A0A087YS57_POEFO Loading...

Gap junction protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell. Structural component of lens fiber gap junctions. Gap junctions are dodecameric channels that connect the cytoplasm of adjoining cells. They are formed by the docking of two hexameric hemichannels, one from each cell membrane. Small molecules and ions diffuse from one cell to a neighboring cell via the central pore.

AlphaFold DB , UniProt , Accession A0A087YS57, Species POEFO (Poecilia formosa, Amazon molly), Gene GJA3, Length 439 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	47.6	Very low	64.7	Low	203 Å²	203	93.8 Å²	93.8	100%	1	49%	0.492	S	S	*	.				0	144.6	0	-63.3	177.1	-176.9	0	0	111.7	E42	M1-E42 WeakPolarHBondContact CA-OE1 3.38Å; M1-E42 WeakPolarHBondContact CE-OE2 3.23Å; M1-E42 WeakPolarHBondContact CG-OE1 3.11Å; M1-E42 PolarHBondContact N-OE1 2.98Å
2	G	59.5	Low	64.7	Low	48 Å²	48	97 Å²	97	50%	0.495	50%	0.502	S	S	.	.			trans	-141.3	151.1	174.9	0	0	0	0	0	111.5	W4	G2-W4 PolarHBondContact O-N 3.08Å
3	D	72.2	Confident	64.2	Low	149 Å²	149	97.5 Å²	97.5	80%	0.797	51%	0.506	S	S	*	.			trans	-79.8	83.9	-166.6	-77.3	-55.2	0	0	0	114.7	S5	D3-S5 PolarHBondContact O-N 2.99Å
4	W	70.8	Confident	63.7	Low	84 Å²	84	91.4 Å²	91.4	32%	0.318	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.5	172.6	-59.9	104.7	0	0	0	114.4	G2 F6 L7 G8 I34 V79 I82	G2-W4 PolarHBondContact O-N 3.08Å; W4-F6 VanDerWaalsContact C-N 3.33Å; W4-F6 PolarHBondContact O-N 3.06Å; W4-L7 HydrophobicContact CE3-CD2 4.35Å; W4-L7 HydrophobicContact CZ3-CD2 4.4Å; W4-L7 PolarHBondContact O-N 2.96Å; W4-G8 PolarHBondContact O-N 3.37Å; W4-I34 HydrophobicContact CB-CG2 4.31Å; W4-I34 HydrophobicContact CD2-CG2 4.21Å; W4-I34 HydrophobicContact CE3-CD1 4.11Å; W4-I34 HydrophobicContact CG-CG2 4.08Å; W4-V79 HydrophobicContact CH2-CG1 4.18Å; W4-V79 HydrophobicContact CH2-CG2 4.04Å; W4-V79 HydrophobicContact CZ2-CG2 4.17Å; W4-I82 HydrophobicContact CZ3-CG2 4.38Å
5	S	69.6	Low	63.1	Low	75 Å²	75	89.7 Å²	89.7	52%	0.524	47%	0.466	S	S	.	.	H	α-helix	trans	-59	-37.1	-173.7	62	0	0	0	0	113.9	D3 R9	D3-S5 PolarHBondContact O-N 2.99Å; S5-R9 WeakPolarHBondContact O-CG 3.29Å; S5-R9 PolarHBondContact O-N 2.99Å; S5-R9 VanDerWaalsContact O-N 3.14Å
6	F	65.6	Low	62.7	Low	143 Å²	143	93.3 Å²	93.3	63%	0.627	48%	0.48	S	S	*	.	H	α-helix	trans	-70.2	-42	177.1	-176.4	-109.4	0	0	0	112.1	W4 R9 L10	W4-F6 VanDerWaalsContact C-N 3.33Å; W4-F6 PolarHBondContact O-N 3.06Å; F6-R9 PolarHBondContact O-N 3.47Å; F6-L10 HydrophobicContact CD1-CD1 3.98Å; F6-L10 HydrophobicContact CE1-CD1 3.5Å; F6-L10 VanDerWaalsContact CE1-CD1 3.5Å; F6-L10 HydrophobicContact CE1-CG 4.41Å; F6-L10 HydrophobicContact CE2-CD1 4.47Å; F6-L10 HydrophobicContact CZ-CD1 3.78Å; F6-L10 HydrophobicContact CZ-CG 4.37Å; F6-L10 WeakPolarHBondContact O-CG 3.48Å; F6-L10 PolarHBondContact O-N 3.01Å; F6-L10 VanDerWaalsContact O-N 3.12Å
7	L	64	Low	62.2	Low	36 Å²	36	94.2 Å²	94.2	19%	0.188	48%	0.481	C	S	.	.	H	α-helix	trans	-64.5	-42.3	177.6	-145.7	81.3	0	0	0	111	W4 L10 L11 F30 I34	W4-L7 HydrophobicContact CE3-CD2 4.35Å; W4-L7 HydrophobicContact CZ3-CD2 4.4Å; W4-L7 PolarHBondContact O-N 2.96Å; L7-L10 PolarHBondContact O-N 3.42Å; L7-L11 PolarHBondContact O-N 3.24Å; L7-F30 HydrophobicContact CD2-CE1 4.41Å; L7-F30 HydrophobicContact CD2-CZ 4.2Å; L7-I34 HydrophobicContact CD2-CD1 4.48Å
8	G	65.9	Low	61.8	Low	35 Å²	35	91.2 Å²	91.2	36%	0.361	47%	0.47	S	S	.	.	H	α-helix	trans	-57	-52.4	174.6	0	0	0	0	0	112.4	W4 L10 L11 E12	W4-G8 PolarHBondContact O-N 3.37Å; G8-L10 VanDerWaalsContact C-N 3.3Å; G8-L10 PolarHBondContact O-N 3.46Å; G8-L11 PolarHBondContact O-N 2.92Å; G8-L11 VanDerWaalsContact O-N 3.1Å; G8-E12 WeakPolarHBondContact O-CB 3.44Å; G8-E12 PolarHBondContact O-N 2.88Å
9	R	67.6	Low	61.7	Low	177 Å²	177	89.9 Å²	89.9	67%	0.668	47%	0.467	S	S	*	.	H	α-helix	trans	-60.7	-35.1	178.6	-72.5	178.3	-179.3	-165.5	1.4	113.1	S5 F6 N13	S5-R9 WeakPolarHBondContact O-CG 3.29Å; S5-R9 PolarHBondContact O-N 2.99Å; S5-R9 VanDerWaalsContact O-N 3.14Å; F6-R9 PolarHBondContact O-N 3.47Å; R9-N13 PolarHBondContact O-N 3.25Å; R9-N13 PolarHBondContact O-ND2 3.24Å
10	L	64.1	Low	61.6	Low	62 Å²	62	91 Å²	91	33%	0.325	48%	0.477	S	S	.	.	H	α-helix	trans	-70	-35.3	175.2	-72.4	175.9	0	0	0	112.8	F6 L7 G8 A14 L90	F6-L10 HydrophobicContact CD1-CD1 3.98Å; F6-L10 HydrophobicContact CE1-CD1 3.5Å; F6-L10 VanDerWaalsContact CE1-CD1 3.5Å; F6-L10 HydrophobicContact CE1-CG 4.41Å; F6-L10 HydrophobicContact CE2-CD1 4.47Å; F6-L10 HydrophobicContact CZ-CD1 3.78Å; F6-L10 HydrophobicContact CZ-CG 4.37Å; F6-L10 WeakPolarHBondContact O-CG 3.48Å; F6-L10 PolarHBondContact O-N 3.01Å; F6-L10 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.42Å; G8-L10 VanDerWaalsContact C-N 3.3Å; G8-L10 PolarHBondContact O-N 3.46Å; L10-A14 PolarHBondContact O-N 3.35Å; L10-L90 HydrophobicContact CB-CD2 4.01Å
11	L	64.7	Low	61.4	Low	20 Å²	20	93 Å²	93	11%	0.105	49%	0.487	C	S	.	.	H	α-helix	trans	-73.5	-36.6	175.6	-85.7	153.7	0	0	0	113	L7 G8 A14 Q15 F30	L7-L11 PolarHBondContact O-N 3.24Å; G8-L11 PolarHBondContact O-N 2.92Å; G8-L11 VanDerWaalsContact O-N 3.1Å; L11-A14 WeakPolarHBondContact O-CA 3.28Å; L11-A14 WeakPolarHBondContact O-CB 3.49Å; L11-A14 PolarHBondContact O-N 3.28Å; L11-Q15 PolarHBondContact O-N 3.34Å; L11-F30 HydrophobicContact CD1-CD1 3.65Å; L11-F30 HydrophobicContact CD1-CE1 3.12Å; L11-F30 HydrophobicContact CD1-CZ 3.79Å
12	E	64.8	Low	62	Low	132 Å²	132	83.6 Å²	83.6	62%	0.617	44%	0.443	S	S	*	.	H	α-helix	trans	-63.6	-44.9	176.2	-168.7	165.9	-141.2	0	0	110.8	G8 A14 Q15	G8-E12 WeakPolarHBondContact O-CB 3.44Å; G8-E12 PolarHBondContact O-N 2.88Å; E12-A14 PolarHBondContact O-N 3.39Å; E12-Q15 WeakPolarHBondContact O-CB 3.42Å; E12-Q15 PolarHBondContact O-N 2.96Å
13	N	58.8	Low	62.2	Low	103 Å²	103	83.3 Å²	83.3	55%	0.551	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-64	-19	169.8	-74.2	-73.1	0	0	0	113.4	R9 Q15	R9-N13 PolarHBondContact O-N 3.25Å; R9-N13 PolarHBondContact O-ND2 3.24Å; N13-Q15 VanDerWaalsContact C-N 3.31Å
14	A	56.9	Low	62	Low	13 Å²	13	79.9 Å²	79.9	11%	0.107	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-74.3	-22.4	171	0	0	0	0	0	112.9	L10 L11 E12 E16 L93	L10-A14 PolarHBondContact O-N 3.35Å; L11-A14 WeakPolarHBondContact O-CA 3.28Å; L11-A14 WeakPolarHBondContact O-CB 3.49Å; L11-A14 PolarHBondContact O-N 3.28Å; E12-A14 PolarHBondContact O-N 3.39Å; A14-E16 VanDerWaalsContact C-N 3.28Å; A14-E16 PolarHBondContact O-N 3.17Å; A14-L93 HydrophobicContact CB-CD1 4.3Å; A14-L93 HydrophobicContact CB-CD2 3.74Å; A14-L93 HydrophobicContact CB-CG 4.4Å
15	Q	54.2	Low	61.7	Low	66 Å²	66	82.7 Å²	82.7	31%	0.308	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-82.1	6	-172.3	-71.5	175.4	-99	0	0	114.2	L11 E12 N13 K23 T27	L11-Q15 PolarHBondContact O-N 3.34Å; E12-Q15 WeakPolarHBondContact O-CB 3.42Å; E12-Q15 PolarHBondContact O-N 2.96Å; N13-Q15 VanDerWaalsContact C-N 3.31Å; Q15-K23 HydrophobicContact CB-CD 4.26Å; Q15-K23 HydrophobicContact CB-CG 4.31Å; Q15-K23 HydrophobicContact CG-CG 4.18Å; Q15-K23 WeakPolarHBondContact O-CD 3.38Å; Q15-K23 WeakPolarHBondContact O-CE 3.14Å; Q15-K23 PolarHBondContact O-NZ 2.93Å; Q15-T27 HydrophobicContact CG-CG2 3.73Å; Q15-T27 PolarHBondContact NE2-OG1 3.45Å; Q15-T27 VanDerWaalsContact NE2-OG1 3.08Å
16	E	57.6	Low	61.5	Low	147 Å²	147	80.5 Å²	80.5	69%	0.687	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-41.8	172.2	-61.8	-148.8	130.2	0	0	112.5	A14 K23	A14-E16 VanDerWaalsContact C-N 3.28Å; A14-E16 PolarHBondContact O-N 3.17Å; E16-K23 PolarHBondContact O-NZ 3.31Å
17	H	52.8	Low	61.8	Low	109 Å²	109	74.6 Å²	74.6	51%	0.505	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-12.6	-163.2	-59.7	-39.6	0	0	0	118.3
18	S	55.3	Low	62.3	Low	39 Å²	39	76.9 Å²	76.9	27%	0.273	40%	0.396	S	S	.	.	S	Bend	trans	-81.7	169.1	-177.4	-64.1	0	0	0	0	115.7	K23	S18-K23 WeakPolarHBondContact O-CE 3.26Å; S18-K23 PolarHBondContact O-NZ 3.49Å; S18-K23 VanDerWaalsContact O-NZ 3.13Å
19	T	59.6	Low	62.8	Low	67 Å²	67	76 Å²	76	41%	0.411	38%	0.383	S	S	.	.			trans	-60.5	131.4	176.1	26	0	0	0	0	113.2	I21 G22 K23 Y161 E233	T19-I21 PolarHBondContact O-N 3.36Å; T19-G22 PolarHBondContact O-N 3.21Å; T19-K23 WeakPolarHBondContact O-CB 3.41Å; T19-K23 PolarHBondContact O-N 2.95Å; T19-Y161 PolarHBondContact OG1-OH 3.15Å; T19-E233 PolarHBondContact OG1-OE1 3.46Å
20	V	60.3	Low	63.2	Low	111 Å²	111	68.6 Å²	68.6	67%	0.673	36%	0.355	S	S	*	.	H	α-helix	trans	-50.6	-47.8	-171.8	-175.9	0	0	0	0	114	V24	V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 3.39Å
21	I	57.3	Low	63.9	Low	133 Å²	133	70.2 Å²	70.2	68%	0.682	36%	0.363	S	S	*	.	H	α-helix	trans	-67.8	-53.7	-173.4	-66.7	166.7	0	0	0	111.3	T19 W25	T19-I21 PolarHBondContact O-N 3.36Å; I21-W25 PolarHBondContact O-N 3.33Å
22	G	59.6	Low	64.8	Low	7 Å²	7	73.4 Å²	73.4	7%	0.072	38%	0.377	C	S	.	.	H	α-helix	trans	-62.8	-44.3	175.4	0	0	0	0	0	111.8	T19 V24 L26	T19-G22 PolarHBondContact O-N 3.21Å; G22-V24 PolarHBondContact O-N 3.14Å; G22-L26 WeakPolarHBondContact O-CB 3.48Å; G22-L26 WeakPolarHBondContact O-CD1 3.25Å; G22-L26 WeakPolarHBondContact O-CG 3.42Å; G22-L26 PolarHBondContact O-N 3.38Å
23	K	65.4	Low	65.8	Low	42 Å²	42	67.4 Å²	67.4	18%	0.183	35%	0.348	C	S	.	.	H	α-helix	trans	-54.5	-54	179.3	179.6	-170.4	-74.6	-180	0	112.3	Q15 E16 S18 T19 T27	Q15-K23 HydrophobicContact CB-CD 4.26Å; Q15-K23 HydrophobicContact CB-CG 4.31Å; Q15-K23 HydrophobicContact CG-CG 4.18Å; Q15-K23 WeakPolarHBondContact O-CD 3.38Å; Q15-K23 WeakPolarHBondContact O-CE 3.14Å; Q15-K23 PolarHBondContact O-NZ 2.93Å; E16-K23 PolarHBondContact O-NZ 3.31Å; S18-K23 WeakPolarHBondContact O-CE 3.26Å; S18-K23 PolarHBondContact O-NZ 3.49Å; S18-K23 VanDerWaalsContact O-NZ 3.13Å; T19-K23 WeakPolarHBondContact O-CB 3.41Å; T19-K23 PolarHBondContact O-N 2.95Å; K23-T27 WeakPolarHBondContact O-CG2 3.35Å; K23-T27 PolarHBondContact O-N 3.48Å; K23-T27 PolarHBondContact O-OG1 3.29Å
24	V	66.3	Low	67.1	Low	76 Å²	76	64 Å²	64	46%	0.461	33%	0.329	S	S	.	.	H	α-helix	trans	-69.8	-49.1	-174.3	174.7	0	0	0	0	111.3	V20 G22 T27 V28	V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 3.39Å; G22-V24 PolarHBondContact O-N 3.14Å; V24-T27 PolarHBondContact O-OG1 3.37Å; V24-V28 WeakPolarHBondContact O-CB 3.46Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.42Å; V24-V28 PolarHBondContact O-N 2.88Å; V24-V28 VanDerWaalsContact O-N 3.09Å
25	W	65.1	Low	68.4	Low	144 Å²	144	68.5 Å²	68.5	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-70.5	-41.3	-175.9	-90.8	82.8	0	0	0	113.2	I21 T27 V28 L29 V225 L229	I21-W25 PolarHBondContact O-N 3.33Å; W25-T27 PolarHBondContact O-N 3.48Å; W25-V28 PolarHBondContact O-N 3.23Å; W25-L29 HydrophobicContact CE3-CD1 4.23Å; W25-L29 HydrophobicContact CE3-CG 4.47Å; W25-L29 WeakPolarHBondContact O-CB 3.32Å; W25-L29 VanDerWaalsContact O-CG 3.25Å; W25-L29 WeakPolarHBondContact O-CG 3.44Å; W25-L29 PolarHBondContact O-N 3.36Å; W25-V225 HydrophobicContact CZ3-CG1 4.31Å; W25-L229 HydrophobicContact CB-CD1 3.81Å; W25-L229 HydrophobicContact CB-CD2 4.33Å; W25-L229 HydrophobicContact CD2-CD1 4.35Å; W25-L229 HydrophobicContact CE3-CD1 3.92Å; W25-L229 HydrophobicContact CG-CD1 4.37Å; W25-L229 HydrophobicContact CG-CD2 4.5Å
26	L	66.8	Low	69.8	Low	28 Å²	28	66.1 Å²	66.1	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-70.8	-32.7	-176.8	-62.7	171.8	0	0	0	112.1	G22 F30 L229	G22-L26 WeakPolarHBondContact O-CB 3.48Å; G22-L26 WeakPolarHBondContact O-CD1 3.25Å; G22-L26 WeakPolarHBondContact O-CG 3.42Å; G22-L26 PolarHBondContact O-N 3.38Å; L26-F30 WeakPolarHBondContact O-CB 3.36Å; L26-F30 PolarHBondContact O-N 2.87Å; L26-L229 HydrophobicContact CD2-CB 3.83Å; L26-L229 HydrophobicContact CD2-CD1 4.15Å
27	T	71.4	Confident	71.1	Confident	20 Å²	20	59.4 Å²	59.4	12%	0.123	31%	0.31	C	S	.	.	H	α-helix	trans	-77.8	-36.8	174.1	61.2	0	0	0	0	112.5	Q15 K23 V24 W25 L29 F30 I31	Q15-T27 HydrophobicContact CG-CG2 3.73Å; Q15-T27 PolarHBondContact NE2-OG1 3.45Å; Q15-T27 VanDerWaalsContact NE2-OG1 3.08Å; K23-T27 WeakPolarHBondContact O-CG2 3.35Å; K23-T27 PolarHBondContact O-N 3.48Å; K23-T27 PolarHBondContact O-OG1 3.29Å; V24-T27 PolarHBondContact O-OG1 3.37Å; W25-T27 PolarHBondContact O-N 3.48Å; T27-L29 PolarHBondContact O-N 3.31Å; T27-F30 PolarHBondContact O-N 3.27Å; T27-I31 WeakPolarHBondContact O-CB 3.5Å; T27-I31 WeakPolarHBondContact O-CD1 3.22Å; T27-I31 WeakPolarHBondContact O-CG1 3.44Å; T27-I31 PolarHBondContact O-N 3.23Å
28	V	73.8	Confident	72.6	Confident	84 Å²	84	56.8 Å²	56.8	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-49	172	167	0	0	0	0	110.4	V24 W25 F30 I31 F32	V24-V28 WeakPolarHBondContact O-CB 3.46Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.42Å; V24-V28 PolarHBondContact O-N 2.88Å; V24-V28 VanDerWaalsContact O-N 3.09Å; W25-V28 PolarHBondContact O-N 3.23Å; V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 3.26Å; V28-I31 PolarHBondContact O-N 2.95Å; V28-F32 WeakPolarHBondContact O-CB 3.34Å; V28-F32 PolarHBondContact O-N 3.35Å
29	L	76.3	Confident	73.7	Confident	17 Å²	17	57.8 Å²	57.8	9%	0.089	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-36.7	177.3	-67	167.1	0	0	0	112.6	W25 T27 F32 R33 V222 V225 L229	W25-L29 HydrophobicContact CE3-CD1 4.23Å; W25-L29 HydrophobicContact CE3-CG 4.47Å; W25-L29 WeakPolarHBondContact O-CB 3.32Å; W25-L29 VanDerWaalsContact O-CG 3.25Å; W25-L29 WeakPolarHBondContact O-CG 3.44Å; W25-L29 PolarHBondContact O-N 3.36Å; T27-L29 PolarHBondContact O-N 3.31Å; L29-F32 PolarHBondContact O-N 3.44Å; L29-R33 WeakPolarHBondContact O-CG 3.5Å; L29-R33 PolarHBondContact O-N 3.39Å; L29-V222 HydrophobicContact CB-CG1 4.28Å; L29-V222 HydrophobicContact CD2-CG1 4Å; L29-V225 HydrophobicContact CD1-CG1 3.9Å; L29-V225 HydrophobicContact CD2-CG1 4.3Å; L29-L229 HydrophobicContact CD1-CD1 3.38Å
30	F	76.6	Confident	74.6	Confident	21 Å²	21	54.7 Å²	54.7	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-70.3	-45.2	178.8	-171.7	-88.6	0	0	0	112.5	L7 L11 L26 T27 V28 F32 R33 I34 I82	L7-F30 HydrophobicContact CD2-CE1 4.41Å; L7-F30 HydrophobicContact CD2-CZ 4.2Å; L11-F30 HydrophobicContact CD1-CD1 3.65Å; L11-F30 HydrophobicContact CD1-CE1 3.12Å; L11-F30 HydrophobicContact CD1-CZ 3.79Å; L26-F30 WeakPolarHBondContact O-CB 3.36Å; L26-F30 PolarHBondContact O-N 2.87Å; T27-F30 PolarHBondContact O-N 3.27Å; V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 3.26Å; F30-F32 VanDerWaalsContact C-N 3.28Å; F30-F32 PolarHBondContact O-N 3.38Å; F30-R33 PolarHBondContact O-N 2.84Å; F30-I34 HydrophobicContact CD1-CD1 3.98Å; F30-I34 HydrophobicContact CE1-CD1 3.39Å; F30-I34 HydrophobicContact CE1-CG1 4.23Å; F30-I34 HydrophobicContact CZ-CD1 4.11Å; F30-I34 PolarHBondContact O-N 3.03Å; F30-I34 VanDerWaalsContact O-N 3.11Å; F30-I82 HydrophobicContact CE1-CG2 4.41Å; F30-I82 HydrophobicContact CE2-CB 4.46Å; F30-I82 HydrophobicContact CE2-CG2 3.79Å; F30-I82 HydrophobicContact CZ-CG2 3.53Å
31	I	79.3	Confident	75.4	Confident	95 Å²	95	50.7 Å²	50.7	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-42.2	173.1	-68.8	164.1	0	0	0	109.8	T27 V28 R33 I34 L35	T27-I31 WeakPolarHBondContact O-CB 3.5Å; T27-I31 WeakPolarHBondContact O-CD1 3.22Å; T27-I31 WeakPolarHBondContact O-CG1 3.44Å; T27-I31 PolarHBondContact O-N 3.23Å; V28-I31 PolarHBondContact O-N 2.95Å; I31-R33 PolarHBondContact O-N 2.69Å; I31-I34 PolarHBondContact O-N 3.16Å; I31-L35 WeakPolarHBondContact O-CB 3.38Å; I31-L35 PolarHBondContact O-N 2.89Å
32	F	81.7	Confident	76.3	Confident	88 Å²	88	49.5 Å²	49.5	39%	0.386	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-39.6	178.1	-166.3	-130.7	0	0	0	112.5	V28 L29 F30 L35 V36 F218 V222	V28-F32 WeakPolarHBondContact O-CB 3.34Å; V28-F32 PolarHBondContact O-N 3.35Å; L29-F32 PolarHBondContact O-N 3.44Å; F30-F32 VanDerWaalsContact C-N 3.28Å; F30-F32 PolarHBondContact O-N 3.38Å; F32-L35 PolarHBondContact O-N 3.36Å; F32-V36 WeakPolarHBondContact O-CB 3.49Å; F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.18Å; F32-F218 HydrophobicContact CD1-CE1 4.45Å; F32-F218 AromaticContact CD1-CZ 3.97Å; F32-F218 HydrophobicContact CD1-CZ 3.97Å; F32-F218 HydrophobicContact CE1-CE1 4.09Å; F32-F218 AromaticContact CE1-CE2 3.81Å; F32-F218 HydrophobicContact CE1-CE2 3.81Å; F32-F218 AromaticContact CE1-CZ 3.23Å; F32-F218 HydrophobicContact CE1-CZ 3.23Å; F32-F218 HydrophobicContact CE2-CZ 4.21Å; F32-F218 AromaticContact CZ-CE2 3.82Å; F32-F218 HydrophobicContact CZ-CE2 3.82Å; F32-F218 AromaticContact CZ-CZ 3.39Å; F32-F218 HydrophobicContact CZ-CZ 3.39Å; F32-V222 HydrophobicContact CD1-CG2 4.01Å; F32-V222 HydrophobicContact CE1-CG2 4.12Å
33	R	87.8	Confident	77.4	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.019	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-44.3	171.4	-67.3	-174.2	-162.2	174.8	9.3	112.5	L29 F30 I31 V36 L37 I82 E172 M219 V222	L29-R33 WeakPolarHBondContact O-CG 3.5Å; L29-R33 PolarHBondContact O-N 3.39Å; F30-R33 PolarHBondContact O-N 2.84Å; I31-R33 PolarHBondContact O-N 2.69Å; R33-V36 PolarHBondContact O-N 3.48Å; R33-L37 WeakPolarHBondContact O-CB 3.36Å; R33-L37 PolarHBondContact O-N 2.99Å; R33-I82 HydrophobicContact CB-CD1 3.82Å; R33-I82 HydrophobicContact CB-CG1 4.43Å; R33-E172 IonicContact CZ-OE1 3.92Å; R33-E172 IonicContact CZ-OE2 3.79Å; R33-E172 IonicContact NH1-OE1 3.55Å; R33-E172 PolarHBondContact NH1-OE1 3.47Å; R33-E172 IonicContact NH1-OE2 3.2Å; R33-E172 VanDerWaalsContact NH2-CD 3.27Å; R33-E172 IonicContact NH2-OE1 2.69Å; R33-E172 PolarHBondContact NH2-OE1 2.92Å; R33-E172 VanDerWaalsContact NH2-OE1 3.11Å; R33-E172 IonicContact NH2-OE2 2.84Å; R33-E172 PolarHBondContact NH2-OE2 3.25Å; R33-M219 HydrophobicContact CB-CE 4.23Å; R33-M219 HydrophobicContact CG-CE 4.25Å; R33-M219 HydrophobicContact CG-SD 4.27Å; R33-V222 HydrophobicContact CG-CG1 3.66Å; R33-V222 PolarHBondContact NH2-O 3Å
34	I	85.4	Confident	78.4	Confident	31 Å²	31	53.5 Å²	53.5	16%	0.159	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-41.3	178.4	-69.3	-177.2	0	0	0	111	W4 L7 F30 I31 L37 G38 I82	W4-I34 HydrophobicContact CB-CG2 4.31Å; W4-I34 HydrophobicContact CD2-CG2 4.21Å; W4-I34 HydrophobicContact CE3-CD1 4.11Å; W4-I34 HydrophobicContact CG-CG2 4.08Å; L7-I34 HydrophobicContact CD2-CD1 4.48Å; F30-I34 HydrophobicContact CD1-CD1 3.98Å; F30-I34 HydrophobicContact CE1-CD1 3.39Å; F30-I34 HydrophobicContact CE1-CG1 4.23Å; F30-I34 HydrophobicContact CZ-CD1 4.11Å; F30-I34 PolarHBondContact O-N 3.03Å; F30-I34 VanDerWaalsContact O-N 3.11Å; I31-I34 PolarHBondContact O-N 3.16Å; I34-L37 PolarHBondContact O-N 3.44Å; I34-G38 PolarHBondContact O-N 3.48Å; I34-I82 HydrophobicContact CD1-CG2 4.44Å; I34-I82 HydrophobicContact CG1-CD1 3.88Å; I34-I82 HydrophobicContact CG1-CG2 4.41Å
35	L	83.8	Confident	79.4	Confident	108 Å²	108	50.4 Å²	50.4	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-61.1	-47	176.9	-173.9	158.8	0	0	0	111.1	I31 F32 G38 A39	I31-L35 WeakPolarHBondContact O-CB 3.38Å; I31-L35 PolarHBondContact O-N 2.89Å; F32-L35 PolarHBondContact O-N 3.36Å; L35-G38 PolarHBondContact O-N 3.45Å; L35-A39 PolarHBondContact O-N 3.19Å
36	V	83.7	Confident	80.3	Confident	17 Å²	17	46.4 Å²	46.4	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-70.9	-34.7	-179.6	170.3	0	0	0	0	112.3	F32 R33 A40 F215 F218 M219	F32-V36 WeakPolarHBondContact O-CB 3.49Å; F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.18Å; R33-V36 PolarHBondContact O-N 3.48Å; V36-A40 VanDerWaalsContact O-CB 3.25Å; V36-A40 WeakPolarHBondContact O-CB 3.26Å; V36-A40 PolarHBondContact O-N 3.11Å; V36-F215 HydrophobicContact CG1-CD1 3.89Å; V36-F215 HydrophobicContact CG1-CE1 4.02Å; V36-F218 HydrophobicContact CB-CE1 4.06Å; V36-F218 HydrophobicContact CG1-CD1 4.2Å; V36-F218 HydrophobicContact CG1-CE1 3.8Å; V36-F218 HydrophobicContact CG2-CE1 3.67Å; V36-F218 HydrophobicContact CG2-CZ 3.77Å; V36-M219 HydrophobicContact CG1-SD 4.42Å
37	L	85.4	Confident	81.2	Confident	6 Å²	6	46 Å²	46	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-44.5	167	-92.5	156.9	0	0	0	111.9	R33 I34 A39 A41 I75 W78 V79 I82 M219	R33-L37 WeakPolarHBondContact O-CB 3.36Å; R33-L37 PolarHBondContact O-N 2.99Å; I34-L37 PolarHBondContact O-N 3.44Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 2.88Å; L37-A41 WeakPolarHBondContact O-CB 3.27Å; L37-A41 PolarHBondContact O-N 3.31Å; L37-I75 HydrophobicContact CD2-CB 4.45Å; L37-I75 HydrophobicContact CD2-CD1 3.83Å; L37-I75 HydrophobicContact CD2-CG2 3.9Å; L37-W78 HydrophobicContact CD1-CB 4.06Å; L37-W78 HydrophobicContact CD2-CB 4.24Å; L37-W78 HydrophobicContact CD2-CE3 4.27Å; L37-W78 HydrophobicContact CG-CB 4.49Å; L37-V79 HydrophobicContact CD2-CG2 4.22Å; L37-I82 HydrophobicContact CD1-CD1 3.31Å; L37-I82 HydrophobicContact CD1-CG1 4.42Å; L37-M219 HydrophobicContact CD1-CE 4.2Å; L37-M219 HydrophobicContact CG-CE 4.35Å
38	G	83.1	Confident	82	Confident	53 Å²	53	46.3 Å²	46.3	55%	0.546	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-36.6	179.1	0	0	0	0	0	113.5	I34 L35	I34-G38 PolarHBondContact O-N 3.48Å; L35-G38 PolarHBondContact O-N 3.45Å
39	A	79.5	Confident	82.6	Confident	61 Å²	61	47.7 Å²	47.7	50%	0.504	27%	0.274	S	S	.	.	H	α-helix	trans	-77	-50.7	176.1	0	0	0	0	0	112.5	L35 L37	L35-A39 PolarHBondContact O-N 3.19Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 2.88Å
40	A	78	Confident	83.3	Confident	2 Å²	2	50.9 Å²	50.9	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-86.1	-21.9	-168.5	0	0	0	0	0	114.6	V36 E42 V44 W45 F215	V36-A40 VanDerWaalsContact O-CB 3.25Å; V36-A40 WeakPolarHBondContact O-CB 3.26Å; V36-A40 PolarHBondContact O-N 3.11Å; A40-E42 PolarHBondContact O-N 2.88Å; A40-V44 HydrophobicContact CB-CB 4.49Å; A40-V44 HydrophobicContact CB-CG2 4.18Å; A40-V44 WeakPolarHBondContact O-CB 3.44Å; A40-V44 PolarHBondContact O-N 3.33Å; A40-W45 HydrophobicContact CB-CZ3 4.1Å; A40-F215 HydrophobicContact CB-CD1 3.95Å; A40-F215 HydrophobicContact CB-CE1 3.65Å; A40-F215 HydrophobicContact CB-CE2 4.35Å; A40-F215 HydrophobicContact CB-CG 4.42Å; A40-F215 HydrophobicContact CB-CZ 3.87Å
41	A	77.4	Confident	84	Confident	26 Å²	26	53.5 Å²	53.5	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-40.1	-173	0	0	0	0	0	113.9	L37 G46 I75	L37-A41 WeakPolarHBondContact O-CB 3.27Å; L37-A41 PolarHBondContact O-N 3.31Å; A41-G46 PolarHBondContact O-N 3.33Å; A41-I75 HydrophobicContact CB-CD1 3.86Å; A41-I75 HydrophobicContact CB-CG1 4.13Å; A41-I75 HydrophobicContact CB-CG2 3.79Å
42	E	75.5	Confident	84.7	Confident	108 Å²	108	49.1 Å²	49.1	51%	0.505	29%	0.29	S	S	.	.	H	α-helix	trans	-92.3	-30.2	-175.9	-62.8	-176.9	178.1	0	0	111.7	M1 A40 G46	M1-E42 WeakPolarHBondContact CA-OE1 3.38Å; M1-E42 WeakPolarHBondContact CE-OE2 3.23Å; M1-E42 WeakPolarHBondContact CG-OE1 3.11Å; M1-E42 PolarHBondContact N-OE1 2.98Å; A40-E42 PolarHBondContact O-N 2.88Å; E42-G46 WeakPolarHBondContact O-CA 3.4Å; E42-G46 PolarHBondContact O-N 2.71Å
43	E	82.7	Confident	85.4	Confident	132 Å²	132	48.2 Å²	48.2	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-83.3	-37.7	179.2	-176.8	171	-154.2	0	0	114.3
44	V	86.1	Confident	85.8	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-21.6	-169.8	-175.7	0	0	0	0	112.3	A40 E211 K212 F215	A40-V44 HydrophobicContact CB-CB 4.49Å; A40-V44 HydrophobicContact CB-CG2 4.18Å; A40-V44 WeakPolarHBondContact O-CB 3.44Å; A40-V44 PolarHBondContact O-N 3.33Å; V44-E211 HydrophobicContact CG1-CG 3.8Å; V44-E211 HydrophobicContact CG2-CG 4.29Å; V44-K212 HydrophobicContact CG1-CG 3.83Å; V44-K212 WeakPolarHBondContact O-CE 3.34Å; V44-K212 PolarHBondContact O-NZ 3.14Å; V44-F215 HydrophobicContact CG1-CD2 4.13Å; V44-F215 HydrophobicContact CG1-CE2 4.31Å; V44-F215 HydrophobicContact CG2-CD2 4.3Å; V44-F215 HydrophobicContact CG2-CE2 3.71Å; V44-F215 HydrophobicContact CG2-CZ 4.29Å
45	W	87.6	Confident	86.4	Confident	11 Å²	11	53 Å²	53	4%	0.042	32%	0.32	C	S	.	.	S	Bend	trans	-122.5	0.5	176.3	-76.5	-88.8	0	0	0	114.1	A40 D47 E48 H74 I75 W78 K212 F215	A40-W45 HydrophobicContact CB-CZ3 4.1Å; W45-D47 PolarHBondContact O-N 3.36Å; W45-E48 HydrophobicContact CB-CB 4.43Å; W45-E48 VanDerWaalsContact CD1-OE2 3.25Å; W45-E48 WeakPolarHBondContact O-CB 3.49Å; W45-E48 VanDerWaalsContact O-CG 3.26Å; W45-E48 WeakPolarHBondContact O-CG 3.47Å; W45-E48 PolarHBondContact O-N 3.38Å; W45-H74 HydrophobicContact CZ2-CB 3.9Å; W45-I75 HydrophobicContact CB-CG1 3.78Å; W45-I75 HydrophobicContact CD2-CD1 3.91Å; W45-I75 HydrophobicContact CD2-CG1 3.73Å; W45-I75 HydrophobicContact CE3-CD1 3.5Å; W45-I75 VanDerWaalsContact CE3-CD1 3.5Å; W45-I75 HydrophobicContact CE3-CG1 3.84Å; W45-I75 HydrophobicContact CG-CD1 4.42Å; W45-I75 HydrophobicContact CG-CG1 3.73Å; W45-I75 HydrophobicContact CZ3-CD1 3.91Å; W45-W78 AromaticContact CH2-CH2 3.48Å; W45-W78 HydrophobicContact CH2-CH2 3.48Å; W45-W78 VanDerWaalsContact CH2-CH2 3.48Å; W45-W78 AromaticContact CH2-CZ3 3.55Å; W45-W78 HydrophobicContact CH2-CZ3 3.55Å; W45-W78 AromaticContact CZ2-CH2 3.8Å; W45-W78 HydrophobicContact CZ2-CH2 3.8Å; W45-W78 HydrophobicContact CZ2-CZ3 4.07Å; W45-W78 HydrophobicContact CZ3-CH2 4.34Å; W45-W78 AromaticContact CZ3-CZ3 3.97Å; W45-W78 HydrophobicContact CZ3-CZ3 3.97Å; W45-K212 HydrophobicContact CD2-CG 4.4Å; W45-K212 HydrophobicContact CH2-CB 4.49Å; W45-K212 HydrophobicContact CH2-CG 4.37Å; W45-K212 HydrophobicContact CZ2-CB 3.89Å; W45-K212 HydrophobicContact CZ2-CG 3.77Å; W45-F215 HydrophobicContact CH2-CB 3.61Å; W45-F215 HydrophobicContact CH2-CD2 4.49Å; W45-F215 HydrophobicContact CH2-CG 4.25Å; W45-F215 HydrophobicContact CZ3-CB 4.07Å; W45-F215 HydrophobicContact CZ3-CD2 4.35Å; W45-F215 HydrophobicContact CZ3-CG 4.24Å
46	G	84.1	Confident	86.9	Confident	60 Å²	60	49.9 Å²	49.9	62%	0.619	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.8	173.8	0	0	0	0	0	113.3	A41 E42	A41-G46 PolarHBondContact O-N 3.33Å; E42-G46 WeakPolarHBondContact O-CA 3.4Å; E42-G46 PolarHBondContact O-N 2.71Å
47	D	85.9	Confident	87.5	Confident	21 Å²	21	58.6 Å²	58.6	11%	0.112	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	11	177.5	60	27.2	0	0	0	114	W45 Q49 S50 D51 R208 K212	W45-D47 PolarHBondContact O-N 3.36Å; D47-Q49 PolarHBondContact O-N 3.48Å; D47-S50 WeakPolarHBondContact CA-OG 3.47Å; D47-S50 PolarHBondContact O-N 2.73Å; D47-S50 PolarHBondContact O-OG 3.26Å; D47-D51 HydrophobicContact CB-CB 4.44Å; D47-D51 PolarHBondContact O-N 2.74Å; D47-R208 IonicContact OD1-NE 2.87Å; D47-R208 IonicContact OD2-CZ 3.76Å; D47-R208 IonicContact OD2-NE 3.66Å; D47-R208 PolarHBondContact OD2-NE 3.45Å; D47-R208 IonicContact OD2-NH2 3.83Å; D47-R208 PolarHBondContact OD2-NH2 3.26Å; D47-K212 IonicContact OD1-NZ 3.48Å
48	E	87.5	Confident	88	Confident	26 Å²	26	62 Å²	62	12%	0.121	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.1	-168	71.5	173.1	162.1	0	0	114.4	W45 Y66 S73	W45-E48 HydrophobicContact CB-CB 4.43Å; W45-E48 VanDerWaalsContact CD1-OE2 3.25Å; W45-E48 WeakPolarHBondContact O-CB 3.49Å; W45-E48 VanDerWaalsContact O-CG 3.26Å; W45-E48 WeakPolarHBondContact O-CG 3.47Å; W45-E48 PolarHBondContact O-N 3.38Å; E48-Y66 VanDerWaalsContact CG-OH 3.27Å; E48-Y66 WeakPolarHBondContact CG-OH 3.45Å; E48-Y66 VanDerWaalsContact O-CE2 3.28Å; E48-Y66 WeakPolarHBondContact O-CE2 3.5Å; E48-Y66 PolarHBondContact OE1-OH 2.75Å; E48-S73 WeakPolarHBondContact OE1-CB 3.34Å; E48-S73 PolarHBondContact OE1-OG 3.49Å; E48-S73 WeakPolarHBondContact OE2-CB 3.25Å
49	Q	87.8	Confident	88.6	Confident	113 Å²	113	64.4 Å²	64.4	53%	0.528	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-23.9	-179.8	-170.9	178	-5	0	0	113.7	D47 Y66	D47-Q49 PolarHBondContact O-N 3.48Å; Q49-Y66 HydrophobicContact CB-CD2 4.47Å; Q49-Y66 HydrophobicContact CB-CE1 4.22Å; Q49-Y66 HydrophobicContact CB-CE2 4.06Å; Q49-Y66 HydrophobicContact CG-CD1 4.04Å; Q49-Y66 HydrophobicContact CG-CD2 4.36Å; Q49-Y66 HydrophobicContact CG-CE1 4.05Å; Q49-Y66 HydrophobicContact CG-CE2 4.38Å; Q49-Y66 HydrophobicContact CG-CG 4.22Å
50	S	89.8	Confident	89.4	Confident	83 Å²	83	63.1 Å²	63.1	58%	0.58	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-31.9	178.7	54.2	0	0	0	0	112.7	D47	D47-S50 WeakPolarHBondContact CA-OG 3.47Å; D47-S50 PolarHBondContact O-N 2.73Å; D47-S50 PolarHBondContact O-OG 3.26Å
51	D	92.4	Very high	90.3	Very high	77 Å²	77	63 Å²	63	41%	0.412	36%	0.358	S	S	.	.	S	Bend	trans	-106.5	5.6	-171.8	-65	32.7	0	0	0	111.7	D47 T53	D47-D51 HydrophobicContact CB-CB 4.44Å; D47-D51 PolarHBondContact O-N 2.74Å; D51-T53 PolarHBondContact O-N 3.13Å
52	F	94.4	Very high	91.1	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.009	36%	0.364	C	S	.	.			trans	-81.8	107.5	168.4	178.1	-91.4	0	0	0	108.8	E62 C65 Y66 A69 F70 C204 F205 I206	F52-E62 HydrophobicContact CD1-CG 3.97Å; F52-E62 HydrophobicContact CE1-CG 4.36Å; F52-E62 WeakPolarHBondContact O-CG 3.14Å; F52-C65 HydrophobicContact CE1-CB 3.94Å; F52-C65 HydrophobicContact CZ-CB 4.03Å; F52-Y66 HydrophobicContact CB-CD2 4Å; F52-Y66 HydrophobicContact CD1-CD2 4.11Å; F52-Y66 HydrophobicContact CD1-CG 4.44Å; F52-Y66 HydrophobicContact CD2-CD2 4.27Å; F52-Y66 AromaticContact CG-CD2 3.87Å; F52-Y66 HydrophobicContact CG-CD2 3.87Å; F52-A69 HydrophobicContact CE2-CB 4.4Å; F52-F70 HydrophobicContact CD2-CE2 4.16Å; F52-F70 HydrophobicContact CE2-CE2 4.23Å; F52-C204 HydrophobicContact CE1-CB 4.08Å; F52-C204 HydrophobicContact CE2-CB 4.15Å; F52-C204 HydrophobicContact CZ-CB 3.62Å; F52-F205 WeakPolarHBondContact CA-O 3.36Å; F52-I206 HydrophobicContact CD2-CG1 3.96Å; F52-I206 HydrophobicContact CE2-CG1 3.9Å
53	T	95.6	Very high	92.1	Very high	69 Å²	69	64.7 Å²	64.7	42%	0.423	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.9	-169.3	45.6	0	0	0	0	112.2	D51 E62 C204 F205	D51-T53 PolarHBondContact O-N 3.13Å; T53-E62 WeakPolarHBondContact CA-OE2 3.37Å; T53-C204 CarbonylContact O-C 3.53Å; T53-C204 WeakPolarHBondContact O-CA 3.39Å; T53-F205 PolarHBondContact N-O 2.93Å; T53-F205 VanDerWaalsContact N-O 3.16Å; T53-F205 PolarHBondContact O-N 3.06Å
54	C	96.8	Very high	92.7	Very high	14 Å²	14	60 Å²	60	10%	0.095	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.8	178	-69.3	0	0	0	0	112.2	T56 E62 C204	C54-T56 HydrophobicContact CB-CG2 3.9Å; C54-T56 PolarHBondContact O-N 2.96Å; C54-E62 HydrophobicContact CB-CB 4.42Å; C54-E62 HydrophobicContact CB-CG 4.43Å; C54-E62 PolarHBondContact N-OE2 2.91Å; C54-C204 HydrophobicContact CB-CB 4.07Å; C54-C204 WeakPolarHBondContact CB-SG 3.47Å; C54-C204 WeakPolarHBondContact SG-CB 3.08Å; C54-C204 CovalentContact SG-SG 2.04Å; C54-C204 PolarHBondContact SG-SG 3.31Å
55	N	96.3	Very high	93.2	Very high	124 Å²	124	59.9 Å²	59.9	66%	0.663	34%	0.344	S	S	*	.	S	Bend	trans	-76	72.4	176.6	-172.7	12.3	0	0	0	111.3	D203	N55-D203 WeakPolarHBondContact CB-O 3.21Å; N55-D203 PolarHBondContact N-O 2.98Å
56	T	96.1	Very high	93.6	Very high	42 Å²	42	60.5 Å²	60.5	26%	0.258	35%	0.347	S	S	.	.			trans	-159.5	157.2	-177.3	-172.2	0	0	0	0	110.9	C54 Q58 C61	C54-T56 HydrophobicContact CB-CG2 3.9Å; C54-T56 PolarHBondContact O-N 2.96Å; T56-Q58 WeakPolarHBondContact OG1-CB 3.5Å; T56-Q58 PolarHBondContact OG1-N 3.01Å; T56-Q58 VanDerWaalsContact OG1-N 3.16Å; T56-C61 HydrophobicContact CG2-CB 4.03Å
57	Q	95.6	Very high	94.1	Very high	199 Å²	199	61.4 Å²	61.4	93%	0.93	34%	0.338	S	S	*	.			trans	-105.2	6.3	169.3	-61.9	-179.4	27.7	0	0	112.1	P59	Q57-P59 WeakPolarHBondContact O-CD 3.4Å
58	Q	95.6	Very high	94.6	Very high	79 Å²	79	64.4 Å²	64.4	37%	0.369	35%	0.351	S	S	.	.			trans	-75.7	115.7	-178	178.2	59.3	42.3	0	0	111.2	T56 G60 C61 P197 P199	T56-Q58 WeakPolarHBondContact OG1-CB 3.5Å; T56-Q58 PolarHBondContact OG1-N 3.01Å; T56-Q58 VanDerWaalsContact OG1-N 3.16Å; Q58-G60 PolarHBondContact O-N 3.18Å; Q58-C61 HydrophobicContact CB-CB 4.08Å; Q58-C61 HydrophobicContact CG-CB 4.08Å; Q58-C61 WeakPolarHBondContact O-CB 3.42Å; Q58-C61 PolarHBondContact O-N 3.08Å; Q58-P197 HydrophobicContact CG-CB 4.48Å; Q58-P197 WeakPolarHBondContact CG-O 3.29Å; Q58-P199 HydrophobicContact CB-CG 4.22Å
59	P	96.3	Very high	94.8	Very high	102 Å²	102	63.9 Å²	63.9	66%	0.662	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	139.7	178.2	24.9	-34.8	0	0	0	111.7	Q57 C61	Q57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-C61 PolarHBondContact O-N 3.33Å
60	G	95.3	Very high	95.1	Very high	35 Å²	35	59.4 Å²	59.4	36%	0.361	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-8.5	179.3	0	0	0	0	0	115.9	Q58 V64	Q58-G60 PolarHBondContact O-N 3.18Å; G60-V64 PolarHBondContact O-N 3Å
61	C	96.7	Very high	95.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-45.2	176.6	172.1	0	0	0	0	111.6	T56 Q58 P59 N63 V64 C65 C198	T56-C61 HydrophobicContact CG2-CB 4.03Å; Q58-C61 HydrophobicContact CB-CB 4.08Å; Q58-C61 HydrophobicContact CG-CB 4.08Å; Q58-C61 WeakPolarHBondContact O-CB 3.42Å; Q58-C61 PolarHBondContact O-N 3.08Å; P59-C61 PolarHBondContact O-N 3.33Å; C61-N63 PolarHBondContact O-N 3.36Å; C61-V64 WeakPolarHBondContact O-CG2 3.4Å; C61-V64 PolarHBondContact O-N 3.36Å; C61-C65 PolarHBondContact O-N 3.46Å; C61-C65 PolarHBondContact O-SG 3.2Å; C61-C198 WeakPolarHBondContact CA-SG 3.44Å; C61-C198 HydrophobicContact CB-CB 4.08Å; C61-C198 WeakPolarHBondContact CB-SG 3.19Å; C61-C198 VanDerWaalsContact SG-CA 3.6Å; C61-C198 WeakPolarHBondContact SG-CB 3.39Å; C61-C198 CovalentContact SG-SG 2.03Å; C61-C198 PolarHBondContact SG-SG 3.25Å
62	E	95.8	Very high	95.3	Very high	72 Å²	72	58 Å²	58	34%	0.336	32%	0.32	S	S	.	.	H	α-helix	trans	-57.3	-45.2	178.6	-166.5	161.5	85.2	0	0	112.6	F52 T53 C54 V64 C65 Y66	F52-E62 HydrophobicContact CD1-CG 3.97Å; F52-E62 HydrophobicContact CE1-CG 4.36Å; F52-E62 WeakPolarHBondContact O-CG 3.14Å; T53-E62 WeakPolarHBondContact CA-OE2 3.37Å; C54-E62 HydrophobicContact CB-CB 4.42Å; C54-E62 HydrophobicContact CB-CG 4.43Å; C54-E62 PolarHBondContact N-OE2 2.91Å; E62-V64 PolarHBondContact O-N 3.26Å; E62-C65 PolarHBondContact O-N 3.13Å; E62-Y66 WeakPolarHBondContact O-CB 3.44Å; E62-Y66 PolarHBondContact O-N 3.4Å
63	N	95.6	Very high	95.2	Very high	97 Å²	97	58 Å²	58	52%	0.519	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-43.3	177.3	-58.4	68.8	0	0	0	113.1	C61 D67	C61-N63 PolarHBondContact O-N 3.36Å; N63-D67 WeakPolarHBondContact O-CB 3.23Å; N63-D67 PolarHBondContact O-N 3.09Å; N63-D67 VanDerWaalsContact O-N 3.12Å
64	V	96.6	Very high	95	Very high	32 Å²	32	54.8 Å²	54.8	19%	0.194	30%	0.3	C	S	.	.	H	α-helix	trans	-76.4	-30.6	-179	-58.9	0	0	0	0	112.5	G60 C61 E62 E68 R195	G60-V64 PolarHBondContact O-N 3Å; C61-V64 WeakPolarHBondContact O-CG2 3.4Å; C61-V64 PolarHBondContact O-N 3.36Å; E62-V64 PolarHBondContact O-N 3.26Å; V64-E68 WeakPolarHBondContact O-CB 3.23Å; V64-E68 PolarHBondContact O-N 3.3Å; V64-R195 HydrophobicContact CB-CG 4.25Å; V64-R195 HydrophobicContact CG2-CB 4.37Å; V64-R195 HydrophobicContact CG2-CG 4.22Å; V64-R195 PolarHBondContact O-NH1 2.92Å
65	C	96.6	Very high	94.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-71.7	-36.6	174.2	-62.5	0	0	0	0	111.8	F52 C61 E62 E68 A69 C193 C198	F52-C65 HydrophobicContact CE1-CB 3.94Å; F52-C65 HydrophobicContact CZ-CB 4.03Å; C61-C65 PolarHBondContact O-N 3.46Å; C61-C65 PolarHBondContact O-SG 3.2Å; E62-C65 PolarHBondContact O-N 3.13Å; C65-E68 PolarHBondContact O-N 3.42Å; C65-A69 VanDerWaalsContact O-CB 3.29Å; C65-A69 WeakPolarHBondContact O-CB 3.28Å; C65-A69 PolarHBondContact O-N 3.05Å; C65-C193 WeakPolarHBondContact CA-SG 3.17Å; C65-C193 HydrophobicContact CB-CB 3.62Å; C65-C193 WeakPolarHBondContact CB-SG 3.2Å; C65-C193 WeakPolarHBondContact SG-CB 3.41Å; C65-C193 CovalentContact SG-SG 2.03Å; C65-C193 PolarHBondContact SG-SG 2.7Å; C65-C198 PolarHBondContact SG-SG 3.16Å
66	Y	95.2	Very high	94.5	Very high	24 Å²	24	56.8 Å²	56.8	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-48	172.2	177.5	-94.9	0	0	0	111.3	E48 Q49 F52 E62 E68 A69 F70	E48-Y66 VanDerWaalsContact CG-OH 3.27Å; E48-Y66 WeakPolarHBondContact CG-OH 3.45Å; E48-Y66 VanDerWaalsContact O-CE2 3.28Å; E48-Y66 WeakPolarHBondContact O-CE2 3.5Å; E48-Y66 PolarHBondContact OE1-OH 2.75Å; Q49-Y66 HydrophobicContact CB-CD2 4.47Å; Q49-Y66 HydrophobicContact CB-CE1 4.22Å; Q49-Y66 HydrophobicContact CB-CE2 4.06Å; Q49-Y66 HydrophobicContact CG-CD1 4.04Å; Q49-Y66 HydrophobicContact CG-CD2 4.36Å; Q49-Y66 HydrophobicContact CG-CE1 4.05Å; Q49-Y66 HydrophobicContact CG-CE2 4.38Å; Q49-Y66 HydrophobicContact CG-CG 4.22Å; F52-Y66 HydrophobicContact CB-CD2 4Å; F52-Y66 HydrophobicContact CD1-CD2 4.11Å; F52-Y66 HydrophobicContact CD1-CG 4.44Å; F52-Y66 HydrophobicContact CD2-CD2 4.27Å; F52-Y66 AromaticContact CG-CD2 3.87Å; F52-Y66 HydrophobicContact CG-CD2 3.87Å; E62-Y66 WeakPolarHBondContact O-CB 3.44Å; E62-Y66 PolarHBondContact O-N 3.4Å; Y66-E68 VanDerWaalsContact C-N 3.28Å; Y66-E68 PolarHBondContact O-N 3.45Å; Y66-A69 PolarHBondContact O-N 3.39Å; Y66-F70 AromaticContact CD2-CD2 3.92Å; Y66-F70 HydrophobicContact CD2-CD2 3.92Å; Y66-F70 HydrophobicContact CE2-CB 4.41Å; Y66-F70 AromaticContact CE2-CD2 3.74Å; Y66-F70 HydrophobicContact CE2-CD2 3.74Å; Y66-F70 HydrophobicContact CE2-CG 4.43Å; Y66-F70 PolarHBondContact O-N 3.06Å
67	D	95.2	Very high	94.4	Very high	79 Å²	79	55.6 Å²	55.6	42%	0.422	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-32.3	175.8	179.5	81.6	0	0	0	112.9	N63 P71 R195	N63-D67 WeakPolarHBondContact O-CB 3.23Å; N63-D67 PolarHBondContact O-N 3.09Å; N63-D67 VanDerWaalsContact O-N 3.12Å; D67-P71 WeakPolarHBondContact O-CA 3.43Å; D67-R195 IonicContact OD2-CZ 3.85Å; D67-R195 IonicContact OD2-NH1 2.69Å; D67-R195 PolarHBondContact OD2-NH1 3.34Å; D67-R195 IonicContact OD2-NH2 3.47Å; D67-R195 PolarHBondContact OD2-NH2 3.33Å
68	E	94.7	Very high	94.2	Very high	84 Å²	84	46.6 Å²	46.6	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-77.9	-36	177	-156.2	179.4	-167.7	0	0	112.8	V64 C65 Y66 Y191 R195	V64-E68 WeakPolarHBondContact O-CB 3.23Å; V64-E68 PolarHBondContact O-N 3.3Å; C65-E68 PolarHBondContact O-N 3.42Å; Y66-E68 VanDerWaalsContact C-N 3.28Å; Y66-E68 PolarHBondContact O-N 3.45Å; E68-Y191 WeakPolarHBondContact CB-OH 3.25Å; E68-Y191 VanDerWaalsContact CG-OH 3.24Å; E68-Y191 WeakPolarHBondContact CG-OH 3.46Å; E68-R195 VanDerWaalsContact N-NH1 3.19Å; E68-R195 WeakPolarHBondContact OE2-CB 3.43Å
69	A	93.3	Very high	94	Very high	14 Å²	14	44.7 Å²	44.7	12%	0.116	24%	0.24	C	C	.	.	H	α-helix	trans	-76.7	-33.5	177.3	0	0	0	0	0	112.9	F52 C65 Y66 Y191	F52-A69 HydrophobicContact CE2-CB 4.4Å; C65-A69 VanDerWaalsContact O-CB 3.29Å; C65-A69 WeakPolarHBondContact O-CB 3.28Å; C65-A69 PolarHBondContact O-N 3.05Å; Y66-A69 PolarHBondContact O-N 3.39Å; A69-Y191 HydrophobicContact CB-CD1 4.05Å; A69-Y191 HydrophobicContact CB-CD2 3.83Å; A69-Y191 HydrophobicContact CB-CE1 3.99Å; A69-Y191 HydrophobicContact CB-CE2 3.77Å; A69-Y191 HydrophobicContact CB-CG 3.97Å
70	F	94	Very high	93.9	Very high	19 Å²	19	43.1 Å²	43.1	8%	0.083	23%	0.226	C	C	.	.			trans	-136.3	63	-174	-55.1	-69.5	0	0	0	112.4	F52 Y66 I72 L187 I206	F52-F70 HydrophobicContact CD2-CE2 4.16Å; F52-F70 HydrophobicContact CE2-CE2 4.23Å; Y66-F70 AromaticContact CD2-CD2 3.92Å; Y66-F70 HydrophobicContact CD2-CD2 3.92Å; Y66-F70 HydrophobicContact CE2-CB 4.41Å; Y66-F70 AromaticContact CE2-CD2 3.74Å; Y66-F70 HydrophobicContact CE2-CD2 3.74Å; Y66-F70 HydrophobicContact CE2-CG 4.43Å; Y66-F70 PolarHBondContact O-N 3.06Å; F70-I72 CarbonylContact C-O 3.57Å; F70-I72 PolarHBondContact O-N 3.11Å; F70-L187 HydrophobicContact CE1-CD1 3.85Å; F70-L187 HydrophobicContact CE1-CD2 4.24Å; F70-L187 HydrophobicContact CZ-CD1 4.02Å; F70-L187 HydrophobicContact CZ-CD2 4.28Å; F70-I206 HydrophobicContact CE2-CD1 4.23Å; F70-I206 HydrophobicContact CE2-CG1 4.02Å; F70-I206 HydrophobicContact CE2-CG2 4.42Å; F70-I206 HydrophobicContact CZ-CD1 3.8Å; F70-I206 HydrophobicContact CZ-CG1 3.93Å; F70-I206 HydrophobicContact CZ-CG2 3.9Å
71	P	93.2	Very high	93.8	Very high	85 Å²	85	41.9 Å²	41.9	55%	0.552	21%	0.211	S	C	*	.	S	Bend	trans	-61	-19.6	-178.7	25.6	-36.1	0	0	0	113.5	D67	D67-P71 WeakPolarHBondContact O-CA 3.43Å
72	I	93.5	Very high	93.5	Very high	46 Å²	46	42 Å²	42	24%	0.236	21%	0.211	C	C	.	.	S	Bend	trans	-138.7	151	155.8	-176.5	173.3	0	0	0	106.8	F70 R76 L80 Y183	F70-I72 CarbonylContact C-O 3.57Å; F70-I72 PolarHBondContact O-N 3.11Å; I72-R76 HydrophobicContact CD1-CB 3.91Å; I72-R76 HydrophobicContact CG1-CB 3.7Å; I72-L80 HydrophobicContact CD1-CD1 3.84Å; I72-Y183 WeakPolarHBondContact CG2-OH 3.4Å; I72-Y183 PolarHBondContact O-OH 3.11Å
73	S	91.7	Very high	93.2	Very high	3 Å²	3	42 Å²	42	2%	0.021	21%	0.213	C	C	.	.			trans	-88.6	151.9	174.7	56.2	0	0	0	0	112.6	E48 I75 R76 F77	E48-S73 WeakPolarHBondContact OE1-CB 3.34Å; E48-S73 PolarHBondContact OE1-OG 3.49Å; E48-S73 WeakPolarHBondContact OE2-CB 3.25Å; S73-I75 VanDerWaalsContact C-N 3.27Å; S73-I75 PolarHBondContact O-N 3.15Å; S73-R76 WeakPolarHBondContact O-CB 3.34Å; S73-R76 PolarHBondContact O-N 3.2Å; S73-F77 PolarHBondContact O-N 3.23Å
74	H	90.9	Very high	93.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-54.9	-41.2	-173.8	-76.2	83.6	0	0	0	112.8	W45 R76 F77 W78 Q179 Y183 I216	W45-H74 HydrophobicContact CZ2-CB 3.9Å; H74-R76 PolarHBondContact O-N 2.96Å; H74-F77 WeakPolarHBondContact O-CB 3.49Å; H74-F77 PolarHBondContact O-N 2.89Å; H74-W78 HydrophobicContact CB-CH2 4.03Å; H74-W78 HydrophobicContact CB-CZ2 3.99Å; H74-W78 HydrophobicContact CB-CZ3 4.36Å; H74-W78 VanDerWaalsContact O-CD2 3.31Å; H74-W78 VanDerWaalsContact O-CG 3.29Å; H74-W78 PolarHBondContact O-N 2.9Å; H74-Q179 PolarHBondContact CD2-NE2 3.2Å; H74-Q179 PolarHBondContact NE2-NE2 3.31Å; H74-Q179 VanDerWaalsContact NE2-NE2 3.1Å; H74-Y183 AromaticContact CE1-CD1 3.4Å; H74-Y183 WeakPolarHBondContact CE1-CD1 3.24Å; H74-Y183 AromaticContact CE1-CD2 3.98Å; H74-Y183 AromaticContact CE1-CE1 3.75Å; H74-Y183 AromaticContact CE1-CG 3.5Å; H74-Y183 AromaticContact NE2-CD1 3.73Å; H74-Y183 AromaticContact NE2-CD2 3.46Å; H74-Y183 WeakPolarHBondContact NE2-CD2 3.46Å; H74-Y183 AromaticContact NE2-CE2 3.95Å; H74-Y183 AromaticContact NE2-CG 3.31Å; H74-Y183 VanDerWaalsContact NE2-CG 3.31Å; H74-I216 VanDerWaalsContact NE2-CD1 3.34Å; H74-I216 WeakPolarHBondContact NE2-CD1 3.37Å
75	I	90.7	Very high	92.9	Very high	24 Å²	24	40.3 Å²	40.3	12%	0.123	20%	0.199	C	C	.	.	H	α-helix	trans	-58.1	-47.8	174.7	-62.6	-58.9	0	0	0	111.5	L37 A41 W45 S73 F77 W78 V79	L37-I75 HydrophobicContact CD2-CB 4.45Å; L37-I75 HydrophobicContact CD2-CD1 3.83Å; L37-I75 HydrophobicContact CD2-CG2 3.9Å; A41-I75 HydrophobicContact CB-CD1 3.86Å; A41-I75 HydrophobicContact CB-CG1 4.13Å; A41-I75 HydrophobicContact CB-CG2 3.79Å; W45-I75 HydrophobicContact CB-CG1 3.78Å; W45-I75 HydrophobicContact CD2-CD1 3.91Å; W45-I75 HydrophobicContact CD2-CG1 3.73Å; W45-I75 HydrophobicContact CE3-CD1 3.5Å; W45-I75 VanDerWaalsContact CE3-CD1 3.5Å; W45-I75 HydrophobicContact CE3-CG1 3.84Å; W45-I75 HydrophobicContact CG-CD1 4.42Å; W45-I75 HydrophobicContact CG-CG1 3.73Å; W45-I75 HydrophobicContact CZ3-CD1 3.91Å; S73-I75 VanDerWaalsContact C-N 3.27Å; S73-I75 PolarHBondContact O-N 3.15Å; I75-F77 VanDerWaalsContact C-N 3.33Å; I75-F77 PolarHBondContact O-N 3.16Å; I75-W78 HydrophobicContact CD1-CE3 4.05Å; I75-W78 HydrophobicContact CD1-CZ3 4.01Å; I75-W78 PolarHBondContact O-N 3.01Å; I75-V79 VanDerWaalsContact O-CG2 3.31Å; I75-V79 WeakPolarHBondContact O-CG2 3.24Å; I75-V79 PolarHBondContact O-N 3.16Å
76	R	92.1	Very high	92.4	Very high	157 Å²	157	40.6 Å²	40.6	59%	0.592	20%	0.201	S	C	*	.	H	α-helix	trans	-64.9	-38.9	178.7	-63.7	175.7	-176.3	154.2	6.9	111.2	I72 S73 H74 V79 L80	I72-R76 HydrophobicContact CD1-CB 3.91Å; I72-R76 HydrophobicContact CG1-CB 3.7Å; S73-R76 WeakPolarHBondContact O-CB 3.34Å; S73-R76 PolarHBondContact O-N 3.2Å; H74-R76 PolarHBondContact O-N 2.96Å; R76-V79 PolarHBondContact O-N 3.12Å; R76-L80 WeakPolarHBondContact O-CG 3.41Å; R76-L80 PolarHBondContact O-N 3.19Å
77	F	93.4	Very high	92.1	Very high	16 Å²	16	42.1 Å²	42.1	7%	0.07	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-44.8	175.1	-172.8	-94.4	0	0	0	112.3	S73 H74 I75 L80 Q81 F175 Q179 L182	S73-F77 PolarHBondContact O-N 3.23Å; H74-F77 WeakPolarHBondContact O-CB 3.49Å; H74-F77 PolarHBondContact O-N 2.89Å; I75-F77 VanDerWaalsContact C-N 3.33Å; I75-F77 PolarHBondContact O-N 3.16Å; F77-L80 PolarHBondContact O-N 3.27Å; F77-Q81 PolarHBondContact O-N 3.04Å; F77-F175 HydrophobicContact CD1-CD1 4.28Å; F77-F175 HydrophobicContact CE1-CB 4.37Å; F77-F175 AromaticContact CE1-CD1 3.71Å; F77-F175 HydrophobicContact CE1-CD1 3.71Å; F77-F175 WeakPolarHBondContact CE1-O 3.31Å; F77-F175 AromaticContact CE2-CD1 3.98Å; F77-F175 HydrophobicContact CE2-CD1 3.98Å; F77-F175 HydrophobicContact CE2-CE1 4.27Å; F77-F175 HydrophobicContact CZ-CB 4.37Å; F77-F175 AromaticContact CZ-CD1 3.54Å; F77-F175 HydrophobicContact CZ-CD1 3.54Å; F77-F175 HydrophobicContact CZ-CE1 4.29Å; F77-F175 HydrophobicContact CZ-CG 4.39Å; F77-F175 WeakPolarHBondContact CZ-O 3.46Å; F77-Q179 HydrophobicContact CE1-CB 3.83Å; F77-Q179 HydrophobicContact CZ-CB 4.27Å; F77-L182 HydrophobicContact CD2-CD1 4.28Å; F77-L182 HydrophobicContact CE2-CD1 3.95Å
78	W	92.7	Very high	91.9	Very high	10 Å²	10	38.8 Å²	38.8	4%	0.038	20%	0.196	C	C	.	.	H	α-helix	trans	-71.8	-32.5	177.6	-58.7	-30.6	0	0	0	113.5	L37 W45 H74 I75 L80 Q81 I82 F215 I216 M219	L37-W78 HydrophobicContact CD1-CB 4.06Å; L37-W78 HydrophobicContact CD2-CB 4.24Å; L37-W78 HydrophobicContact CD2-CE3 4.27Å; L37-W78 HydrophobicContact CG-CB 4.49Å; W45-W78 AromaticContact CH2-CH2 3.48Å; W45-W78 HydrophobicContact CH2-CH2 3.48Å; W45-W78 VanDerWaalsContact CH2-CH2 3.48Å; W45-W78 AromaticContact CH2-CZ3 3.55Å; W45-W78 HydrophobicContact CH2-CZ3 3.55Å; W45-W78 AromaticContact CZ2-CH2 3.8Å; W45-W78 HydrophobicContact CZ2-CH2 3.8Å; W45-W78 HydrophobicContact CZ2-CZ3 4.07Å; W45-W78 HydrophobicContact CZ3-CH2 4.34Å; W45-W78 AromaticContact CZ3-CZ3 3.97Å; W45-W78 HydrophobicContact CZ3-CZ3 3.97Å; H74-W78 HydrophobicContact CB-CH2 4.03Å; H74-W78 HydrophobicContact CB-CZ2 3.99Å; H74-W78 HydrophobicContact CB-CZ3 4.36Å; H74-W78 VanDerWaalsContact O-CD2 3.31Å; H74-W78 VanDerWaalsContact O-CG 3.29Å; H74-W78 PolarHBondContact O-N 2.9Å; I75-W78 HydrophobicContact CD1-CE3 4.05Å; I75-W78 HydrophobicContact CD1-CZ3 4.01Å; I75-W78 PolarHBondContact O-N 3.01Å; W78-L80 VanDerWaalsContact C-N 3.34Å; W78-Q81 WeakPolarHBondContact O-CB 3.39Å; W78-Q81 PolarHBondContact O-N 3.2Å; W78-I82 WeakPolarHBondContact O-CB 3.4Å; W78-I82 WeakPolarHBondContact O-CG1 3.41Å; W78-I82 PolarHBondContact O-N 3.42Å; W78-F215 HydrophobicContact CH2-CB 4.34Å; W78-I216 HydrophobicContact CH2-CG1 4.04Å; W78-I216 HydrophobicContact CZ2-CB 4.38Å; W78-I216 HydrophobicContact CZ2-CG1 3.79Å; W78-M219 HydrophobicContact CB-CE 3.81Å; W78-M219 HydrophobicContact CD2-CB 4.38Å; W78-M219 HydrophobicContact CD2-CE 3.82Å; W78-M219 HydrophobicContact CD2-CG 4.08Å; W78-M219 HydrophobicContact CE3-CE 3.99Å; W78-M219 HydrophobicContact CE3-CG 4.06Å; W78-M219 HydrophobicContact CG-CE 3.74Å; W78-M219 HydrophobicContact CH2-CG 4.12Å; W78-M219 HydrophobicContact CZ2-CB 4.09Å; W78-M219 HydrophobicContact CZ2-CG 4.14Å; W78-M219 HydrophobicContact CZ3-CG 4.09Å
79	V	91.5	Very high	91.4	Very high	39 Å²	39	36.4 Å²	36.4	24%	0.236	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-45.5	169.9	166.1	0	0	0	0	110.5	W4 L37 I75 R76 I82 I83	W4-V79 HydrophobicContact CH2-CG1 4.18Å; W4-V79 HydrophobicContact CH2-CG2 4.04Å; W4-V79 HydrophobicContact CZ2-CG2 4.17Å; L37-V79 HydrophobicContact CD2-CG2 4.22Å; I75-V79 VanDerWaalsContact O-CG2 3.31Å; I75-V79 WeakPolarHBondContact O-CG2 3.24Å; I75-V79 PolarHBondContact O-N 3.16Å; R76-V79 PolarHBondContact O-N 3.12Å; V79-I82 PolarHBondContact O-N 2.97Å; V79-I83 HydrophobicContact CG1-CD1 3.94Å; V79-I83 WeakPolarHBondContact O-CG1 3.48Å; V79-I83 PolarHBondContact O-N 2.92Å
80	L	92.9	Very high	91	Very high	70 Å²	70	38.1 Å²	38.1	37%	0.366	19%	0.194	S	C	.	.	H	α-helix	trans	-62.3	-44.9	174.1	-68.6	171.5	0	0	0	111.6	I72 R76 F77 W78 I82 I83 F84 F175	I72-L80 HydrophobicContact CD1-CD1 3.84Å; R76-L80 WeakPolarHBondContact O-CG 3.41Å; R76-L80 PolarHBondContact O-N 3.19Å; F77-L80 PolarHBondContact O-N 3.27Å; W78-L80 VanDerWaalsContact C-N 3.34Å; L80-I82 VanDerWaalsContact C-N 3.31Å; L80-I82 PolarHBondContact O-N 2.99Å; L80-I83 PolarHBondContact O-N 2.89Å; L80-I83 VanDerWaalsContact O-N 3.16Å; L80-F84 WeakPolarHBondContact O-CD2 3.5Å; L80-F84 PolarHBondContact O-N 3.42Å; L80-F175 HydrophobicContact CB-CE1 3.95Å; L80-F175 HydrophobicContact CB-CZ 4.06Å
81	Q	93.5	Very high	90.8	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-54.6	-46.5	175.4	-175.9	179	2.2	0	0	111.6	F77 W78 I83 V85 E172 F175	F77-Q81 PolarHBondContact O-N 3.04Å; W78-Q81 WeakPolarHBondContact O-CB 3.39Å; W78-Q81 PolarHBondContact O-N 3.2Å; Q81-I83 PolarHBondContact O-N 2.85Å; Q81-V85 HydrophobicContact CG-CG2 4.23Å; Q81-V85 WeakPolarHBondContact O-CB 3.19Å; Q81-V85 WeakPolarHBondContact O-CG2 3.35Å; Q81-V85 PolarHBondContact O-N 3.37Å; Q81-E172 PolarHBondContact NE2-OE1 3.15Å; Q81-F175 HydrophobicContact CB-CB 4.14Å; Q81-F175 HydrophobicContact CB-CD1 3.55Å; Q81-F175 HydrophobicContact CB-CD2 4.19Å; Q81-F175 HydrophobicContact CB-CE1 3.99Å; Q81-F175 HydrophobicContact CB-CG 3.69Å; Q81-F175 HydrophobicContact CB-CZ 4.49Å; Q81-F175 HydrophobicContact CG-CB 3.67Å; Q81-F175 HydrophobicContact CG-CD1 4.08Å; Q81-F175 HydrophobicContact CG-CD2 4.13Å; Q81-F175 HydrophobicContact CG-CG 3.69Å
82	I	90.3	Very high	90.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-42.7	177.9	-77.6	-177.8	0	0	0	112	W4 F30 R33 I34 L37 W78 V79 L80 S86	W4-I82 HydrophobicContact CZ3-CG2 4.38Å; F30-I82 HydrophobicContact CE1-CG2 4.41Å; F30-I82 HydrophobicContact CE2-CB 4.46Å; F30-I82 HydrophobicContact CE2-CG2 3.79Å; F30-I82 HydrophobicContact CZ-CG2 3.53Å; R33-I82 HydrophobicContact CB-CD1 3.82Å; R33-I82 HydrophobicContact CB-CG1 4.43Å; I34-I82 HydrophobicContact CD1-CG2 4.44Å; I34-I82 HydrophobicContact CG1-CD1 3.88Å; I34-I82 HydrophobicContact CG1-CG2 4.41Å; L37-I82 HydrophobicContact CD1-CD1 3.31Å; L37-I82 HydrophobicContact CD1-CG1 4.42Å; W78-I82 WeakPolarHBondContact O-CB 3.4Å; W78-I82 WeakPolarHBondContact O-CG1 3.41Å; W78-I82 PolarHBondContact O-N 3.42Å; V79-I82 PolarHBondContact O-N 2.97Å; L80-I82 VanDerWaalsContact C-N 3.31Å; L80-I82 PolarHBondContact O-N 2.99Å; I82-S86 VanDerWaalsContact O-CB 3.27Å; I82-S86 WeakPolarHBondContact O-CB 3.29Å; I82-S86 PolarHBondContact O-N 3.25Å; I82-S86 PolarHBondContact O-OG 3.46Å
83	I	90.4	Very high	89.8	Confident	73 Å²	73	38.9 Å²	38.9	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-62.7	-57	177.2	-67.7	164.2	0	0	0	109.7	V79 L80 Q81 V85 S86 T87	V79-I83 HydrophobicContact CG1-CD1 3.94Å; V79-I83 WeakPolarHBondContact O-CG1 3.48Å; V79-I83 PolarHBondContact O-N 2.92Å; L80-I83 PolarHBondContact O-N 2.89Å; L80-I83 VanDerWaalsContact O-N 3.16Å; Q81-I83 PolarHBondContact O-N 2.85Å; I83-V85 PolarHBondContact O-N 3.07Å; I83-S86 PolarHBondContact O-N 3.34Å; I83-S86 VanDerWaalsContact O-N 3.15Å; I83-S86 PolarHBondContact O-OG 3.45Å; I83-T87 PolarHBondContact O-N 3.19Å; I83-T87 PolarHBondContact O-OG1 3.31Å
84	F	93.3	Very high	89.4	Confident	90 Å²	90	40.5 Å²	40.5	40%	0.395	21%	0.208	S	C	.	.	H	α-helix	trans	-62.8	-35.8	-178.2	-80.8	-79.5	0	0	0	113.8	L80 P88 F171 F175	L80-F84 WeakPolarHBondContact O-CD2 3.5Å; L80-F84 PolarHBondContact O-N 3.42Å; F84-P88 WeakPolarHBondContact O-CD 3.38Å; F84-F171 HydrophobicContact CB-CB 4.38Å; F84-F171 HydrophobicContact CB-CD1 4.35Å; F84-F171 HydrophobicContact CB-CD2 4.31Å; F84-F171 HydrophobicContact CB-CG 4.12Å; F84-F171 HydrophobicContact CD1-CD1 4.24Å; F84-F171 AromaticContact CD1-CE1 3.91Å; F84-F171 HydrophobicContact CD1-CE1 3.91Å; F84-F171 HydrophobicContact CD1-CE2 4.43Å; F84-F171 HydrophobicContact CD1-CZ 4.02Å; F84-F171 WeakPolarHBondContact O-CD2 3.49Å; F84-F175 HydrophobicContact CB-CE2 3.69Å; F84-F175 HydrophobicContact CB-CZ 4.3Å; F84-F175 AromaticContact CD2-CE2 3.91Å; F84-F175 HydrophobicContact CD2-CE2 3.91Å; F84-F175 AromaticContact CD2-CZ 3.7Å; F84-F175 HydrophobicContact CD2-CZ 3.7Å; F84-F175 HydrophobicContact CE2-CZ 4.43Å; F84-F175 AromaticContact CG-CE2 4Å; F84-F175 HydrophobicContact CG-CE2 4Å; F84-F175 HydrophobicContact CG-CZ 4.27Å
85	V	90.9	Very high	89.1	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-74.6	-27	177.4	171.4	0	0	0	0	112	Q81 I83 K168 F171 E172	Q81-V85 HydrophobicContact CG-CG2 4.23Å; Q81-V85 WeakPolarHBondContact O-CB 3.19Å; Q81-V85 WeakPolarHBondContact O-CG2 3.35Å; Q81-V85 PolarHBondContact O-N 3.37Å; I83-V85 PolarHBondContact O-N 3.07Å; V85-K168 HydrophobicContact CG1-CD 4.37Å; V85-K168 HydrophobicContact CG1-CG 3.89Å; V85-F171 HydrophobicContact CG2-CB 4.23Å; V85-E172 HydrophobicContact CG2-CB 4.43Å
86	S	87.3	Confident	88.7	Confident	5 Å²	5	42.9 Å²	42.9	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-85.8	-32.4	175.4	60	0	0	0	0	114	I82 I83 T89 L90	I82-S86 VanDerWaalsContact O-CB 3.27Å; I82-S86 WeakPolarHBondContact O-CB 3.29Å; I82-S86 PolarHBondContact O-N 3.25Å; I82-S86 PolarHBondContact O-OG 3.46Å; I83-S86 PolarHBondContact O-N 3.34Å; I83-S86 VanDerWaalsContact O-N 3.15Å; I83-S86 PolarHBondContact O-OG 3.45Å; S86-T89 WeakPolarHBondContact O-CA 3.12Å; S86-T89 VanDerWaalsContact O-CB 3.29Å; S86-T89 WeakPolarHBondContact O-CB 3.43Å; S86-T89 PolarHBondContact O-N 3.33Å; S86-L90 PolarHBondContact O-N 3.15Å
87	T	89.3	Confident	88.2	Confident	57 Å²	57	39.3 Å²	39.3	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-50.7	-48.1	-177.9	-65.5	0	0	0	0	114	I83 T89 L90 I91	I83-T87 PolarHBondContact O-N 3.19Å; I83-T87 PolarHBondContact O-OG1 3.31Å; T87-T89 PolarHBondContact O-N 3.01Å; T87-L90 PolarHBondContact O-N 2.93Å; T87-I91 HydrophobicContact CG2-CD1 3.76Å; T87-I91 HydrophobicContact CG2-CG1 4.41Å; T87-I91 WeakPolarHBondContact O-CG1 3.26Å; T87-I91 PolarHBondContact O-N 3.4Å
88	P	90.8	Very high	87.7	Confident	9 Å²	9	44.2 Å²	44.2	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-57.5	-31.5	174.8	-26.4	34.8	0	0	0	113.7	F84 Y92 N164 F167 F171	F84-P88 WeakPolarHBondContact O-CD 3.38Å; P88-Y92 WeakPolarHBondContact O-CB 3.35Å; P88-Y92 PolarHBondContact O-N 3.44Å; P88-N164 PolarHBondContact O-ND2 3.28Å; P88-F167 HydrophobicContact CB-CB 4.27Å; P88-F167 HydrophobicContact CG-CB 3.9Å; P88-F171 HydrophobicContact CG-CD2 3.99Å; P88-F171 HydrophobicContact CG-CE2 3.88Å
89	T	84.3	Confident	87.2	Confident	34 Å²	34	45.2 Å²	45.2	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-76.5	-39.6	-178.1	-51.5	0	0	0	0	110.9	S86 T87 Y92 L93 N164	S86-T89 WeakPolarHBondContact O-CA 3.12Å; S86-T89 VanDerWaalsContact O-CB 3.29Å; S86-T89 WeakPolarHBondContact O-CB 3.43Å; S86-T89 PolarHBondContact O-N 3.33Å; T87-T89 PolarHBondContact O-N 3.01Å; T89-Y92 PolarHBondContact O-N 3.05Å; T89-L93 WeakPolarHBondContact O-CB 3.15Å; T89-L93 PolarHBondContact O-N 3.21Å; T89-N164 VanDerWaalsContact CA-ND2 3.26Å; T89-N164 WeakPolarHBondContact CA-ND2 3.37Å; T89-N164 PolarHBondContact N-ND2 2.96Å
90	L	84.4	Confident	86.8	Confident	49 Å²	49	47 Å²	47	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-39.1	171.6	-61.6	176.2	0	0	0	111.8	L10 S86 T87 L93 G94	L10-L90 HydrophobicContact CB-CD2 4.01Å; S86-L90 PolarHBondContact O-N 3.15Å; T87-L90 PolarHBondContact O-N 2.93Å; L90-L93 PolarHBondContact O-N 3.44Å; L90-G94 PolarHBondContact O-N 3.29Å
91	I	88.8	Confident	86.3	Confident	115 Å²	115	50.9 Å²	50.9	59%	0.59	26%	0.261	S	S	*	.	H	α-helix	trans	-63.5	-45.3	174.3	-68	166.7	0	0	0	111	T87 G94 H95	T87-I91 HydrophobicContact CG2-CD1 3.76Å; T87-I91 HydrophobicContact CG2-CG1 4.41Å; T87-I91 WeakPolarHBondContact O-CG1 3.26Å; T87-I91 PolarHBondContact O-N 3.4Å; I91-G94 PolarHBondContact O-N 2.64Å; I91-H95 WeakPolarHBondContact O-CB 3.39Å; I91-H95 PolarHBondContact O-N 2.93Å
92	Y	84.9	Confident	85.9	Confident	36 Å²	36	55.6 Å²	55.6	14%	0.141	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-45.5	175.9	171.8	-110.6	0	0	0	112	P88 T89 H95 V96 Y161	P88-Y92 WeakPolarHBondContact O-CB 3.35Å; P88-Y92 PolarHBondContact O-N 3.44Å; T89-Y92 PolarHBondContact O-N 3.05Å; Y92-H95 PolarHBondContact O-N 3.02Å; Y92-V96 HydrophobicContact CD2-CG2 4.28Å; Y92-V96 HydrophobicContact CE1-CG2 4.09Å; Y92-V96 HydrophobicContact CE2-CG2 3.76Å; Y92-V96 WeakPolarHBondContact O-CG2 3.26Å; Y92-V96 PolarHBondContact O-N 3.21Å; Y92-Y161 HydrophobicContact CD1-CD2 4.49Å; Y92-Y161 HydrophobicContact CE1-CD2 4.04Å; Y92-Y161 HydrophobicContact CE2-CD2 4.12Å; Y92-Y161 HydrophobicContact CE2-CG 4.32Å; Y92-Y161 AromaticContact CZ-CD2 3.85Å
93	L	80.9	Confident	85.7	Confident	15 Å²	15	58.7 Å²	58.7	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-60.4	-47.6	175.4	-180	64.3	0	0	0	111.6	A14 T89 L90 H95 V96 L97	A14-L93 HydrophobicContact CB-CD1 4.3Å; A14-L93 HydrophobicContact CB-CD2 3.74Å; A14-L93 HydrophobicContact CB-CG 4.4Å; T89-L93 WeakPolarHBondContact O-CB 3.15Å; T89-L93 PolarHBondContact O-N 3.21Å; L90-L93 PolarHBondContact O-N 3.44Å; L93-H95 PolarHBondContact O-N 3.01Å; L93-V96 PolarHBondContact O-N 3.49Å; L93-V96 VanDerWaalsContact O-N 3.09Å; L93-L97 HydrophobicContact CD1-CD1 4.02Å; L93-L97 HydrophobicContact CD1-CD2 4.44Å; L93-L97 HydrophobicContact CD1-CG 3.94Å; L93-L97 HydrophobicContact CD2-CD1 4.18Å; L93-L97 HydrophobicContact CG-CD1 3.77Å; L93-L97 HydrophobicContact CG-CG 4.12Å; L93-L97 WeakPolarHBondContact O-CG 3.02Å; L93-L97 PolarHBondContact O-N 2.8Å
94	G	83.6	Confident	85.4	Confident	38 Å²	38	59.7 Å²	59.7	39%	0.392	30%	0.302	S	S	.	.	H	α-helix	trans	-57	-39.5	177.7	0	0	0	0	0	112.3	L90 I91 H98	L90-G94 PolarHBondContact O-N 3.29Å; I91-G94 PolarHBondContact O-N 2.64Å; G94-H98 WeakPolarHBondContact O-CB 3.3Å; G94-H98 PolarHBondContact O-N 3.47Å
95	H	84.8	Confident	85.2	Confident	61 Å²	61	60.2 Å²	60.2	28%	0.282	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-42.1	174	-177.6	-115.2	0	0	0	112.9	I91 Y92 L93 I99 T160	I91-H95 WeakPolarHBondContact O-CB 3.39Å; I91-H95 PolarHBondContact O-N 2.93Å; Y92-H95 PolarHBondContact O-N 3.02Å; L93-H95 PolarHBondContact O-N 3.01Å; H95-I99 WeakPolarHBondContact CE1-CD1 3.46Å; H95-I99 WeakPolarHBondContact O-CG1 3.2Å; H95-I99 PolarHBondContact O-N 3.33Å; H95-T160 WeakPolarHBondContact CE1-CG2 3.46Å; H95-T160 PolarHBondContact CE1-OG1 3.49Å; H95-T160 WeakPolarHBondContact ND1-CG2 3.37Å; H95-T160 PolarHBondContact ND1-OG1 2.93Å
96	V	82.8	Confident	85	Confident	12 Å²	12	68 Å²	68	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-53.3	174.3	171.3	0	0	0	0	110.9	Y92 L93 H98 I99 V100 L157	Y92-V96 HydrophobicContact CD2-CG2 4.28Å; Y92-V96 HydrophobicContact CE1-CG2 4.09Å; Y92-V96 HydrophobicContact CE2-CG2 3.76Å; Y92-V96 WeakPolarHBondContact O-CG2 3.26Å; Y92-V96 PolarHBondContact O-N 3.21Å; L93-V96 PolarHBondContact O-N 3.49Å; L93-V96 VanDerWaalsContact O-N 3.09Å; V96-H98 VanDerWaalsContact C-N 3.32Å; V96-H98 PolarHBondContact O-N 3.38Å; V96-I99 PolarHBondContact O-N 3.42Å; V96-I99 VanDerWaalsContact O-N 3.16Å; V96-V100 HydrophobicContact CG1-CG2 4.45Å; V96-V100 WeakPolarHBondContact O-CG2 3.29Å; V96-V100 PolarHBondContact O-N 3.34Å; V96-L157 HydrophobicContact CG2-CD2 3.92Å
97	L	80.7	Confident	85.1	Confident	83 Å²	83	73.4 Å²	73.4	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-39.3	-179.4	-66.9	176	0	0	0	111.9	L93 V100 R101	L93-L97 HydrophobicContact CD1-CD1 4.02Å; L93-L97 HydrophobicContact CD1-CD2 4.44Å; L93-L97 HydrophobicContact CD1-CG 3.94Å; L93-L97 HydrophobicContact CD2-CD1 4.18Å; L93-L97 HydrophobicContact CG-CD1 3.77Å; L93-L97 HydrophobicContact CG-CG 4.12Å; L93-L97 WeakPolarHBondContact O-CG 3.02Å; L93-L97 PolarHBondContact O-N 2.8Å; L97-V100 PolarHBondContact O-N 3.2Å; L97-R101 VanDerWaalsContact O-CB 3.24Å; L97-R101 WeakPolarHBondContact O-CB 3.48Å; L97-R101 PolarHBondContact O-N 3.42Å
98	H	83.1	Confident	85.1	Confident	119 Å²	119	75.8 Å²	75.8	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-62.2	-44.4	174.1	179.4	-93.3	0	0	0	112	G94 V96 M102	G94-H98 WeakPolarHBondContact O-CB 3.3Å; G94-H98 PolarHBondContact O-N 3.47Å; V96-H98 VanDerWaalsContact C-N 3.32Å; V96-H98 PolarHBondContact O-N 3.38Å; H98-M102 WeakPolarHBondContact O-CB 3.31Å; H98-M102 VanDerWaalsContact O-CG 3.22Å; H98-M102 WeakPolarHBondContact O-CG 3.47Å; H98-M102 PolarHBondContact O-N 2.92Å
99	I	83.6	Confident	85	Confident	30 Å²	30	82 Å²	82	15%	0.154	39%	0.389	C	S	.	.	H	α-helix	trans	-63.2	-48.1	176	-76.2	170.7	0	0	0	111.1	H95 V96 R101 M102 E103 I153 L157	H95-I99 WeakPolarHBondContact CE1-CD1 3.46Å; H95-I99 WeakPolarHBondContact O-CG1 3.2Å; H95-I99 PolarHBondContact O-N 3.33Å; V96-I99 PolarHBondContact O-N 3.42Å; V96-I99 VanDerWaalsContact O-N 3.16Å; I99-R101 PolarHBondContact O-N 2.92Å; I99-M102 PolarHBondContact O-N 2.88Å; I99-M102 VanDerWaalsContact O-N 3.15Å; I99-E103 PolarHBondContact O-N 3.06Å; I99-I153 HydrophobicContact CG2-CG2 3.94Å; I99-L157 HydrophobicContact CD1-CD2 3.66Å; I99-L157 HydrophobicContact CD1-CG 4.25Å
100	V	81.4	Confident	85.2	Confident	76 Å²	76	82.9 Å²	82.9	46%	0.461	39%	0.391	S	S	.	.	H	α-helix	trans	-58.1	-47.7	179.3	172	0	0	0	0	110.9	V96 L97 M102 E103 E104	V96-V100 HydrophobicContact CG1-CG2 4.45Å; V96-V100 WeakPolarHBondContact O-CG2 3.29Å; V96-V100 PolarHBondContact O-N 3.34Å; L97-V100 PolarHBondContact O-N 3.2Å; V100-M102 VanDerWaalsContact C-N 3.3Å; V100-M102 PolarHBondContact O-N 2.87Å; V100-E103 PolarHBondContact O-N 3.25Å; V100-E104 WeakPolarHBondContact O-CB 3.33Å; V100-E104 PolarHBondContact O-N 3Å
101	R	83.9	Confident	85.4	Confident	153 Å²	153	85.5 Å²	85.5	58%	0.577	40%	0.402	S	S	*	.	H	α-helix	trans	-65.9	-27.9	178.3	-171.8	167.3	-174.5	72.7	-11.4	113.7	L97 I99 K105	L97-R101 VanDerWaalsContact O-CB 3.24Å; L97-R101 WeakPolarHBondContact O-CB 3.48Å; L97-R101 PolarHBondContact O-N 3.42Å; I99-R101 PolarHBondContact O-N 2.92Å; R101-K105 WeakPolarHBondContact O-CG 3.26Å; R101-K105 PolarHBondContact O-N 3.4Å
102	M	84.6	Confident	85.4	Confident	107 Å²	107	86 Å²	86	53%	0.527	40%	0.402	S	S	.	.	H	α-helix	trans	-80.4	-32.4	173.4	-74.6	-65.6	-69.1	0	0	112.5	H98 I99 V100 R106	H98-M102 WeakPolarHBondContact O-CB 3.31Å; H98-M102 VanDerWaalsContact O-CG 3.22Å; H98-M102 WeakPolarHBondContact O-CG 3.47Å; H98-M102 PolarHBondContact O-N 2.92Å; I99-M102 PolarHBondContact O-N 2.88Å; I99-M102 VanDerWaalsContact O-N 3.15Å; V100-M102 VanDerWaalsContact C-N 3.3Å; V100-M102 PolarHBondContact O-N 2.87Å; M102-R106 WeakPolarHBondContact O-CB 3.3Å; M102-R106 PolarHBondContact O-N 3.39Å; M102-R106 VanDerWaalsContact O-N 3.13Å
103	E	85.1	Confident	85.4	Confident	67 Å²	67	90.1 Å²	90.1	31%	0.313	42%	0.424	S	S	.	.	H	α-helix	trans	-70.4	-39.9	171.8	-77.9	-169.2	-158	0	0	112.4	I99 V100 R106 K107 I153	I99-E103 PolarHBondContact O-N 3.06Å; V100-E103 PolarHBondContact O-N 3.25Å; E103-R106 PolarHBondContact O-N 3.28Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.47Å; E103-K107 PolarHBondContact O-N 2.97Å; E103-K107 IonicContact OE2-NZ 2.67Å; E103-I153 WeakPolarHBondContact OE1-CD1 3.23Å; E103-I153 WeakPolarHBondContact OE1-CG1 3.39Å
104	E	84.9	Confident	85.7	Confident	94 Å²	94	96.1 Å²	96.1	44%	0.439	45%	0.445	S	S	.	.	H	α-helix	trans	-55.2	-57.7	172.7	-177.2	173.2	-123.7	0	0	110.7	V100 R106 K107 E108	V100-E104 WeakPolarHBondContact O-CB 3.33Å; V100-E104 PolarHBondContact O-N 3Å; E104-R106 PolarHBondContact O-N 3Å; E104-R106 VanDerWaalsContact O-N 3.08Å; E104-K107 WeakPolarHBondContact O-CB 3.3Å; E104-K107 PolarHBondContact O-N 3.41Å; E104-E108 WeakPolarHBondContact O-CG 3.42Å; E104-E108 PolarHBondContact O-N 3.09Å
105	K	89.4	Confident	85.9	Confident	100 Å²	100	99 Å²	99	44%	0.435	45%	0.447	S	S	.	.	H	α-helix	trans	-58.6	-22.8	174.4	-72.6	-179.4	174.3	-169.3	0	115.1	R101 E108 K109	R101-K105 WeakPolarHBondContact O-CG 3.26Å; R101-K105 PolarHBondContact O-N 3.4Å; K105-E108 WeakPolarHBondContact CA-OE2 3.36Å; K105-K109 WeakPolarHBondContact O-CG 3.41Å
106	R	87.6	Confident	86	Confident	168 Å²	168	98.6 Å²	98.6	63%	0.634	46%	0.455	S	S	*	.	H	α-helix	trans	-81.7	-35.8	174.5	-175.4	174.2	175	-76.6	-9.3	111.6	M102 E103 E104 E110	M102-R106 WeakPolarHBondContact O-CB 3.3Å; M102-R106 PolarHBondContact O-N 3.39Å; M102-R106 VanDerWaalsContact O-N 3.13Å; E103-R106 PolarHBondContact O-N 3.28Å; E104-R106 PolarHBondContact O-N 3Å; E104-R106 VanDerWaalsContact O-N 3.08Å; R106-E110 IonicContact NH1-OE2 2.77Å; R106-E110 WeakPolarHBondContact O-CB 3.32Å; R106-E110 PolarHBondContact O-N 3.3Å
107	K	87.9	Confident	86	Confident	118 Å²	118	103 Å²	103	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-66.5	-46.1	174.1	-68.9	160.7	-170.1	165.9	0	110.8	E103 E104 K109 E110 E111	E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.47Å; E103-K107 PolarHBondContact O-N 2.97Å; E103-K107 IonicContact OE2-NZ 2.67Å; E104-K107 WeakPolarHBondContact O-CB 3.3Å; E104-K107 PolarHBondContact O-N 3.41Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 2.92Å; K107-E110 PolarHBondContact O-N 2.87Å; K107-E110 VanDerWaalsContact O-N 3.11Å; K107-E111 PolarHBondContact O-N 2.84Å
108	E	89.9	Confident	86	Confident	107 Å²	107	106.5 Å²	106.5	50%	0.5	49%	0.485	S	S	.	.	H	α-helix	trans	-49	-54.3	173.8	-68.9	173.5	157.9	0	0	111.2	E104 K105 E110 E111 E112	E104-E108 WeakPolarHBondContact O-CG 3.42Å; E104-E108 PolarHBondContact O-N 3.09Å; K105-E108 WeakPolarHBondContact CA-OE2 3.36Å; E108-E110 PolarHBondContact O-N 2.84Å; E108-E111 WeakPolarHBondContact O-CB 3.02Å; E108-E111 PolarHBondContact O-N 3.42Å; E108-E112 WeakPolarHBondContact O-CG 3.36Å; E108-E112 PolarHBondContact O-N 3Å
109	K	88.6	Confident	85.8	Confident	139 Å²	139	107.8 Å²	107.8	60%	0.604	49%	0.489	S	S	*	.	H	α-helix	trans	-66.1	-34.4	178.9	-70.4	-177.4	176.3	-167.4	0	114.1	K105 K107 E111 E112 M113	K105-K109 WeakPolarHBondContact O-CG 3.41Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 2.92Å; K109-E111 VanDerWaalsContact C-N 3.32Å; K109-E112 PolarHBondContact O-N 3.1Å; K109-M113 WeakPolarHBondContact O-CG 3.38Å; K109-M113 PolarHBondContact O-N 3.42Å
110	E	88.6	Confident	85.4	Confident	54 Å²	54	112.8 Å²	112.8	25%	0.252	51%	0.512	S	S	.	.	H	α-helix	trans	-68.5	-34.7	174.9	-159	-179.6	136.1	0	0	110.9	R106 K107 E108 R114	R106-E110 IonicContact NH1-OE2 2.77Å; R106-E110 WeakPolarHBondContact O-CB 3.32Å; R106-E110 PolarHBondContact O-N 3.3Å; K107-E110 PolarHBondContact O-N 2.87Å; K107-E110 VanDerWaalsContact O-N 3.11Å; E108-E110 PolarHBondContact O-N 2.84Å; E110-R114 WeakPolarHBondContact O-CB 3.2Å; E110-R114 WeakPolarHBondContact O-CD 3.05Å; E110-R114 WeakPolarHBondContact O-CG 3.21Å; E110-R114 PolarHBondContact O-N 3.4Å; E110-R114 IonicContact OE1-CZ 2.7Å; E110-R114 IonicContact OE1-NE 2.74Å; E110-R114 PolarHBondContact OE1-NE 2.95Å; E110-R114 IonicContact OE1-NH2 3.18Å; E110-R114 PolarHBondContact OE1-NH2 3.27Å
111	E	89.1	Confident	85	Confident	104 Å²	104	115.2 Å²	115.2	49%	0.486	52%	0.518	S	S	.	.	H	α-helix	trans	-71.4	-38.4	172.1	-73.3	-172.5	-157.7	0	0	113.6	K107 E108 K109 R114 K115	K107-E111 PolarHBondContact O-N 2.84Å; E108-E111 WeakPolarHBondContact O-CB 3.02Å; E108-E111 PolarHBondContact O-N 3.42Å; K109-E111 VanDerWaalsContact C-N 3.32Å; E111-R114 PolarHBondContact O-N 3.41Å; E111-K115 WeakPolarHBondContact O-CB 3.34Å; E111-K115 WeakPolarHBondContact O-CD 2.91Å; E111-K115 VanDerWaalsContact O-CG 3.25Å; E111-K115 WeakPolarHBondContact O-CG 3.27Å; E111-K115 PolarHBondContact O-N 3.05Å; E111-K115 IonicContact OE2-NZ 3.38Å
112	E	88.3	Confident	84.5	Confident	125 Å²	125	113.6 Å²	113.6	58%	0.584	52%	0.517	S	S	*	.	H	α-helix	trans	-60.1	-47.7	171.9	-73.3	-177.6	143.1	0	0	111.3	E108 K109 R114 K115 A116	E108-E112 WeakPolarHBondContact O-CG 3.36Å; E108-E112 PolarHBondContact O-N 3Å; K109-E112 PolarHBondContact O-N 3.1Å; E112-R114 VanDerWaalsContact C-N 3.35Å; E112-R114 PolarHBondContact O-N 3.38Å; E112-K115 WeakPolarHBondContact O-CB 3.12Å; E112-K115 PolarHBondContact O-N 3.22Å; E112-K115 VanDerWaalsContact O-N 3.16Å; E112-A116 WeakPolarHBondContact O-CB 3.33Å; E112-A116 PolarHBondContact O-N 3.32Å
113	M	84.7	Confident	83.7	Confident	123 Å²	123	115.4 Å²	115.4	61%	0.606	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-37.6	175.1	-70.5	-166.1	-58.4	0	0	112.4	K109 K115 A116 N117	K109-M113 WeakPolarHBondContact O-CG 3.38Å; K109-M113 PolarHBondContact O-N 3.42Å; M113-K115 VanDerWaalsContact C-N 3.33Å; M113-K115 PolarHBondContact O-N 2.8Å; M113-A116 PolarHBondContact O-N 3.45Å; M113-N117 WeakPolarHBondContact O-CB 3.1Å; M113-N117 PolarHBondContact O-N 3.46Å; M113-N117 PolarHBondContact O-OD1 2.89Å
114	R	86.4	Confident	82.9	Confident	140 Å²	140	118.3 Å²	118.3	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-65.7	-33	173.4	-73.2	166	-176.1	-150.7	8.2	112.7	E110 E111 E112 R118	E110-R114 WeakPolarHBondContact O-CB 3.2Å; E110-R114 WeakPolarHBondContact O-CD 3.05Å; E110-R114 WeakPolarHBondContact O-CG 3.21Å; E110-R114 PolarHBondContact O-N 3.4Å; E110-R114 IonicContact OE1-CZ 2.7Å; E110-R114 IonicContact OE1-NE 2.74Å; E110-R114 PolarHBondContact OE1-NE 2.95Å; E110-R114 IonicContact OE1-NH2 3.18Å; E110-R114 PolarHBondContact OE1-NH2 3.27Å; E111-R114 PolarHBondContact O-N 3.41Å; E112-R114 VanDerWaalsContact C-N 3.35Å; E112-R114 PolarHBondContact O-N 3.38Å; R114-R118 PolarHBondContact O-N 3.49Å
115	K	88.2	Confident	82.1	Confident	98 Å²	98	119.8 Å²	119.8	43%	0.426	55%	0.546	S	S	.	.	H	α-helix	trans	-69.2	-48.5	172.7	-71.2	158.4	-172.3	161.3	0	110.2	E111 E112 M113 N117 R118 F119	E111-K115 WeakPolarHBondContact O-CB 3.34Å; E111-K115 WeakPolarHBondContact O-CD 2.91Å; E111-K115 VanDerWaalsContact O-CG 3.25Å; E111-K115 WeakPolarHBondContact O-CG 3.27Å; E111-K115 PolarHBondContact O-N 3.05Å; E111-K115 IonicContact OE2-NZ 3.38Å; E112-K115 WeakPolarHBondContact O-CB 3.12Å; E112-K115 PolarHBondContact O-N 3.22Å; E112-K115 VanDerWaalsContact O-N 3.16Å; M113-K115 VanDerWaalsContact C-N 3.33Å; M113-K115 PolarHBondContact O-N 2.8Å; K115-N117 PolarHBondContact O-N 2.72Å; K115-R118 PolarHBondContact O-N 3.04Å; K115-F119 VanDerWaalsContact O-CD2 3.26Å; K115-F119 WeakPolarHBondContact O-CD2 3.39Å; K115-F119 PolarHBondContact O-N 2.9Å
116	A	86.6	Confident	80.9	Confident	54 Å²	54	121.7 Å²	121.7	45%	0.446	56%	0.56	S	S	.	*	H	α-helix	trans	-59.3	-45.9	178.2	0	0	0	0	0	112.7	E112 M113 R118 F119 Q120	E112-A116 WeakPolarHBondContact O-CB 3.33Å; E112-A116 PolarHBondContact O-N 3.32Å; M113-A116 PolarHBondContact O-N 3.45Å; A116-R118 VanDerWaalsContact C-N 3.32Å; A116-R118 PolarHBondContact O-N 3.19Å; A116-F119 PolarHBondContact O-N 3.39Å; A116-Q120 PolarHBondContact O-N 3.27Å
117	N	82.9	Confident	79.5	Confident	105 Å²	105	122.6 Å²	122.6	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-61.2	-37.7	178.6	-78.5	17	0	0	0	112.7	M113 K115 Q120 E121	M113-N117 WeakPolarHBondContact O-CB 3.1Å; M113-N117 PolarHBondContact O-N 3.46Å; M113-N117 PolarHBondContact O-OD1 2.89Å; K115-N117 PolarHBondContact O-N 2.72Å; N117-Q120 WeakPolarHBondContact O-CB 3.48Å; N117-Q120 PolarHBondContact O-N 2.93Å; N117-Q120 VanDerWaalsContact O-N 3.17Å; N117-E121 PolarHBondContact O-N 2.89Å
118	R	82.3	Confident	78	Confident	155 Å²	155	126.1 Å²	126.1	59%	0.585	58%	0.575	S	S	*	*	H	α-helix	trans	-66.4	-41.1	176.2	-73.3	-173.5	-60.1	-142.5	2	112.5	R114 K115 A116 Q120 E121 E122	R114-R118 PolarHBondContact O-N 3.49Å; K115-R118 PolarHBondContact O-N 3.04Å; A116-R118 VanDerWaalsContact C-N 3.32Å; A116-R118 PolarHBondContact O-N 3.19Å; R118-Q120 PolarHBondContact O-N 3.21Å; R118-E121 PolarHBondContact O-N 2.97Å; R118-E122 WeakPolarHBondContact O-CB 3.36Å; R118-E122 PolarHBondContact O-N 3.07Å
119	F	78.1	Confident	76.4	Confident	146 Å²	146	128.9 Å²	128.9	64%	0.64	59%	0.593	S	S	*	*	H	α-helix	trans	-64.3	-29.5	172.2	-73.4	-61.7	0	0	0	112.4	K115 A116 K123	K115-F119 VanDerWaalsContact O-CD2 3.26Å; K115-F119 WeakPolarHBondContact O-CD2 3.39Å; K115-F119 PolarHBondContact O-N 2.9Å; A116-F119 PolarHBondContact O-N 3.39Å; F119-K123 VanDerWaalsContact O-CB 3.28Å; F119-K123 WeakPolarHBondContact O-CB 3.39Å; F119-K123 PolarHBondContact O-N 3.18Å
120	Q	74.9	Confident	74.8	Confident	135 Å²	135	125.4 Å²	125.4	63%	0.631	60%	0.597	S	S	*	*	H	α-helix	trans	-71.7	-45.5	173.6	-170.1	108.3	-8.7	0	0	111.7	A116 N117 R118 K123 E124	A116-Q120 PolarHBondContact O-N 3.27Å; N117-Q120 WeakPolarHBondContact O-CB 3.48Å; N117-Q120 PolarHBondContact O-N 2.93Å; N117-Q120 VanDerWaalsContact O-N 3.17Å; R118-Q120 PolarHBondContact O-N 3.21Å; Q120-K123 PolarHBondContact O-N 2.86Å; Q120-E124 PolarHBondContact O-N 2.85Å
121	E	73.8	Confident	72.6	Confident	128 Å²	128	126.8 Å²	126.8	60%	0.598	63%	0.625	S	S	*	*	H	α-helix	trans	-61.8	-44.8	176.1	-74	179.8	123.2	0	0	111.8	N117 R118 K123 E124 L125	N117-E121 PolarHBondContact O-N 2.89Å; R118-E121 PolarHBondContact O-N 2.97Å; E121-K123 VanDerWaalsContact C-N 3.27Å; E121-K123 PolarHBondContact O-N 3.25Å; E121-E124 PolarHBondContact O-N 2.92Å; E121-L125 WeakPolarHBondContact O-CB 3.28Å; E121-L125 VanDerWaalsContact O-CG 3.29Å; E121-L125 WeakPolarHBondContact O-CG 3.46Å; E121-L125 PolarHBondContact O-N 3.23Å
122	E	71.9	Confident	70.6	Confident	119 Å²	119	129.6 Å²	129.6	56%	0.556	64%	0.644	S	S	*	*	H	α-helix	trans	-57.9	-40.3	174.8	-174.7	176.9	-170.4	0	0	111.8	R118 L125 L126	R118-E122 WeakPolarHBondContact O-CB 3.36Å; R118-E122 PolarHBondContact O-N 3.07Å; E122-L125 PolarHBondContact O-N 3.43Å; E122-L126 PolarHBondContact O-N 3.36Å; E122-L126 VanDerWaalsContact O-N 3.14Å
123	K	69.3	Low	68.5	Low	144 Å²	144	127.7 Å²	127.7	63%	0.626	65%	0.649	S	S	*	*	H	α-helix	trans	-73.7	-34.1	178.9	-167.9	174.6	-178	-179.4	0	113.5	F119 Q120 E121 Y127	F119-K123 VanDerWaalsContact O-CB 3.28Å; F119-K123 WeakPolarHBondContact O-CB 3.39Å; F119-K123 PolarHBondContact O-N 3.18Å; Q120-K123 PolarHBondContact O-N 2.86Å; E121-K123 VanDerWaalsContact C-N 3.27Å; E121-K123 PolarHBondContact O-N 3.25Å; K123-Y127 PolarHBondContact O-N 2.93Å
124	E	67.1	Low	66.6	Low	129 Å²	129	126 Å²	126	60%	0.603	66%	0.663	S	S	*	*	H	α-helix	trans	-68.1	-41.5	170.3	-82.4	-142.5	155.5	0	0	112	Q120 E121 L126 Y127 R128	Q120-E124 PolarHBondContact O-N 2.85Å; E121-E124 PolarHBondContact O-N 2.92Å; E124-L126 VanDerWaalsContact C-N 3.27Å; E124-L126 PolarHBondContact O-N 3.44Å; E124-Y127 CarbonylContact O-C 3.59Å; E124-Y127 PolarHBondContact O-N 3.36Å; E124-R128 PolarHBondContact O-N 3.41Å
125	L	67.6	Low	64.3	Low	125 Å²	125	123 Å²	123	65%	0.654	68%	0.676	S	S	*	*	H	α-helix	trans	-60.7	-37.8	177.7	-73.1	167.7	0	0	0	111.6	E121 E122 Y127 R128	E121-L125 WeakPolarHBondContact O-CB 3.28Å; E121-L125 VanDerWaalsContact O-CG 3.29Å; E121-L125 WeakPolarHBondContact O-CG 3.46Å; E121-L125 PolarHBondContact O-N 3.23Å; E122-L125 PolarHBondContact O-N 3.43Å; L125-Y127 VanDerWaalsContact C-N 3.32Å; L125-Y127 PolarHBondContact O-N 2.91Å; L125-R128 PolarHBondContact O-N 3.08Å
126	L	65.9	Low	62	Low	139 Å²	139	124.2 Å²	124.2	73%	0.728	70%	0.697	S	S	*	*	H	α-helix	trans	-64.2	-30.6	171.7	-97	164.1	0	0	0	114	E122 E124	E122-L126 PolarHBondContact O-N 3.36Å; E122-L126 VanDerWaalsContact O-N 3.14Å; E124-L126 VanDerWaalsContact C-N 3.27Å; E124-L126 PolarHBondContact O-N 3.44Å
127	Y	58	Low	59.8	Low	188 Å²	188	124.8 Å²	124.8	74%	0.737	71%	0.708	S	S	*	*	H	α-helix	trans	-86.2	-18.8	178	-103.1	-95.8	0	0	0	114	K123 E124 L125 N129	K123-Y127 PolarHBondContact O-N 2.93Å; E124-Y127 CarbonylContact O-C 3.59Å; E124-Y127 PolarHBondContact O-N 3.36Å; L125-Y127 VanDerWaalsContact C-N 3.32Å; L125-Y127 PolarHBondContact O-N 2.91Å; Y127-N129 PolarHBondContact O-N 3.44Å
128	R	55.8	Low	57.7	Low	192 Å²	192	129.4 Å²	129.4	73%	0.725	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-12.7	-174.8	-156.7	74.3	108.2	80.4	6.7	114.5	E124 L125 G130	E124-R128 PolarHBondContact O-N 3.41Å; L125-R128 PolarHBondContact O-N 3.08Å; R128-G130 PolarHBondContact O-N 3.42Å
129	N	56.1	Low	55.7	Low	164 Å²	164	131.6 Å²	131.6	88%	0.877	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	18.3	-175.4	-94.1	-2.7	0	0	0	115.4	Y127	Y127-N129 PolarHBondContact O-N 3.44Å
130	G	55.1	Low	53.9	Low	67 Å²	67	133.7 Å²	133.7	69%	0.691	75%	0.749	S	S	*	*	S	Bend	trans	-162.5	109	173.2	0	0	0	0	0	114.1	R128	R128-G130 PolarHBondContact O-N 3.42Å
131	G	42.8	Very low	52.2	Low	82 Å²	82	136.1 Å²	136.1	85%	0.845	76%	0.757	S	S	*	*			trans	124.1	138.8	172.4	0	0	0	0	0	113.9
132	D	46.3	Very low	51	Low	164 Å²	164	135.6 Å²	135.6	88%	0.877	77%	0.765	S	S	*	*			trans	-110.7	167.5	-178.7	-174.4	31.1	0	0	0	112
133	A	45.3	Very low	49.7	Very low	84 Å²	84	135.6 Å²	135.6	69%	0.694	78%	0.776	S	S	*	*			trans	69.8	112.3	160.5	0	0	0	0	0	120
134	G	44.7	Very low	48.7	Very low	87 Å²	87	136.2 Å²	136.2	90%	0.897	78%	0.784	S	S	*	*			trans	92.9	96	134.6	0	0	0	0	0	118.7
135	G	38.3	Very low	47.7	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	80%	0.796	S	S	*	*			trans	-158.8	116.2	169.3	0	0	0	0	0	113.4	G137	G135-G137 PolarHBondContact O-N 2.92Å; G135-G137 VanDerWaalsContact O-N 3.08Å
136	S	38.6	Very low	46.3	Very low	124 Å²	124	139.4 Å²	139.4	87%	0.867	79%	0.789	S	S	*	*			trans	-68.6	102.2	-176.3	-175.2	0	0	0	0	112.6	K138	S136-K138 PolarHBondContact O-N 2.9Å
137	G	40.4	Very low	45.5	Very low	67 Å²	67	141.7 Å²	141.7	69%	0.691	80%	0.796	S	S	*	*			trans	-73.3	86.4	-179.1	0	0	0	0	0	113.8	G135 K139	G135-G137 PolarHBondContact O-N 2.92Å; G135-G137 VanDerWaalsContact O-N 3.08Å; G137-K139 PolarHBondContact O-N 3.5Å
138	K	38.8	Very low	44.8	Very low	201 Å²	201	140.4 Å²	140.4	87%	0.874	80%	0.797	S	S	*	*			trans	-65.6	96.3	162.6	-81.3	-173.8	175.7	178.6	0	109.6	S136 E140	S136-K138 PolarHBondContact O-N 2.9Å; K138-E140 PolarHBondContact O-N 2.83Å
139	K	40.8	Very low	44.5	Very low	201 Å²	201	135.4 Å²	135.4	87%	0.874	80%	0.804	S	S	*	*			trans	-66.4	99.4	172.7	-67.2	-175.8	178.9	-178.3	0	110	G137 K141	G137-K139 PolarHBondContact O-N 3.5Å; K139-K141 PolarHBondContact O-N 3.44Å
140	E	41.3	Very low	43.7	Very low	191 Å²	191	136.2 Å²	136.2	89%	0.893	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-63.2	131.4	169.4	-164.3	165.1	133.3	0	0	109.5	K138	K138-E140 PolarHBondContact O-N 2.83Å
141	K	39.1	Very low	43.4	Very low	185 Å²	185	137.5 Å²	137.5	80%	0.804	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-80.7	131.3	-174.2	-64.4	-178.8	-179	-179.3	0	109.3	K139	K139-K141 PolarHBondContact O-N 3.44Å
142	P	47.3	Very low	43.7	Very low	118 Å²	118	143.5 Å²	143.5	77%	0.766	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-61.1	147.5	172.3	27.1	-34.4	0	0	0	110.4	I144	P142-I144 PolarHBondContact O-N 2.85Å
143	P	45.9	Very low	44.1	Very low	119 Å²	119	138.8 Å²	138.8	77%	0.773	76%	0.761	S	S	*	*	S	Bend	trans	-68	121	-171.6	26.3	-34.6	0	0	0	112	R145	P143-R145 PolarHBondContact O-N 2.89Å
144	I	48.3	Very low	45	Very low	156 Å²	156	143.7 Å²	143.7	80%	0.8	76%	0.762	S	S	*	*			trans	25.2	87.3	160.1	-53.7	176.2	0	0	0	114.2	P142	P142-I144 PolarHBondContact O-N 2.85Å
145	R	44.9	Very low	46.3	Very low	224 Å²	224	141.7 Å²	141.7	85%	0.845	74%	0.742	S	S	*	*			trans	-98.4	122.1	150.5	-74.9	177.4	92.6	155.2	3.9	107.4	P143	P143-R145 PolarHBondContact O-N 2.89Å
146	D	39.6	Very low	48.2	Very low	97 Å²	97	140.3 Å²	140.3	52%	0.519	72%	0.723	S	S	.	*			trans	-60.4	139	168.5	-57.3	-41.5	0	0	0	109	H148	D146-H148 PolarHBondContact O-N 3.11Å
147	E	48.9	Very low	50.2	Low	188 Å²	188	136.4 Å²	136.4	88%	0.879	69%	0.692	S	S	*	*	S	Bend	trans	-58	-1.9	179.6	-88.4	-91.5	101.7	0	0	114.5
148	H	42.6	Very low	52.1	Low	161 Å²	161	136.1 Å²	136.1	75%	0.745	67%	0.674	S	S	*	*			trans	-116.2	102.9	177.2	-64.1	-4.6	0	0	0	109.5	D146 K150	D146-H148 PolarHBondContact O-N 3.11Å; H148-K150 PolarHBondContact O-N 2.9Å
149	G	49.8	Very low	54.3	Low	86 Å²	86	135 Å²	135	89%	0.887	67%	0.665	S	S	*	*			trans	-65.3	28.1	174.1	0	0	0	0	0	115.3
150	K	39.3	Very low	56.5	Low	182 Å²	182	127.5 Å²	127.5	79%	0.791	64%	0.635	S	S	*	*	S	Bend	trans	-122.1	78.7	-175.8	-77.8	-177.7	178.6	169.4	0	113.2	H148	H148-K150 PolarHBondContact O-N 2.9Å
151	I	48.6	Very low	58.6	Low	94 Å²	94	119.4 Å²	119.4	48%	0.482	60%	0.597	S	S	.	*			trans	55.3	65.3	139.6	-34.4	148.4	0	0	0	115.7	I153 R154	I151-I153 HydrophobicContact CG2-CB 4.02Å; I151-I153 PolarHBondContact O-N 3.27Å; I151-I153 VanDerWaalsContact O-N 3.16Å; I151-R154 HydrophobicContact CB-CB 4.13Å; I151-R154 HydrophobicContact CG2-CB 3.78Å; I151-R154 VanDerWaalsContact O-CB 3.23Å; I151-R154 WeakPolarHBondContact O-CB 3.43Å; I151-R154 PolarHBondContact O-N 3.43Å
152	R	49	Very low	61	Low	207 Å²	207	112.9 Å²	112.9	78%	0.781	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-28.3	167	-176.1	169.4	155.1	-177.6	-5.7	112.7	R154 G155 A156	R152-R154 PolarHBondContact O-N 3.37Å; R152-G155 PolarHBondContact O-N 2.91Å; R152-G155 VanDerWaalsContact O-N 3.12Å; R152-A156 PolarHBondContact O-N 2.8Å
153	I	54.5	Low	63	Low	65 Å²	65	112.1 Å²	112.1	33%	0.333	56%	0.557	S	S	.	*	H	α-helix	trans	-52.5	-34.3	169.4	-62.3	115.6	0	0	0	112.7	I99 E103 I151 G155 A156 L157	I99-I153 HydrophobicContact CG2-CG2 3.94Å; E103-I153 WeakPolarHBondContact OE1-CD1 3.23Å; E103-I153 WeakPolarHBondContact OE1-CG1 3.39Å; I151-I153 HydrophobicContact CG2-CB 4.02Å; I151-I153 PolarHBondContact O-N 3.27Å; I151-I153 VanDerWaalsContact O-N 3.16Å; I153-G155 VanDerWaalsContact C-N 3.26Å; I153-G155 PolarHBondContact O-N 3.41Å; I153-A156 PolarHBondContact O-N 2.98Å; I153-L157 HydrophobicContact CG2-CD1 3.7Å; I153-L157 HydrophobicContact CG2-CG 3.99Å; I153-L157 WeakPolarHBondContact O-CB 3.15Å; I153-L157 WeakPolarHBondContact O-CG 3.5Å; I153-L157 PolarHBondContact O-N 2.91Å
154	R	63.5	Low	65.1	Low	187 Å²	187	107.2 Å²	107.2	71%	0.706	52%	0.524	S	S	*	.	H	α-helix	trans	-66.2	-29.2	-178.9	-160.3	177	-168.9	-178.1	5.6	112	I151 R152 L158	I151-R154 HydrophobicContact CB-CB 4.13Å; I151-R154 HydrophobicContact CG2-CB 3.78Å; I151-R154 VanDerWaalsContact O-CB 3.23Å; I151-R154 WeakPolarHBondContact O-CB 3.43Å; I151-R154 PolarHBondContact O-N 3.43Å; R152-R154 PolarHBondContact O-N 3.37Å; R154-L158 WeakPolarHBondContact O-CB 3.32Å; R154-L158 PolarHBondContact O-N 2.97Å
155	G	73.9	Confident	67.1	Low	46 Å²	46	99.9 Å²	99.9	47%	0.474	49%	0.487	S	S	.	.	H	α-helix	trans	-73.3	-44.7	172.7	0	0	0	0	0	112.3	R152 I153 R159	R152-G155 PolarHBondContact O-N 2.91Å; R152-G155 VanDerWaalsContact O-N 3.12Å; I153-G155 VanDerWaalsContact C-N 3.26Å; I153-G155 PolarHBondContact O-N 3.41Å; G155-R159 WeakPolarHBondContact O-CB 3.31Å; G155-R159 PolarHBondContact O-N 3.46Å
156	A	76.3	Confident	69.3	Low	48 Å²	48	92.3 Å²	92.3	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-49.6	178.4	0	0	0	0	0	112.1	R152 I153 R159 T160	R152-A156 PolarHBondContact O-N 2.8Å; I153-A156 PolarHBondContact O-N 2.98Å; A156-R159 PolarHBondContact O-N 2.88Å; A156-T160 PolarHBondContact O-N 3.49Å; A156-T160 PolarHBondContact O-OG1 2.92Å
157	L	80.5	Confident	71.9	Confident	42 Å²	42	92.6 Å²	92.6	22%	0.22	46%	0.459	C	S	.	.	H	α-helix	trans	-59.3	-47.8	176.3	-72.4	178	0	0	0	111.8	V96 I99 I153 R159 T160 Y161	V96-L157 HydrophobicContact CG2-CD2 3.92Å; I99-L157 HydrophobicContact CD1-CD2 3.66Å; I99-L157 HydrophobicContact CD1-CG 4.25Å; I153-L157 HydrophobicContact CG2-CD1 3.7Å; I153-L157 HydrophobicContact CG2-CG 3.99Å; I153-L157 WeakPolarHBondContact O-CB 3.15Å; I153-L157 WeakPolarHBondContact O-CG 3.5Å; I153-L157 PolarHBondContact O-N 2.91Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 2.93Å; L157-T160 PolarHBondContact O-N 3.13Å; L157-T160 PolarHBondContact O-OG1 2.89Å; L157-Y161 VanDerWaalsContact O-CB 3.25Å; L157-Y161 WeakPolarHBondContact O-CB 3.41Å; L157-Y161 PolarHBondContact O-N 3.35Å
158	L	81.4	Confident	73.9	Confident	60 Å²	60	84.4 Å²	84.4	31%	0.314	42%	0.421	S	S	.	.	H	α-helix	trans	-59.2	-38.4	176.7	-178.7	66.2	0	0	0	111.8	R154 Y161 V162 L237	R154-L158 WeakPolarHBondContact O-CB 3.32Å; R154-L158 PolarHBondContact O-N 2.97Å; L158-Y161 HydrophobicContact CD1-CD1 4.28Å; L158-Y161 PolarHBondContact O-N 2.96Å; L158-V162 HydrophobicContact CD1-CG2 4.38Å; L158-V162 WeakPolarHBondContact O-CG2 3.47Å; L158-V162 PolarHBondContact O-N 3.01Å; L158-L237 HydrophobicContact CD1-CD2 4.37Å
159	R	85.6	Confident	76.3	Confident	179 Å²	179	77.8 Å²	77.8	68%	0.675	39%	0.392	S	S	*	.	H	α-helix	trans	-65.4	-47.1	177	-160.2	-178	-163	-168.6	6.3	111.5	G155 A156 L157 Y161 V162 F163	G155-R159 WeakPolarHBondContact O-CB 3.31Å; G155-R159 PolarHBondContact O-N 3.46Å; A156-R159 PolarHBondContact O-N 2.88Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 2.93Å; R159-Y161 VanDerWaalsContact C-N 3.29Å; R159-Y161 PolarHBondContact O-N 2.83Å; R159-V162 PolarHBondContact O-N 3.33Å; R159-F163 HydrophobicContact CG-CD2 4.12Å; R159-F163 HydrophobicContact CG-CE2 3.92Å; R159-F163 VanDerWaalsContact O-CD2 3.26Å; R159-F163 WeakPolarHBondContact O-CD2 3.12Å; R159-F163 PolarHBondContact O-N 2.7Å
160	T	86.8	Confident	78.5	Confident	42 Å²	42	78.9 Å²	78.9	26%	0.258	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-32.5	176.5	48.8	0	0	0	0	113.2	H95 A156 L157 N164	H95-T160 WeakPolarHBondContact CE1-CG2 3.46Å; H95-T160 PolarHBondContact CE1-OG1 3.49Å; H95-T160 WeakPolarHBondContact ND1-CG2 3.37Å; H95-T160 PolarHBondContact ND1-OG1 2.93Å; A156-T160 PolarHBondContact O-N 3.49Å; A156-T160 PolarHBondContact O-OG1 2.92Å; L157-T160 PolarHBondContact O-N 3.13Å; L157-T160 PolarHBondContact O-OG1 2.89Å; T160-N164 WeakPolarHBondContact O-CB 3.3Å; T160-N164 PolarHBondContact O-N 2.87Å
161	Y	84.9	Confident	81.2	Confident	22 Å²	22	73.2 Å²	73.2	9%	0.086	35%	0.352	C	S	.	.	H	α-helix	trans	-69.2	-43.1	175.5	179.1	-121.6	0	0	0	112.4	T19 Y92 L157 L158 R159 N164 I165 E233 L237	T19-Y161 PolarHBondContact OG1-OH 3.15Å; Y92-Y161 HydrophobicContact CD1-CD2 4.49Å; Y92-Y161 HydrophobicContact CE1-CD2 4.04Å; Y92-Y161 HydrophobicContact CE2-CD2 4.12Å; Y92-Y161 HydrophobicContact CE2-CG 4.32Å; Y92-Y161 AromaticContact CZ-CD2 3.85Å; L157-Y161 VanDerWaalsContact O-CB 3.25Å; L157-Y161 WeakPolarHBondContact O-CB 3.41Å; L157-Y161 PolarHBondContact O-N 3.35Å; L158-Y161 HydrophobicContact CD1-CD1 4.28Å; L158-Y161 PolarHBondContact O-N 2.96Å; R159-Y161 VanDerWaalsContact C-N 3.29Å; R159-Y161 PolarHBondContact O-N 2.83Å; Y161-N164 WeakPolarHBondContact O-CB 3.13Å; Y161-N164 PolarHBondContact O-N 3.16Å; Y161-I165 HydrophobicContact CD1-CD1 4.2Å; Y161-I165 HydrophobicContact CD2-CD1 4.38Å; Y161-I165 HydrophobicContact CE1-CD1 3.88Å; Y161-I165 HydrophobicContact CE2-CD1 4.05Å; Y161-I165 HydrophobicContact CG-CD1 4.45Å; Y161-I165 WeakPolarHBondContact O-CG1 3.48Å; Y161-I165 PolarHBondContact O-N 3.1Å; Y161-E233 PolarHBondContact OH-OE1 2.84Å; Y161-L237 HydrophobicContact CD1-CD1 4.09Å; Y161-L237 HydrophobicContact CE1-CD1 3.51Å; Y161-L237 HydrophobicContact CE1-CD2 4.09Å; Y161-L237 HydrophobicContact CE1-CG 4.42Å
162	V	88.5	Confident	83.4	Confident	47 Å²	47	68.8 Å²	68.8	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-42.2	173.6	169.3	0	0	0	0	111.2	L158 R159 N164 I165 I166	L158-V162 HydrophobicContact CD1-CG2 4.38Å; L158-V162 WeakPolarHBondContact O-CG2 3.47Å; L158-V162 PolarHBondContact O-N 3.01Å; R159-V162 PolarHBondContact O-N 3.33Å; V162-N164 PolarHBondContact O-N 2.99Å; V162-I165 PolarHBondContact O-N 2.98Å; V162-I166 HydrophobicContact CG1-CD1 3.77Å; V162-I166 HydrophobicContact CG1-CG1 4.48Å; V162-I166 VanDerWaalsContact O-CG1 3.28Å; V162-I166 WeakPolarHBondContact O-CG1 3.41Å; V162-I166 PolarHBondContact O-N 2.73Å
163	F	90.2	Very high	85.7	Confident	103 Å²	103	61.5 Å²	61.5	45%	0.452	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-42.1	172.6	-83.6	-63.1	0	0	0	112.5	R159 I165 I166 F167	R159-F163 HydrophobicContact CG-CD2 4.12Å; R159-F163 HydrophobicContact CG-CE2 3.92Å; R159-F163 VanDerWaalsContact O-CD2 3.26Å; R159-F163 WeakPolarHBondContact O-CD2 3.12Å; R159-F163 PolarHBondContact O-N 2.7Å; F163-I165 PolarHBondContact O-N 3.32Å; F163-I166 PolarHBondContact O-N 2.8Å; F163-F167 HydrophobicContact CB-CD2 4.5Å; F163-F167 HydrophobicContact CD1-CE2 4.26Å; F163-F167 VanDerWaalsContact O-CD2 3.23Å; F163-F167 WeakPolarHBondContact O-CD2 3.16Å; F163-F167 PolarHBondContact O-N 3.05Å
164	N	89.9	Confident	87.7	Confident	16 Å²	16	60.3 Å²	60.3	9%	0.086	31%	0.312	C	S	.	.	H	α-helix	trans	-53.8	-51	173.6	154.7	-84.3	0	0	0	111.9	P88 T89 T160 Y161 V162 I166 F167 K168	P88-N164 PolarHBondContact O-ND2 3.28Å; T89-N164 VanDerWaalsContact CA-ND2 3.26Å; T89-N164 WeakPolarHBondContact CA-ND2 3.37Å; T89-N164 PolarHBondContact N-ND2 2.96Å; T160-N164 WeakPolarHBondContact O-CB 3.3Å; T160-N164 PolarHBondContact O-N 2.87Å; Y161-N164 WeakPolarHBondContact O-CB 3.13Å; Y161-N164 PolarHBondContact O-N 3.16Å; V162-N164 PolarHBondContact O-N 2.99Å; N164-I166 VanDerWaalsContact C-N 3.34Å; N164-I166 PolarHBondContact O-N 3.2Å; N164-F167 PolarHBondContact O-N 3.17Å; N164-K168 VanDerWaalsContact O-CB 3.26Å; N164-K168 WeakPolarHBondContact O-CB 3.39Å; N164-K168 PolarHBondContact O-N 3.44Å
165	I	89.4	Confident	89.3	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-39.5	-179.2	-62.4	162.1	0	0	0	111	Y161 V162 F163 K168 T169 N230 E233 I234 L237	Y161-I165 HydrophobicContact CD1-CD1 4.2Å; Y161-I165 HydrophobicContact CD2-CD1 4.38Å; Y161-I165 HydrophobicContact CE1-CD1 3.88Å; Y161-I165 HydrophobicContact CE2-CD1 4.05Å; Y161-I165 HydrophobicContact CG-CD1 4.45Å; Y161-I165 WeakPolarHBondContact O-CG1 3.48Å; Y161-I165 PolarHBondContact O-N 3.1Å; V162-I165 PolarHBondContact O-N 2.98Å; F163-I165 PolarHBondContact O-N 3.32Å; I165-K168 PolarHBondContact O-N 3.06Å; I165-T169 VanDerWaalsContact O-CB 3.29Å; I165-T169 WeakPolarHBondContact O-CB 3.13Å; I165-T169 PolarHBondContact O-N 3.24Å; I165-T169 PolarHBondContact O-OG1 2.95Å; I165-N230 HydrophobicContact CG2-CB 4.39Å; I165-E233 HydrophobicContact CD1-CG 4.06Å; I165-I234 HydrophobicContact CG2-CB 4.04Å; I165-L237 HydrophobicContact CD1-CD1 3.69Å
166	I	91.8	Very high	90.3	Very high	65 Å²	65	52.1 Å²	52.1	33%	0.333	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-53.5	176.8	-69.6	166.3	0	0	0	110.9	V162 F163 N164 K168 T169 L170 I234	V162-I166 HydrophobicContact CG1-CD1 3.77Å; V162-I166 HydrophobicContact CG1-CG1 4.48Å; V162-I166 VanDerWaalsContact O-CG1 3.28Å; V162-I166 WeakPolarHBondContact O-CG1 3.41Å; V162-I166 PolarHBondContact O-N 2.73Å; F163-I166 PolarHBondContact O-N 2.8Å; N164-I166 VanDerWaalsContact C-N 3.34Å; N164-I166 PolarHBondContact O-N 3.2Å; I166-K168 VanDerWaalsContact C-N 3.32Å; I166-K168 PolarHBondContact O-N 3.22Å; I166-T169 PolarHBondContact O-N 3.34Å; I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.43Å; I166-L170 WeakPolarHBondContact O-CG 3.48Å; I166-L170 PolarHBondContact O-N 2.77Å; I166-I234 HydrophobicContact CG1-CD1 3.98Å
167	F	94.2	Very high	91.3	Very high	103 Å²	103	53.8 Å²	53.8	45%	0.452	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-41.4	178.4	-79.5	-65.8	0	0	0	112.1	P88 F163 N164 T169 L170 F171	P88-F167 HydrophobicContact CB-CB 4.27Å; P88-F167 HydrophobicContact CG-CB 3.9Å; F163-F167 HydrophobicContact CB-CD2 4.5Å; F163-F167 HydrophobicContact CD1-CE2 4.26Å; F163-F167 VanDerWaalsContact O-CD2 3.23Å; F163-F167 WeakPolarHBondContact O-CD2 3.16Å; F163-F167 PolarHBondContact O-N 3.05Å; N164-F167 PolarHBondContact O-N 3.17Å; F167-T169 VanDerWaalsContact C-N 3.34Å; F167-T169 PolarHBondContact O-N 3.12Å; F167-L170 PolarHBondContact O-N 2.84Å; F167-F171 HydrophobicContact CB-CE2 4.21Å; F167-F171 WeakPolarHBondContact O-CD2 3.22Å; F167-F171 WeakPolarHBondContact O-CG 3.4Å; F167-F171 PolarHBondContact O-N 3.29Å
168	K	91.4	Very high	92	Very high	16 Å²	16	52.8 Å²	52.8	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-41.9	176.3	-168.9	-174	175.6	-157	0	112.1	V85 N164 I165 I166 E172 N230	V85-K168 HydrophobicContact CG1-CD 4.37Å; V85-K168 HydrophobicContact CG1-CG 3.89Å; N164-K168 VanDerWaalsContact O-CB 3.26Å; N164-K168 WeakPolarHBondContact O-CB 3.39Å; N164-K168 PolarHBondContact O-N 3.44Å; I165-K168 PolarHBondContact O-N 3.06Å; I166-K168 VanDerWaalsContact C-N 3.32Å; I166-K168 PolarHBondContact O-N 3.22Å; K168-E172 WeakPolarHBondContact O-CB 3.44Å; K168-E172 PolarHBondContact O-N 3.39Å; K168-N230 WeakPolarHBondContact CE-OD1 3.48Å; K168-N230 PolarHBondContact NZ-OD1 3.03Å
169	T	93.1	Very high	92.6	Very high	22 Å²	22	50.3 Å²	50.3	14%	0.135	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-45	176.1	-59.7	0	0	0	0	111.3	I165 I166 F167 E172 V173 L227 L231	I165-T169 VanDerWaalsContact O-CB 3.29Å; I165-T169 WeakPolarHBondContact O-CB 3.13Å; I165-T169 PolarHBondContact O-N 3.24Å; I165-T169 PolarHBondContact O-OG1 2.95Å; I166-T169 PolarHBondContact O-N 3.34Å; F167-T169 VanDerWaalsContact C-N 3.34Å; F167-T169 PolarHBondContact O-N 3.12Å; T169-E172 PolarHBondContact O-N 3.31Å; T169-V173 WeakPolarHBondContact O-CB 3.48Å; T169-V173 WeakPolarHBondContact O-CG2 3.47Å; T169-V173 PolarHBondContact O-N 2.95Å; T169-L227 HydrophobicContact CG2-CD1 3.78Å; T169-L231 HydrophobicContact CG2-CD2 4.11Å
170	L	96.1	Very high	93	Very high	108 Å²	108	47 Å²	47	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-62.4	-43.2	177.3	-70.9	171.3	0	0	0	112.1	I166 F167 G174	I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.43Å; I166-L170 WeakPolarHBondContact O-CG 3.48Å; I166-L170 PolarHBondContact O-N 2.77Å; F167-L170 PolarHBondContact O-N 2.84Å; L170-G174 PolarHBondContact O-N 3.11Å
171	F	96.1	Very high	93.4	Very high	64 Å²	64	52.7 Å²	52.7	28%	0.281	27%	0.267	S	S	.	.	H	α-helix	trans	-66.6	-46.9	175.1	-65.7	-45.5	0	0	0	111.9	F84 V85 P88 F167 V173 G174 F175	F84-F171 HydrophobicContact CB-CB 4.38Å; F84-F171 HydrophobicContact CB-CD1 4.35Å; F84-F171 HydrophobicContact CB-CD2 4.31Å; F84-F171 HydrophobicContact CB-CG 4.12Å; F84-F171 HydrophobicContact CD1-CD1 4.24Å; F84-F171 AromaticContact CD1-CE1 3.91Å; F84-F171 HydrophobicContact CD1-CE1 3.91Å; F84-F171 HydrophobicContact CD1-CE2 4.43Å; F84-F171 HydrophobicContact CD1-CZ 4.02Å; F84-F171 WeakPolarHBondContact O-CD2 3.49Å; V85-F171 HydrophobicContact CG2-CB 4.23Å; P88-F171 HydrophobicContact CG-CD2 3.99Å; P88-F171 HydrophobicContact CG-CE2 3.88Å; F167-F171 HydrophobicContact CB-CE2 4.21Å; F167-F171 WeakPolarHBondContact O-CD2 3.22Å; F167-F171 WeakPolarHBondContact O-CG 3.4Å; F167-F171 PolarHBondContact O-N 3.29Å; F171-V173 VanDerWaalsContact C-N 3.33Å; F171-V173 PolarHBondContact O-N 2.91Å; F171-G174 PolarHBondContact O-N 3.05Å; F171-G174 VanDerWaalsContact O-N 3.11Å; F171-F175 VanDerWaalsContact O-CD2 3.32Å; F171-F175 WeakPolarHBondContact O-CD2 3.41Å; F171-F175 PolarHBondContact O-N 3.45Å
172	E	94.9	Very high	93.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-42.4	179.8	-161.1	86.3	-93.1	0	0	111.5	R33 Q81 V85 K168 T169 I176 S226 L227	R33-E172 IonicContact CZ-OE1 3.92Å; R33-E172 IonicContact CZ-OE2 3.79Å; R33-E172 IonicContact NH1-OE1 3.55Å; R33-E172 PolarHBondContact NH1-OE1 3.47Å; R33-E172 IonicContact NH1-OE2 3.2Å; R33-E172 VanDerWaalsContact NH2-CD 3.27Å; R33-E172 IonicContact NH2-OE1 2.69Å; R33-E172 PolarHBondContact NH2-OE1 2.92Å; R33-E172 VanDerWaalsContact NH2-OE1 3.11Å; R33-E172 IonicContact NH2-OE2 2.84Å; R33-E172 PolarHBondContact NH2-OE2 3.25Å; Q81-E172 PolarHBondContact NE2-OE1 3.15Å; V85-E172 HydrophobicContact CG2-CB 4.43Å; K168-E172 WeakPolarHBondContact O-CB 3.44Å; K168-E172 PolarHBondContact O-N 3.39Å; T169-E172 PolarHBondContact O-N 3.31Å; E172-I176 HydrophobicContact CG-CD1 4.33Å; E172-I176 WeakPolarHBondContact O-CD1 3.5Å; E172-I176 VanDerWaalsContact O-CG1 3.23Å; E172-I176 WeakPolarHBondContact O-CG1 3.37Å; E172-I176 PolarHBondContact O-N 3.43Å; E172-S226 WeakPolarHBondContact OE2-CB 3.01Å; E172-S226 PolarHBondContact OE2-OG 3.37Å; E172-L227 HydrophobicContact CG-CB 4.14Å
173	V	96.9	Very high	93.8	Very high	54 Å²	54	55.4 Å²	55.4	33%	0.327	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-44.6	172.2	172.1	0	0	0	0	111.6	T169 F171 F175 I176 L177 L227	T169-V173 WeakPolarHBondContact O-CB 3.48Å; T169-V173 WeakPolarHBondContact O-CG2 3.47Å; T169-V173 PolarHBondContact O-N 2.95Å; F171-V173 VanDerWaalsContact C-N 3.33Å; F171-V173 PolarHBondContact O-N 2.91Å; V173-F175 PolarHBondContact O-N 3.4Å; V173-I176 PolarHBondContact O-N 3.22Å; V173-L177 HydrophobicContact CG1-CD1 3.83Å; V173-L177 HydrophobicContact CG1-CG 4.27Å; V173-L177 WeakPolarHBondContact O-CG 3.31Å; V173-L177 PolarHBondContact O-N 3.44Å; V173-L227 HydrophobicContact CG2-CD1 3.68Å; V173-L227 HydrophobicContact CG2-CD2 3.78Å; V173-L227 HydrophobicContact CG2-CG 4.41Å
174	G	97.2	Very high	93.8	Very high	41 Å²	41	51.3 Å²	51.3	42%	0.423	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-41.4	179.2	0	0	0	0	0	113.2	L170 F171 G178	L170-G174 PolarHBondContact O-N 3.11Å; F171-G174 PolarHBondContact O-N 3.05Å; F171-G174 VanDerWaalsContact O-N 3.11Å; G174-G178 PolarHBondContact O-N 2.89Å
175	F	96.1	Very high	93.6	Very high	31 Å²	31	55.5 Å²	55.5	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-73.3	-35.1	175.8	-82.3	-84.3	0	0	0	112.7	F77 L80 Q81 F84 F171 V173 G178 Q179	F77-F175 HydrophobicContact CD1-CD1 4.28Å; F77-F175 HydrophobicContact CE1-CB 4.37Å; F77-F175 AromaticContact CE1-CD1 3.71Å; F77-F175 HydrophobicContact CE1-CD1 3.71Å; F77-F175 WeakPolarHBondContact CE1-O 3.31Å; F77-F175 AromaticContact CE2-CD1 3.98Å; F77-F175 HydrophobicContact CE2-CD1 3.98Å; F77-F175 HydrophobicContact CE2-CE1 4.27Å; F77-F175 HydrophobicContact CZ-CB 4.37Å; F77-F175 AromaticContact CZ-CD1 3.54Å; F77-F175 HydrophobicContact CZ-CD1 3.54Å; F77-F175 HydrophobicContact CZ-CE1 4.29Å; F77-F175 HydrophobicContact CZ-CG 4.39Å; F77-F175 WeakPolarHBondContact CZ-O 3.46Å; L80-F175 HydrophobicContact CB-CE1 3.95Å; L80-F175 HydrophobicContact CB-CZ 4.06Å; Q81-F175 HydrophobicContact CB-CB 4.14Å; Q81-F175 HydrophobicContact CB-CD1 3.55Å; Q81-F175 HydrophobicContact CB-CD2 4.19Å; Q81-F175 HydrophobicContact CB-CE1 3.99Å; Q81-F175 HydrophobicContact CB-CG 3.69Å; Q81-F175 HydrophobicContact CB-CZ 4.49Å; Q81-F175 HydrophobicContact CG-CB 3.67Å; Q81-F175 HydrophobicContact CG-CD1 4.08Å; Q81-F175 HydrophobicContact CG-CD2 4.13Å; Q81-F175 HydrophobicContact CG-CG 3.69Å; F84-F175 HydrophobicContact CB-CE2 3.69Å; F84-F175 HydrophobicContact CB-CZ 4.3Å; F84-F175 AromaticContact CD2-CE2 3.91Å; F84-F175 HydrophobicContact CD2-CE2 3.91Å; F84-F175 AromaticContact CD2-CZ 3.7Å; F84-F175 HydrophobicContact CD2-CZ 3.7Å; F84-F175 HydrophobicContact CE2-CZ 4.43Å; F84-F175 AromaticContact CG-CE2 4Å; F84-F175 HydrophobicContact CG-CE2 4Å; F84-F175 HydrophobicContact CG-CZ 4.27Å; F171-F175 VanDerWaalsContact O-CD2 3.32Å; F171-F175 WeakPolarHBondContact O-CD2 3.41Å; F171-F175 PolarHBondContact O-N 3.45Å; V173-F175 PolarHBondContact O-N 3.4Å; F175-G178 PolarHBondContact O-N 3.21Å; F175-Q179 WeakPolarHBondContact O-CB 3.42Å; F175-Q179 PolarHBondContact O-N 3.01Å
176	I	95.6	Very high	93.6	Very high	29 Å²	29	61.2 Å²	61.2	15%	0.149	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-46.5	172.4	-71.5	163.7	0	0	0	110.9	E172 V173 Y180 L220 A223 L227	E172-I176 HydrophobicContact CG-CD1 4.33Å; E172-I176 WeakPolarHBondContact O-CD1 3.5Å; E172-I176 VanDerWaalsContact O-CG1 3.23Å; E172-I176 WeakPolarHBondContact O-CG1 3.37Å; E172-I176 PolarHBondContact O-N 3.43Å; V173-I176 PolarHBondContact O-N 3.22Å; I176-Y180 WeakPolarHBondContact O-CB 3.22Å; I176-Y180 PolarHBondContact O-N 3.27Å; I176-Y180 VanDerWaalsContact O-N 3.11Å; I176-L220 HydrophobicContact CG1-CD1 4.31Å; I176-L220 HydrophobicContact CG2-CD1 4.01Å; I176-A223 HydrophobicContact CD1-CB 3.85Å; I176-A223 HydrophobicContact CG1-CB 3.75Å; I176-L227 HydrophobicContact CD1-CD2 3.99Å
177	L	96.1	Very high	93.5	Very high	83 Å²	83	59.1 Å²	59.1	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-40.8	176.5	-68.2	175.3	0	0	0	111.7	V173 Y180 F181	V173-L177 HydrophobicContact CG1-CD1 3.83Å; V173-L177 HydrophobicContact CG1-CG 4.27Å; V173-L177 WeakPolarHBondContact O-CG 3.31Å; V173-L177 PolarHBondContact O-N 3.44Å; L177-Y180 PolarHBondContact O-N 2.93Å; L177-F181 HydrophobicContact CB-CD2 4.37Å; L177-F181 HydrophobicContact CB-CE2 4.34Å; L177-F181 HydrophobicContact CD2-CE2 4.4Å; L177-F181 WeakPolarHBondContact O-CD2 3.34Å; L177-F181 PolarHBondContact O-N 2.81Å
178	G	95.3	Very high	93.4	Very high	21 Å²	21	62.3 Å²	62.3	22%	0.216	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-46.9	175.9	0	0	0	0	0	112.8	G174 F175 Y180 F181 L182	G174-G178 PolarHBondContact O-N 2.89Å; F175-G178 PolarHBondContact O-N 3.21Å; G178-Y180 VanDerWaalsContact C-N 3.32Å; G178-Y180 PolarHBondContact O-N 2.93Å; G178-F181 PolarHBondContact O-N 2.87Å; G178-L182 VanDerWaalsContact O-CB 3.3Å; G178-L182 WeakPolarHBondContact O-CB 3.47Å; G178-L182 VanDerWaalsContact O-CG 3.31Å; G178-L182 WeakPolarHBondContact O-CG 3.44Å; G178-L182 PolarHBondContact O-N 2.56Å
179	Q	94.3	Very high	93.4	Very high	9 Å²	9	65.2 Å²	65.2	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-45.2	173.8	176.6	67.9	48.7	0	0	111.1	H74 F77 F175 Y183 G184	H74-Q179 PolarHBondContact CD2-NE2 3.2Å; H74-Q179 PolarHBondContact NE2-NE2 3.31Å; H74-Q179 VanDerWaalsContact NE2-NE2 3.1Å; F77-Q179 HydrophobicContact CE1-CB 3.83Å; F77-Q179 HydrophobicContact CZ-CB 4.27Å; F175-Q179 WeakPolarHBondContact O-CB 3.42Å; F175-Q179 PolarHBondContact O-N 3.01Å; Q179-Y183 VanDerWaalsContact NE2-CD2 3.27Å; Q179-Y183 PolarHBondContact O-N 3.44Å; Q179-G184 PolarHBondContact O-N 2.77Å
180	Y	94.4	Very high	93.5	Very high	110 Å²	110	67.2 Å²	67.2	43%	0.431	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-43.1	-179.6	176.3	-109	0	0	0	113	I176 L177 G178 G184 F185	I176-Y180 WeakPolarHBondContact O-CB 3.22Å; I176-Y180 PolarHBondContact O-N 3.27Å; I176-Y180 VanDerWaalsContact O-N 3.11Å; L177-Y180 PolarHBondContact O-N 2.93Å; G178-Y180 VanDerWaalsContact C-N 3.32Å; G178-Y180 PolarHBondContact O-N 2.93Å; Y180-G184 VanDerWaalsContact O-CA 3.22Å; Y180-G184 WeakPolarHBondContact O-CA 3.34Å; Y180-G184 PolarHBondContact O-N 3.02Å; Y180-F185 HydrophobicContact CD2-CD1 4.23Å; Y180-F185 HydrophobicContact CD2-CD2 4.06Å; Y180-F185 AromaticContact CD2-CE1 3.69Å; Y180-F185 HydrophobicContact CD2-CE1 3.69Å; Y180-F185 AromaticContact CD2-CE2 3.49Å; Y180-F185 HydrophobicContact CD2-CE2 3.49Å; Y180-F185 VanDerWaalsContact CD2-CE2 3.49Å; Y180-F185 HydrophobicContact CD2-CG 4.41Å; Y180-F185 AromaticContact CD2-CZ 3.29Å; Y180-F185 HydrophobicContact CD2-CZ 3.29Å; Y180-F185 HydrophobicContact CE2-CD2 4.05Å; Y180-F185 AromaticContact CE2-CE2 3.49Å; Y180-F185 HydrophobicContact CE2-CE2 3.49Å; Y180-F185 VanDerWaalsContact CE2-CE2 3.49Å; Y180-F185 AromaticContact CE2-CZ 3.77Å; Y180-F185 HydrophobicContact CE2-CZ 3.77Å; Y180-F185 HydrophobicContact CG-CE1 4.4Å; Y180-F185 HydrophobicContact CG-CZ 4.13Å
181	F	94.5	Very high	93.5	Very high	160 Å²	160	64.9 Å²	64.9	70%	0.702	32%	0.323	S	S	*	.	H	α-helix	trans	-78.5	-27.2	179.8	-72	-61.4	0	0	0	114.2	L177 G178	L177-F181 HydrophobicContact CB-CD2 4.37Å; L177-F181 HydrophobicContact CB-CE2 4.34Å; L177-F181 HydrophobicContact CD2-CE2 4.4Å; L177-F181 WeakPolarHBondContact O-CD2 3.34Å; L177-F181 PolarHBondContact O-N 2.81Å; G178-F181 PolarHBondContact O-N 2.87Å
182	L	92	Very high	93.5	Very high	94 Å²	94	68 Å²	68	49%	0.492	34%	0.336	S	S	.	.	H	α-helix	trans	-82.9	-41.7	178	-71.4	170.2	0	0	0	113.2	F77 G178	F77-L182 HydrophobicContact CD2-CD1 4.28Å; F77-L182 HydrophobicContact CE2-CD1 3.95Å; G178-L182 VanDerWaalsContact O-CB 3.3Å; G178-L182 WeakPolarHBondContact O-CB 3.47Å; G178-L182 VanDerWaalsContact O-CG 3.31Å; G178-L182 WeakPolarHBondContact O-CG 3.44Å; G178-L182 PolarHBondContact O-N 2.56Å
183	Y	89.8	Confident	93.6	Very high	32 Å²	32	68 Å²	68	13%	0.125	34%	0.337	C	S	.	.	H	α-helix	trans	-134.4	-10.7	-171.5	-36.7	-85.7	0	0	0	114.4	I72 H74 Q179	I72-Y183 WeakPolarHBondContact CG2-OH 3.4Å; I72-Y183 PolarHBondContact O-OH 3.11Å; H74-Y183 AromaticContact CE1-CD1 3.4Å; H74-Y183 WeakPolarHBondContact CE1-CD1 3.24Å; H74-Y183 AromaticContact CE1-CD2 3.98Å; H74-Y183 AromaticContact CE1-CE1 3.75Å; H74-Y183 AromaticContact CE1-CG 3.5Å; H74-Y183 AromaticContact NE2-CD1 3.73Å; H74-Y183 AromaticContact NE2-CD2 3.46Å; H74-Y183 WeakPolarHBondContact NE2-CD2 3.46Å; H74-Y183 AromaticContact NE2-CE2 3.95Å; H74-Y183 AromaticContact NE2-CG 3.31Å; H74-Y183 VanDerWaalsContact NE2-CG 3.31Å; Q179-Y183 VanDerWaalsContact NE2-CD2 3.27Å; Q179-Y183 PolarHBondContact O-N 3.44Å
184	G	90.9	Very high	93.6	Very high	18 Å²	18	68.8 Å²	68.8	19%	0.186	35%	0.349	C	S	.	.			trans	66.5	-149.1	-171.9	0	0	0	0	0	113.2	Q179 Y180	Q179-G184 PolarHBondContact O-N 2.77Å; Y180-G184 VanDerWaalsContact O-CA 3.22Å; Y180-G184 WeakPolarHBondContact O-CA 3.34Å; Y180-G184 PolarHBondContact O-N 3.02Å
185	F	86	Confident	93.6	Very high	103 Å²	103	70.9 Å²	70.9	45%	0.452	34%	0.344	S	S	.	.	S	Bend	trans	-109.3	-6.7	-175.9	-57.8	-47.5	0	0	0	114.6	Y180 L220	Y180-F185 HydrophobicContact CD2-CD1 4.23Å; Y180-F185 HydrophobicContact CD2-CD2 4.06Å; Y180-F185 AromaticContact CD2-CE1 3.69Å; Y180-F185 HydrophobicContact CD2-CE1 3.69Å; Y180-F185 AromaticContact CD2-CE2 3.49Å; Y180-F185 HydrophobicContact CD2-CE2 3.49Å; Y180-F185 VanDerWaalsContact CD2-CE2 3.49Å; Y180-F185 HydrophobicContact CD2-CG 4.41Å; Y180-F185 AromaticContact CD2-CZ 3.29Å; Y180-F185 HydrophobicContact CD2-CZ 3.29Å; Y180-F185 HydrophobicContact CE2-CD2 4.05Å; Y180-F185 AromaticContact CE2-CE2 3.49Å; Y180-F185 HydrophobicContact CE2-CE2 3.49Å; Y180-F185 VanDerWaalsContact CE2-CE2 3.49Å; Y180-F185 AromaticContact CE2-CZ 3.77Å; Y180-F185 HydrophobicContact CE2-CZ 3.77Å; Y180-F185 HydrophobicContact CG-CE1 4.4Å; Y180-F185 HydrophobicContact CG-CZ 4.13Å; F185-L220 HydrophobicContact CD1-CD2 3.5Å; F185-L220 VanDerWaalsContact CD1-CD2 3.5Å; F185-L220 HydrophobicContact CE1-CD2 3.52Å
186	Q	89.6	Confident	93.5	Very high	122 Å²	122	79.9 Å²	79.9	57%	0.57	38%	0.377	S	S	*	.	S	Bend	trans	-147.5	123.2	-177.7	178.1	175.5	30.8	0	0	110.3	T213	Q186-T213 HydrophobicContact CB-CG2 4.33Å; Q186-T213 HydrophobicContact CG-CG2 4.18Å
187	L	90	Very high	93.6	Very high	22 Å²	22	79.7 Å²	79.7	12%	0.115	38%	0.378	C	S	.	.			trans	-78.4	124.1	175.3	-166.5	54.1	0	0	0	109.4	F70 I206 K212 T213	F70-L187 HydrophobicContact CE1-CD1 3.85Å; F70-L187 HydrophobicContact CE1-CD2 4.24Å; F70-L187 HydrophobicContact CZ-CD1 4.02Å; F70-L187 HydrophobicContact CZ-CD2 4.28Å; L187-I206 HydrophobicContact CD1-CD1 4.15Å; L187-I206 HydrophobicContact CD2-CG2 3.78Å; L187-I206 HydrophobicContact CG-CD1 4.5Å; L187-I206 HydrophobicContact CG-CG2 4.11Å; L187-K212 HydrophobicContact CD2-CB 4.03Å; L187-K212 HydrophobicContact CD2-CD 4.25Å; L187-T213 PolarHBondContact N-OG1 2.93Å
188	R	90.9	Very high	93.6	Very high	170 Å²	170	76.4 Å²	76.4	64%	0.642	36%	0.362	S	S	*	.			trans	-75.3	146.3	174.5	-66	-65.1	-175.9	172.2	-1	109.4	L190 I206	R188-L190 PolarHBondContact O-N 3.45Å; R188-I206 VanDerWaalsContact O-CD1 3.3Å; R188-I206 WeakPolarHBondContact O-CD1 3.42Å
189	P	92.5	Very high	93.6	Very high	77 Å²	77	78.5 Å²	78.5	50%	0.5	37%	0.371	S	S	.	.	S	Bend	trans	-71.9	-21.1	175.6	30.6	-36.2	0	0	0	112.9	F205 I206 P209	P189-F205 WeakPolarHBondContact O-CA 3.18Å; P189-I206 PolarHBondContact O-N 3.08Å; P189-P209 HydrophobicContact CB-CB 4.42Å; P189-P209 HydrophobicContact CB-CG 3.83Å
190	L	94.7	Very high	93.6	Very high	64 Å²	64	84.9 Å²	84.9	34%	0.335	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.2	-177.2	-178.1	72.5	0	0	0	109.7	R188 D203 C204 F205	R188-L190 PolarHBondContact O-N 3.45Å; L190-D203 HydrophobicContact CD1-CB 3.78Å; L190-C204 WeakPolarHBondContact CA-O 3.4Å; L190-F205 HydrophobicContact CD1-CD1 4.15Å; L190-F205 HydrophobicContact CD1-CE1 3.76Å; L190-F205 HydrophobicContact CD1-CZ 4.11Å
191	Y	95.3	Very high	93.7	Very high	58 Å²	58	84 Å²	84	23%	0.227	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.1	169.3	-176.8	-99.3	0	0	0	109.2	E68 A69 C193 C204	E68-Y191 WeakPolarHBondContact CB-OH 3.25Å; E68-Y191 VanDerWaalsContact CG-OH 3.24Å; E68-Y191 WeakPolarHBondContact CG-OH 3.46Å; A69-Y191 HydrophobicContact CB-CD1 4.05Å; A69-Y191 HydrophobicContact CB-CD2 3.83Å; A69-Y191 HydrophobicContact CB-CE1 3.99Å; A69-Y191 HydrophobicContact CB-CE2 3.77Å; A69-Y191 HydrophobicContact CB-CG 3.97Å; Y191-C193 HydrophobicContact CD1-CB 3.94Å; Y191-C193 HydrophobicContact CE1-CB 3.75Å; Y191-C204 PolarHBondContact N-O 3.04Å; Y191-C204 PolarHBondContact O-N 3.32Å
192	K	96.8	Very high	93.8	Very high	129 Å²	129	76.8 Å²	76.8	56%	0.561	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.5	178.2	-66.7	-162.9	175.6	-89.3	0	109.3	T201 D203	K192-T201 HydrophobicContact CB-CG2 3.99Å; K192-D203 WeakPolarHBondContact CE-OD1 3.23Å; K192-D203 WeakPolarHBondContact CG-OD1 3.34Å; K192-D203 IonicContact NZ-OD1 3.04Å; K192-D203 PolarHBondContact NZ-OD1 2.93Å; K192-D203 IonicContact NZ-OD2 3.97Å; K192-D203 PolarHBondContact NZ-OD2 3.34Å
193	C	97.2	Very high	94.1	Very high	1 Å²	1	74.9 Å²	74.9	1%	0.007	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137	-171.8	177.1	0	0	0	0	110.7	C65 Y191 T201 V202	C65-C193 WeakPolarHBondContact CA-SG 3.17Å; C65-C193 HydrophobicContact CB-CB 3.62Å; C65-C193 WeakPolarHBondContact CB-SG 3.2Å; C65-C193 WeakPolarHBondContact SG-CB 3.41Å; C65-C193 CovalentContact SG-SG 2.03Å; C65-C193 PolarHBondContact SG-SG 2.7Å; Y191-C193 HydrophobicContact CD1-CB 3.94Å; Y191-C193 HydrophobicContact CE1-CB 3.75Å; C193-T201 CarbonylContact O-C 3.49Å; C193-T201 VanDerWaalsContact O-CA 3.25Å; C193-T201 WeakPolarHBondContact O-CA 3.46Å; C193-V202 HydrophobicContact CB-CG2 3.91Å; C193-V202 PolarHBondContact N-O 2.91Å; C193-V202 PolarHBondContact O-N 3.47Å
194	A	96.7	Very high	94.4	Very high	70 Å²	70	73.4 Å²	73.4	58%	0.579	37%	0.366	S	S	*	.			trans	-131.9	17.5	177.9	0	0	0	0	0	112.9
195	R	96.4	Very high	94.6	Very high	85 Å²	85	77.4 Å²	77.4	32%	0.321	38%	0.378	S	S	.	.			trans	-82.5	138.9	-175.2	-177.9	173	-179.7	-164	4.4	111.5	V64 D67 E68 C198	V64-R195 HydrophobicContact CB-CG 4.25Å; V64-R195 HydrophobicContact CG2-CB 4.37Å; V64-R195 HydrophobicContact CG2-CG 4.22Å; V64-R195 PolarHBondContact O-NH1 2.92Å; D67-R195 IonicContact OD2-CZ 3.85Å; D67-R195 IonicContact OD2-NH1 2.69Å; D67-R195 PolarHBondContact OD2-NH1 3.34Å; D67-R195 IonicContact OD2-NH2 3.47Å; D67-R195 PolarHBondContact OD2-NH2 3.33Å; E68-R195 VanDerWaalsContact N-NH1 3.19Å; E68-R195 WeakPolarHBondContact OE2-CB 3.43Å; R195-C198 WeakPolarHBondContact O-CB 3.03Å; R195-C198 PolarHBondContact O-N 3.04Å; R195-C198 PolarHBondContact O-SG 2.81Å
196	W	95.6	Very high	95	Very high	220 Å²	220	73.2 Å²	73.2	83%	0.833	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	132.9	177.3	-173.1	93.2	0	0	0	110.6
197	P	96.4	Very high	95.1	Very high	25 Å²	25	68.3 Å²	68.3	16%	0.162	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.7	12.8	19.3	37.1	-38.3	0	0	0	116.8	Q58	Q58-P197 HydrophobicContact CG-CB 4.48Å; Q58-P197 WeakPolarHBondContact CG-O 3.29Å
198	C	96.9	Very high	95.2	Very high	15 Å²	15	71.4 Å²	71.4	10%	0.101	35%	0.35	C	S	.	.	S	Bend	trans	-61.8	141	-173.2	-59.2	0	0	0	0	114.6	C61 C65 R195 N200 V202	C61-C198 WeakPolarHBondContact CA-SG 3.44Å; C61-C198 HydrophobicContact CB-CB 4.08Å; C61-C198 WeakPolarHBondContact CB-SG 3.19Å; C61-C198 VanDerWaalsContact SG-CA 3.6Å; C61-C198 WeakPolarHBondContact SG-CB 3.39Å; C61-C198 CovalentContact SG-SG 2.03Å; C61-C198 PolarHBondContact SG-SG 3.25Å; C65-C198 PolarHBondContact SG-SG 3.16Å; R195-C198 WeakPolarHBondContact O-CB 3.03Å; R195-C198 PolarHBondContact O-N 3.04Å; R195-C198 PolarHBondContact O-SG 2.81Å; C198-N200 PolarHBondContact O-N 2.94Å; C198-V202 HydrophobicContact CB-CG1 4.31Å; C198-V202 HydrophobicContact CB-CG2 4.26Å
199	P	94.6	Very high	95.3	Very high	64 Å²	64	64.5 Å²	64.5	42%	0.416	33%	0.327	S	S	.	.	S	Bend	trans	-82.7	100.2	178.4	32.6	-32.9	0	0	0	111	Q58 V202	Q58-P199 HydrophobicContact CB-CG 4.22Å; P199-V202 HydrophobicContact CG-CG1 4.46Å
200	N	94.8	Very high	95.3	Very high	143 Å²	143	66 Å²	66	77%	0.765	33%	0.334	S	S	*	.	S	Bend	trans	61	-157.1	-171.5	-42.6	-82.6	0	0	0	111.5	C198	C198-N200 PolarHBondContact O-N 2.94Å
201	T	96.6	Very high	95.1	Very high	91 Å²	91	65.6 Å²	65.6	56%	0.558	33%	0.331	S	S	*	.	S	Bend	trans	-79.2	119.1	174.1	-47.1	0	0	0	0	110.7	K192 C193	K192-T201 HydrophobicContact CB-CG2 3.99Å; C193-T201 CarbonylContact O-C 3.49Å; C193-T201 VanDerWaalsContact O-CA 3.25Å; C193-T201 WeakPolarHBondContact O-CA 3.46Å
202	V	97.3	Very high	95	Very high	10 Å²	10	63.1 Å²	63.1	6%	0.061	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	150.7	172.9	-60.4	0	0	0	0	111.2	C193 C198 P199	C193-V202 HydrophobicContact CB-CG2 3.91Å; C193-V202 PolarHBondContact N-O 2.91Å; C193-V202 PolarHBondContact O-N 3.47Å; C198-V202 HydrophobicContact CB-CG1 4.31Å; C198-V202 HydrophobicContact CB-CG2 4.26Å; P199-V202 HydrophobicContact CG-CG1 4.46Å
203	D	97.3	Very high	94.8	Very high	54 Å²	54	57.6 Å²	57.6	29%	0.289	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.3	172.7	-85.4	-27	0	0	0	109.3	N55 L190 K192	N55-D203 WeakPolarHBondContact CB-O 3.21Å; N55-D203 PolarHBondContact N-O 2.98Å; L190-D203 HydrophobicContact CD1-CB 3.78Å; K192-D203 WeakPolarHBondContact CE-OD1 3.23Å; K192-D203 WeakPolarHBondContact CG-OD1 3.34Å; K192-D203 IonicContact NZ-OD1 3.04Å; K192-D203 PolarHBondContact NZ-OD1 2.93Å; K192-D203 IonicContact NZ-OD2 3.97Å; K192-D203 PolarHBondContact NZ-OD2 3.34Å
204	C	96.6	Very high	94.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.6	178.6	-54.8	0	0	0	0	111.6	F52 T53 C54 L190 Y191	F52-C204 HydrophobicContact CE1-CB 4.08Å; F52-C204 HydrophobicContact CE2-CB 4.15Å; F52-C204 HydrophobicContact CZ-CB 3.62Å; T53-C204 CarbonylContact O-C 3.53Å; T53-C204 WeakPolarHBondContact O-CA 3.39Å; C54-C204 HydrophobicContact CB-CB 4.07Å; C54-C204 WeakPolarHBondContact CB-SG 3.47Å; C54-C204 WeakPolarHBondContact SG-CB 3.08Å; C54-C204 CovalentContact SG-SG 2.04Å; C54-C204 PolarHBondContact SG-SG 3.31Å; L190-C204 WeakPolarHBondContact CA-O 3.4Å; Y191-C204 PolarHBondContact N-O 3.04Å; Y191-C204 PolarHBondContact O-N 3.32Å
205	F	95.8	Very high	94.3	Very high	103 Å²	103	62.3 Å²	62.3	45%	0.452	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.2	-174.3	-59.9	-81.2	0	0	0	111.1	F52 T53 P189 L190	F52-F205 WeakPolarHBondContact CA-O 3.36Å; T53-F205 PolarHBondContact N-O 2.93Å; T53-F205 VanDerWaalsContact N-O 3.16Å; T53-F205 PolarHBondContact O-N 3.06Å; P189-F205 WeakPolarHBondContact O-CA 3.18Å; L190-F205 HydrophobicContact CD1-CD1 4.15Å; L190-F205 HydrophobicContact CD1-CE1 3.76Å; L190-F205 HydrophobicContact CD1-CZ 4.11Å
206	I	94	Very high	94.1	Very high	15 Å²	15	58.5 Å²	58.5	8%	0.077	30%	0.296	C	S	.	.			trans	-97.3	122.3	-177.7	-68.9	161.5	0	0	0	109.1	F52 F70 L187 R188 P189 P209	F52-I206 HydrophobicContact CD2-CG1 3.96Å; F52-I206 HydrophobicContact CE2-CG1 3.9Å; F70-I206 HydrophobicContact CE2-CD1 4.23Å; F70-I206 HydrophobicContact CE2-CG1 4.02Å; F70-I206 HydrophobicContact CE2-CG2 4.42Å; F70-I206 HydrophobicContact CZ-CD1 3.8Å; F70-I206 HydrophobicContact CZ-CG1 3.93Å; F70-I206 HydrophobicContact CZ-CG2 3.9Å; L187-I206 HydrophobicContact CD1-CD1 4.15Å; L187-I206 HydrophobicContact CD2-CG2 3.78Å; L187-I206 HydrophobicContact CG-CD1 4.5Å; L187-I206 HydrophobicContact CG-CG2 4.11Å; R188-I206 VanDerWaalsContact O-CD1 3.3Å; R188-I206 WeakPolarHBondContact O-CD1 3.42Å; P189-I206 PolarHBondContact O-N 3.08Å; I206-P209 HydrophobicContact CG2-CB 4.37Å; I206-P209 WeakPolarHBondContact O-CD 3.27Å
207	S	91.6	Very high	94	Very high	18 Å²	18	52 Å²	52	13%	0.126	28%	0.277	C	S	.	.	S	Bend	trans	-62.5	140.2	175.3	-179.8	0	0	0	0	112.6	K212	S207-K212 WeakPolarHBondContact O-CD 3Å; S207-K212 WeakPolarHBondContact O-CE 2.98Å; S207-K212 PolarHBondContact O-NZ 3.37Å
208	R	91.4	Very high	93.7	Very high	88 Å²	88	54.1 Å²	54.1	33%	0.332	28%	0.283	S	S	.	.	S	Bend	trans	50	46.8	174.9	-61.1	166.1	-173.7	-103	15.7	115.6	D47 T210 E211 K212	D47-R208 IonicContact OD1-NE 2.87Å; D47-R208 IonicContact OD2-CZ 3.76Å; D47-R208 IonicContact OD2-NE 3.66Å; D47-R208 PolarHBondContact OD2-NE 3.45Å; D47-R208 IonicContact OD2-NH2 3.83Å; D47-R208 PolarHBondContact OD2-NH2 3.26Å; R208-T210 VanDerWaalsContact C-N 3.35Å; R208-T210 PolarHBondContact O-N 2.99Å; R208-E211 HydrophobicContact CB-CB 4.14Å; R208-E211 VanDerWaalsContact CD-OE2 3.24Å; R208-E211 WeakPolarHBondContact CD-OE2 3.37Å; R208-E211 WeakPolarHBondContact CG-OE2 3.38Å; R208-E211 IonicContact CZ-OE2 3.92Å; R208-E211 IonicContact NE-OE2 3.53Å; R208-E211 IonicContact NH1-OE1 2.81Å; R208-E211 IonicContact NH1-OE2 3.39Å; R208-E211 PolarHBondContact NH1-OE2 3.3Å; R208-E211 PolarHBondContact O-N 2.74Å; R208-K212 HydrophobicContact CB-CD 4.36Å; R208-K212 HydrophobicContact CB-CG 4.42Å; R208-K212 WeakPolarHBondContact O-CB 3.37Å; R208-K212 VanDerWaalsContact O-CG 3.3Å; R208-K212 WeakPolarHBondContact O-CG 3.25Å; R208-K212 PolarHBondContact O-N 3.07Å
209	P	92.9	Very high	93.4	Very high	25 Å²	25	53.7 Å²	53.7	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-71.2	-30.1	-168.6	29.9	-32.3	0	0	0	112.7	P189 I206 T213	P189-P209 HydrophobicContact CB-CB 4.42Å; P189-P209 HydrophobicContact CB-CG 3.83Å; I206-P209 HydrophobicContact CG2-CB 4.37Å; I206-P209 WeakPolarHBondContact O-CD 3.27Å; P209-T213 VanDerWaalsContact O-CB 3.24Å; P209-T213 WeakPolarHBondContact O-CB 3.17Å; P209-T213 PolarHBondContact O-N 2.94Å; P209-T213 PolarHBondContact O-OG1 3.01Å
210	T	92.4	Very high	93.3	Very high	107 Å²	107	52.2 Å²	52.2	66%	0.656	27%	0.269	S	S	*	.	H	α-helix	trans	-70.3	-48.6	174.3	43.3	0	0	0	0	111.9	R208 T213 I214	R208-T210 VanDerWaalsContact C-N 3.35Å; R208-T210 PolarHBondContact O-N 2.99Å; T210-T213 WeakPolarHBondContact O-CB 3.5Å; T210-T213 PolarHBondContact O-N 3.02Å; T210-I214 WeakPolarHBondContact O-CG1 3.42Å; T210-I214 PolarHBondContact O-N 3.2Å
211	E	91.6	Very high	93.3	Very high	57 Å²	57	49.4 Å²	49.4	27%	0.266	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-51.8	177.5	-172.5	175.6	-158.1	0	0	110.9	V44 R208 T213 I214 F215	V44-E211 HydrophobicContact CG1-CG 3.8Å; V44-E211 HydrophobicContact CG2-CG 4.29Å; R208-E211 HydrophobicContact CB-CB 4.14Å; R208-E211 VanDerWaalsContact CD-OE2 3.24Å; R208-E211 WeakPolarHBondContact CD-OE2 3.37Å; R208-E211 WeakPolarHBondContact CG-OE2 3.38Å; R208-E211 IonicContact CZ-OE2 3.92Å; R208-E211 IonicContact NE-OE2 3.53Å; R208-E211 IonicContact NH1-OE1 2.81Å; R208-E211 IonicContact NH1-OE2 3.39Å; R208-E211 PolarHBondContact NH1-OE2 3.3Å; R208-E211 PolarHBondContact O-N 2.74Å; E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 3.18Å; E211-I214 WeakPolarHBondContact O-CB 3.41Å; E211-I214 PolarHBondContact O-N 3.43Å; E211-F215 HydrophobicContact CG-CD2 4.32Å; E211-F215 HydrophobicContact CG-CE2 4.08Å; E211-F215 WeakPolarHBondContact O-CD2 3.32Å; E211-F215 PolarHBondContact O-N 3Å; E211-F215 VanDerWaalsContact O-N 3.16Å
212	K	91.9	Very high	93	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-55.8	-41.1	173.8	-69.6	170.7	-178.6	159.8	0	111.4	V44 W45 D47 L187 S207 R208 F215 I216	V44-K212 HydrophobicContact CG1-CG 3.83Å; V44-K212 WeakPolarHBondContact O-CE 3.34Å; V44-K212 PolarHBondContact O-NZ 3.14Å; W45-K212 HydrophobicContact CD2-CG 4.4Å; W45-K212 HydrophobicContact CH2-CB 4.49Å; W45-K212 HydrophobicContact CH2-CG 4.37Å; W45-K212 HydrophobicContact CZ2-CB 3.89Å; W45-K212 HydrophobicContact CZ2-CG 3.77Å; D47-K212 IonicContact OD1-NZ 3.48Å; L187-K212 HydrophobicContact CD2-CB 4.03Å; L187-K212 HydrophobicContact CD2-CD 4.25Å; S207-K212 WeakPolarHBondContact O-CD 3Å; S207-K212 WeakPolarHBondContact O-CE 2.98Å; S207-K212 PolarHBondContact O-NZ 3.37Å; R208-K212 HydrophobicContact CB-CD 4.36Å; R208-K212 HydrophobicContact CB-CG 4.42Å; R208-K212 WeakPolarHBondContact O-CB 3.37Å; R208-K212 VanDerWaalsContact O-CG 3.3Å; R208-K212 WeakPolarHBondContact O-CG 3.25Å; R208-K212 PolarHBondContact O-N 3.07Å; K212-F215 PolarHBondContact O-N 3.35Å; K212-I216 WeakPolarHBondContact O-CB 3.04Å; K212-I216 WeakPolarHBondContact O-CD1 2.93Å; K212-I216 WeakPolarHBondContact O-CG1 3.1Å; K212-I216 PolarHBondContact O-N 2.85Å
213	T	92.8	Very high	92.7	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.08	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-40.7	174.7	-65.3	0	0	0	0	113.1	Q186 L187 P209 T210 E211 F215 I216 I217	Q186-T213 HydrophobicContact CB-CG2 4.33Å; Q186-T213 HydrophobicContact CG-CG2 4.18Å; L187-T213 PolarHBondContact N-OG1 2.93Å; P209-T213 VanDerWaalsContact O-CB 3.24Å; P209-T213 WeakPolarHBondContact O-CB 3.17Å; P209-T213 PolarHBondContact O-N 2.94Å; P209-T213 PolarHBondContact O-OG1 3.01Å; T210-T213 WeakPolarHBondContact O-CB 3.5Å; T210-T213 PolarHBondContact O-N 3.02Å; E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 3.18Å; T213-F215 PolarHBondContact O-N 3.16Å; T213-I216 PolarHBondContact O-N 2.91Å; T213-I217 HydrophobicContact CG2-CD1 3.72Å; T213-I217 HydrophobicContact CG2-CG1 4.29Å; T213-I217 WeakPolarHBondContact O-CG1 3.38Å; T213-I217 PolarHBondContact O-N 3.27Å
214	I	92.7	Very high	92.5	Very high	116 Å²	116	45.4 Å²	45.4	60%	0.595	24%	0.236	S	C	*	.	H	α-helix	trans	-60.3	-47.4	177.4	-69.9	162.5	0	0	0	110.3	T210 E211 I217 F218	T210-I214 WeakPolarHBondContact O-CG1 3.42Å; T210-I214 PolarHBondContact O-N 3.2Å; E211-I214 WeakPolarHBondContact O-CB 3.41Å; E211-I214 PolarHBondContact O-N 3.43Å; I214-I217 PolarHBondContact O-N 3.36Å; I214-F218 VanDerWaalsContact O-CB 3.27Å; I214-F218 WeakPolarHBondContact O-CB 3.46Å; I214-F218 PolarHBondContact O-N 3.1Å
215	F	91.4	Very high	92.3	Very high	53 Å²	53	47.8 Å²	47.8	23%	0.232	25%	0.25	C	S	.	.	H	α-helix	trans	-65.8	-36.6	176.5	-76.7	-75.1	0	0	0	113	V36 A40 V44 W45 W78 E211 K212 T213 F218 M219	V36-F215 HydrophobicContact CG1-CD1 3.89Å; V36-F215 HydrophobicContact CG1-CE1 4.02Å; A40-F215 HydrophobicContact CB-CD1 3.95Å; A40-F215 HydrophobicContact CB-CE1 3.65Å; A40-F215 HydrophobicContact CB-CE2 4.35Å; A40-F215 HydrophobicContact CB-CG 4.42Å; A40-F215 HydrophobicContact CB-CZ 3.87Å; V44-F215 HydrophobicContact CG1-CD2 4.13Å; V44-F215 HydrophobicContact CG1-CE2 4.31Å; V44-F215 HydrophobicContact CG2-CD2 4.3Å; V44-F215 HydrophobicContact CG2-CE2 3.71Å; V44-F215 HydrophobicContact CG2-CZ 4.29Å; W45-F215 HydrophobicContact CH2-CB 3.61Å; W45-F215 HydrophobicContact CH2-CD2 4.49Å; W45-F215 HydrophobicContact CH2-CG 4.25Å; W45-F215 HydrophobicContact CZ3-CB 4.07Å; W45-F215 HydrophobicContact CZ3-CD2 4.35Å; W45-F215 HydrophobicContact CZ3-CG 4.24Å; W78-F215 HydrophobicContact CH2-CB 4.34Å; E211-F215 HydrophobicContact CG-CD2 4.32Å; E211-F215 HydrophobicContact CG-CE2 4.08Å; E211-F215 WeakPolarHBondContact O-CD2 3.32Å; E211-F215 PolarHBondContact O-N 3Å; E211-F215 VanDerWaalsContact O-N 3.16Å; K212-F215 PolarHBondContact O-N 3.35Å; T213-F215 PolarHBondContact O-N 3.16Å; F215-F218 PolarHBondContact O-N 3.36Å; F215-M219 WeakPolarHBondContact O-CB 3.37Å; F215-M219 WeakPolarHBondContact O-CG 3.27Å; F215-M219 PolarHBondContact O-N 3.38Å
216	I	92	Very high	92	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-49.5	173.4	-70.5	159.5	0	0	0	111.1	H74 W78 K212 T213 F218 M219 L220	H74-I216 VanDerWaalsContact NE2-CD1 3.34Å; H74-I216 WeakPolarHBondContact NE2-CD1 3.37Å; W78-I216 HydrophobicContact CH2-CG1 4.04Å; W78-I216 HydrophobicContact CZ2-CB 4.38Å; W78-I216 HydrophobicContact CZ2-CG1 3.79Å; K212-I216 WeakPolarHBondContact O-CB 3.04Å; K212-I216 WeakPolarHBondContact O-CD1 2.93Å; K212-I216 WeakPolarHBondContact O-CG1 3.1Å; K212-I216 PolarHBondContact O-N 2.85Å; T213-I216 PolarHBondContact O-N 2.91Å; I216-F218 VanDerWaalsContact C-N 3.33Å; I216-F218 PolarHBondContact O-N 3.4Å; I216-M219 PolarHBondContact O-N 2.87Å; I216-L220 VanDerWaalsContact O-CB 3.31Å; I216-L220 WeakPolarHBondContact O-CB 3.37Å; I216-L220 PolarHBondContact O-N 2.98Å
217	I	92.7	Very high	91.9	Very high	82 Å²	82	43.9 Å²	43.9	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-42.9	178.3	-68.5	169.3	0	0	0	110.5	T213 I214 L220 V221	T213-I217 HydrophobicContact CG2-CD1 3.72Å; T213-I217 HydrophobicContact CG2-CG1 4.29Å; T213-I217 WeakPolarHBondContact O-CG1 3.38Å; T213-I217 PolarHBondContact O-N 3.27Å; I214-I217 PolarHBondContact O-N 3.36Å; I217-L220 WeakPolarHBondContact O-CB 3.28Å; I217-L220 PolarHBondContact O-N 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.33Å; I217-V221 PolarHBondContact O-N 3.21Å
218	F	91.3	Very high	91.9	Very high	70 Å²	70	47.8 Å²	47.8	31%	0.307	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-50.3	176.9	174.3	-81.9	0	0	0	112	F32 V36 I214 F215 I216 L220 V221 V222	F32-F218 HydrophobicContact CD1-CE1 4.45Å; F32-F218 AromaticContact CD1-CZ 3.97Å; F32-F218 HydrophobicContact CD1-CZ 3.97Å; F32-F218 HydrophobicContact CE1-CE1 4.09Å; F32-F218 AromaticContact CE1-CE2 3.81Å; F32-F218 HydrophobicContact CE1-CE2 3.81Å; F32-F218 AromaticContact CE1-CZ 3.23Å; F32-F218 HydrophobicContact CE1-CZ 3.23Å; F32-F218 HydrophobicContact CE2-CZ 4.21Å; F32-F218 AromaticContact CZ-CE2 3.82Å; F32-F218 HydrophobicContact CZ-CE2 3.82Å; F32-F218 AromaticContact CZ-CZ 3.39Å; F32-F218 HydrophobicContact CZ-CZ 3.39Å; V36-F218 HydrophobicContact CB-CE1 4.06Å; V36-F218 HydrophobicContact CG1-CD1 4.2Å; V36-F218 HydrophobicContact CG1-CE1 3.8Å; V36-F218 HydrophobicContact CG2-CE1 3.67Å; V36-F218 HydrophobicContact CG2-CZ 3.77Å; I214-F218 VanDerWaalsContact O-CB 3.27Å; I214-F218 WeakPolarHBondContact O-CB 3.46Å; I214-F218 PolarHBondContact O-N 3.1Å; F215-F218 PolarHBondContact O-N 3.36Å; I216-F218 VanDerWaalsContact C-N 3.33Å; I216-F218 PolarHBondContact O-N 3.4Å; F218-L220 VanDerWaalsContact C-N 3.3Å; F218-L220 PolarHBondContact O-N 3.09Å; F218-V221 PolarHBondContact O-N 2.93Å; F218-V221 VanDerWaalsContact O-N 3.14Å; F218-V222 HydrophobicContact CD1-CG2 4.39Å; F218-V222 HydrophobicContact CE1-CG2 4.12Å; F218-V222 HydrophobicContact CZ-CG2 4.46Å; F218-V222 WeakPolarHBondContact O-CG2 3.42Å; F218-V222 PolarHBondContact O-N 2.94Å
219	M	90.8	Very high	91.8	Very high	6 Å²	6	45 Å²	45	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-36.1	179.1	-72.7	-67.7	-83.5	0	0	111.5	R33 V36 L37 W78 F215 I216 V222 A223	R33-M219 HydrophobicContact CB-CE 4.23Å; R33-M219 HydrophobicContact CG-CE 4.25Å; R33-M219 HydrophobicContact CG-SD 4.27Å; V36-M219 HydrophobicContact CG1-SD 4.42Å; L37-M219 HydrophobicContact CD1-CE 4.2Å; L37-M219 HydrophobicContact CG-CE 4.35Å; W78-M219 HydrophobicContact CB-CE 3.81Å; W78-M219 HydrophobicContact CD2-CB 4.38Å; W78-M219 HydrophobicContact CD2-CE 3.82Å; W78-M219 HydrophobicContact CD2-CG 4.08Å; W78-M219 HydrophobicContact CE3-CE 3.99Å; W78-M219 HydrophobicContact CE3-CG 4.06Å; W78-M219 HydrophobicContact CG-CE 3.74Å; W78-M219 HydrophobicContact CH2-CG 4.12Å; W78-M219 HydrophobicContact CZ2-CB 4.09Å; W78-M219 HydrophobicContact CZ2-CG 4.14Å; W78-M219 HydrophobicContact CZ3-CG 4.09Å; F215-M219 WeakPolarHBondContact O-CB 3.37Å; F215-M219 WeakPolarHBondContact O-CG 3.27Å; F215-M219 PolarHBondContact O-N 3.38Å; I216-M219 PolarHBondContact O-N 2.87Å; M219-V222 PolarHBondContact O-N 3.46Å; M219-A223 WeakPolarHBondContact O-CB 3.25Å; M219-A223 PolarHBondContact O-N 3.49Å
220	L	92.4	Very high	91.6	Very high	34 Å²	34	43.8 Å²	43.8	18%	0.178	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-43	171.4	176.5	64.4	0	0	0	112.4	I176 F185 I216 I217 F218 A223 C224	I176-L220 HydrophobicContact CG1-CD1 4.31Å; I176-L220 HydrophobicContact CG2-CD1 4.01Å; F185-L220 HydrophobicContact CD1-CD2 3.5Å; F185-L220 VanDerWaalsContact CD1-CD2 3.5Å; F185-L220 HydrophobicContact CE1-CD2 3.52Å; I216-L220 VanDerWaalsContact O-CB 3.31Å; I216-L220 WeakPolarHBondContact O-CB 3.37Å; I216-L220 PolarHBondContact O-N 2.98Å; I217-L220 WeakPolarHBondContact O-CB 3.28Å; I217-L220 PolarHBondContact O-N 3.3Å; F218-L220 VanDerWaalsContact C-N 3.3Å; F218-L220 PolarHBondContact O-N 3.09Å; L220-A223 WeakPolarHBondContact O-CB 3.26Å; L220-A223 PolarHBondContact O-N 3.43Å; L220-A223 VanDerWaalsContact O-N 3.16Å; L220-C224 PolarHBondContact O-N 3.27Å; L220-C224 PolarHBondContact O-SG 3.37Å; L220-C224 VanDerWaalsContact O-SG 3.35Å
221	V	92.9	Very high	91.5	Very high	83 Å²	83	42.5 Å²	42.5	50%	0.503	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-44	175.3	169.1	0	0	0	0	110.8	I217 F218 A223 C224 V225	I217-V221 WeakPolarHBondContact O-CG2 3.33Å; I217-V221 PolarHBondContact O-N 3.21Å; F218-V221 PolarHBondContact O-N 2.93Å; F218-V221 VanDerWaalsContact O-N 3.14Å; V221-A223 VanDerWaalsContact C-N 3.25Å; V221-A223 PolarHBondContact O-N 2.03Å; V221-C224 PolarHBondContact O-N 3.38Å; V221-V225 HydrophobicContact CG1-CG2 4.39Å; V221-V225 WeakPolarHBondContact O-CG2 3.35Å; V221-V225 PolarHBondContact O-N 3.01Å
222	V	91.4	Very high	91.4	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-24.6	176	-175.8	0	0	0	0	112	L29 F32 R33 F218 M219 S226	L29-V222 HydrophobicContact CB-CG1 4.28Å; L29-V222 HydrophobicContact CD2-CG1 4Å; F32-V222 HydrophobicContact CD1-CG2 4.01Å; F32-V222 HydrophobicContact CE1-CG2 4.12Å; R33-V222 HydrophobicContact CG-CG1 3.66Å; R33-V222 PolarHBondContact NH2-O 3Å; F218-V222 HydrophobicContact CD1-CG2 4.39Å; F218-V222 HydrophobicContact CE1-CG2 4.12Å; F218-V222 HydrophobicContact CZ-CG2 4.46Å; F218-V222 WeakPolarHBondContact O-CG2 3.42Å; F218-V222 PolarHBondContact O-N 2.94Å; M219-V222 PolarHBondContact O-N 3.46Å; V222-S226 WeakPolarHBondContact O-CB 3.34Å; V222-S226 PolarHBondContact O-N 2.86Å
223	A	91.7	Very high	91.1	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-71.2	-50.9	168.9	0	0	0	0	0	111.9	I176 M219 L220 V221 V225 S226 L227	I176-A223 HydrophobicContact CD1-CB 3.85Å; I176-A223 HydrophobicContact CG1-CB 3.75Å; M219-A223 WeakPolarHBondContact O-CB 3.25Å; M219-A223 PolarHBondContact O-N 3.49Å; L220-A223 WeakPolarHBondContact O-CB 3.26Å; L220-A223 PolarHBondContact O-N 3.43Å; L220-A223 VanDerWaalsContact O-N 3.16Å; V221-A223 VanDerWaalsContact C-N 3.25Å; V221-A223 PolarHBondContact O-N 2.03Å; A223-V225 PolarHBondContact O-N 2.92Å; A223-S226 PolarHBondContact O-N 3.31Å; A223-L227 WeakPolarHBondContact O-CB 3.4Å; A223-L227 PolarHBondContact O-N 3.47Å
224	C	93.2	Very high	90.8	Very high	61 Å²	61	47.1 Å²	47.1	41%	0.412	25%	0.25	S	S	.	.	H	α-helix	trans	-61.8	-38.9	178.6	-70.1	0	0	0	0	113.1	L220 V221 L227 L228	L220-C224 PolarHBondContact O-N 3.27Å; L220-C224 PolarHBondContact O-SG 3.37Å; L220-C224 VanDerWaalsContact O-SG 3.35Å; V221-C224 PolarHBondContact O-N 3.38Å; C224-L227 PolarHBondContact O-N 3.45Å; C224-L228 WeakPolarHBondContact O-CB 3.47Å; C224-L228 PolarHBondContact O-N 3.45Å
225	V	91.9	Very high	90.5	Very high	50 Å²	50	48.3 Å²	48.3	30%	0.303	25%	0.248	S	C	.	.	H	α-helix	trans	-69.4	-40.8	176.2	176.9	0	0	0	0	111.4	W25 L29 V221 A223 L228 L229	W25-V225 HydrophobicContact CZ3-CG1 4.31Å; L29-V225 HydrophobicContact CD1-CG1 3.9Å; L29-V225 HydrophobicContact CD2-CG1 4.3Å; V221-V225 HydrophobicContact CG1-CG2 4.39Å; V221-V225 WeakPolarHBondContact O-CG2 3.35Å; V221-V225 PolarHBondContact O-N 3.01Å; A223-V225 PolarHBondContact O-N 2.92Å; V225-L228 PolarHBondContact O-N 3.49Å; V225-L229 HydrophobicContact CG1-CD1 4.08Å; V225-L229 WeakPolarHBondContact O-CD1 3.4Å; V225-L229 WeakPolarHBondContact O-CG 3.35Å; V225-L229 PolarHBondContact O-N 3.48Å
226	S	89.9	Confident	90.2	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.035	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-46.2	172.2	173.6	0	0	0	0	111.4	E172 V222 A223 L228 L229 N230	E172-S226 WeakPolarHBondContact OE2-CB 3.01Å; E172-S226 PolarHBondContact OE2-OG 3.37Å; V222-S226 WeakPolarHBondContact O-CB 3.34Å; V222-S226 PolarHBondContact O-N 2.86Å; A223-S226 PolarHBondContact O-N 3.31Å; S226-L228 PolarHBondContact O-N 2.91Å; S226-L229 PolarHBondContact O-N 2.83Å; S226-N230 PolarHBondContact O-N 3.11Å; S226-N230 PolarHBondContact O-ND2 3.49Å; S226-N230 PolarHBondContact OG-ND2 2.03Å
227	L	91.8	Very high	89.8	Confident	30 Å²	30	51.3 Å²	51.3	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-57.1	-49.2	176.1	177.8	57.8	0	0	0	111.4	T169 E172 V173 I176 A223 C224 L229 N230 L231	T169-L227 HydrophobicContact CG2-CD1 3.78Å; E172-L227 HydrophobicContact CG-CB 4.14Å; V173-L227 HydrophobicContact CG2-CD1 3.68Å; V173-L227 HydrophobicContact CG2-CD2 3.78Å; V173-L227 HydrophobicContact CG2-CG 4.41Å; I176-L227 HydrophobicContact CD1-CD2 3.99Å; A223-L227 WeakPolarHBondContact O-CB 3.4Å; A223-L227 PolarHBondContact O-N 3.47Å; C224-L227 PolarHBondContact O-N 3.45Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.28Å; L227-N230 PolarHBondContact O-N 3.05Å; L227-L231 HydrophobicContact CD1-CD1 4.11Å; L227-L231 HydrophobicContact CD1-CG 4.22Å; L227-L231 HydrophobicContact CG-CD1 4.05Å; L227-L231 WeakPolarHBondContact O-CB 3.3Å; L227-L231 VanDerWaalsContact O-CG 3.3Å; L227-L231 WeakPolarHBondContact O-CG 3.24Å; L227-L231 PolarHBondContact O-N 3.33Å
228	L	91.6	Very high	89.3	Confident	100 Å²	100	49.2 Å²	49.2	52%	0.524	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-40.7	177.2	-179.9	61.6	0	0	0	112.1	C224 V225 S226 L231 L232	C224-L228 WeakPolarHBondContact O-CB 3.47Å; C224-L228 PolarHBondContact O-N 3.45Å; V225-L228 PolarHBondContact O-N 3.49Å; S226-L228 PolarHBondContact O-N 2.91Å; L228-L231 PolarHBondContact O-N 3.23Å; L228-L232 HydrophobicContact CD1-CD1 4.34Å; L228-L232 HydrophobicContact CD1-CG 4.34Å; L228-L232 HydrophobicContact CG-CD1 4.07Å; L228-L232 WeakPolarHBondContact O-CB 3.36Å; L228-L232 VanDerWaalsContact O-CG 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.44Å; L228-L232 PolarHBondContact O-N 3.37Å
229	L	88.8	Confident	88.8	Confident	29 Å²	29	52.7 Å²	52.7	15%	0.152	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-42.5	177.2	-71.9	162.6	0	0	0	112.5	W25 L26 L29 V225 S226 L227 L231 L232 E233	W25-L229 HydrophobicContact CB-CD1 3.81Å; W25-L229 HydrophobicContact CB-CD2 4.33Å; W25-L229 HydrophobicContact CD2-CD1 4.35Å; W25-L229 HydrophobicContact CE3-CD1 3.92Å; W25-L229 HydrophobicContact CG-CD1 4.37Å; W25-L229 HydrophobicContact CG-CD2 4.5Å; L26-L229 HydrophobicContact CD2-CB 3.83Å; L26-L229 HydrophobicContact CD2-CD1 4.15Å; L29-L229 HydrophobicContact CD1-CD1 3.38Å; V225-L229 HydrophobicContact CG1-CD1 4.08Å; V225-L229 WeakPolarHBondContact O-CD1 3.4Å; V225-L229 WeakPolarHBondContact O-CG 3.35Å; V225-L229 PolarHBondContact O-N 3.48Å; S226-L229 PolarHBondContact O-N 2.83Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.28Å; L229-L231 VanDerWaalsContact C-N 3.27Å; L229-L231 PolarHBondContact O-N 3.42Å; L229-L232 PolarHBondContact O-N 3.12Å; L229-E233 WeakPolarHBondContact O-CB 3.46Å; L229-E233 PolarHBondContact O-N 2.89Å
230	N	88.7	Confident	88.3	Confident	1 Å²	1	58 Å²	58	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-39.5	174.2	-57.5	-39.9	0	0	0	110.6	I165 K168 S226 L227 E233 I234	I165-N230 HydrophobicContact CG2-CB 4.39Å; K168-N230 WeakPolarHBondContact CE-OD1 3.48Å; K168-N230 PolarHBondContact NZ-OD1 3.03Å; S226-N230 PolarHBondContact O-N 3.11Å; S226-N230 PolarHBondContact O-ND2 3.49Å; S226-N230 PolarHBondContact OG-ND2 2.03Å; L227-N230 PolarHBondContact O-N 3.05Å; N230-E233 PolarHBondContact O-N 3.41Å; N230-I234 PolarHBondContact O-N 3.25Å; N230-I234 VanDerWaalsContact O-N 3.08Å
231	L	89.9	Confident	87.6	Confident	80 Å²	80	62 Å²	62	42%	0.419	31%	0.313	S	S	.	.	H	α-helix	trans	-68.1	-40.6	175.8	-70.9	173.1	0	0	0	113	T169 L227 L228 L229 E233 I234 Y235	T169-L231 HydrophobicContact CG2-CD2 4.11Å; L227-L231 HydrophobicContact CD1-CD1 4.11Å; L227-L231 HydrophobicContact CD1-CG 4.22Å; L227-L231 HydrophobicContact CG-CD1 4.05Å; L227-L231 WeakPolarHBondContact O-CB 3.3Å; L227-L231 VanDerWaalsContact O-CG 3.3Å; L227-L231 WeakPolarHBondContact O-CG 3.24Å; L227-L231 PolarHBondContact O-N 3.33Å; L228-L231 PolarHBondContact O-N 3.23Å; L229-L231 VanDerWaalsContact C-N 3.27Å; L229-L231 PolarHBondContact O-N 3.42Å; L231-E233 VanDerWaalsContact C-N 3.33Å; L231-I234 VanDerWaalsContact O-CG2 3.31Å; L231-I234 WeakPolarHBondContact O-CG2 3.07Å; L231-Y235 WeakPolarHBondContact O-CB 3.34Å; L231-Y235 PolarHBondContact O-N 3.37Å
232	L	89.4	Confident	86.7	Confident	93 Å²	93	63.1 Å²	63.1	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-35.3	174.2	-73.2	168.7	0	0	0	111.8	L228 L229 H236	L228-L232 HydrophobicContact CD1-CD1 4.34Å; L228-L232 HydrophobicContact CD1-CG 4.34Å; L228-L232 HydrophobicContact CG-CD1 4.07Å; L228-L232 WeakPolarHBondContact O-CB 3.36Å; L228-L232 VanDerWaalsContact O-CG 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.44Å; L228-L232 PolarHBondContact O-N 3.37Å; L229-L232 PolarHBondContact O-N 3.12Å; L232-H236 VanDerWaalsContact O-CB 3.26Å; L232-H236 WeakPolarHBondContact O-CB 3.43Å; L232-H236 PolarHBondContact O-N 2.83Å
233	E	85.9	Confident	86.1	Confident	24 Å²	24	69.4 Å²	69.4	11%	0.112	34%	0.342	C	S	.	.	H	α-helix	trans	-67.9	-48	177.4	-168.3	149.6	-127.5	0	0	111.4	T19 Y161 I165 L229 N230 L231 Y235 H236 L237	T19-E233 PolarHBondContact OG1-OE1 3.46Å; Y161-E233 PolarHBondContact OH-OE1 2.84Å; I165-E233 HydrophobicContact CD1-CG 4.06Å; L229-E233 WeakPolarHBondContact O-CB 3.46Å; L229-E233 PolarHBondContact O-N 2.89Å; N230-E233 PolarHBondContact O-N 3.41Å; L231-E233 VanDerWaalsContact C-N 3.33Å; E233-Y235 PolarHBondContact O-N 3.23Å; E233-H236 PolarHBondContact O-N 3.45Å; E233-L237 HydrophobicContact CG-CD1 4.27Å; E233-L237 WeakPolarHBondContact O-CD1 3.39Å; E233-L237 WeakPolarHBondContact O-CG 3.44Å; E233-L237 PolarHBondContact O-N 2.92Å
234	I	85.6	Confident	85.1	Confident	56 Å²	56	74.1 Å²	74.1	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-66	-36.1	174	-164.7	169.2	0	0	0	112.5	I165 I166 N230 L231 L237 G238	I165-I234 HydrophobicContact CG2-CB 4.04Å; I166-I234 HydrophobicContact CG1-CD1 3.98Å; N230-I234 PolarHBondContact O-N 3.25Å; N230-I234 VanDerWaalsContact O-N 3.08Å; L231-I234 VanDerWaalsContact O-CG2 3.31Å; L231-I234 WeakPolarHBondContact O-CG2 3.07Å; I234-L237 PolarHBondContact O-N 2.98Å; I234-G238 PolarHBondContact O-N 3.26Å
235	Y	87.6	Confident	83.9	Confident	140 Å²	140	73 Å²	73	55%	0.549	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-47.5	174.3	177	-103.8	0	0	0	112	L231 E233 L237 G238 W239	L231-Y235 WeakPolarHBondContact O-CB 3.34Å; L231-Y235 PolarHBondContact O-N 3.37Å; E233-Y235 PolarHBondContact O-N 3.23Å; Y235-L237 VanDerWaalsContact C-N 3.34Å; Y235-L237 PolarHBondContact O-N 2.83Å; Y235-G238 PolarHBondContact O-N 3.33Å; Y235-W239 HydrophobicContact CE2-CE3 4.21Å; Y235-W239 AromaticContact CZ-CE3 3.9Å; Y235-W239 VanDerWaalsContact O-CB 3.3Å; Y235-W239 WeakPolarHBondContact O-CB 3.42Å; Y235-W239 PolarHBondContact O-N 3.5Å
236	H	85.1	Confident	82.7	Confident	87 Å²	87	76.9 Å²	76.9	40%	0.403	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-34.8	178.4	166.6	-120.7	0	0	0	112.8	L232 E233 K240	L232-H236 VanDerWaalsContact O-CB 3.26Å; L232-H236 WeakPolarHBondContact O-CB 3.43Å; L232-H236 PolarHBondContact O-N 2.83Å; E233-H236 PolarHBondContact O-N 3.45Å; H236-K240 PolarHBondContact CE1-NZ 3.18Å; H236-K240 VanDerWaalsContact NE2-CE 3.3Å; H236-K240 WeakPolarHBondContact NE2-CE 3.41Å; H236-K240 PolarHBondContact NE2-NZ 3.46Å; H236-K240 WeakPolarHBondContact O-CB 3.37Å; H236-K240 WeakPolarHBondContact O-CG 3.33Å; H236-K240 PolarHBondContact O-N 2.68Å
237	L	82.9	Confident	81.2	Confident	36 Å²	36	80.5 Å²	80.5	19%	0.188	40%	0.401	C	S	.	.	H	α-helix	trans	-67.9	-46.4	172.1	-67.8	163.3	0	0	0	111.5	L158 Y161 I165 E233 I234 Y235 K240 K241	L158-L237 HydrophobicContact CD1-CD2 4.37Å; Y161-L237 HydrophobicContact CD1-CD1 4.09Å; Y161-L237 HydrophobicContact CE1-CD1 3.51Å; Y161-L237 HydrophobicContact CE1-CD2 4.09Å; Y161-L237 HydrophobicContact CE1-CG 4.42Å; I165-L237 HydrophobicContact CD1-CD1 3.69Å; E233-L237 HydrophobicContact CG-CD1 4.27Å; E233-L237 WeakPolarHBondContact O-CD1 3.39Å; E233-L237 WeakPolarHBondContact O-CG 3.44Å; E233-L237 PolarHBondContact O-N 2.92Å; I234-L237 PolarHBondContact O-N 2.98Å; Y235-L237 VanDerWaalsContact C-N 3.34Å; Y235-L237 PolarHBondContact O-N 2.83Å; L237-K240 PolarHBondContact O-N 2.92Å; L237-K241 PolarHBondContact O-N 3.39Å; L237-K241 VanDerWaalsContact O-N 3.1Å
238	G	81.7	Confident	79.5	Confident	38 Å²	38	85 Å²	85	39%	0.392	43%	0.425	S	S	.	.	H	α-helix	trans	-61	-48.6	177.2	0	0	0	0	0	112.3	I234 Y235 K240 K241 L242	I234-G238 PolarHBondContact O-N 3.26Å; Y235-G238 PolarHBondContact O-N 3.33Å; G238-K240 VanDerWaalsContact C-N 3.34Å; G238-K240 PolarHBondContact O-N 3.14Å; G238-K241 CarbonylContact O-C 3.56Å; G238-K241 WeakPolarHBondContact O-CA 3.3Å; G238-K241 WeakPolarHBondContact O-CB 3.35Å; G238-K241 PolarHBondContact O-N 3Å; G238-L242 PolarHBondContact O-N 3.01Å
239	W	82.4	Confident	77.6	Confident	143 Å²	143	88.7 Å²	88.7	54%	0.542	44%	0.44	S	S	.	.	H	α-helix	trans	-59.5	-41.5	177.7	-170.4	-93.2	0	0	0	112.4	Y235 K241 L242 K243	Y235-W239 HydrophobicContact CE2-CE3 4.21Å; Y235-W239 AromaticContact CZ-CE3 3.9Å; Y235-W239 VanDerWaalsContact O-CB 3.3Å; Y235-W239 WeakPolarHBondContact O-CB 3.42Å; Y235-W239 PolarHBondContact O-N 3.5Å; W239-K241 VanDerWaalsContact C-N 3.29Å; W239-K241 PolarHBondContact O-N 2.87Å; W239-L242 PolarHBondContact O-N 2.93Å; W239-K243 WeakPolarHBondContact O-CB 3.33Å; W239-K243 PolarHBondContact O-N 3.28Å
240	K	79.9	Confident	75.5	Confident	118 Å²	118	95.7 Å²	95.7	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-64.7	-32.2	173.9	-82.6	178.3	166.8	167.3	0	112.7	H236 L237 G238 Q244	H236-K240 PolarHBondContact CE1-NZ 3.18Å; H236-K240 VanDerWaalsContact NE2-CE 3.3Å; H236-K240 WeakPolarHBondContact NE2-CE 3.41Å; H236-K240 PolarHBondContact NE2-NZ 3.46Å; H236-K240 WeakPolarHBondContact O-CB 3.37Å; H236-K240 WeakPolarHBondContact O-CG 3.33Å; H236-K240 PolarHBondContact O-N 2.68Å; L237-K240 PolarHBondContact O-N 2.92Å; G238-K240 VanDerWaalsContact C-N 3.34Å; G238-K240 PolarHBondContact O-N 3.14Å; K240-Q244 WeakPolarHBondContact O-CB 3.43Å; K240-Q244 VanDerWaalsContact O-CG 3.23Å; K240-Q244 WeakPolarHBondContact O-CG 3.33Å; K240-Q244 PolarHBondContact O-N 2.93Å
241	K	78.3	Confident	73.3	Confident	118 Å²	118	101 Å²	101	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-76.2	-42.2	174	-76.3	-60.2	-173.6	-171.9	0	113.5	L237 G238 W239 Q244 G245	L237-K241 PolarHBondContact O-N 3.39Å; L237-K241 VanDerWaalsContact O-N 3.1Å; G238-K241 CarbonylContact O-C 3.56Å; G238-K241 WeakPolarHBondContact O-CA 3.3Å; G238-K241 WeakPolarHBondContact O-CB 3.35Å; G238-K241 PolarHBondContact O-N 3Å; W239-K241 VanDerWaalsContact C-N 3.29Å; W239-K241 PolarHBondContact O-N 2.87Å; K241-Q244 PolarHBondContact O-N 3.41Å; K241-G245 PolarHBondContact O-N 2.88Å
242	L	73.5	Confident	71.1	Confident	106 Å²	106	101.6 Å²	101.6	56%	0.555	51%	0.51	S	S	*	.	H	α-helix	trans	-59.9	-48.2	175.6	-168.9	70.6	0	0	0	110.9	G238 W239 Q244 G245 M246	G238-L242 PolarHBondContact O-N 3.01Å; W239-L242 PolarHBondContact O-N 2.93Å; L242-Q244 VanDerWaalsContact C-N 3.33Å; L242-Q244 PolarHBondContact O-N 3.41Å; L242-G245 PolarHBondContact O-N 3.01Å; L242-G245 VanDerWaalsContact O-N 3.15Å; L242-M246 PolarHBondContact O-N 3.42Å
243	K	78.8	Confident	68.8	Low	141 Å²	141	103.6 Å²	103.6	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-63	-36.6	175.9	-171.8	169	-177.2	172.5	0	112.5	W239 T247	W239-K243 WeakPolarHBondContact O-CB 3.33Å; W239-K243 PolarHBondContact O-N 3.28Å; K243-T247 WeakPolarHBondContact O-CB 2.78Å; K243-T247 PolarHBondContact O-N 2.92Å; K243-T247 PolarHBondContact O-OG1 2.04Å
244	Q	70.8	Confident	66.8	Low	101 Å²	101	106.1 Å²	106.1	47%	0.472	54%	0.542	S	S	.	.	H	α-helix	trans	-64.7	-40.2	173.4	-80.7	175.8	-7.3	0	0	112.1	K240 K241 L242 T247 N248	K240-Q244 WeakPolarHBondContact O-CB 3.43Å; K240-Q244 VanDerWaalsContact O-CG 3.23Å; K240-Q244 WeakPolarHBondContact O-CG 3.33Å; K240-Q244 PolarHBondContact O-N 2.93Å; K241-Q244 PolarHBondContact O-N 3.41Å; L242-Q244 VanDerWaalsContact C-N 3.33Å; L242-Q244 PolarHBondContact O-N 3.41Å; Q244-T247 PolarHBondContact O-N 2.82Å; Q244-N248 VanDerWaalsContact O-CG 3.24Å; Q244-N248 PolarHBondContact O-N 3.15Å; Q244-N248 VanDerWaalsContact O-N 3.11Å; Q244-N248 PolarHBondContact O-OD1 3Å
245	G	67.9	Low	64.8	Low	38 Å²	38	112 Å²	112	39%	0.392	57%	0.568	S	S	.	*	H	α-helix	trans	-58.4	-57.7	173.5	0	0	0	0	0	112	K241 L242 T247 N248 E249	K241-G245 PolarHBondContact O-N 2.88Å; L242-G245 PolarHBondContact O-N 3.01Å; L242-G245 VanDerWaalsContact O-N 3.15Å; G245-T247 PolarHBondContact O-N 3.47Å; G245-T247 VanDerWaalsContact O-N 3.15Å; G245-N248 PolarHBondContact O-N 3.32Å; G245-E249 PolarHBondContact O-N 3.49Å
246	M	65.8	Low	62.8	Low	131 Å²	131	111.8 Å²	111.8	65%	0.645	58%	0.575	S	S	*	*	H	α-helix	trans	-59.7	-27.5	179.9	-64.9	176.8	72.5	0	0	114	L242	L242-M246 PolarHBondContact O-N 3.42Å
247	T	59	Low	60.9	Low	81 Å²	81	114 Å²	114	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-80.4	-32.2	177.4	-46.1	0	0	0	0	111.9	K243 Q244 G245 F250	K243-T247 WeakPolarHBondContact O-CB 2.78Å; K243-T247 PolarHBondContact O-N 2.92Å; K243-T247 PolarHBondContact O-OG1 2.04Å; Q244-T247 PolarHBondContact O-N 2.82Å; G245-T247 PolarHBondContact O-N 3.47Å; G245-T247 VanDerWaalsContact O-N 3.15Å; T247-F250 PolarHBondContact O-N 2.96Å
248	N	55.4	Low	58.7	Low	125 Å²	125	119.6 Å²	119.6	67%	0.668	62%	0.615	S	S	*	*	H	α-helix	trans	-75.7	-31.4	177.2	-70.8	-1.1	0	0	0	112.2	Q244 G245 F250	Q244-N248 VanDerWaalsContact O-CG 3.24Å; Q244-N248 PolarHBondContact O-N 3.15Å; Q244-N248 VanDerWaalsContact O-N 3.11Å; Q244-N248 PolarHBondContact O-OD1 3Å; G245-N248 PolarHBondContact O-N 3.32Å; N248-F250 PolarHBondContact O-N 3.37Å
249	E	52.4	Low	56.5	Low	177 Å²	177	128.5 Å²	128.5	83%	0.827	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-14.7	174.4	-159.4	168.5	105.9	0	0	112.5	G245	G245-E249 PolarHBondContact O-N 3.49Å
250	F	44.8	Very low	54.3	Low	176 Å²	176	125.2 Å²	125.2	77%	0.772	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	34	178.8	-137.6	-90	0	0	0	113.4	T247 N248 P252	T247-F250 PolarHBondContact O-N 2.96Å; N248-F250 PolarHBondContact O-N 3.37Å; F250-P252 VanDerWaalsContact C-CD 3.48Å; F250-P252 VanDerWaalsContact O-CD 3.27Å; F250-P252 WeakPolarHBondContact O-CD 3.24Å
251	V	43.2	Very low	52.2	Low	112 Å²	112	126.7 Å²	126.7	68%	0.679	65%	0.653	S	S	*	*			trans	-103.3	89	159.1	-177.2	0	0	0	0	107.8
252	P	43.4	Very low	50.2	Low	93 Å²	93	125 Å²	125	60%	0.604	66%	0.661	S	S	*	*			trans	-67.5	152.8	171	29.3	-34.6	0	0	0	110.7	F250 S254	F250-P252 VanDerWaalsContact C-CD 3.48Å; F250-P252 VanDerWaalsContact O-CD 3.27Å; F250-P252 WeakPolarHBondContact O-CD 3.24Å; P252-S254 PolarHBondContact O-N 2.89Å
253	D	40	Very low	48.5	Very low	134 Å²	134	129 Å²	129	72%	0.717	68%	0.677	S	S	*	*	S	Bend	trans	-68.4	44	-173.9	-69.1	-70.4	0	0	0	115.8	E255 L256	D253-E255 VanDerWaalsContact C-N 3.25Å; D253-E255 PolarHBondContact O-N 3Å; D253-L256 PolarHBondContact O-N 3.44Å
254	S	44.6	Very low	46.3	Very low	78 Å²	78	131.1 Å²	131.1	55%	0.545	69%	0.689	S	S	.	*	H	α-helix	trans	-69.5	-16.3	-176.4	-164	0	0	0	0	114.1	P252	P252-S254 PolarHBondContact O-N 2.89Å
255	E	44.1	Very low	44.7	Very low	179 Å²	179	131.6 Å²	131.6	84%	0.836	70%	0.701	S	S	*	*	H	α-helix	trans	-80.1	-22.7	176.5	-75.8	-153.1	100.7	0	0	113.9	D253	D253-E255 VanDerWaalsContact C-N 3.25Å; D253-E255 PolarHBondContact O-N 3Å
256	L	45.6	Very low	43.1	Very low	136 Å²	136	138.9 Å²	138.9	71%	0.712	73%	0.725	S	S	*	*	H	α-helix	trans	-76.7	-34	179	-76.8	173.3	0	0	0	112.4	D253	D253-L256 PolarHBondContact O-N 3.44Å
257	L	43.4	Very low	41.2	Very low	134 Å²	134	138.9 Å²	138.9	70%	0.702	74%	0.736	S	S	*	*	H	α-helix	trans	-76.4	-29.2	177.3	-108.3	166.1	0	0	0	113.2	R259 A260	L257-R259 PolarHBondContact O-N 2.93Å; L257-A260 PolarHBondContact O-N 3.2Å
258	Q	37.4	Very low	40	Very low	153 Å²	153	143.1 Å²	143.1	72%	0.715	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-22.3	179.3	-153.2	74.2	38.6	0	0	112.9
259	R	35.4	Very low	38.8	Very low	225 Å²	225	141.6 Å²	141.6	85%	0.849	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-5	-174.8	-143.7	-177.2	-164.2	109.6	2.2	114.8	L257	L257-R259 PolarHBondContact O-N 2.93Å
260	A	36.3	Very low	37.6	Very low	73 Å²	73	138.5 Å²	138.5	60%	0.603	76%	0.758	S	S	*	*	S	Bend	trans	-92.7	-17.7	-175.7	0	0	0	0	0	114.6	L257	L257-A260 PolarHBondContact O-N 3.2Å
261	N	35.1	Very low	37	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	76%	0.757	S	S	*	*	S	Bend	trans	-110.6	45.3	-172.4	-68.8	-11.3	0	0	0	112.3
262	A	37.7	Very low	36.3	Very low	83 Å²	83	135.1 Å²	135.1	69%	0.686	77%	0.766	S	S	*	*			trans	-138.2	31.9	-169.2	0	0	0	0	0	115.2
263	E	37.1	Very low	35.8	Very low	190 Å²	190	142 Å²	142	89%	0.888	78%	0.78	S	S	*	*			trans	-130.5	150.6	166.5	-70.5	-169.3	102.1	0	0	111.5
264	E	31.8	Very low	35.2	Very low	186 Å²	186	141.6 Å²	141.6	87%	0.869	78%	0.783	S	S	*	*			trans	72	153.6	176.7	-90.4	-144	89.2	0	0	118.8
265	P	38.1	Very low	34.4	Very low	111 Å²	111	144.2 Å²	144.2	72%	0.721	80%	0.795	S	S	*	*				-131.8	-170.6	-101	39.8	-21.7	0	0	0	117.9
266	Q	33.4	Very low	34.2	Very low	191 Å²	191	141.4 Å²	141.4	89%	0.893	79%	0.793	S	S	*	*			trans	-47.6	149.1	-167.8	-56.7	172.3	-5.7	0	0	119.3
267	C	26.2	Very low	33.6	Very low	131 Å²	131	140.2 Å²	140.2	89%	0.885	80%	0.796	S	S	*	*			trans	-155.1	167.8	140.9	-120.1	0	0	0	0	111.9
268	L	33.8	Very low	32.9	Very low	169 Å²	169	139.2 Å²	139.2	89%	0.885	80%	0.8	S	S	*	*			trans	-81.6	148.8	-171.6	-74	72.9	0	0	0	114
269	A	30.8	Very low	32.5	Very low	94 Å²	94	139.6 Å²	139.6	78%	0.777	81%	0.806	S	S	*	*				170.8	145.3	110.6	0	0	0	0	0	116.6
270	S	28	Very low	32.2	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	80%	0.799	S	S	*	*			trans	-9.3	120.6	162.8	54.3	0	0	0	0	123.5
271	A	31.3	Very low	31.8	Very low	92 Å²	92	140.8 Å²	140.8	76%	0.76	81%	0.812	S	S	*	*				28.2	131	125.3	0	0	0	0	0	123
272	S	28.3	Very low	33	Very low	125 Å²	125	138 Å²	138	87%	0.874	80%	0.802	S	S	*	*				-176.6	164.2	114.9	-84.8	0	0	0	0	114.4
273	R	32.6	Very low	33.7	Very low	237 Å²	237	139.1 Å²	139.1	89%	0.894	80%	0.802	S	S	*	*			trans	-82.3	159.4	169.3	-63.5	175.7	177.4	142.3	-2.4	110.9
274	T	28.2	Very low	33.6	Very low	127 Å²	127	136.7 Å²	136.7	78%	0.779	80%	0.795	S	S	*	*				173.6	152	113.9	-71.1	0	0	0	0	111.1
275	V	28.7	Very low	33.7	Very low	132 Å²	132	137 Å²	137	80%	0.8	79%	0.79	S	S	*	*			trans	-132.9	135.4	172.5	177.9	0	0	0	0	108.7
276	P	39.9	Very low	33.6	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	78%	0.784	S	S	*	*			trans	-142	172	131.8	30.6	-11.8	0	0	0	114.5
277	S	31.3	Very low	33.4	Very low	112 Å²	112	135.8 Å²	135.8	78%	0.783	78%	0.777	S	S	*	*			trans	-98.3	166.8	-167.8	-33.9	0	0	0	0	114.7
278	S	29.2	Very low	33.8	Very low	113 Å²	113	134.4 Å²	134.4	79%	0.79	76%	0.764	S	S	*	*				170.6	150.6	123.4	48.7	0	0	0	0	117.7
279	L	30.1	Very low	33.9	Very low	160 Å²	160	132.5 Å²	132.5	84%	0.838	76%	0.76	S	S	*	*			trans	37.6	115.3	145.5	-91.4	66.5	0	0	0	125.9
280	S	28.5	Very low	34.2	Very low	99 Å²	99	132.7 Å²	132.7	69%	0.692	76%	0.761	S	S	*	*				56.2	108.9	118.8	68.6	0	0	0	0	126
281	Y	27.7	Very low	34.2	Very low	224 Å²	224	130.8 Å²	130.8	88%	0.878	76%	0.759	S	S	*	*				70.2	176.8	123.5	-130.4	-125	0	0	0	121
282	P	61.3	Low	34.2	Very low	90 Å²	90	132.9 Å²	132.9	58%	0.584	77%	0.768	S	S	*	*				-106.7	-165.6	-88.1	43.3	-30.9	0	0	0	114.1
283	P	51.4	Low	34.3	Very low	107 Å²	107	130.6 Å²	130.6	70%	0.695	76%	0.764	S	S	*	*				-158.6	152.8	96.7	39.9	-20.1	0	0	0	120.2
284	N	35.2	Very low	34.3	Very low	140 Å²	140	123.7 Å²	123.7	75%	0.749	76%	0.758	S	S	*	*			trans	57.3	154.5	138.9	-62.3	-15.5	0	0	0	122.4
285	Y	33.7	Very low	34.4	Very low	191 Å²	191	127.3 Å²	127.3	75%	0.749	76%	0.763	S	S	*	*			cis	-151.9	137.9	3.8	-136.6	-140.9	0	0	0	109.2
286	I	35.5	Very low	34.6	Very low	116 Å²	116	128.6 Å²	128.6	60%	0.595	77%	0.765	S	S	*	*				51.2	126.3	99.2	-53.6	-63.4	0	0	0	114
287	H	30.8	Very low	35.5	Very low	162 Å²	162	128.2 Å²	128.2	75%	0.75	76%	0.762	S	S	*	*			cis	-146	158	47.7	-143.7	-106.4	0	0	0	108.7
288	V	33.6	Very low	36.8	Very low	102 Å²	102	128.2 Å²	128.2	62%	0.618	76%	0.759	S	S	*	*			cis	76.7	133.3	32.1	174.6	0	0	0	0	111.1
289	T	36.8	Very low	36.9	Very low	129 Å²	129	129.4 Å²	129.4	79%	0.791	76%	0.762	S	S	*	*			cis	-146.1	-170	-5.8	-4.4	0	0	0	0	106.8
290	A	35.3	Very low	37	Very low	98 Å²	98	133.1 Å²	133.1	81%	0.81	77%	0.765	S	S	*	*			cis	-164.4	177.1	-6.3	0	0	0	0	0	106.3
291	G	29.8	Very low	38	Very low	71 Å²	71	134.1 Å²	134.1	73%	0.732	77%	0.769	S	S	*	*			cis	178.8	147	-7.2	0	0	0	0	0	112.7
292	S	30.6	Very low	38.2	Very low	136 Å²	136	127.1 Å²	127.1	95%	0.951	76%	0.757	S	S	*	*			trans	9	144.3	159.1	-48.5	0	0	0	0	123.2
293	G	30.6	Very low	36.7	Very low	76 Å²	76	128.9 Å²	128.9	78%	0.784	77%	0.766	S	S	*	*			trans	-156.7	-35.4	176.1	0	0	0	0	0	122.1
294	A	32.4	Very low	35.6	Very low	93 Å²	93	131.8 Å²	131.8	77%	0.769	77%	0.773	S	S	*	*			trans	65.3	174	169.7	0	0	0	0	0	121.3
295	F	30.5	Very low	35.3	Very low	202 Å²	202	131.3 Å²	131.3	89%	0.886	78%	0.775	S	S	*	*			trans	79.4	149.5	169.7	-71.2	-80.7	0	0	0	122.5
296	L	32.4	Very low	35.1	Very low	159 Å²	159	127.6 Å²	127.6	83%	0.832	78%	0.776	S	S	*	*			trans	-136.4	-174.4	-178	-64.8	169.8	0	0	0	107.4
297	P	58.1	Low	34.7	Very low	113 Å²	113	126.4 Å²	126.4	73%	0.734	78%	0.784	S	S	*	*				-114.2	-141.8	-74	41	-24.3	0	0	0	107.5
298	P	59.7	Low	34.8	Very low	111 Å²	111	123.5 Å²	123.5	72%	0.721	79%	0.788	S	S	*	*			cis	-129.7	-177.2	-21.4	40.4	-23.7	0	0	0	114.1
299	V	30.1	Very low	34.5	Very low	138 Å²	138	126.9 Å²	126.9	84%	0.836	80%	0.797	S	S	*	*			trans	175.2	158.5	131.2	150.2	0	0	0	0	110.4
300	R	33.4	Very low	33.9	Very low	239 Å²	239	130.9 Å²	130.9	90%	0.902	80%	0.804	S	S	*	*			trans	-141.5	175.9	179.7	-93.6	-176.1	171.2	-176.2	-2.2	107.9
301	P	50.2	Low	33.5	Very low	119 Å²	119	134.5 Å²	134.5	77%	0.773	80%	0.801	S	S	*	*			cis	-136.7	-176.6	7.9	40.8	-22.3	0	0	0	116
302	A	30.8	Very low	33.2	Very low	78 Å²	78	139.9 Å²	139.9	65%	0.645	81%	0.81	S	S	*	*				146.2	129.4	118.3	0	0	0	0	0	116.8
303	T	29.1	Very low	32.9	Very low	126 Å²	126	135.7 Å²	135.7	77%	0.773	79%	0.788	S	S	*	*			trans	58.3	147	146	51.3	0	0	0	0	121
304	M	29.6	Very low	32.6	Very low	169 Å²	169	139.7 Å²	139.7	83%	0.833	79%	0.791	S	S	*	*			cis	-164.8	178.4	1.3	-130.2	-177.6	-169.3	0	0	112.5
305	V	28.3	Very low	32.2	Very low	130 Å²	130	143.6 Å²	143.6	79%	0.788	80%	0.799	S	S	*	*			trans	73.4	119.8	165.8	174.4	0	0	0	0	116.3
306	S	28.9	Very low	31.9	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	79%	0.79	S	S	*	*				77	142.9	66.8	-120.4	0	0	0	0	114.5
307	A	28.1	Very low	31.5	Very low	91 Å²	91	141 Å²	141	75%	0.752	79%	0.785	S	S	*	*			cis	-169.4	163.4	-18.3	0	0	0	0	0	109.6
308	A	32	Very low	29.8	Very low	101 Å²	101	144.4 Å²	144.4	84%	0.835	79%	0.791	S	S	*	*			trans	-169	135.5	155.4	0	0	0	0	0	112.5
309	E	28	Very low	28.1	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.813	80%	0.795	S	S	*	*			trans	-93.5	168.4	161.7	-66.1	170.9	79.9	0	0	110.2
310	F	24.9	Very low	27.8	Very low	213 Å²	213	145.2 Å²	145.2	93%	0.934	79%	0.787	S	S	*	*				-160.4	165.9	113.8	-123.6	-90.5	0	0	0	112
311	K	25.3	Very low	27.3	Very low	174 Å²	174	140.6 Å²	140.6	76%	0.757	78%	0.779	S	S	*	*			trans	-140.2	146.1	-161.4	173.9	-171.5	178.6	-173.8	0	110.2
312	M	25.1	Very low	25.9	Very low	184 Å²	184	142.3 Å²	142.3	91%	0.906	78%	0.777	S	S	*	*			trans	-153.2	151.5	161.1	-160.7	58.6	-162.1	0	0	111.7
313	G	23.5	Very low	25.5	Very low	48 Å²	48	146 Å²	146	50%	0.495	78%	0.78	S	S	.	*			trans	-170.3	-179.1	177.3	0	0	0	0	0	112.9
314	D	23.7	Very low	25.2	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	78%	0.779	S	S	*	*			trans	65.1	129.5	171.5	-59	-29.5	0	0	0	120.5
315	L	24.1	Very low	24.9	Very low	175 Å²	175	142.8 Å²	142.8	92%	0.916	78%	0.78	S	S	*	*				-149	137.3	128.6	-114.9	174.2	0	0	0	111.3
316	Q	24.4	Very low	24.8	Very low	153 Å²	153	142.3 Å²	142.3	72%	0.715	78%	0.782	S	S	*	*			trans	-78	172.4	175.5	-86.9	167.3	-87.9	0	0	111.5
317	Q	24	Very low	25.2	Very low	152 Å²	152	142.9 Å²	142.9	71%	0.71	78%	0.783	S	S	*	*			cis	-174.1	-178.2	-9.5	162.9	168.7	-8.1	0	0	108.1
318	E	23.3	Very low	25.1	Very low	185 Å²	185	144 Å²	144	86%	0.864	79%	0.786	S	S	*	*			trans	129.6	168.4	138.7	-131.2	175.3	142.5	0	0	116.8
319	E	24.1	Very low	24.9	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	78%	0.784	S	S	*	*			trans	-145.2	157	-146.9	-162.7	-173.5	129.3	0	0	113.4
320	S	22.4	Very low	24.8	Very low	95 Å²	95	152.3 Å²	152.3	66%	0.664	79%	0.79	S	S	*	*			trans	91.3	149.2	153.1	86.9	0	0	0	0	121.8
321	L	23.5	Very low	25	Very low	141 Å²	141	151.9 Å²	151.9	74%	0.738	78%	0.783	S	S	*	*			trans	72.8	112.3	151.1	-70.4	163.5	0	0	0	124.1
322	Q	22.1	Very low	25.4	Very low	156 Å²	156	151 Å²	151	73%	0.729	79%	0.785	S	S	*	*				69.2	109.5	129.9	-84.8	178.3	-28.4	0	0	124.2
323	Q	22.3	Very low	25.6	Very low	155 Å²	155	147.1 Å²	147.1	72%	0.724	78%	0.776	S	S	*	*				106.5	118.1	106.5	-166.1	156.2	-14	0	0	121.8
324	S	21.6	Very low	26.6	Very low	107 Å²	107	152 Å²	152	75%	0.748	79%	0.791	S	S	*	*			trans	61.9	120.6	150	65.6	0	0	0	0	122.7
325	S	22.9	Very low	27.4	Very low	120 Å²	120	150.8 Å²	150.8	84%	0.839	78%	0.784	S	S	*	*				-160.7	130.9	121.3	58	0	0	0	0	113
326	S	25.9	Very low	28.3	Very low	120 Å²	120	150.8 Å²	150.8	84%	0.839	78%	0.78	S	S	*	*			trans	-144.3	136.6	165	-68.2	0	0	0	0	107.2
327	P	37.4	Very low	29	Very low	125 Å²	125	153.6 Å²	153.6	81%	0.812	78%	0.784	S	S	*	*				-141.8	168.8	98.4	38.8	-22.8	0	0	0	111.8
328	S	26.6	Very low	30.1	Very low	115 Å²	115	151.9 Å²	151.9	80%	0.804	78%	0.778	S	S	*	*			cis	-151.8	165.9	45.7	-78.1	0	0	0	0	114.9
329	R	26.9	Very low	31.3	Very low	212 Å²	212	146.2 Å²	146.2	80%	0.8	76%	0.763	S	S	*	*			trans	-87.8	153	-175.1	-54	169.8	-179	146.9	-2.2	112.6
330	Y	26.9	Very low	32.5	Very low	237 Å²	237	142.1 Å²	142.1	93%	0.929	75%	0.75	S	S	*	*				-140.1	128.4	129.6	-93.7	-81.6	0	0	0	109.7
331	Y	29.5	Very low	33.8	Very low	203 Å²	203	144.3 Å²	144.3	80%	0.796	75%	0.75	S	S	*	*			trans	-80.6	164	158.6	-84.7	-116.9	0	0	0	107.5
332	I	33.5	Very low	35.2	Very low	156 Å²	156	143.3 Å²	143.3	80%	0.8	74%	0.741	S	S	*	*			cis	-151	150.1	40.3	-69.7	173.7	0	0	0	105.1
333	S	29.7	Very low	36.4	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	74%	0.735	S	S	*	*				-162.9	158.1	54.1	-154.6	0	0	0	0	115.2
334	N	43.9	Very low	37.6	Very low	151 Å²	151	143.3 Å²	143.3	81%	0.807	74%	0.737	S	S	*	*			trans	-88.1	136.8	163.9	-78.3	-51.5	0	0	0	110.6
335	N	40.1	Very low	39	Very low	133 Å²	133	141 Å²	141	71%	0.711	72%	0.724	S	S	*	*			trans	-159.3	-24.6	158.8	-109.8	-21.3	0	0	0	114.7	R337	N335-R337 PolarHBondContact O-N 3.27Å
336	H	43	Very low	40.8	Very low	176 Å²	176	139.7 Å²	139.7	82%	0.815	71%	0.708	S	S	*	*	H	α-helix	trans	-75.5	-12.9	-171.8	-102.3	-69	0	0	0	117	T340	H336-T340 PolarHBondContact O-OG1 3.38Å
337	R	39.8	Very low	42.4	Very low	212 Å²	212	138.6 Å²	138.6	80%	0.8	69%	0.692	S	S	*	*	H	α-helix	trans	-89.6	-22.3	-172.5	-171.4	170.7	171.4	177.7	-3.4	114.7	N335 T340	N335-R337 PolarHBondContact O-N 3.27Å; R337-T340 PolarHBondContact O-OG1 3.43Å
338	L	46.5	Very low	43.2	Very low	115 Å²	115	134.9 Å²	134.9	60%	0.602	67%	0.672	S	S	*	*	H	α-helix	trans	-73.8	-44.5	175.2	-86	154.7	0	0	0	111.4	T340 Q341 Q342	L338-T340 VanDerWaalsContact C-N 3.27Å; L338-T340 PolarHBondContact O-N 3.19Å; L338-Q341 PolarHBondContact O-N 3.33Å; L338-Q342 PolarHBondContact O-N 3.06Å
339	A	49	Very low	44.4	Very low	66 Å²	66	133.1 Å²	133.1	55%	0.545	66%	0.656	S	S	.	*	H	α-helix	trans	-59.4	-33.4	-178.3	0	0	0	0	0	113.7
340	T	49.1	Very low	45.7	Very low	86 Å²	86	128.8 Å²	128.8	53%	0.528	65%	0.645	S	S	.	*	H	α-helix	trans	-71.1	-39.5	173.7	19.1	0	0	0	0	112.5	H336 R337 L338	H336-T340 PolarHBondContact O-OG1 3.38Å; R337-T340 PolarHBondContact O-OG1 3.43Å; L338-T340 VanDerWaalsContact C-N 3.27Å; L338-T340 PolarHBondContact O-N 3.19Å
341	Q	50.4	Low	46.8	Very low	142 Å²	142	124 Å²	124	66%	0.664	63%	0.631	S	S	*	*	H	α-helix	trans	-73.3	-36.3	-179.3	-166.2	169.9	4.2	0	0	112.4	L338 N343	L338-Q341 PolarHBondContact O-N 3.33Å; Q341-N343 VanDerWaalsContact C-N 3.29Å; Q341-N343 PolarHBondContact O-N 3.38Å
342	Q	51.6	Low	47.6	Very low	119 Å²	119	121.2 Å²	121.2	56%	0.556	63%	0.625	S	S	*	*	H	α-helix	trans	-58.4	-40.4	175.3	-138	93	16	0	0	112.1	L338 A345 N346	L338-Q342 PolarHBondContact O-N 3.06Å; Q342-A345 PolarHBondContact O-N 2.67Å; Q342-N346 PolarHBondContact O-N 2.83Å
343	N	47.1	Very low	48.1	Very low	113 Å²	113	118.8 Å²	118.8	60%	0.604	62%	0.618	S	S	*	*	H	α-helix	trans	-71.1	-35.3	-171.9	-152.7	0.7	0	0	0	112.6	Q341 L347	Q341-N343 VanDerWaalsContact C-N 3.29Å; Q341-N343 PolarHBondContact O-N 3.38Å; N343-L347 PolarHBondContact O-N 3.45Å
344	W	47.2	Very low	48.8	Very low	199 Å²	199	123.9 Å²	123.9	75%	0.754	62%	0.622	S	S	*	*	H	α-helix	trans	-67.1	-34.2	174.6	-81.7	101	0	0	0	113.2	A348	W344-A348 PolarHBondContact O-N 2.7Å
345	A	52.1	Low	48.7	Very low	58 Å²	58	125.3 Å²	125.3	48%	0.479	62%	0.624	S	S	.	*	H	α-helix	trans	-65.5	-46	178.7	0	0	0	0	0	111.8	Q342 L347 A348 T349	Q342-A345 PolarHBondContact O-N 2.67Å; A345-L347 PolarHBondContact O-N 3.05Å; A345-A348 PolarHBondContact O-N 3.49Å; A345-T349 PolarHBondContact O-N 3.16Å; A345-T349 PolarHBondContact O-OG1 3.23Å
346	N	60.4	Low	48.9	Very low	93 Å²	93	127.5 Å²	127.5	50%	0.497	63%	0.631	S	S	.	*	H	α-helix	trans	-63	-43.2	-179.2	-64.9	-5.3	0	0	0	111.9	Q342 A348 T349 E350	Q342-N346 PolarHBondContact O-N 2.83Å; N346-A348 VanDerWaalsContact C-N 3.32Å; N346-A348 PolarHBondContact O-N 3.41Å; N346-T349 WeakPolarHBondContact CA-OG1 3.39Å; N346-T349 PolarHBondContact O-N 3.04Å; N346-T349 PolarHBondContact O-OG1 3.28Å; N346-E350 PolarHBondContact O-N 2.86Å; N346-E350 VanDerWaalsContact O-N 3.13Å
347	L	59.4	Low	48.8	Very low	96 Å²	96	121.6 Å²	121.6	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-64.7	-36.2	-178.7	-162.9	69.9	0	0	0	112.3	N343 A345 E350 Q351	N343-L347 PolarHBondContact O-N 3.45Å; A345-L347 PolarHBondContact O-N 3.05Å; L347-E350 PolarHBondContact O-N 2.99Å; L347-Q351 PolarHBondContact O-N 2.79Å
348	A	54.1	Low	48.3	Very low	48 Å²	48	116.9 Å²	116.9	40%	0.397	62%	0.618	S	S	.	*	H	α-helix	trans	-66	-38.9	174.6	0	0	0	0	0	112.4	W344 A345 N346 Q351 Q352	W344-A348 PolarHBondContact O-N 2.7Å; A345-A348 PolarHBondContact O-N 3.49Å; N346-A348 VanDerWaalsContact C-N 3.32Å; N346-A348 PolarHBondContact O-N 3.41Å; A348-Q351 PolarHBondContact O-N 2.85Å; A348-Q352 PolarHBondContact O-N 2.95Å; A348-Q352 VanDerWaalsContact O-N 3.16Å
349	T	52.1	Low	47.8	Very low	77 Å²	77	117.5 Å²	117.5	47%	0.472	63%	0.629	S	S	.	*	H	α-helix	trans	-68.7	-32.7	176.4	42.6	0	0	0	0	113.6	A345 N346 T353	A345-T349 PolarHBondContact O-N 3.16Å; A345-T349 PolarHBondContact O-OG1 3.23Å; N346-T349 WeakPolarHBondContact CA-OG1 3.39Å; N346-T349 PolarHBondContact O-N 3.04Å; N346-T349 PolarHBondContact O-OG1 3.28Å; T349-T353 WeakPolarHBondContact O-CB 3.34Å; T349-T353 PolarHBondContact O-N 2.93Å; T349-T353 VanDerWaalsContact O-N 3.09Å; T349-T353 PolarHBondContact O-OG1 2.84Å
350	E	54.2	Low	47.2	Very low	121 Å²	121	120 Å²	120	57%	0.565	64%	0.642	S	S	*	*	H	α-helix	trans	-68.1	-35.7	173.1	-76.2	-169	84.6	0	0	112.5	N346 L347 R354	N346-E350 PolarHBondContact O-N 2.86Å; N346-E350 VanDerWaalsContact O-N 3.13Å; L347-E350 PolarHBondContact O-N 2.99Å; E350-R354 PolarHBondContact O-N 2.84Å
351	Q	50	Low	46.6	Very low	137 Å²	137	122.1 Å²	122.1	64%	0.64	66%	0.658	S	S	*	*	H	α-helix	trans	-66	-48.9	174.8	-71.9	-174.1	-51.5	0	0	111.8	L347 A348 T353 R354 E355	L347-Q351 PolarHBondContact O-N 2.79Å; A348-Q351 PolarHBondContact O-N 2.85Å; Q351-T353 VanDerWaalsContact C-N 3.26Å; Q351-T353 PolarHBondContact O-N 3.16Å; Q351-R354 PolarHBondContact O-N 3.16Å; Q351-R354 VanDerWaalsContact O-N 3.07Å; Q351-E355 PolarHBondContact O-N 3.49Å
352	Q	46.3	Very low	45.7	Very low	144 Å²	144	120.7 Å²	120.7	67%	0.673	66%	0.663	S	S	*	*	H	α-helix	trans	-61.8	-34.2	178	-72.2	-172.6	-28.3	0	0	112.8	A348 R354 E355 M356	A348-Q352 PolarHBondContact O-N 2.95Å; A348-Q352 VanDerWaalsContact O-N 3.16Å; Q352-R354 VanDerWaalsContact C-N 3.27Å; Q352-R354 PolarHBondContact O-N 3.47Å; Q352-E355 PolarHBondContact O-N 3.17Å; Q352-M356 PolarHBondContact O-N 3.37Å
353	T	44.5	Very low	44.8	Very low	106 Å²	106	120.6 Å²	120.6	65%	0.65	68%	0.676	S	S	*	*	H	α-helix	trans	-72.3	-21.1	178.2	-55.9	0	0	0	0	112.4	T349 Q351	T349-T353 WeakPolarHBondContact O-CB 3.34Å; T349-T353 PolarHBondContact O-N 2.93Å; T349-T353 VanDerWaalsContact O-N 3.09Å; T349-T353 PolarHBondContact O-OG1 2.84Å; Q351-T353 VanDerWaalsContact C-N 3.26Å; Q351-T353 PolarHBondContact O-N 3.16Å
354	R	44.1	Very low	44	Very low	210 Å²	210	120.8 Å²	120.8	79%	0.792	69%	0.686	S	S	*	*	H	α-helix	trans	-82.9	-29.7	174	-78.8	-173.9	171.8	-159.3	-2.5	114.1	E350 Q351 Q352	E350-R354 PolarHBondContact O-N 2.84Å; Q351-R354 PolarHBondContact O-N 3.16Å; Q351-R354 VanDerWaalsContact O-N 3.07Å; Q352-R354 VanDerWaalsContact C-N 3.27Å; Q352-R354 PolarHBondContact O-N 3.47Å
355	E	41.8	Very low	43.1	Very low	181 Å²	181	116.3 Å²	116.3	85%	0.846	69%	0.685	S	S	*	*	H	α-helix	trans	-80.2	-25.3	176.7	-64.6	-161.5	139.5	0	0	113.2	Q351 Q352 G357	Q351-E355 PolarHBondContact O-N 3.49Å; Q352-E355 PolarHBondContact O-N 3.17Å; E355-G357 PolarHBondContact O-N 3.25Å
356	M	43.8	Very low	42.1	Very low	178 Å²	178	119 Å²	119	88%	0.877	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	4.6	179.8	-138.2	75.4	-176.9	0	0	114.6	Q352	Q352-M356 PolarHBondContact O-N 3.37Å
357	G	41.6	Very low	40.6	Very low	53 Å²	53	118.9 Å²	118.9	55%	0.546	71%	0.712	S	S	.	*			trans	-117.1	42.9	-157.4	0	0	0	0	0	117	E355	E355-G357 PolarHBondContact O-N 3.25Å
358	S	30	Very low	39.2	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	73%	0.729	S	S	*	*			trans	-155.2	108	172	-74.6	0	0	0	0	113.9
359	P	35.7	Very low	38	Very low	128 Å²	128	126.6 Å²	126.6	83%	0.831	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-85.9	134	169.7	33.1	-31.7	0	0	0	111.9
360	S	36.9	Very low	37	Very low	119 Å²	119	132.4 Å²	132.4	83%	0.832	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-79.8	139.6	176.8	-39.4	0	0	0	0	112.3
361	P	35.7	Very low	35.8	Very low	131 Å²	131	134.1 Å²	134.1	85%	0.851	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-102.7	118	168.1	34	-27.3	0	0	0	112.2
362	S	30.7	Very low	34.9	Very low	112 Å²	112	136 Å²	136	78%	0.783	79%	0.788	S	S	*	*			trans	-116.4	99.4	168.2	60.9	0	0	0	0	111.3
363	S	32.5	Very low	34.2	Very low	117 Å²	117	136 Å²	136	82%	0.818	79%	0.788	S	S	*	*			trans	35.7	107.6	153.5	61.1	0	0	0	0	120.2
364	S	30.3	Very low	33.6	Very low	116 Å²	116	137.5 Å²	137.5	81%	0.811	79%	0.788	S	S	*	*			trans	-154.5	122.8	141.8	63.9	0	0	0	0	113.1
365	S	29.3	Very low	33	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	78%	0.784	S	S	*	*			trans	-25.5	140.9	166.6	51.1	0	0	0	0	119.4
366	S	30.4	Very low	32.4	Very low	114 Å²	114	131.7 Å²	131.7	80%	0.797	78%	0.778	S	S	*	*				-176.5	145.2	104.4	-78.3	0	0	0	0	115
367	A	29.4	Very low	31.7	Very low	91 Å²	91	130.4 Å²	130.4	75%	0.752	78%	0.775	S	S	*	*			trans	39.7	114.7	153.3	0	0	0	0	0	121.2
368	N	29.9	Very low	31.1	Very low	159 Å²	159	131.8 Å²	131.8	85%	0.85	79%	0.789	S	S	*	*				-156.5	166.8	99.4	-120.7	-33.2	0	0	0	113
369	N	29.3	Very low	31	Very low	146 Å²	146	129.9 Å²	129.9	78%	0.781	79%	0.786	S	S	*	*			trans	-82.4	150.2	-173.2	-59.3	-61.3	0	0	0	113.7
370	E	31.3	Very low	30.7	Very low	200 Å²	200	129.7 Å²	129.7	94%	0.935	79%	0.789	S	S	*	*				-154.8	160.7	123.9	-116.9	179.5	157.6	0	0	112
371	N	29.2	Very low	30.5	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	79%	0.787	S	S	*	*			trans	-99.9	138.9	-164	-85.1	-60.7	0	0	0	114.3
372	K	30.9	Very low	31.5	Very low	177 Å²	177	129.1 Å²	129.1	77%	0.77	79%	0.785	S	S	*	*				-177.3	137.5	114.2	-103.4	-179.5	174.2	-179.2	0	115.4
373	Q	30.9	Very low	31.4	Very low	143 Å²	143	127.9 Å²	127.9	67%	0.668	78%	0.781	S	S	*	*			trans	32.8	136.5	132.7	-64	169.9	-56.2	0	0	119.7
374	Q	31.6	Very low	31.4	Very low	138 Å²	138	128.7 Å²	128.7	65%	0.645	78%	0.781	S	S	*	*			cis	-163.3	157.8	7.5	-127.8	167.2	-66.4	0	0	113
375	Q	31.7	Very low	31.4	Very low	153 Å²	153	129.2 Å²	129.2	72%	0.715	78%	0.775	S	S	*	*			trans	15.9	144.4	140.8	-67.8	168.6	-33.3	0	0	120.1
376	T	29.8	Very low	31.5	Very low	116 Å²	116	134.9 Å²	134.9	71%	0.712	78%	0.78	S	S	*	*			cis	-164.5	176.6	16	-2.6	0	0	0	0	113.3
377	N	29.9	Very low	31.5	Very low	152 Å²	152	133.5 Å²	133.5	81%	0.813	78%	0.784	S	S	*	*			trans	-26.7	156.8	159.2	-42.6	-13.7	0	0	0	116.6
378	G	28.5	Very low	31.5	Very low	82 Å²	82	133.2 Å²	133.2	85%	0.845	79%	0.79	S	S	*	*			cis	121.1	129.3	1.9	0	0	0	0	0	113.7
379	G	27.7	Very low	31.5	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	79%	0.793	S	S	*	*			trans	130.4	136	162.7	0	0	0	0	0	119.2
380	S	29.8	Very low	31.6	Very low	125 Å²	125	126.8 Å²	126.8	87%	0.874	80%	0.796	S	S	*	*			trans	58.9	125.1	148.1	50.3	0	0	0	0	124.1
381	S	31.4	Very low	31.6	Very low	113 Å²	113	121.1 Å²	121.1	79%	0.79	79%	0.791	S	S	*	*			trans	-88	-160.4	155	-30.9	0	0	0	0	110.7
382	P	57.5	Low	31.7	Very low	125 Å²	125	120.4 Å²	120.4	81%	0.812	79%	0.787	S	S	*	*			cis	-135.6	177.2	-20.7	39.6	-21.9	0	0	0	115.6
383	A	28.8	Very low	31.7	Very low	85 Å²	85	117.6 Å²	117.6	70%	0.702	78%	0.781	S	S	*	*			trans	-168.5	138.8	160.9	0	0	0	0	0	109.1
384	T	31.4	Very low	31.8	Very low	135 Å²	135	116.3 Å²	116.3	83%	0.828	78%	0.783	S	S	*	*			cis	74.4	131.4	45.4	64.5	0	0	0	0	114.5
385	D	30	Very low	31.8	Very low	127 Å²	127	117 Å²	117	68%	0.679	79%	0.79	S	S	*	*			cis	-161.9	168.5	0.4	-156.1	7.6	0	0	0	114.3
386	R	32.8	Very low	31.8	Very low	224 Å²	224	119.3 Å²	119.3	85%	0.845	80%	0.801	S	S	*	*			trans	38.8	137.9	151.3	-80.5	164.2	-163.1	-132.4	-7.4	126.8
387	G	29.2	Very low	31.8	Very low	85 Å²	85	120.6 Å²	120.6	88%	0.876	80%	0.799	S	S	*	*			trans	106.9	148.8	136.4	0	0	0	0	0	118.1
388	G	29.8	Very low	31.8	Very low	85 Å²	85	120.1 Å²	120.1	88%	0.876	80%	0.801	S	S	*	*			cis	162.6	119.9	-13.3	0	0	0	0	0	115.7
389	G	30.3	Very low	31.9	Very low	89 Å²	89	123.4 Å²	123.4	92%	0.918	79%	0.794	S	S	*	*			trans	95.7	154	172.7	0	0	0	0	0	116.1
390	G	31.1	Very low	32	Very low	82 Å²	82	131 Å²	131	85%	0.845	80%	0.801	S	S	*	*			cis	176.3	157.4	-7.8	0	0	0	0	0	113.4
391	G	31.9	Very low	32	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	79%	0.793	S	S	*	*			trans	92	151.7	-179.7	0	0	0	0	0	115.1
392	D	31.2	Very low	32.1	Very low	141 Å²	141	132 Å²	132	75%	0.754	79%	0.79	S	S	*	*			cis	-154.7	154.3	-2.1	-170.5	38.8	0	0	0	113.6
393	N	31.4	Very low	31	Very low	118 Å²	118	131.5 Å²	131.5	63%	0.631	79%	0.785	S	S	*	*			trans	39.8	124	161.6	-78.4	-45.1	0	0	0	126.2
394	T	31.6	Very low	31.3	Very low	115 Å²	115	133.6 Å²	133.6	71%	0.706	79%	0.789	S	S	*	*			trans	44.6	117	139	58.8	0	0	0	0	121.4
395	L	31.3	Very low	31.5	Very low	152 Å²	152	133.3 Å²	133.3	80%	0.796	79%	0.787	S	S	*	*				80	96.4	64.6	-80.5	169.1	0	0	0	116.5
396	E	31.4	Very low	31.8	Very low	202 Å²	202	136.1 Å²	136.1	94%	0.944	80%	0.796	S	S	*	*				-132	146	128.7	-85.2	-157.9	129.8	0	0	108.1
397	E	29.9	Very low	32.2	Very low	144 Å²	144	133.8 Å²	133.8	67%	0.673	80%	0.797	S	S	*	*			trans	-118.4	122.8	-172.7	-169.9	-166.9	143.1	0	0	111.2	H399	E397-H399 IonicContact OE1-CE1 3.38Å; E397-H399 PolarHBondContact OE1-CE1 3.34Å; E397-H399 IonicContact OE1-ND1 3.11Å; E397-H399 PolarHBondContact OE1-ND1 2.84Å
398	V	31.8	Very low	32.6	Very low	142 Å²	142	138.9 Å²	138.9	86%	0.861	80%	0.797	S	S	*	*			trans	-117.6	109.1	167.2	179.6	0	0	0	0	108.9	R400	V398-R400 PolarHBondContact O-N 2.69Å
399	H	30.5	Very low	33.3	Very low	151 Å²	151	142.3 Å²	142.3	70%	0.699	79%	0.791	S	S	*	*			trans	-57.3	127.2	-177.8	-124.1	61.9	0	0	0	111.6	E397	E397-H399 IonicContact OE1-CE1 3.38Å; E397-H399 PolarHBondContact OE1-CE1 3.34Å; E397-H399 IonicContact OE1-ND1 3.11Å; E397-H399 PolarHBondContact OE1-ND1 2.84Å
400	R	28.5	Very low	33.7	Very low	230 Å²	230	143 Å²	143	87%	0.868	78%	0.779	S	S	*	*			trans	-117.1	82.1	178.7	-152.4	-179.9	-159.7	179.1	6.8	110.4	V398 I402	V398-R400 PolarHBondContact O-N 2.69Å; R400-I402 PolarHBondContact O-N 3.04Å; R400-I402 VanDerWaalsContact O-N 3.11Å
401	T	30.2	Very low	34.2	Very low	116 Å²	116	145.2 Å²	145.2	71%	0.712	78%	0.778	S	S	*	*			trans	-62.9	108.9	179.6	-50.1	0	0	0	0	110.9	T403	T401-T403 HydrophobicContact CG2-CG2 4.46Å
402	I	34.4	Very low	34.3	Very low	142 Å²	142	148.5 Å²	148.5	73%	0.728	78%	0.776	S	S	*	*			trans	-94.2	104.4	172	-60.4	177.2	0	0	0	108.1	R400 T404	R400-I402 PolarHBondContact O-N 3.04Å; R400-I402 VanDerWaalsContact O-N 3.11Å; I402-T404 PolarHBondContact O-N 3.41Å
403	T	34.3	Very low	34.4	Very low	116 Å²	116	150.3 Å²	150.3	71%	0.712	78%	0.782	S	S	*	*			trans	-78.4	99.6	170.2	49.1	0	0	0	0	110.1	T401 V405	T401-T403 HydrophobicContact CG2-CG2 4.46Å; T403-V405 PolarHBondContact O-N 3.25Å
404	T	35.3	Very low	34.6	Very low	129 Å²	129	149.7 Å²	149.7	79%	0.791	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-70.4	117.6	165.7	48.3	0	0	0	0	109.5	I402	I402-T404 PolarHBondContact O-N 3.41Å
405	V	34.3	Very low	34.6	Very low	128 Å²	128	150 Å²	150	78%	0.776	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.2	120.1	172.1	177.5	0	0	0	0	109	T403	T403-V405 PolarHBondContact O-N 3.25Å
406	E	37.5	Very low	34.8	Very low	186 Å²	186	149.3 Å²	149.3	87%	0.869	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-76	123.1	173.9	-172	168.8	-151.1	0	0	109.4
407	M	40.7	Very low	35	Very low	176 Å²	176	146.2 Å²	146.2	87%	0.867	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-92.1	128.2	176.2	-70.2	-145	-57	0	0	110.9
408	H	37	Very low	35.3	Very low	191 Å²	191	145.1 Å²	145.1	88%	0.884	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.3	137.6	178.6	-110.1	-87.3	0	0	0	112.8
409	E	45.2	Very low	35.4	Very low	158 Å²	158	148.9 Å²	148.9	74%	0.738	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.4	134.2	176.5	-168.2	177	133.7	0	0	111.9
410	P	39.3	Very low	35.6	Very low	104 Å²	104	153 Å²	153	68%	0.675	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.9	147.1	174.7	32.8	-34.3	0	0	0	112.1
411	P	39.8	Very low	35.7	Very low	127 Å²	127	149.5 Å²	149.5	83%	0.825	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.5	143.5	-169.6	28	-35.5	0	0	0	114.5
412	L	34.6	Very low	35.9	Very low	151 Å²	151	150.1 Å²	150.1	79%	0.791	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-65.7	134.1	-179.1	-64.3	166.8	0	0	0	113.2
413	M	34.2	Very low	35.8	Very low	178 Å²	178	154.6 Å²	154.6	88%	0.877	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-103.1	137.9	160.4	-79.9	-73.3	108.7	0	0	109.7
414	A	34	Very low	35.7	Very low	106 Å²	106	153.6 Å²	153.6	88%	0.876	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.4	144.3	-171.9	0	0	0	0	0	113.1
415	S	33.3	Very low	35.7	Very low	121 Å²	121	153.2 Å²	153.2	85%	0.846	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-94.4	141	-179.6	52.6	0	0	0	0	113
416	T	34.6	Very low	35.6	Very low	137 Å²	137	156.4 Å²	156.4	84%	0.84	83%	0.83	S	S	*	*			trans	-133.7	120.5	165.1	52.4	0	0	0	0	109.6
417	D	35.1	Very low	35.4	Very low	137 Å²	137	153.5 Å²	153.5	73%	0.733	83%	0.83	S	S	*	*			trans	-78.8	123.4	-170.1	174.9	14.3	0	0	0	113.4	R419	D417-R419 PolarHBondContact O-N 3.11Å; D417-R419 PolarHBondContact OD1-N 3.39Å
418	P	36.1	Very low	35.2	Very low	122 Å²	122	150 Å²	150	79%	0.792	82%	0.823	S	S	*	*			trans	-88.1	40.1	-176.8	37.7	-37.8	0	0	0	114.8
419	R	35.4	Very low	35.3	Very low	221 Å²	221	148.9 Å²	148.9	83%	0.834	82%	0.824	S	S	*	*			trans	-132.9	64	176.2	-75.4	-165.9	173.1	165	1.8	116.6	D417	D417-R419 PolarHBondContact O-N 3.11Å; D417-R419 PolarHBondContact OD1-N 3.39Å
420	R	34.7	Very low	34.9	Very low	236 Å²	236	147.9 Å²	147.9	89%	0.891	83%	0.828	S	S	*	*			trans	-151.4	160.1	154.3	-121.7	173.1	-170.3	-112.8	0.5	113.6
421	L	30.7	Very low	34.8	Very low	158 Å²	158	153.9 Å²	153.9	83%	0.827	84%	0.837	S	S	*	*			trans	74.1	62.2	171.1	-57.1	177.3	0	0	0	118.7	R423	L421-R423 PolarHBondContact O-N 2.81Å
422	S	33.5	Very low	34.6	Very low	128 Å²	128	152.4 Å²	152.4	90%	0.895	84%	0.836	S	S	*	*			trans	-75.8	99.1	153.5	-50.8	0	0	0	0	111
423	R	32.8	Very low	35	Very low	236 Å²	236	155.7 Å²	155.7	89%	0.891	84%	0.838	S	S	*	*			trans	-161.7	104.7	165.6	-138.3	174.6	-173.9	171	1.6	116.5	L421	L421-R423 PolarHBondContact O-N 2.81Å
424	A	32.2	Very low	35.3	Very low	96 Å²	96	153.7 Å²	153.7	79%	0.793	84%	0.838	S	S	*	*			trans	61.1	155.2	160.6	0	0	0	0	0	116.9
425	S	34.1	Very low	36	Very low	121 Å²	121	153.3 Å²	153.3	85%	0.846	83%	0.829	S	S	*	*			cis	-142.4	-175.2	22.4	-64.2	0	0	0	0	113.3
426	K	33.9	Very low	36.3	Very low	195 Å²	195	155 Å²	155	85%	0.848	83%	0.829	S	S	*	*			trans	-85	169.4	-174.9	-64.3	173.7	176.8	175.5	0	114
427	S	32.5	Very low	36.8	Very low	124 Å²	124	157.1 Å²	157.1	87%	0.867	83%	0.834	S	S	*	*			trans	80.6	148.4	166.4	85	0	0	0	0	115.7
428	S	37.2	Very low	37.1	Very low	102 Å²	102	155.2 Å²	155.2	71%	0.713	84%	0.837	S	S	*	*			cis	-144.4	163.3	3	64.6	0	0	0	0	112.4
429	N	37.9	Very low	37.2	Very low	169 Å²	169	160.1 Å²	160.1	90%	0.904	87%	0.865	S	S	*	*			trans	-81.1	127.1	170	-85.8	-37.1	0	0	0	110.6
430	V	36.7	Very low	37.2	Very low	136 Å²	136	157.1 Å²	157.1	82%	0.824	87%	0.866	S	S	*	*			trans	-131.9	131.2	156.4	-177.4	0	0	0	0	109.6
431	R	37.8	Very low	37.4	Very low	230 Å²	230	152.9 Å²	152.9	87%	0.868	87%	0.865	S	S	*	*			trans	-96.4	117.7	-179.4	172.7	179.9	-70	158.6	-2.6	109
432	A	36.1	Very low	37.8	Very low	97 Å²	97	152.7 Å²	152.7	80%	0.802	87%	0.867	S	S	*	*			trans	-59.8	143.8	172.3	0	0	0	0	0	111.2
433	R	42	Very low	38	Very low	219 Å²	219	154.1 Å²	154.1	83%	0.826	87%	0.865	S	S	*	*			trans	-110.1	146.6	171.4	-88.5	-177	167.6	173.7	-3.8	109.6	S435	R433-S435 PolarHBondContact O-N 3.41Å
434	P	40.5	Very low	38.3	Very low	136 Å²	136	149 Å²	149	88%	0.883	86%	0.864	S	S	*	*	S	Bend	trans	-85.3	96.3	178.1	32.9	-32.1	0	0	0	110.9
435	S	49	Very low	38.7	Very low	98 Å²	98	152.5 Å²	152.5	69%	0.685	87%	0.869	S	S	*	*			trans	-158.1	42	174.4	62.7	0	0	0	0	114.4	R433	R433-S435 PolarHBondContact O-N 3.41Å
436	D	39.6	Very low	39.1	Very low	158 Å²	158	154.8 Å²	154.8	85%	0.845	87%	0.87	S	S	*	*			trans	-125.6	88.3	172.5	-72.1	-61.1	0	0	0	110
437	L	45	Very low	39.5	Very low	180 Å²	180	151.7 Å²	151.7	94%	0.942	87%	0.872	S	S	*	*			trans	-145.1	81	170.8	-93	176.8	0	0	0	108.8
438	A	41.4	Very low	40.1	Very low	98 Å²	98	154 Å²	154	81%	0.81	87%	0.872	S	S	*	*			trans	-156	121.7	169.9	0	0	0	0	0	111.7
439	V	37.4	Very low	40.3	Very low	225 Å²	225	158.7 Å²	158.7	100%	1.364	89%	0.887	S	S	*	*			trans	107.2	0	175.1	-178.3	0	0	0	0	113.4

Retrieved 439 of 439 residues in 1032.6 ms (Link to these results)

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