondContact O-CG1 3.4Å; D431-V435 WeakPolarHBondContact O-CG2 3.41Å; D431-V435 PolarHBondContact O-N 3.03Å
432	Y	94.9	Very high	86	Confident	1 Å²	1	65.1 Å²	65.1	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-69.7	-33.8	175.9	-84.8	-74.2	0	0	0	113.6	I265 M313 T382 I384 W388 L428 E429 K430 V435 G436	I265-Y432 HydrophobicContact CB-CE1 4.37Å; I265-Y432 HydrophobicContact CG2-CD1 3.92Å; I265-Y432 HydrophobicContact CG2-CE1 3.28Å; I265-Y432 HydrophobicContact CG2-CE2 4.4Å; M313-Y432 HydrophobicContact CE-CD1 4.01Å; M313-Y432 HydrophobicContact CE-CE1 3.8Å; T382-Y432 HydrophobicContact CG2-CD1 4.47Å; T382-Y432 VanDerWaalsContact CG2-O 3.28Å; T382-Y432 WeakPolarHBondContact CG2-O 3.33Å; I384-Y432 HydrophobicContact CG2-CD1 3.83Å; I384-Y432 HydrophobicContact CG2-CD2 4.23Å; I384-Y432 HydrophobicContact CG2-CE1 3.34Å; I384-Y432 HydrophobicContact CG2-CE2 3.84Å; I384-Y432 HydrophobicContact CG2-CG 4.25Å; W388-Y432 AromaticContact NE1-CD2 3.74Å; W388-Y432 AromaticContact NE1-CE2 3.46Å; L428-Y432 HydrophobicContact CD1-CD2 4.08Å; L428-Y432 HydrophobicContact CD1-CE2 3.74Å; L428-Y432 HydrophobicContact CD2-CE2 4.42Å; L428-Y432 HydrophobicContact CG-CD2 4.09Å; L428-Y432 HydrophobicContact CG-CE2 3.94Å; L428-Y432 VanDerWaalsContact O-CD2 3.3Å; L428-Y432 WeakPolarHBondContact O-CD2 3.47Å; L428-Y432 PolarHBondContact O-N 3.22Å; L428-Y432 VanDerWaalsContact O-N 3.08Å; E429-Y432 PolarHBondContact O-N 3.35Å; E429-Y432 VanDerWaalsContact O-N 3.16Å; K430-Y432 VanDerWaalsContact C-N 3.28Å; K430-Y432 PolarHBondContact O-N 2.99Å; Y432-V435 WeakPolarHBondContact O-CG2 3.35Å; Y432-G436 PolarHBondContact O-N 3.39Å
433	E	92.8	Very high	83.6	Confident	140 Å²	140	69.7 Å²	69.7	65%	0.654	36%	0.356	S	S	*	.	H	α-helix	trans	-66.3	-50.8	174.5	-174.1	176.3	-164	0	0	110.5	E429 K430 V435 G436 T437	E429-E433 PolarHBondContact O-N 3.3Å; K430-E433 PolarHBondContact O-N 3.21Å; K430-E433 VanDerWaalsContact O-N 3.17Å; E433-V435 PolarHBondContact O-N 3.34Å; E433-G436 WeakPolarHBondContact O-CA 3.48Å; E433-G436 PolarHBondContact O-N 2.94Å; E433-T437 PolarHBondContact O-N 3.18Å; E433-T437 PolarHBondContact O-OG1 3.04Å
434	E	92.3	Very high	81.1	Confident	107 Å²	107	69 Å²	69	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-58.3	-43.8	-178.6	-74.2	179.1	-170.9	0	0	112.5	K430 G436 T437	K430-E434 WeakPolarHBondContact CE-OE1 3.22Å; K430-E434 HydrophobicContact CG-CG 4.42Å; K430-E434 IonicContact NZ-OE1 2.65Å; K430-E434 PolarHBondContact NZ-OE1 2.83Å; K430-E434 WeakPolarHBondContact O-CB 3.16Å; K430-E434 WeakPolarHBondContact O-CG 3.45Å; K430-E434 PolarHBondContact O-N 2.81Å; E434-G436 PolarHBondContact O-N 3.35Å; E434-T437 PolarHBondContact O-N 3.18Å
435	V	91.3	Very high	78.7	Confident	14 Å²	14	76.1 Å²	76.1	9%	0.085	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.6	177.6	-60.1	0	0	0	0	113.9	Y262 I265 M313 W346 T382 D431 Y432 E433	Y262-V435 HydrophobicContact CD2-CG1 3.85Å; Y262-V435 HydrophobicContact CE2-CG1 3.53Å; I265-V435 HydrophobicContact CD1-CB 4.38Å; I265-V435 HydrophobicContact CD1-CG1 3.62Å; I265-V435 HydrophobicContact CD1-CG2 3.88Å; M313-V435 HydrophobicContact CE-CG2 4.47Å; M313-V435 HydrophobicContact SD-CB 4.25Å; M313-V435 HydrophobicContact SD-CG2 3.6Å; W346-V435 HydrophobicContact CZ2-CB 4.29Å; W346-V435 PolarHBondContact NE1-O 2.82Å; W346-V435 VanDerWaalsContact NE1-O 3.17Å; T382-V435 HydrophobicContact CG2-CG2 3.83Å; D431-V435 WeakPolarHBondContact O-CG1 3.4Å; D431-V435 WeakPolarHBondContact O-CG2 3.41Å; D431-V435 PolarHBondContact O-N 3.03Å; Y432-V435 WeakPolarHBondContact O-CG2 3.35Å; E433-V435 PolarHBondContact O-N 3.34Å
436	G	88.9	Confident	76.4	Confident	14 Å²	14	79 Å²	79	14%	0.144	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-22	177.8	0	0	0	0	0	114.1	K311 Y432 E433 E434	K311-G436 WeakPolarHBondContact CD-O 3.07Å; K311-G436 WeakPolarHBondContact CE-O 3.44Å; K311-G436 PolarHBondContact NZ-O 2.7Å; Y432-G436 PolarHBondContact O-N 3.39Å; E433-G436 WeakPolarHBondContact O-CA 3.48Å; E433-G436 PolarHBondContact O-N 2.94Å; E434-G436 PolarHBondContact O-N 3.35Å
437	T	87.5	Confident	73.8	Confident	57 Å²	57	84.2 Å²	84.2	35%	0.35	44%	0.438	S	S	.	.	S	Bend	trans	-64.9	135.1	175.6	-50.7	0	0	0	0	110.1	E433 E434 E441	E433-T437 PolarHBondContact O-N 3.18Å; E433-T437 PolarHBondContact O-OG1 3.04Å; E434-T437 PolarHBondContact O-N 3.18Å; T437-E441 HydrophobicContact CG2-CB 4.41Å
438	D	74	Confident	71.2	Confident	58 Å²	58	91.4 Å²	91.4	31%	0.31	46%	0.464	S	S	.	.			trans	-71	138.2	177.7	-73.6	-46.1	0	0	0	110	K311 F440 E441	K311-D438 IonicContact NZ-OD1 3.2Å; K311-D438 PolarHBondContact NZ-OD1 3.05Å; K311-D438 IonicContact NZ-OD2 2.82Å; K311-D438 PolarHBondContact NZ-OD2 3.01Å; D438-F440 PolarHBondContact O-N 2.85Å; D438-E441 PolarHBondContact O-N 2.65Å
439	S	66.6	Low	68.8	Low	64 Å²	64	104 Å²	104	45%	0.448	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-20.9	179.9	61	0	0	0	0	113.2	D345	D345-S439 WeakPolarHBondContact OD2-CB 3.49Å; D345-S439 PolarHBondContact OD2-N 3.25Å; D345-S439 PolarHBondContact OD2-OG 2.96Å
440	F	56.5	Low	67.5	Low	127 Å²	127	107.1 Å²	107.1	56%	0.557	54%	0.535	S	S	*	.	H	α-helix	trans	-81.8	-12.4	179.6	-61.6	-76.4	0	0	0	114.7	D438 N444	D438-F440 PolarHBondContact O-N 2.85Å; F440-N444 PolarHBondContact O-ND2 3.49Å
441	E	52.3	Low	66.1	Low	120 Å²	120	106.6 Å²	106.6	56%	0.561	54%	0.537	S	S	*	.	H	α-helix	trans	-73.5	-35.5	175.6	-72.8	-172.8	160.1	0	0	111	T437 D438	T437-E441 HydrophobicContact CG2-CB 4.41Å; D438-E441 PolarHBondContact O-N 2.65Å
442	E	50.3	Low	64.5	Low	162 Å²	162	110.1 Å²	110.1	76%	0.757	55%	0.554	S	S	*	*	H	α-helix	trans	-73.2	-30.5	177.8	-67.2	-170.8	166.4	0	0	113.6
443	E	46.7	Very low	62.7	Low	144 Å²	144	116.5 Å²	116.5	67%	0.673	59%	0.586	S	S	*	*	H	α-helix	trans	-74	-29.5	177.6	-75.4	-170.7	163.8	0	0	112.8	G446	E443-G446 PolarHBondContact O-N 3.38Å
444	N	45.5	Very low	60.8	Low	125 Å²	125	115.1 Å²	115.1	67%	0.668	58%	0.582	S	S	*	*	H	α-helix	trans	-79.7	-18.5	-179.3	-76.9	-50.5	0	0	0	113.9	F440 G446	F440-N444 PolarHBondContact O-ND2 3.49Å; N444-G446 PolarHBondContact O-N 2.98Å
445	E	46.3	Very low	58.7	Low	180 Å²	180	115.6 Å²	115.6	84%	0.841	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-7	171.5	-68.2	-162.9	161.4	0	0	112.9
446	G	45.9	Very low	56.4	Low	65 Å²	65	122.9 Å²	122.9	67%	0.67	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-6.9	178.3	0	0	0	0	0	116.1	E443 N444	E443-G446 PolarHBondContact O-N 3.38Å; N444-G446 PolarHBondContact O-N 2.98Å
447	E	41.2	Very low	53.9	Low	148 Å²	148	131.2 Å²	131.2	69%	0.692	66%	0.66	S	S	*	*			trans	-114.1	49.3	-177.9	-66.9	-163.2	167.9	0	0	113.3
448	E	42.9	Very low	51.1	Low	191 Å²	191	137.4 Å²	137.4	89%	0.893	69%	0.686	S	S	*	*			trans	-106.4	105.7	155.3	-72.8	-161.7	161.9	0	0	109.7
449	F	44.4	Very low	49	Very low	265 Å²	265	144.6 Å²	144.6	100%	1.162	72%	0.72	S	S	*	*			trans	-66.7	0	-178.9	-78.8	-91	0	0	0	114.5

Retrieved 449 of 449 residues in 637.9 ms (Link to these results)

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